A0A087Y342_POEFO Loading...

Transmembrane serine protease 9

AlphaFold DB , UniProt , Accession A0A087Y342, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 800 aa.

						>A0A087Y342_POEFO|A0A087Y342
ESKMDVRKDGSGGSWSPSPSNSGCHKGIVAAYIILFLIVGIFAGLAIAYLLEEPHDFLETVELKGLKYSPDLEDGNSGFSIILSSALKSKVKDIFTASSISKHYDGCSIIAFGSKHGDVMATLRLFFRVSKIQQYSDNFVGDLLRAGLSSVLHGKPLEVPGFGQISAVVLLGASGKSFYVIGDEMTARCPENAYTCENGECITKKNPACDFIPDCADASDEARCGKQLQSTSVCYSQPISNCGLRPAMGSRIVGGEDARQGELPWQVSLRYHWRHTCGASIINKRWIVSAAHCFEGANDPSEWTALVGAKLANGIEAESKTINIKSIIVNPEYDPMTSNNDMTVLELETPLTFNSYIQPVCIPPPSHVFEPGQSCIVSGWGALQQFSTHVPNTLQKALVKIIDSKACNQSSVYRGAITHKMMCAGFLQGKVDSCQGDSGGPLVCEGGPGRFFLAGVVSWGVGCAQVNRPGVYARVTKLRNFILKYTDPALVNDHVKLVPTIPAPLTNNPMTVILLCIPATNCSENFHCGSSLCISKVNPECDRIPDCPNEADEKNCDCGVRPALGVQRIIGGVTARRGEWPWIGSLQYQKQHRCGTTLIHNKWLLTAAHCFNSDSSPTEWAVSLGSVLRSGLGALVIPIQRVIVHPAFNGTNMDHDVALVELAVPAPVSYTIQPVCLPSPVHLFLENSECYITGWGSMKEGGSLTNLLQKAAVNIIDQEDCQLSYSNMLTPSMMCAGFMEGGRDTCLGDSGGPLTCRHHSGPWFIAGVTSWGHGCGRTGFPGVYTRVTSVRKWISTHLPF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	E	36	Very low	32	Very low	237 Å²	237	152.7 Å²	152.7	100%	1.107	80%	0.803	S	S	*	*				0	125.2	0	-75.4	155.2	131.6	0	0	108
2	S	32	Very low	31.8	Very low	105 Å²	105	146.9 Å²	146.9	73%	0.734	81%	0.808	S	S	*	*				58.4	130.2	92.3	121.7	0	0	0	0	110.4
3	K	32.2	Very low	31.7	Very low	164 Å²	164	141.5 Å²	141.5	71%	0.713	81%	0.806	S	S	*	*			cis	177.6	162.9	23.7	-134.2	178	176.3	-178.3	0	105.1
4	M	29.5	Very low	31.5	Very low	137 Å²	137	138.6 Å²	138.6	68%	0.675	80%	0.799	S	S	*	*			trans	44.6	144.2	136.7	-74.9	165.1	160.4	0	0	119.9
5	D	30.6	Very low	31.2	Very low	125 Å²	125	145.7 Å²	145.7	67%	0.668	81%	0.808	S	S	*	*			cis	-172.8	146.7	15	-110	-25.4	0	0	0	108.3
6	V	32.1	Very low	31.3	Very low	118 Å²	118	143.6 Å²	143.6	72%	0.715	81%	0.806	S	S	*	*			trans	47.7	120.8	132	-172	0	0	0	0	121.8
7	R	28.5	Very low	31.3	Very low	239 Å²	239	142.5 Å²	142.5	90%	0.902	81%	0.806	S	S	*	*				175.8	109.6	122.4	-95.5	174.8	-173.8	-170.7	1.3	108.7
8	K	34.6	Very low	31.6	Very low	193 Å²	193	140.8 Å²	140.8	84%	0.839	81%	0.805	S	S	*	*				51.9	108.2	78.6	-108.6	-170.6	-177	-178.1	0	115.2
9	D	31.1	Very low	32.3	Very low	166 Å²	166	140.1 Å²	140.1	89%	0.888	81%	0.806	S	S	*	*			trans	168.6	139.1	135.1	-79.5	-18.2	0	0	0	107
10	G	31.1	Very low	32.6	Very low	67 Å²	67	138.2 Å²	138.2	69%	0.691	80%	0.802	S	S	*	*			cis	-168.8	149	3.1	0	0	0	0	0	109
11	S	34.6	Very low	33.3	Very low	129 Å²	129	139.3 Å²	139.3	90%	0.902	81%	0.805	S	S	*	*			trans	6.3	130.4	158.6	54.5	0	0	0	0	122
12	G	30	Very low	33.8	Very low	83 Å²	83	131.8 Å²	131.8	86%	0.856	78%	0.778	S	S	*	*			trans	177.9	103.4	149.6	0	0	0	0	0	114.2
13	G	30.5	Very low	34.4	Very low	76 Å²	76	130 Å²	130	78%	0.784	78%	0.776	S	S	*	*			trans	106.6	86.6	152.5	0	0	0	0	0	119.6
14	S	28	Very low	35.3	Very low	102 Å²	102	126.5 Å²	126.5	71%	0.713	77%	0.771	S	S	*	*				26.4	124.7	115.2	176.1	0	0	0	0	117.5
15	W	27.7	Very low	36.5	Very low	245 Å²	245	126.3 Å²	126.3	93%	0.928	77%	0.768	S	S	*	*			cis	-153.4	144.3	25.6	-99.7	-1.6	0	0	0	110.9
16	S	32.2	Very low	37.6	Very low	112 Å²	112	128.2 Å²	128.2	78%	0.783	77%	0.771	S	S	*	*			trans	-82.1	151.7	169.8	-35.8	0	0	0	0	111.5
17	P	32.1	Very low	38.8	Very low	124 Å²	124	124.8 Å²	124.8	81%	0.805	76%	0.76	S	S	*	*			trans	-127.1	135.5	132.5	34.2	-24	0	0	0	111
18	S	36	Very low	40.5	Very low	112 Å²	112	117.3 Å²	117.3	78%	0.783	74%	0.737	S	S	*	*			trans	-144.6	152.7	158.8	-52.8	0	0	0	0	106.4
19	P	45.3	Very low	42	Very low	127 Å²	127	111.6 Å²	111.6	83%	0.825	72%	0.717	S	S	*	*			cis	-127.6	147	-15.8	33.4	-16.4	0	0	0	111.7
20	S	37.2	Very low	43.7	Very low	103 Å²	103	105.9 Å²	105.9	72%	0.72	69%	0.694	S	S	*	*			trans	-131.4	99.2	162.5	68.1	0	0	0	0	111.6	S22	S20-S22 PolarHBondContact O-N 3.21Å; S20-S22 PolarHBondContact O-OG 3.08Å
21	N	49.2	Very low	45.7	Very low	162 Å²	162	105.5 Å²	105.5	87%	0.866	68%	0.684	S	S	*	*				30.7	60.4	128.9	-142.2	15.9	0	0	0	118
22	S	44.8	Very low	47.6	Very low	79 Å²	79	106.3 Å²	106.3	55%	0.552	67%	0.668	S	S	*	*			trans	-128.9	6.6	178.5	62.6	0	0	0	0	115.4	S20	S20-S22 PolarHBondContact O-N 3.21Å; S20-S22 PolarHBondContact O-OG 3.08Å
23	G	46.3	Very low	49.7	Very low	66 Å²	66	107 Å²	107	68%	0.68	65%	0.651	S	S	*	*	H	α-helix	trans	-79.2	-36.6	175.6	0	0	0	0	0	113.9
24	C	50.5	Low	51.9	Low	91 Å²	91	108.1 Å²	108.1	62%	0.615	64%	0.638	S	S	*	*	H	α-helix	trans	-76.8	-30.6	-176.2	-143	0	0	0	0	112.3	I28	C24-I28 WeakPolarHBondContact O-CD1 3.32Å; C24-I28 VanDerWaalsContact O-CG1 3.3Å; C24-I28 WeakPolarHBondContact O-CG1 3.25Å; C24-I28 PolarHBondContact O-N 3.18Å
25	H	53.5	Low	54.3	Low	134 Å²	134	108 Å²	108	62%	0.62	63%	0.629	S	S	*	*	H	α-helix	trans	-73.8	-33	-175.1	-138.6	-14.1	0	0	0	113.1	V29	H25-V29 WeakPolarHBondContact O-CB 3.27Å; H25-V29 WeakPolarHBondContact O-CG2 3.45Å; H25-V29 PolarHBondContact O-N 3.02Å
26	K	53.9	Low	56.6	Low	164 Å²	164	104.1 Å²	104.1	71%	0.713	62%	0.619	S	S	*	*	H	α-helix	trans	-70.1	-37	178.1	-73.3	-175.9	177.8	179.6	0	112.8	A30	K26-A30 WeakPolarHBondContact O-CB 3.5Å; K26-A30 PolarHBondContact O-N 3.05Å; K26-A30 VanDerWaalsContact O-N 3.08Å
27	G	57.6	Low	58.7	Low	47 Å²	47	104 Å²	104	49%	0.485	61%	0.609	S	S	.	*	H	α-helix	trans	-68.3	-40.8	175.6	0	0	0	0	0	112.6	A30 A31	G27-A30 PolarHBondContact O-N 2.98Å; G27-A31 WeakPolarHBondContact O-CB 3.26Å; G27-A31 PolarHBondContact O-N 3.1Å
28	I	64.4	Low	60.9	Low	82 Å²	82	102 Å²	102	42%	0.421	59%	0.591	S	S	.	*	H	α-helix	trans	-66.2	-44.7	177.5	-66.6	168	0	0	0	110.8	C24 A30 A31 Y32	C24-I28 WeakPolarHBondContact O-CD1 3.32Å; C24-I28 VanDerWaalsContact O-CG1 3.3Å; C24-I28 WeakPolarHBondContact O-CG1 3.25Å; C24-I28 PolarHBondContact O-N 3.18Å; I28-A30 PolarHBondContact O-N 3.16Å; I28-A31 PolarHBondContact O-N 3.06Å; I28-Y32 HydrophobicContact CG2-CD2 3.68Å; I28-Y32 HydrophobicContact CG2-CE2 3.64Å; I28-Y32 VanDerWaalsContact O-CD2 3.26Å; I28-Y32 WeakPolarHBondContact O-CD2 3.41Å; I28-Y32 PolarHBondContact O-N 2.61Å
29	V	66.5	Low	63	Low	72 Å²	72	100.8 Å²	100.8	44%	0.436	58%	0.578	S	S	.	*	H	α-helix	trans	-64.1	-40.7	177.9	172.8	0	0	0	0	111.5	H25 Y32 I33	H25-V29 WeakPolarHBondContact O-CB 3.27Å; H25-V29 WeakPolarHBondContact O-CG2 3.45Å; H25-V29 PolarHBondContact O-N 3.02Å; V29-Y32 PolarHBondContact O-N 3.28Å; V29-I33 HydrophobicContact CG1-CD1 3.87Å; V29-I33 HydrophobicContact CG1-CG1 4.5Å; V29-I33 VanDerWaalsContact O-CG1 3.28Å; V29-I33 WeakPolarHBondContact O-CG1 3.32Å; V29-I33 PolarHBondContact O-N 3.39Å
30	A	66.6	Low	64.4	Low	47 Å²	47	96.8 Å²	96.8	39%	0.388	56%	0.56	S	S	.	*	H	α-helix	trans	-63.1	-41.8	175.3	0	0	0	0	0	112.1	K26 G27 I28 I33 I34	K26-A30 WeakPolarHBondContact O-CB 3.5Å; K26-A30 PolarHBondContact O-N 3.05Å; K26-A30 VanDerWaalsContact O-N 3.08Å; G27-A30 PolarHBondContact O-N 2.98Å; I28-A30 PolarHBondContact O-N 3.16Å; A30-I33 PolarHBondContact O-N 2.79Å; A30-I34 VanDerWaalsContact O-CG1 3.28Å; A30-I34 WeakPolarHBondContact O-CG1 3.11Å; A30-I34 PolarHBondContact O-N 3.01Å
31	A	72	Confident	66.3	Low	58 Å²	58	96.9 Å²	96.9	48%	0.479	55%	0.551	S	S	.	*	H	α-helix	trans	-63.9	-40.8	176.3	0	0	0	0	0	112.4	G27 I28 I34 L35	G27-A31 WeakPolarHBondContact O-CB 3.26Å; G27-A31 PolarHBondContact O-N 3.1Å; I28-A31 PolarHBondContact O-N 3.06Å; A31-I34 PolarHBondContact O-N 3.16Å; A31-L35 WeakPolarHBondContact O-CB 3.35Å; A31-L35 PolarHBondContact O-N 3.42Å
32	Y	75.5	Confident	67.6	Low	147 Å²	147	96 Å²	96	58%	0.576	54%	0.54	S	S	*	.	H	α-helix	trans	-65.7	-37.3	175.2	-88	-74.2	0	0	0	112.7	I28 V29 L35 F36	I28-Y32 HydrophobicContact CG2-CD2 3.68Å; I28-Y32 HydrophobicContact CG2-CE2 3.64Å; I28-Y32 VanDerWaalsContact O-CD2 3.26Å; I28-Y32 WeakPolarHBondContact O-CD2 3.41Å; I28-Y32 PolarHBondContact O-N 2.61Å; V29-Y32 PolarHBondContact O-N 3.28Å; Y32-L35 PolarHBondContact O-N 3.09Å; Y32-F36 WeakPolarHBondContact O-CB 3.35Å; Y32-F36 PolarHBondContact O-N 3.35Å
33	I	73.8	Confident	68.9	Low	96 Å²	96	94.3 Å²	94.3	49%	0.492	53%	0.531	S	S	.	.	H	α-helix	trans	-66.4	-43.9	176.3	-69.1	166.6	0	0	0	110.9	V29 A30 F36 L37	V29-I33 HydrophobicContact CG1-CD1 3.87Å; V29-I33 HydrophobicContact CG1-CG1 4.5Å; V29-I33 VanDerWaalsContact O-CG1 3.28Å; V29-I33 WeakPolarHBondContact O-CG1 3.32Å; V29-I33 PolarHBondContact O-N 3.39Å; A30-I33 PolarHBondContact O-N 2.79Å; I33-F36 PolarHBondContact O-N 3.48Å; I33-L37 HydrophobicContact CG2-CD1 4.09Å; I33-L37 WeakPolarHBondContact O-CB 3.03Å; I33-L37 WeakPolarHBondContact O-CG 3.41Å; I33-L37 PolarHBondContact O-N 3.16Å
34	I	76.1	Confident	69.9	Low	100 Å²	100	93.1 Å²	93.1	51%	0.513	52%	0.518	S	S	.	.	H	α-helix	trans	-64.4	-43.7	177	-64.3	168.6	0	0	0	109.9	A30 A31 F36 L37 I38	A30-I34 VanDerWaalsContact O-CG1 3.28Å; A30-I34 WeakPolarHBondContact O-CG1 3.11Å; A30-I34 PolarHBondContact O-N 3.01Å; A31-I34 PolarHBondContact O-N 3.16Å; I34-F36 VanDerWaalsContact C-N 3.34Å; I34-F36 PolarHBondContact O-N 2.93Å; I34-L37 PolarHBondContact O-N 2.93Å; I34-I38 HydrophobicContact CG2-CD1 3.85Å; I34-I38 HydrophobicContact CG2-CG1 4.49Å; I34-I38 VanDerWaalsContact O-CG1 3.29Å; I34-I38 WeakPolarHBondContact O-CG1 3.22Å; I34-I38 PolarHBondContact O-N 2.72Å
35	L	79.1	Confident	70.7	Confident	100 Å²	100	94 Å²	94	52%	0.524	52%	0.516	S	S	.	.	H	α-helix	trans	-60.9	-42.9	175.9	-170.2	75.1	0	0	0	111.5	A31 Y32 I38 V39	A31-L35 WeakPolarHBondContact O-CB 3.35Å; A31-L35 PolarHBondContact O-N 3.42Å; Y32-L35 PolarHBondContact O-N 3.09Å; L35-I38 PolarHBondContact O-N 3.01Å; L35-V39 WeakPolarHBondContact O-CB 3.48Å; L35-V39 VanDerWaalsContact O-CG2 3.25Å; L35-V39 WeakPolarHBondContact O-CG2 3.41Å; L35-V39 PolarHBondContact O-N 3.37Å
36	F	76.5	Confident	71.1	Confident	164 Å²	164	89.8 Å²	89.8	72%	0.719	51%	0.505	S	S	*	.	H	α-helix	trans	-64.8	-37.7	176.2	-116.4	-86.2	0	0	0	112.7	Y32 I33 I34 G40	Y32-F36 WeakPolarHBondContact O-CB 3.35Å; Y32-F36 PolarHBondContact O-N 3.35Å; I33-F36 PolarHBondContact O-N 3.48Å; I34-F36 VanDerWaalsContact C-N 3.34Å; I34-F36 PolarHBondContact O-N 2.93Å; F36-G40 PolarHBondContact O-N 3.1Å
37	L	75.1	Confident	71.5	Confident	108 Å²	108	86.8 Å²	86.8	57%	0.565	50%	0.495	S	S	*	.	H	α-helix	trans	-67	-41.9	175.1	-75.3	170	0	0	0	111.4	I33 I34 G40 I41	I33-L37 HydrophobicContact CG2-CD1 4.09Å; I33-L37 WeakPolarHBondContact O-CB 3.03Å; I33-L37 WeakPolarHBondContact O-CG 3.41Å; I33-L37 PolarHBondContact O-N 3.16Å; I34-L37 PolarHBondContact O-N 2.93Å; L37-G40 PolarHBondContact O-N 3.07Å; L37-I41 WeakPolarHBondContact O-CB 3.4Å; L37-I41 WeakPolarHBondContact O-CD1 3.21Å; L37-I41 WeakPolarHBondContact O-CG1 3.28Å; L37-I41 PolarHBondContact O-N 3.46Å
38	I	79.4	Confident	71.6	Confident	84 Å²	84	87 Å²	87	43%	0.431	49%	0.493	S	S	.	.	H	α-helix	trans	-64.6	-47.7	176.3	-67.6	168.1	0	0	0	110.2	I34 L35 G40 I41 F42	I34-I38 HydrophobicContact CG2-CD1 3.85Å; I34-I38 HydrophobicContact CG2-CG1 4.49Å; I34-I38 VanDerWaalsContact O-CG1 3.29Å; I34-I38 WeakPolarHBondContact O-CG1 3.22Å; I34-I38 PolarHBondContact O-N 2.72Å; L35-I38 PolarHBondContact O-N 3.01Å; I38-G40 VanDerWaalsContact C-N 3.3Å; I38-G40 PolarHBondContact O-N 3.45Å; I38-I41 PolarHBondContact O-N 2.9Å; I38-F42 HydrophobicContact CG2-CD2 3.79Å; I38-F42 HydrophobicContact CG2-CE2 4.01Å; I38-F42 WeakPolarHBondContact O-CD2 3.3Å; I38-F42 PolarHBondContact O-N 3.47Å
39	V	80.7	Confident	71.3	Confident	86 Å²	86	91.4 Å²	91.4	52%	0.521	51%	0.505	S	S	.	.	H	α-helix	trans	-62.6	-37.9	176.4	173.5	0	0	0	0	111	L35 F42 A43	L35-V39 WeakPolarHBondContact O-CB 3.48Å; L35-V39 VanDerWaalsContact O-CG2 3.25Å; L35-V39 WeakPolarHBondContact O-CG2 3.41Å; L35-V39 PolarHBondContact O-N 3.37Å; V39-F42 PolarHBondContact O-N 2.98Å; V39-A43 WeakPolarHBondContact O-CB 3.43Å; V39-A43 PolarHBondContact O-N 3.04Å
40	G	74.4	Confident	70.8	Confident	43 Å²	43	94.8 Å²	94.8	44%	0.443	52%	0.52	S	S	.	.	H	α-helix	trans	-66.2	-38.4	175.2	0	0	0	0	0	113.3	F36 L37 I38 G44	F36-G40 PolarHBondContact O-N 3.1Å; L37-G40 PolarHBondContact O-N 3.07Å; I38-G40 VanDerWaalsContact C-N 3.3Å; I38-G40 PolarHBondContact O-N 3.45Å; G40-G44 PolarHBondContact O-N 3.49Å
41	I	77.4	Confident	70.4	Confident	105 Å²	105	96.4 Å²	96.4	54%	0.538	52%	0.522	S	S	.	.	H	α-helix	trans	-68.1	-45.1	174.4	-70.3	163.8	0	0	0	110.5	L37 I38 G44 L45	L37-I41 WeakPolarHBondContact O-CB 3.4Å; L37-I41 WeakPolarHBondContact O-CD1 3.21Å; L37-I41 WeakPolarHBondContact O-CG1 3.28Å; L37-I41 PolarHBondContact O-N 3.46Å; I38-I41 PolarHBondContact O-N 2.9Å; I41-G44 PolarHBondContact O-N 2.84Å; I41-L45 HydrophobicContact CG2-CD1 3.91Å; I41-L45 WeakPolarHBondContact O-CB 3.35Å; I41-L45 WeakPolarHBondContact O-CG 3.38Å; I41-L45 PolarHBondContact O-N 2.86Å
42	F	76.1	Confident	69.8	Low	144 Å²	144	97.6 Å²	97.6	63%	0.632	52%	0.518	S	S	*	.	H	α-helix	trans	-67.7	-38.6	177.2	-89.4	-80.4	0	0	0	112.4	I38 V39 L45 A46	I38-F42 HydrophobicContact CG2-CD2 3.79Å; I38-F42 HydrophobicContact CG2-CE2 4.01Å; I38-F42 WeakPolarHBondContact O-CD2 3.3Å; I38-F42 PolarHBondContact O-N 3.47Å; V39-F42 PolarHBondContact O-N 2.98Å; F42-L45 PolarHBondContact O-N 2.63Å; F42-A46 WeakPolarHBondContact O-CB 3.44Å; F42-A46 PolarHBondContact O-N 3.22Å
43	A	72.1	Confident	69.3	Low	43 Å²	43	95.4 Å²	95.4	36%	0.355	51%	0.513	S	S	.	.	H	α-helix	trans	-66.4	-40.2	172.7	0	0	0	0	0	111.2	V39 A46 I47	V39-A43 WeakPolarHBondContact O-CB 3.43Å; V39-A43 PolarHBondContact O-N 3.04Å; A43-A46 PolarHBondContact O-N 3.21Å; A43-I47 VanDerWaalsContact O-CB 3.29Å; A43-I47 WeakPolarHBondContact O-CB 3.28Å; A43-I47 WeakPolarHBondContact O-CD1 3.16Å; A43-I47 WeakPolarHBondContact O-CG1 3.5Å; A43-I47 PolarHBondContact O-N 2.92Å
44	G	66.4	Low	69	Low	40 Å²	40	95.7 Å²	95.7	41%	0.412	52%	0.521	S	S	.	.	H	α-helix	trans	-63.9	-42.9	174.8	0	0	0	0	0	112.9	G40 I41 A48	G40-G44 PolarHBondContact O-N 3.49Å; I41-G44 PolarHBondContact O-N 2.84Å; G44-A48 VanDerWaalsContact O-CB 3.31Å; G44-A48 WeakPolarHBondContact O-CB 3.44Å; G44-A48 PolarHBondContact O-N 3.03Å
45	L	67.2	Low	68.9	Low	109 Å²	109	94.5 Å²	94.5	57%	0.571	51%	0.513	S	S	*	.	H	α-helix	trans	-67.6	-39.5	174.3	-76.1	166.9	0	0	0	112	I41 F42 A48 Y49	I41-L45 HydrophobicContact CG2-CD1 3.91Å; I41-L45 WeakPolarHBondContact O-CB 3.35Å; I41-L45 WeakPolarHBondContact O-CG 3.38Å; I41-L45 PolarHBondContact O-N 2.86Å; F42-L45 PolarHBondContact O-N 2.63Å; L45-A48 PolarHBondContact O-N 2.97Å; L45-Y49 WeakPolarHBondContact O-CB 3.23Å; L45-Y49 PolarHBondContact O-N 3Å
46	A	62.9	Low	68.8	Low	47 Å²	47	92.6 Å²	92.6	39%	0.388	50%	0.503	S	S	.	.	H	α-helix	trans	-68.2	-39	175.9	0	0	0	0	0	112.2	F42 A43 Y49 L50	F42-A46 WeakPolarHBondContact O-CB 3.44Å; F42-A46 PolarHBondContact O-N 3.22Å; A43-A46 PolarHBondContact O-N 3.21Å; A46-Y49 PolarHBondContact O-N 2.95Å; A46-L50 VanDerWaalsContact O-CB 3.3Å; A46-L50 WeakPolarHBondContact O-CB 3.3Å; A46-L50 WeakPolarHBondContact O-CD1 3.24Å; A46-L50 WeakPolarHBondContact O-CG 3.5Å; A46-L50 PolarHBondContact O-N 3.35Å
47	I	62.3	Low	68.8	Low	100 Å²	100	85.4 Å²	85.4	51%	0.513	47%	0.472	S	S	.	.	H	α-helix	trans	-68.3	-39	174.7	-69.3	164.2	0	0	0	110.8	A43 Y49 L50 L51	A43-I47 VanDerWaalsContact O-CB 3.29Å; A43-I47 WeakPolarHBondContact O-CB 3.28Å; A43-I47 WeakPolarHBondContact O-CD1 3.16Å; A43-I47 WeakPolarHBondContact O-CG1 3.5Å; A43-I47 PolarHBondContact O-N 2.92Å; I47-Y49 VanDerWaalsContact C-N 3.32Å; I47-L50 PolarHBondContact O-N 2.9Å; I47-L51 HydrophobicContact CG2-CD1 3.93Å; I47-L51 WeakPolarHBondContact O-CG 3.43Å; I47-L51 PolarHBondContact O-N 3.44Å
48	A	58.4	Low	68.6	Low	52 Å²	52	85 Å²	85	43%	0.43	47%	0.469	S	S	.	.	H	α-helix	trans	-63.4	-38.9	173.9	0	0	0	0	0	112	G44 L45	G44-A48 VanDerWaalsContact O-CB 3.31Å; G44-A48 WeakPolarHBondContact O-CB 3.44Å; G44-A48 PolarHBondContact O-N 3.03Å; L45-A48 PolarHBondContact O-N 2.97Å
49	Y	58.4	Low	68.4	Low	174 Å²	174	81.8 Å²	81.8	68%	0.682	45%	0.453	S	S	*	.	H	α-helix	trans	-73.6	-30.5	177.1	-166.3	-97.1	0	0	0	113.1	L45 A46 I47 L51	L45-Y49 WeakPolarHBondContact O-CB 3.23Å; L45-Y49 PolarHBondContact O-N 3Å; A46-Y49 PolarHBondContact O-N 2.95Å; I47-Y49 VanDerWaalsContact C-N 3.32Å; Y49-L51 VanDerWaalsContact C-N 3.29Å; Y49-L51 PolarHBondContact O-N 3.04Å
50	L	57.3	Low	68.2	Low	143 Å²	143	79.6 Å²	79.6	75%	0.749	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-0.7	178.2	-74.7	166.3	0	0	0	114.1	A46 I47	A46-L50 VanDerWaalsContact O-CB 3.3Å; A46-L50 WeakPolarHBondContact O-CB 3.3Å; A46-L50 WeakPolarHBondContact O-CD1 3.24Å; A46-L50 WeakPolarHBondContact O-CG 3.5Å; A46-L50 PolarHBondContact O-N 3.35Å; I47-L50 PolarHBondContact O-N 2.9Å
51	L	56.8	Low	68.4	Low	82 Å²	82	77.6 Å²	77.6	43%	0.429	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	26	-177.5	-75.5	173.2	0	0	0	113.8	I47 Y49	I47-L51 HydrophobicContact CG2-CD1 3.93Å; I47-L51 WeakPolarHBondContact O-CG 3.43Å; I47-L51 PolarHBondContact O-N 3.44Å; Y49-L51 VanDerWaalsContact C-N 3.29Å; Y49-L51 PolarHBondContact O-N 3.04Å
52	E	59.8	Low	68.6	Low	83 Å²	83	73 Å²	73	39%	0.388	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	121.3	170.9	-68.4	-179.1	-177.7	0	0	110.4
53	E	64.4	Low	68.9	Low	100 Å²	100	66.1 Å²	66.1	47%	0.467	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	142.8	173.3	-76.5	178	-172	0	0	109.5	H55 V129 K131	E53-H55 PolarHBondContact O-N 2.78Å; E53-V129 PolarHBondContact N-O 2.86Å; E53-K131 VanDerWaalsContact OE1-CE 3.25Å; E53-K131 WeakPolarHBondContact OE1-CE 3.37Å; E53-K131 IonicContact OE1-NZ 2.7Å; E53-K131 PolarHBondContact OE1-NZ 2.81Å; E53-K131 IonicContact OE2-NZ 3.55Å
54	P	68.5	Low	69.1	Low	102 Å²	102	67 Å²	67	66%	0.662	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	129.9	174.5	28.3	-32.3	0	0	0	110
55	H	74.3	Confident	69.4	Low	76 Å²	76	67.2 Å²	67.2	35%	0.352	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.5	176.1	-143.5	66.9	0	0	0	110.4	E53 F57 F127 V129	E53-H55 PolarHBondContact O-N 2.78Å; H55-F57 HydrophobicContact CB-CE2 4.43Å; H55-F57 AromaticContact CD2-CE2 3.79Å; H55-F57 AromaticContact CD2-CZ 3.52Å; H55-F127 PolarHBondContact N-O 2.82Å; H55-F127 PolarHBondContact O-N 3.03Å; H55-V129 HydrophobicContact CB-CG2 4.08Å
56	D	76.8	Confident	70	Confident	59 Å²	59	62.1 Å²	62.1	32%	0.316	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	130.1	-172.9	-60.5	-18.5	0	0	0	110.6	R124 L125 F126	D56-R124 HydrophobicContact CB-CG 4.28Å; D56-R124 IonicContact OD2-CZ 3.59Å; D56-R124 IonicContact OD2-NE 3.85Å; D56-R124 PolarHBondContact OD2-NE 3.09Å; D56-R124 IonicContact OD2-NH2 2.65Å; D56-R124 PolarHBondContact OD2-NH2 3.16Å; D56-L125 VanDerWaalsContact CA-O 3.31Å; D56-L125 WeakPolarHBondContact CA-O 3.1Å; D56-F126 WeakPolarHBondContact OD1-CD1 3.31Å
57	F	76.4	Confident	71	Confident	14 Å²	14	68 Å²	68	6%	0.061	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	132.7	175.5	-60.1	-93.4	0	0	0	109.9	H55 R124 L125 F127 D137 V140	H55-F57 HydrophobicContact CB-CE2 4.43Å; H55-F57 AromaticContact CD2-CE2 3.79Å; H55-F57 AromaticContact CD2-CZ 3.52Å; F57-R124 CarbonylContact O-C 3.5Å; F57-R124 WeakPolarHBondContact O-CA 3.35Å; F57-L125 HydrophobicContact CB-CB 4.4Å; F57-L125 PolarHBondContact N-O 3.12Å; F57-L125 PolarHBondContact O-N 2.83Å; F57-F127 AromaticContact CD2-CD2 3.45Å; F57-F127 HydrophobicContact CD2-CD2 3.45Å; F57-F127 VanDerWaalsContact CD2-CD2 3.45Å; F57-F127 AromaticContact CD2-CE2 3.67Å; F57-F127 HydrophobicContact CD2-CE2 3.67Å; F57-F127 AromaticContact CE2-CD2 3.58Å; F57-F127 HydrophobicContact CE2-CD2 3.58Å; F57-F127 HydrophobicContact CE2-CE2 4.06Å; F57-F127 HydrophobicContact CE2-CG 4.32Å; F57-D137 WeakPolarHBondContact CD1-OD1 3.43Å; F57-D137 WeakPolarHBondContact CE1-OD1 3.17Å; F57-V140 HydrophobicContact CB-CG1 4.47Å; F57-V140 HydrophobicContact CD1-CB 4.42Å; F57-V140 HydrophobicContact CD1-CG2 4.33Å; F57-V140 HydrophobicContact CD2-CG1 4.43Å; F57-V140 HydrophobicContact CD2-CG2 4.36Å; F57-V140 HydrophobicContact CE1-CG2 4.03Å; F57-V140 HydrophobicContact CE2-CG2 4.07Å; F57-V140 HydrophobicContact CG-CG1 4.29Å; F57-V140 HydrophobicContact CG-CG2 4.46Å; F57-V140 HydrophobicContact CZ-CG2 3.87Å
58	L	71.6	Confident	72	Confident	98 Å²	98	65.8 Å²	65.8	51%	0.513	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	122.1	178.5	-66.5	174.8	0	0	0	109.6	I110 L123 R124	L58-I110 HydrophobicContact CD2-CD1 3.1Å; L58-L123 WeakPolarHBondContact CA-O 3.3Å; L58-R124 HydrophobicContact CD2-CB 3.85Å; L58-R124 HydrophobicContact CD2-CG 3.84Å
59	E	73.6	Confident	73	Confident	17 Å²	17	64.7 Å²	64.7	8%	0.079	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	136.8	179.8	-168.1	60.4	-158.5	0	0	110	L123 L144 L170 G172 A173	E59-L123 PolarHBondContact N-O 3.32Å; E59-L123 PolarHBondContact O-N 2.89Å; E59-L144 HydrophobicContact CB-CD2 4.4Å; E59-L144 HydrophobicContact CG-CD2 4.17Å; E59-L170 HydrophobicContact CG-CD2 3.65Å; E59-G172 WeakPolarHBondContact OE1-CA 3.3Å; E59-G172 PolarHBondContact OE1-N 2.83Å; E59-A173 WeakPolarHBondContact OE2-CB 3.47Å; E59-A173 PolarHBondContact OE2-N 3.12Å; E59-A173 VanDerWaalsContact OE2-N 3.12Å
60	T	76.8	Confident	74	Confident	41 Å²	41	60.6 Å²	60.6	25%	0.252	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.9	179.2	-56.5	0	0	0	0	110	M120 A121 T122 L171	T60-M120 HydrophobicContact CG2-CB 4.37Å; T60-A121 WeakPolarHBondContact CA-O 3.2Å; T60-T122 PolarHBondContact OG1-OG1 2.86Å; T60-L171 HydrophobicContact CG2-CD1 4.18Å; T60-L171 WeakPolarHBondContact O-CB 3.37Å; T60-L171 PolarHBondContact O-N 3.07Å
61	V	78.7	Confident	75.1	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.006	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	137.3	-178.7	-59.4	0	0	0	0	110.7	L63 M120 A121 L123 V168 V169 L170	V61-L63 HydrophobicContact CG2-CD2 3.94Å; V61-M120 CarbonylContact O-C 3.55Å; V61-M120 VanDerWaalsContact O-CA 3.29Å; V61-M120 WeakPolarHBondContact O-CA 3.24Å; V61-A121 HydrophobicContact CG2-CB 4.11Å; V61-A121 WeakPolarHBondContact CG2-O 3.35Å; V61-A121 PolarHBondContact N-O 3.49Å; V61-A121 PolarHBondContact O-N 3.38Å; V61-L123 HydrophobicContact CG1-CD1 3.83Å; V61-L123 HydrophobicContact CG2-CD1 3.87Å; V61-V168 HydrophobicContact CB-CG1 3.78Å; V61-V168 HydrophobicContact CG1-CG1 4.23Å; V61-V168 HydrophobicContact CG2-CG1 4.27Å; V61-V169 CarbonylContact C-O 3.49Å; V61-V169 WeakPolarHBondContact CA-O 3Å; V61-L170 HydrophobicContact CG1-CD2 4.08Å; V61-L170 HydrophobicContact CG1-CG 3.99Å
62	E	81	Confident	76.1	Confident	8 Å²	8	54.6 Å²	54.6	4%	0.037	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	120	173	-175.5	173.5	173.9	0	0	108.6	K64 K115 V168 V169 L171	E62-K64 HydrophobicContact CG-CD 4.28Å; E62-K64 WeakPolarHBondContact OE1-CE 3.45Å; E62-K64 IonicContact OE1-NZ 2.98Å; E62-K64 PolarHBondContact OE1-NZ 3.13Å; E62-K115 IonicContact OE2-NZ 3.36Å; E62-K115 PolarHBondContact OE2-NZ 3.24Å; E62-V168 WeakPolarHBondContact O-CA 3.47Å; E62-V169 HydrophobicContact CB-CB 4.3Å; E62-V169 PolarHBondContact N-O 3.06Å; E62-V169 PolarHBondContact O-N 3.35Å; E62-L171 HydrophobicContact CB-CD1 4.19Å; E62-L171 HydrophobicContact CB-CD2 4.44Å; E62-L171 HydrophobicContact CB-CG 4.32Å
63	L	82.9	Confident	76.7	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	94.1	-176.5	-52.2	176.5	0	0	0	108.9	V61 L83 L87 V119 A121 I165 V168	V61-L63 HydrophobicContact CG2-CD2 3.94Å; L63-L83 HydrophobicContact CD1-CD1 4.02Å; L63-L83 HydrophobicContact CD1-CD2 4.18Å; L63-L83 HydrophobicContact CD1-CG 4.49Å; L63-L87 HydrophobicContact CD1-CD1 3.82Å; L63-L87 HydrophobicContact CD1-CD2 4.42Å; L63-L87 HydrophobicContact CD2-CD2 3.95Å; L63-V119 HydrophobicContact CB-CB 4.44Å; L63-V119 WeakPolarHBondContact CB-O 3.44Å; L63-V119 HydrophobicContact CD1-CB 4.41Å; L63-V119 HydrophobicContact CD1-CG1 4.06Å; L63-V119 PolarHBondContact N-O 3.33Å; L63-A121 HydrophobicContact CD1-CB 4.39Å; L63-I165 HydrophobicContact CB-CG1 4.38Å; L63-I165 HydrophobicContact CB-CG2 4.21Å; L63-I165 HydrophobicContact CD1-CD1 4.29Å; L63-I165 HydrophobicContact CD2-CD1 4.48Å; L63-I165 HydrophobicContact CD2-CG2 4.47Å; L63-V168 HydrophobicContact CD2-CG1 4.03Å; L63-V168 HydrophobicContact CD2-CG2 3.76Å
64	K	76.8	Confident	77.3	Confident	62 Å²	62	57 Å²	57	27%	0.27	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	137.5	-178.8	-67.5	-56.9	-159.3	-178.2	0	111.3	E62 D118 I165 S166 A167 V169	E62-K64 HydrophobicContact CG-CD 4.28Å; E62-K64 WeakPolarHBondContact OE1-CE 3.45Å; E62-K64 IonicContact OE1-NZ 2.98Å; E62-K64 PolarHBondContact OE1-NZ 3.13Å; K64-D118 HydrophobicContact CD-CB 4.43Å; K64-D118 WeakPolarHBondContact CD-OD2 3.35Å; K64-D118 IonicContact NZ-OD2 3.5Å; K64-D118 PolarHBondContact NZ-OD2 3.2Å; K64-I165 CarbonylContact O-C 3.53Å; K64-I165 WeakPolarHBondContact O-CA 3.19Å; K64-S166 PolarHBondContact O-N 3.2Å; K64-S166 PolarHBondContact O-OG 3.46Å; K64-A167 HydrophobicContact CB-CB 4.07Å; K64-A167 WeakPolarHBondContact CB-O 3.47Å; K64-A167 HydrophobicContact CG-CB 4.38Å; K64-A167 PolarHBondContact N-O 2.77Å; K64-V169 HydrophobicContact CG-CG2 4.35Å
65	G	72	Confident	77.3	Confident	44 Å²	44	54.4 Å²	54.4	45%	0.454	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	94.4	-9.8	177.8	0	0	0	0	0	114.7	Q164	G65-Q164 CarbonylContact C-O 3.2Å
66	L	81.1	Confident	77.4	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	119.4	176.1	-165.8	72.7	0	0	0	109.7	F79 L83 D118 V119 V159 F162 I165	L66-F79 HydrophobicContact CD1-CE2 4.32Å; L66-F79 HydrophobicContact CD1-CZ 4.26Å; L66-F79 HydrophobicContact CD2-CE2 3.94Å; L66-F79 HydrophobicContact CD2-CZ 3.99Å; L66-F79 HydrophobicContact CG-CE2 4.34Å; L66-F79 HydrophobicContact CG-CZ 4.04Å; L66-L83 HydrophobicContact CD2-CD1 3.76Å; L66-L83 HydrophobicContact CD2-CD2 3.87Å; L66-L83 HydrophobicContact CD2-CG 4.45Å; L66-D118 WeakPolarHBondContact O-CA 3.35Å; L66-V119 HydrophobicContact CB-CG2 4.39Å; L66-V119 HydrophobicContact CD2-CB 4.36Å; L66-V119 HydrophobicContact CD2-CG2 4.04Å; L66-V119 HydrophobicContact CG-CG2 4.11Å; L66-V119 PolarHBondContact O-N 3.14Å; L66-V119 VanDerWaalsContact O-N 3.12Å; L66-V159 HydrophobicContact CD1-CB 4.41Å; L66-V159 HydrophobicContact CD1-CG2 4.43Å; L66-V159 HydrophobicContact CD2-CG2 4.42Å; L66-F162 HydrophobicContact CD1-CB 4.48Å; L66-F162 WeakPolarHBondContact CD1-O 3.49Å; L66-I165 HydrophobicContact CB-CG1 4.21Å; L66-I165 HydrophobicContact CD2-CG1 4.32Å
67	K	83.1	Confident	77.8	Confident	171 Å²	171	55.4 Å²	55.4	74%	0.743	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	138.3	-179.3	-69.6	-148.2	176.4	-170.5	0	111.9	G117	K67-G117 WeakPolarHBondContact CA-O 3.24Å
68	Y	83.3	Confident	78	Confident	53 Å²	53	56.8 Å²	56.8	21%	0.208	33%	0.325	C	S	.	.			trans	-66.7	131.7	176.3	-174.7	-102.1	0	0	0	112.1	L72 E73 G113 G117 V119	Y68-L72 HydrophobicContact CD2-CD1 4.01Å; Y68-L72 HydrophobicContact CE2-CB 4.43Å; Y68-L72 HydrophobicContact CE2-CD1 4.32Å; Y68-E73 WeakPolarHBondContact OH-CG 3.28Å; Y68-E73 PolarHBondContact OH-OE1 3.33Å; Y68-G113 WeakPolarHBondContact CD2-O 3.38Å; Y68-G113 VanDerWaalsContact CE2-C 3.46Å; Y68-G113 VanDerWaalsContact CE2-O 3.3Å; Y68-G113 WeakPolarHBondContact CE2-O 3.18Å; Y68-G117 PolarHBondContact N-O 2.72Å; Y68-V119 HydrophobicContact CD2-CG2 4.31Å
69	S	80.3	Confident	78.5	Confident	29 Å²	29	52.5 Å²	52.5	20%	0.203	30%	0.302	C	S	.	.			trans	-118.8	140.2	166.6	-176.7	0	0	0	0	109.1	D71 L72	S69-D71 PolarHBondContact O-N 3.05Å; S69-D71 VanDerWaalsContact O-N 3.09Å; S69-D71 PolarHBondContact OG-N 3.3Å; S69-D71 PolarHBondContact OG-OD2 3.4Å; S69-L72 WeakPolarHBondContact O-CB 3.27Å; S69-L72 PolarHBondContact O-N 3.26Å; S69-L72 VanDerWaalsContact O-N 3.07Å
70	P	78.5	Confident	78.9	Confident	89 Å²	89	52.1 Å²	52.1	58%	0.578	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-54.8	-24.4	172.3	-22.8	32.9	0	0	0	113.5	L72 E73	P70-L72 PolarHBondContact O-N 3.48Å; P70-L72 VanDerWaalsContact O-N 3.1Å; P70-E73 WeakPolarHBondContact O-CB 3.46Å; P70-E73 PolarHBondContact O-N 3.48Å
71	D	79.7	Confident	79.2	Confident	95 Å²	95	54.4 Å²	54.4	51%	0.508	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-60.2	-20.8	177.3	-52.7	-38.6	0	0	0	112.9	S69 E73 D74 S77	S69-D71 PolarHBondContact O-N 3.05Å; S69-D71 VanDerWaalsContact O-N 3.09Å; S69-D71 PolarHBondContact OG-N 3.3Å; S69-D71 PolarHBondContact OG-OD2 3.4Å; D71-E73 PolarHBondContact O-N 2.96Å; D71-D74 PolarHBondContact O-N 3.42Å; D71-S77 WeakPolarHBondContact O-CB 3.46Å; D71-S77 PolarHBondContact O-OG 2.89Å
72	L	79	Confident	79.5	Confident	3 Å²	3	57.5 Å²	57.5	2%	0.016	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-68.3	-21	176	-73.7	168.9	0	0	0	113.3	Y68 S69 P70 D74 F79 L83 F112 V119	Y68-L72 HydrophobicContact CD2-CD1 4.01Å; Y68-L72 HydrophobicContact CE2-CB 4.43Å; Y68-L72 HydrophobicContact CE2-CD1 4.32Å; S69-L72 WeakPolarHBondContact O-CB 3.27Å; S69-L72 PolarHBondContact O-N 3.26Å; S69-L72 VanDerWaalsContact O-N 3.07Å; P70-L72 PolarHBondContact O-N 3.48Å; P70-L72 VanDerWaalsContact O-N 3.1Å; L72-D74 VanDerWaalsContact C-N 3.3Å; L72-F79 HydrophobicContact CD1-CD1 4.04Å; L72-F79 HydrophobicContact CD1-CE1 3.59Å; L72-F79 HydrophobicContact CD1-CZ 3.86Å; L72-F79 HydrophobicContact CD2-CB 4.1Å; L72-F79 HydrophobicContact CD2-CD1 3.68Å; L72-F79 HydrophobicContact CD2-CD2 3.74Å; L72-F79 HydrophobicContact CD2-CE1 3.97Å; L72-F79 HydrophobicContact CD2-CE2 4.02Å; L72-F79 HydrophobicContact CD2-CG 3.55Å; L72-F79 HydrophobicContact CD2-CZ 4.13Å; L72-F79 HydrophobicContact CG-CD1 3.53Å; L72-F79 HydrophobicContact CG-CD2 4.47Å; L72-F79 HydrophobicContact CG-CE1 3.65Å; L72-F79 HydrophobicContact CG-CG 3.96Å; L72-F79 HydrophobicContact CG-CZ 4.18Å; L72-L83 HydrophobicContact CD2-CD2 3.83Å; L72-F112 HydrophobicContact CB-CB 3.98Å; L72-F112 HydrophobicContact CB-CD2 4.37Å; L72-F112 HydrophobicContact CB-CG 4.23Å; L72-F112 HydrophobicContact CD2-CG 4.49Å; L72-F112 WeakPolarHBondContact O-CD2 3.16Å; L72-V119 HydrophobicContact CD1-CB 4.41Å; L72-V119 HydrophobicContact CD1-CG1 3.83Å; L72-V119 HydrophobicContact CD1-CG2 3.59Å
73	E	72.3	Confident	79.7	Confident	143 Å²	143	57.1 Å²	57.1	67%	0.668	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-73.5	-24.4	175.8	-63.6	180	-167	0	0	111.8	Y68 P70 D71	Y68-E73 WeakPolarHBondContact OH-CG 3.28Å; Y68-E73 PolarHBondContact OH-OE1 3.33Å; P70-E73 WeakPolarHBondContact O-CB 3.46Å; P70-E73 PolarHBondContact O-N 3.48Å; D71-E73 PolarHBondContact O-N 2.96Å
74	D	77	Confident	79.8	Confident	90 Å²	90	57.9 Å²	57.9	48%	0.481	33%	0.33	S	S	.	.	S	Bend	trans	-84.7	112.1	171.4	-176.1	0.2	0	0	0	110.4	D71 L72 N76 S77 S80	D71-D74 PolarHBondContact O-N 3.42Å; L72-D74 VanDerWaalsContact C-N 3.3Å; D74-N76 PolarHBondContact O-N 2.87Å; D74-N76 VanDerWaalsContact O-N 3.1Å; D74-N76 PolarHBondContact OD1-N 2.76Å; D74-S77 WeakPolarHBondContact O-CB 3.31Å; D74-S77 PolarHBondContact O-N 3.36Å; D74-S77 PolarHBondContact O-OG 2.88Å; D74-S80 VanDerWaalsContact O-CB 3.27Å; D74-S80 WeakPolarHBondContact O-CB 3.45Å
75	G	68.7	Low	80.2	Confident	49 Å²	49	58.6 Å²	58.6	51%	0.505	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-15.1	179	0	0	0	0	0	114.9
76	N	77	Confident	80.8	Confident	139 Å²	139	57.7 Å²	57.7	74%	0.743	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	0.5	176.5	-74	-18.7	0	0	0	113.7	D74	D74-N76 PolarHBondContact O-N 2.87Å; D74-N76 VanDerWaalsContact O-N 3.1Å; D74-N76 PolarHBondContact OD1-N 2.76Å
77	S	85.1	Confident	81	Confident	17 Å²	17	58 Å²	58	12%	0.119	33%	0.333	C	S	.	.	S	Bend	trans	-70.2	146.6	177.7	80.2	0	0	0	0	111.4	D71 D74 F79 S80 I81	D71-S77 WeakPolarHBondContact O-CB 3.46Å; D71-S77 PolarHBondContact O-OG 2.89Å; D74-S77 WeakPolarHBondContact O-CB 3.31Å; D74-S77 PolarHBondContact O-N 3.36Å; D74-S77 PolarHBondContact O-OG 2.88Å; S77-F79 PolarHBondContact O-N 3.09Å; S77-S80 PolarHBondContact O-N 2.78Å; S77-S80 VanDerWaalsContact OG-CB 3.28Å; S77-S80 WeakPolarHBondContact OG-CB 3.44Å; S77-S80 PolarHBondContact OG-N 3.35Å; S77-I81 VanDerWaalsContact O-CG1 3.32Å; S77-I81 WeakPolarHBondContact O-CG1 3.33Å; S77-I81 PolarHBondContact O-N 2.88Å
78	G	80.6	Confident	81.3	Confident	42 Å²	42	53.8 Å²	53.8	43%	0.433	32%	0.315	S	S	.	.	H	α-helix	trans	-56.5	-33.5	175.7	0	0	0	0	0	112.4	I82	G78-I82 VanDerWaalsContact O-CB 3.32Å; G78-I82 WeakPolarHBondContact O-CB 3.4Å; G78-I82 WeakPolarHBondContact O-CD1 3.43Å; G78-I82 VanDerWaalsContact O-CG1 3.25Å; G78-I82 WeakPolarHBondContact O-CG1 3.39Å; G78-I82 PolarHBondContact O-N 3.36Å; G78-I82 VanDerWaalsContact O-N 3.08Å
79	F	81.9	Confident	81.3	Confident	9 Å²	9	54.1 Å²	54.1	4%	0.039	33%	0.325	C	S	.	.	H	α-helix	trans	-68.9	-48	178.3	-166.6	-174	0	0	0	111.7	L66 L72 S77 I81 L83 F162	L66-F79 HydrophobicContact CD1-CE2 4.32Å; L66-F79 HydrophobicContact CD1-CZ 4.26Å; L66-F79 HydrophobicContact CD2-CE2 3.94Å; L66-F79 HydrophobicContact CD2-CZ 3.99Å; L66-F79 HydrophobicContact CG-CE2 4.34Å; L66-F79 HydrophobicContact CG-CZ 4.04Å; L72-F79 HydrophobicContact CD1-CD1 4.04Å; L72-F79 HydrophobicContact CD1-CE1 3.59Å; L72-F79 HydrophobicContact CD1-CZ 3.86Å; L72-F79 HydrophobicContact CD2-CB 4.1Å; L72-F79 HydrophobicContact CD2-CD1 3.68Å; L72-F79 HydrophobicContact CD2-CD2 3.74Å; L72-F79 HydrophobicContact CD2-CE1 3.97Å; L72-F79 HydrophobicContact CD2-CE2 4.02Å; L72-F79 HydrophobicContact CD2-CG 3.55Å; L72-F79 HydrophobicContact CD2-CZ 4.13Å; L72-F79 HydrophobicContact CG-CD1 3.53Å; L72-F79 HydrophobicContact CG-CD2 4.47Å; L72-F79 HydrophobicContact CG-CE1 3.65Å; L72-F79 HydrophobicContact CG-CG 3.96Å; L72-F79 HydrophobicContact CG-CZ 4.18Å; S77-F79 PolarHBondContact O-N 3.09Å; F79-I81 PolarHBondContact O-N 2.84Å; F79-L83 HydrophobicContact CD2-CB 4.4Å; F79-L83 HydrophobicContact CE2-CB 4.47Å; F79-L83 HydrophobicContact CE2-CD2 4.29Å; F79-L83 WeakPolarHBondContact O-CB 3.21Å; F79-L83 PolarHBondContact O-N 2.87Å; F79-F162 HydrophobicContact CB-CD1 3.8Å; F79-F162 HydrophobicContact CB-CD2 4.46Å; F79-F162 HydrophobicContact CB-CE1 3.54Å; F79-F162 HydrophobicContact CB-CE2 4.24Å; F79-F162 HydrophobicContact CB-CG 4.27Å; F79-F162 HydrophobicContact CB-CZ 3.78Å; F79-F162 AromaticContact CD1-CD1 3.87Å; F79-F162 HydrophobicContact CD1-CD1 3.87Å; F79-F162 HydrophobicContact CD1-CE1 4.32Å; F79-F162 HydrophobicContact CD1-CG 4.44Å; F79-F162 HydrophobicContact CD2-CB 3.6Å; F79-F162 AromaticContact CD2-CD1 3.58Å; F79-F162 HydrophobicContact CD2-CD1 3.58Å; F79-F162 AromaticContact CD2-CD2 3.78Å; F79-F162 HydrophobicContact CD2-CD2 3.78Å; F79-F162 HydrophobicContact CD2-CE1 4.2Å; F79-F162 HydrophobicContact CD2-CE2 4.38Å; F79-F162 AromaticContact CD2-CG 3.34Å; F79-F162 HydrophobicContact CD2-CG 3.34Å; F79-F162 HydrophobicContact CE1-CD1 4.35Å; F79-F162 HydrophobicContact CE2-CB 3.38Å; F79-F162 HydrophobicContact CE2-CD1 4.1Å; F79-F162 HydrophobicContact CE2-CD2 4.42Å; F79-F162 AromaticContact CE2-CG 3.71Å; F79-F162 HydrophobicContact CE2-CG 3.71Å; F79-F162 HydrophobicContact CG-CB 4.35Å; F79-F162 AromaticContact CG-CD1 3.47Å; F79-F162 HydrophobicContact CG-CD1 3.47Å; F79-F162 VanDerWaalsContact CG-CD1 3.47Å; F79-F162 HydrophobicContact CG-CD2 4.32Å; F79-F162 AromaticContact CG-CE1 3.78Å; F79-F162 HydrophobicContact CG-CE1 3.78Å; F79-F162 AromaticContact CG-CG 3.77Å; F79-F162 HydrophobicContact CG-CG 3.77Å; F79-F162 HydrophobicContact CG-CZ 4.33Å; F79-F162 HydrophobicContact CZ-CB 3.96Å; F79-F162 HydrophobicContact CZ-CD1 4.46Å; F79-F162 HydrophobicContact CZ-CG 4.41Å
80	S	80.6	Confident	81.5	Confident	8 Å²	8	56 Å²	56	6%	0.056	33%	0.329	C	S	.	.	H	α-helix	trans	-63.4	-41.8	179.4	-172.6	0	0	0	0	111.7	D74 S77 S84 F112	D74-S80 VanDerWaalsContact O-CB 3.27Å; D74-S80 WeakPolarHBondContact O-CB 3.45Å; S77-S80 PolarHBondContact O-N 2.78Å; S77-S80 VanDerWaalsContact OG-CB 3.28Å; S77-S80 WeakPolarHBondContact OG-CB 3.44Å; S77-S80 PolarHBondContact OG-N 3.35Å; S80-S84 WeakPolarHBondContact O-CB 3.07Å; S80-S84 PolarHBondContact O-N 2.86Å; S80-S84 PolarHBondContact O-OG 2.85Å; S80-F112 WeakPolarHBondContact OG-CE2 3.46Å
81	I	83.7	Confident	81.9	Confident	90 Å²	90	51.8 Å²	51.8	46%	0.462	30%	0.302	S	S	.	.	H	α-helix	trans	-65.5	-49.5	179.6	-66.4	168.2	0	0	0	111.3	S77 F79 S84 S85	S77-I81 VanDerWaalsContact O-CG1 3.32Å; S77-I81 WeakPolarHBondContact O-CG1 3.33Å; S77-I81 PolarHBondContact O-N 2.88Å; F79-I81 PolarHBondContact O-N 2.84Å; I81-S84 PolarHBondContact O-N 2.63Å; I81-S85 WeakPolarHBondContact O-CB 3.36Å; I81-S85 PolarHBondContact O-N 3.19Å
82	I	85.3	Confident	82.2	Confident	65 Å²	65	53.2 Å²	53.2	33%	0.333	30%	0.304	S	S	.	.	H	α-helix	trans	-68	-45.9	-176.3	-70.4	167.2	0	0	0	110.5	G78 S84 S85 A86 V159 F162	G78-I82 VanDerWaalsContact O-CB 3.32Å; G78-I82 WeakPolarHBondContact O-CB 3.4Å; G78-I82 WeakPolarHBondContact O-CD1 3.43Å; G78-I82 VanDerWaalsContact O-CG1 3.25Å; G78-I82 WeakPolarHBondContact O-CG1 3.39Å; G78-I82 PolarHBondContact O-N 3.36Å; G78-I82 VanDerWaalsContact O-N 3.08Å; I82-S84 VanDerWaalsContact C-N 3.34Å; I82-S84 PolarHBondContact O-N 3.01Å; I82-S85 PolarHBondContact O-N 2.9Å; I82-A86 WeakPolarHBondContact O-CB 3.29Å; I82-A86 PolarHBondContact O-N 2.91Å; I82-V159 HydrophobicContact CG2-CG1 3.95Å; I82-F162 HydrophobicContact CD1-CE2 3.88Å
83	L	85	Confident	82.4	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-63	-42.8	177	-177.7	59.6	0	0	0	111.3	L63 L66 L72 F79 S85 A86 L87 F112 V119 V159 I165	L63-L83 HydrophobicContact CD1-CD1 4.02Å; L63-L83 HydrophobicContact CD1-CD2 4.18Å; L63-L83 HydrophobicContact CD1-CG 4.49Å; L66-L83 HydrophobicContact CD2-CD1 3.76Å; L66-L83 HydrophobicContact CD2-CD2 3.87Å; L66-L83 HydrophobicContact CD2-CG 4.45Å; L72-L83 HydrophobicContact CD2-CD2 3.83Å; F79-L83 HydrophobicContact CD2-CB 4.4Å; F79-L83 HydrophobicContact CE2-CB 4.47Å; F79-L83 HydrophobicContact CE2-CD2 4.29Å; F79-L83 WeakPolarHBondContact O-CB 3.21Å; F79-L83 PolarHBondContact O-N 2.87Å; L83-S85 PolarHBondContact O-N 3.35Å; L83-A86 PolarHBondContact O-N 2.79Å; L83-L87 HydrophobicContact CD1-CD1 4Å; L83-L87 HydrophobicContact CD1-CG 4.25Å; L83-L87 HydrophobicContact CG-CD1 4Å; L83-L87 WeakPolarHBondContact O-CG 3.12Å; L83-L87 PolarHBondContact O-N 2.84Å; L83-F112 HydrophobicContact CD2-CD1 4.09Å; L83-F112 HydrophobicContact CD2-CE1 3.55Å; L83-F112 HydrophobicContact CD2-CZ 4.14Å; L83-F112 HydrophobicContact CG-CE1 4.01Å; L83-F112 HydrophobicContact CG-CZ 4.3Å; L83-V119 HydrophobicContact CD2-CG1 3.97Å; L83-V159 HydrophobicContact CB-CG1 4.46Å; L83-V159 HydrophobicContact CD1-CG1 4.37Å; L83-V159 HydrophobicContact CD1-CG2 3.93Å; L83-I165 HydrophobicContact CD1-CD1 4.04Å
84	S	85.9	Confident	83	Confident	16 Å²	16	50.5 Å²	50.5	11%	0.112	29%	0.293	C	S	.	.	H	α-helix	trans	-62.7	-42.4	177.9	-68.9	0	0	0	0	112.6	S80 I81 I82 K88 F112	S80-S84 WeakPolarHBondContact O-CB 3.07Å; S80-S84 PolarHBondContact O-N 2.86Å; S80-S84 PolarHBondContact O-OG 2.85Å; I81-S84 PolarHBondContact O-N 2.63Å; I82-S84 VanDerWaalsContact C-N 3.34Å; I82-S84 PolarHBondContact O-N 3.01Å; S84-K88 VanDerWaalsContact O-CB 3.28Å; S84-K88 WeakPolarHBondContact O-CB 3.34Å; S84-K88 WeakPolarHBondContact O-CD 3.41Å; S84-K88 WeakPolarHBondContact O-CG 3.33Å; S84-K88 PolarHBondContact O-N 2.66Å; S84-F112 WeakPolarHBondContact OG-CZ 3.42Å
85	S	85.4	Confident	83.3	Confident	78 Å²	78	46.2 Å²	46.2	55%	0.545	27%	0.271	S	S	.	.	H	α-helix	trans	-64.5	-44.3	178	-172.8	0	0	0	0	111.6	I81 I82 L83 S89	I81-S85 WeakPolarHBondContact O-CB 3.36Å; I81-S85 PolarHBondContact O-N 3.19Å; I82-S85 PolarHBondContact O-N 2.9Å; L83-S85 PolarHBondContact O-N 3.35Å; S85-S89 WeakPolarHBondContact O-CB 3.37Å; S85-S89 PolarHBondContact O-N 3.46Å
86	A	84.3	Confident	84	Confident	24 Å²	24	47.3 Å²	47.3	20%	0.198	27%	0.268	C	S	.	.	H	α-helix	trans	-61.8	-48.4	179.5	0	0	0	0	0	111.9	I82 L83 S89 K90	I82-A86 WeakPolarHBondContact O-CB 3.29Å; I82-A86 PolarHBondContact O-N 2.91Å; L83-A86 PolarHBondContact O-N 2.79Å; A86-S89 PolarHBondContact O-N 3.33Å; A86-K90 PolarHBondContact O-N 3.47Å
87	L	85.4	Confident	84	Confident	7 Å²	7	45 Å²	45	4%	0.037	27%	0.268	C	S	.	.	H	α-helix	trans	-65.9	-45.9	179.3	-70.8	170.4	0	0	0	112.1	L63 L83 S89 K90 V91 I109 A121	L63-L87 HydrophobicContact CD1-CD1 3.82Å; L63-L87 HydrophobicContact CD1-CD2 4.42Å; L63-L87 HydrophobicContact CD2-CD2 3.95Å; L83-L87 HydrophobicContact CD1-CD1 4Å; L83-L87 HydrophobicContact CD1-CG 4.25Å; L83-L87 HydrophobicContact CG-CD1 4Å; L83-L87 WeakPolarHBondContact O-CG 3.12Å; L83-L87 PolarHBondContact O-N 2.84Å; L87-S89 VanDerWaalsContact C-N 3.29Å; L87-S89 PolarHBondContact O-N 3.49Å; L87-K90 PolarHBondContact O-N 3.36Å; L87-V91 WeakPolarHBondContact O-CB 3.31Å; L87-V91 VanDerWaalsContact O-CG2 3.3Å; L87-V91 WeakPolarHBondContact O-CG2 3.33Å; L87-V91 PolarHBondContact O-N 3.13Å; L87-I109 HydrophobicContact CB-CD1 4.1Å; L87-I109 HydrophobicContact CD1-CD1 4.14Å; L87-A121 HydrophobicContact CD1-CB 4.13Å
88	K	87.8	Confident	83.8	Confident	84 Å²	84	45 Å²	45	37%	0.365	27%	0.268	S	S	.	.	H	α-helix	trans	-58.9	-41.1	177.6	-74.8	173.9	-173.5	-178.1	0	112	S84 K92 I109	S84-K88 VanDerWaalsContact O-CB 3.28Å; S84-K88 WeakPolarHBondContact O-CB 3.34Å; S84-K88 WeakPolarHBondContact O-CD 3.41Å; S84-K88 WeakPolarHBondContact O-CG 3.33Å; S84-K88 PolarHBondContact O-N 2.66Å; K88-K92 VanDerWaalsContact O-CB 3.3Å; K88-K92 WeakPolarHBondContact O-CB 3.31Å; K88-K92 PolarHBondContact O-N 2.72Å; K88-I109 HydrophobicContact CG-CD1 4.41Å
89	S	84.6	Confident	83.4	Confident	60 Å²	60	48 Å²	48	42%	0.42	28%	0.282	S	S	.	.	H	α-helix	trans	-61.2	-47.5	177.3	-169.8	0	0	0	0	111.5	S85 A86 L87 K92 D93	S85-S89 WeakPolarHBondContact O-CB 3.37Å; S85-S89 PolarHBondContact O-N 3.46Å; A86-S89 PolarHBondContact O-N 3.33Å; L87-S89 VanDerWaalsContact C-N 3.29Å; L87-S89 PolarHBondContact O-N 3.49Å; S89-K92 WeakPolarHBondContact O-CB 3.37Å; S89-K92 PolarHBondContact O-N 2.87Å; S89-D93 VanDerWaalsContact O-CG 3.25Å; S89-D93 PolarHBondContact O-N 2.91Å
90	K	84.9	Confident	83.3	Confident	67 Å²	67	47.7 Å²	47.7	29%	0.291	28%	0.281	S	S	.	.	H	α-helix	trans	-68.2	-39.7	-178.9	-65	-51.1	-175.6	-172.2	0	113	A86 L87 K92 D93 I94 V151 L157	A86-K90 PolarHBondContact O-N 3.47Å; L87-K90 PolarHBondContact O-N 3.36Å; K90-K92 VanDerWaalsContact C-N 3.31Å; K90-K92 PolarHBondContact O-N 2.93Å; K90-D93 PolarHBondContact O-N 3Å; K90-I94 WeakPolarHBondContact O-CD1 3.32Å; K90-I94 VanDerWaalsContact O-CG1 3.28Å; K90-I94 WeakPolarHBondContact O-CG1 3.49Å; K90-I94 PolarHBondContact O-N 3.21Å; K90-I94 VanDerWaalsContact O-N 3.09Å; K90-V151 HydrophobicContact CB-CG1 4.41Å; K90-V151 HydrophobicContact CD-CG1 3.83Å; K90-V151 HydrophobicContact CG-CG1 4.1Å; K90-L157 HydrophobicContact CG-CD1 4.31Å; K90-L157 HydrophobicContact CG-CD2 4.25Å
91	V	86.3	Confident	83.3	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.012	30%	0.295	C	S	.	.	H	α-helix	trans	-63.6	-39.6	175.2	173.2	0	0	0	0	111.1	L87 I94 F95 C107 L125 L144	L87-V91 WeakPolarHBondContact O-CB 3.31Å; L87-V91 VanDerWaalsContact O-CG2 3.3Å; L87-V91 WeakPolarHBondContact O-CG2 3.33Å; L87-V91 PolarHBondContact O-N 3.13Å; V91-I94 PolarHBondContact O-N 3.42Å; V91-F95 HydrophobicContact CG1-CD2 3.81Å; V91-F95 HydrophobicContact CG1-CE2 3.83Å; V91-F95 WeakPolarHBondContact O-CD2 3.34Å; V91-F95 PolarHBondContact O-N 3.46Å; V91-F95 VanDerWaalsContact O-N 3.17Å; V91-C107 HydrophobicContact CG1-CB 3.89Å; V91-L125 HydrophobicContact CG1-CD2 3.51Å; V91-L144 HydrophobicContact CG1-CD1 4.41Å; V91-L144 HydrophobicContact CG2-CD1 4.21Å
92	K	86.1	Confident	83	Confident	125 Å²	125	54.7 Å²	54.7	54%	0.543	31%	0.313	S	S	.	.	H	α-helix	trans	-61.6	-45.4	174.4	-177.5	178.8	179.4	-178.3	0	111.7	K88 S89 K90 I94 F95 T96 Y104	K88-K92 VanDerWaalsContact O-CB 3.3Å; K88-K92 WeakPolarHBondContact O-CB 3.31Å; K88-K92 PolarHBondContact O-N 2.72Å; S89-K92 WeakPolarHBondContact O-CB 3.37Å; S89-K92 PolarHBondContact O-N 2.87Å; K90-K92 VanDerWaalsContact C-N 3.31Å; K90-K92 PolarHBondContact O-N 2.93Å; K92-I94 VanDerWaalsContact C-N 3.3Å; K92-I94 PolarHBondContact O-N 3.39Å; K92-F95 PolarHBondContact O-N 2.86Å; K92-T96 HydrophobicContact CG-CG2 4.12Å; K92-T96 WeakPolarHBondContact O-CB 3.37Å; K92-T96 VanDerWaalsContact O-CG2 3.24Å; K92-T96 WeakPolarHBondContact O-CG2 3.48Å; K92-T96 PolarHBondContact O-N 3.32Å; K92-T96 PolarHBondContact O-OG1 3.17Å; K92-Y104 HydrophobicContact CG-CE1 4.34Å
93	D	83.3	Confident	82.8	Confident	74 Å²	74	54.1 Å²	54.1	40%	0.396	31%	0.309	S	S	.	.	H	α-helix	trans	-59.6	-41.7	178.2	-63.6	-21.7	0	0	0	111.5	S89 K90 T96 A97	S89-D93 VanDerWaalsContact O-CG 3.25Å; S89-D93 PolarHBondContact O-N 2.91Å; K90-D93 PolarHBondContact O-N 3Å; D93-T96 WeakPolarHBondContact CA-OG1 3.44Å; D93-T96 PolarHBondContact O-OG1 2.62Å; D93-A97 WeakPolarHBondContact O-CB 3.22Å; D93-A97 PolarHBondContact O-N 3.4Å; D93-A97 VanDerWaalsContact O-N 3.13Å
94	I	83.7	Confident	82.7	Confident	14 Å²	14	55.7 Å²	55.7	7%	0.072	32%	0.315	C	S	.	.	H	α-helix	trans	-60.3	-53	178.5	-69.2	162.7	0	0	0	111.4	K90 V91 K92 A97 S98 L144 G147 L148 V151	K90-I94 WeakPolarHBondContact O-CD1 3.32Å; K90-I94 VanDerWaalsContact O-CG1 3.28Å; K90-I94 WeakPolarHBondContact O-CG1 3.49Å; K90-I94 PolarHBondContact O-N 3.21Å; K90-I94 VanDerWaalsContact O-N 3.09Å; V91-I94 PolarHBondContact O-N 3.42Å; K92-I94 VanDerWaalsContact C-N 3.3Å; K92-I94 PolarHBondContact O-N 3.39Å; I94-A97 PolarHBondContact O-N 2.93Å; I94-S98 PolarHBondContact O-N 2.95Å; I94-L144 HydrophobicContact CD1-CD1 4.43Å; I94-G147 VanDerWaalsContact CD1-C 3.41Å; I94-L148 HydrophobicContact CD1-CB 4.41Å; I94-L148 HydrophobicContact CD1-CD2 3.69Å; I94-L148 HydrophobicContact CD1-CG 3.74Å; I94-V151 HydrophobicContact CD1-CG2 4.19Å; I94-V151 HydrophobicContact CG1-CG2 4.03Å
95	F	84.3	Confident	82.7	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-75.9	-31	-174.5	-74.5	-68.4	0	0	0	112.6	V91 K92 A97 S98 I100 S101 Y104 L125 F127 V140 L143 L144	V91-F95 HydrophobicContact CG1-CD2 3.81Å; V91-F95 HydrophobicContact CG1-CE2 3.83Å; V91-F95 WeakPolarHBondContact O-CD2 3.34Å; V91-F95 PolarHBondContact O-N 3.46Å; V91-F95 VanDerWaalsContact O-N 3.17Å; K92-F95 PolarHBondContact O-N 2.86Å; F95-A97 VanDerWaalsContact C-N 3.31Å; F95-A97 PolarHBondContact O-N 2.85Å; F95-S98 PolarHBondContact O-N 2.9Å; F95-S98 PolarHBondContact O-OG 2.71Å; F95-I100 HydrophobicContact CD1-CD1 3.91Å; F95-I100 HydrophobicContact CD1-CG1 4.17Å; F95-I100 HydrophobicContact CE1-CD1 4.01Å; F95-S101 WeakPolarHBondContact O-CA 3.41Å; F95-S101 WeakPolarHBondContact O-CB 3.09Å; F95-Y104 HydrophobicContact CB-CD1 3.92Å; F95-Y104 HydrophobicContact CB-CD2 3.72Å; F95-Y104 HydrophobicContact CB-CE1 4.22Å; F95-Y104 HydrophobicContact CB-CE2 4.02Å; F95-Y104 HydrophobicContact CB-CG 3.64Å; F95-Y104 HydrophobicContact CD2-CD2 4.08Å; F95-Y104 AromaticContact CD2-CE2 3.76Å; F95-Y104 HydrophobicContact CD2-CE2 3.76Å; F95-Y104 AromaticContact CG-CD2 3.89Å; F95-Y104 HydrophobicContact CG-CD2 3.89Å; F95-Y104 HydrophobicContact CG-CE2 4.05Å; F95-Y104 HydrophobicContact CG-CG 4.32Å; F95-L125 HydrophobicContact CE2-CD1 3.65Å; F95-L125 HydrophobicContact CE2-CD2 3.9Å; F95-L125 HydrophobicContact CE2-CG 4.39Å; F95-L125 HydrophobicContact CZ-CD1 3.67Å; F95-F127 HydrophobicContact CD1-CE1 4.02Å; F95-F127 AromaticContact CD1-CZ 3.88Å; F95-F127 HydrophobicContact CD1-CZ 3.88Å; F95-F127 HydrophobicContact CE1-CE1 4.25Å; F95-F127 AromaticContact CE1-CZ 3.71Å; F95-F127 HydrophobicContact CE1-CZ 3.71Å; F95-F127 HydrophobicContact CE2-CZ 4.49Å; F95-F127 HydrophobicContact CG-CZ 4.36Å; F95-F127 HydrophobicContact CZ-CZ 4.04Å; F95-V140 HydrophobicContact CE1-CG1 4.21Å; F95-V140 HydrophobicContact CZ-CG1 4.04Å; F95-L143 HydrophobicContact CD1-CD2 4.02Å; F95-L143 HydrophobicContact CE1-CD2 3.83Å; F95-L143 HydrophobicContact CE1-CG 4.21Å; F95-L144 HydrophobicContact CE2-CD1 3.94Å; F95-L144 HydrophobicContact CZ-CB 4.17Å; F95-L144 HydrophobicContact CZ-CD1 4.3Å
96	T	83.1	Confident	82.6	Confident	73 Å²	73	56.2 Å²	56.2	45%	0.448	32%	0.315	S	S	.	.	H	α-helix	trans	-68.6	-28.2	174	53.3	0	0	0	0	113	K92 D93 S98 S101	K92-T96 HydrophobicContact CG-CG2 4.12Å; K92-T96 WeakPolarHBondContact O-CB 3.37Å; K92-T96 VanDerWaalsContact O-CG2 3.24Å; K92-T96 WeakPolarHBondContact O-CG2 3.48Å; K92-T96 PolarHBondContact O-N 3.32Å; K92-T96 PolarHBondContact O-OG1 3.17Å; D93-T96 WeakPolarHBondContact CA-OG1 3.44Å; D93-T96 PolarHBondContact O-OG1 2.62Å; T96-S98 VanDerWaalsContact C-N 3.33Å; T96-S101 VanDerWaalsContact O-CB 3.31Å; T96-S101 WeakPolarHBondContact O-CB 3.29Å
97	A	76.5	Confident	82.7	Confident	90 Å²	90	56 Å²	56	74%	0.744	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-3.3	173.5	0	0	0	0	0	114.3	D93 I94 F95	D93-A97 WeakPolarHBondContact O-CB 3.22Å; D93-A97 PolarHBondContact O-N 3.4Å; D93-A97 VanDerWaalsContact O-N 3.13Å; I94-A97 PolarHBondContact O-N 2.93Å; F95-A97 VanDerWaalsContact C-N 3.31Å; F95-A97 PolarHBondContact O-N 2.85Å
98	S	80.4	Confident	82.6	Confident	17 Å²	17	57.3 Å²	57.3	12%	0.119	32%	0.321	C	S	.	.	S	Bend	trans	-95.6	169.8	-172.9	79	0	0	0	0	114.3	I94 F95 T96 I100 S101	I94-S98 PolarHBondContact O-N 2.95Å; F95-S98 PolarHBondContact O-N 2.9Å; F95-S98 PolarHBondContact O-OG 2.71Å; T96-S98 VanDerWaalsContact C-N 3.33Å; S98-I100 PolarHBondContact O-N 3.49Å; S98-I100 VanDerWaalsContact OG-CG1 3.29Å; S98-I100 WeakPolarHBondContact OG-CG1 3.36Å; S98-I100 PolarHBondContact OG-N 3.19Å; S98-S101 WeakPolarHBondContact O-CB 3.21Å; S98-S101 PolarHBondContact O-N 3.48Å; S98-S101 PolarHBondContact O-OG 2.91Å; S98-S101 VanDerWaalsContact O-OG 3.13Å
99	S	73.9	Confident	82.3	Confident	105 Å²	105	54.5 Å²	54.5	73%	0.734	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-14.7	175	55.8	0	0	0	0	114.3
100	I	79.5	Confident	82	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.01	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	13.7	178.9	65.1	174.5	0	0	0	113.4	F95 S98 K102 H103 Y104 F127 Y135 F139 L143	F95-I100 HydrophobicContact CD1-CD1 3.91Å; F95-I100 HydrophobicContact CD1-CG1 4.17Å; F95-I100 HydrophobicContact CE1-CD1 4.01Å; S98-I100 PolarHBondContact O-N 3.49Å; S98-I100 VanDerWaalsContact OG-CG1 3.29Å; S98-I100 WeakPolarHBondContact OG-CG1 3.36Å; S98-I100 PolarHBondContact OG-N 3.19Å; I100-K102 PolarHBondContact O-N 3Å; I100-K102 VanDerWaalsContact O-N 3.13Å; I100-H103 PolarHBondContact O-N 2.9Å; I100-Y104 PolarHBondContact O-N 3.46Å; I100-F127 HydrophobicContact CD1-CD1 4.18Å; I100-F127 HydrophobicContact CD1-CE1 3.42Å; I100-F127 VanDerWaalsContact CD1-CE1 3.42Å; I100-F127 HydrophobicContact CD1-CZ 3.98Å; I100-F127 HydrophobicContact CG1-CE1 4.12Å; I100-Y135 HydrophobicContact CB-CE2 4.41Å; I100-Y135 HydrophobicContact CG2-CD1 4.31Å; I100-Y135 HydrophobicContact CG2-CE1 3.66Å; I100-Y135 HydrophobicContact CG2-CE2 3.95Å; I100-Y135 VanDerWaalsContact CG2-CZ 3.46Å; I100-F139 HydrophobicContact CD1-CE1 4.4Å; I100-F139 HydrophobicContact CG2-CE1 3.91Å; I100-F139 HydrophobicContact CG2-CZ 4.32Å; I100-L143 HydrophobicContact CD1-CD2 3.66Å; I100-L143 HydrophobicContact CG1-CD2 3.83Å
101	S	80.3	Confident	81.3	Confident	50 Å²	50	55.2 Å²	55.2	35%	0.35	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-52.4	-34.8	-178.4	52.3	0	0	0	0	114.6	F95 T96 S98 H103	F95-S101 WeakPolarHBondContact O-CA 3.41Å; F95-S101 WeakPolarHBondContact O-CB 3.09Å; T96-S101 VanDerWaalsContact O-CB 3.31Å; T96-S101 WeakPolarHBondContact O-CB 3.29Å; S98-S101 WeakPolarHBondContact O-CB 3.21Å; S98-S101 PolarHBondContact O-N 3.48Å; S98-S101 PolarHBondContact O-OG 2.91Å; S98-S101 VanDerWaalsContact O-OG 3.13Å; S101-H103 VanDerWaalsContact C-N 3.26Å; S101-H103 PolarHBondContact O-N 3.47Å
102	K	76.6	Confident	80.8	Confident	195 Å²	195	56.6 Å²	56.6	85%	0.848	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-70.4	-19.7	178.4	-64.4	-176.4	-179.7	-179.9	0	114.1	I100	I100-K102 PolarHBondContact O-N 3Å; I100-K102 VanDerWaalsContact O-N 3.13Å
103	H	81	Confident	80.3	Confident	54 Å²	54	51.6 Å²	51.6	25%	0.25	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-103.8	-8.5	-177.9	-58	148.7	0	0	0	112.4	I100 S101 F127 R128 V129 Y135	I100-H103 PolarHBondContact O-N 2.9Å; S101-H103 VanDerWaalsContact C-N 3.26Å; S101-H103 PolarHBondContact O-N 3.47Å; H103-F127 CarbonylContact O-C 3.53Å; H103-F127 WeakPolarHBondContact O-CA 3.33Å; H103-F127 WeakPolarHBondContact O-CB 3.41Å; H103-R128 WeakPolarHBondContact CB-O 3.2Å; H103-R128 PolarHBondContact O-N 2.92Å; H103-V129 HydrophobicContact CB-CG1 3.86Å; H103-Y135 HydrophobicContact CB-CE2 4.47Å; H103-Y135 PolarHBondContact CE1-OH 2.84Å; H103-Y135 AromaticContact ND1-CE2 3.64Å; H103-Y135 AromaticContact ND1-CZ 3.7Å; H103-Y135 PolarHBondContact ND1-OH 3.3Å
104	Y	84.3	Confident	79.8	Confident	33 Å²	33	51 Å²	51	13%	0.129	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	120.7	-179.7	176.6	-105.6	0	0	0	111.4	K92 F95 I100 G106 C107 L125 F127	K92-Y104 HydrophobicContact CG-CE1 4.34Å; F95-Y104 HydrophobicContact CB-CD1 3.92Å; F95-Y104 HydrophobicContact CB-CD2 3.72Å; F95-Y104 HydrophobicContact CB-CE1 4.22Å; F95-Y104 HydrophobicContact CB-CE2 4.02Å; F95-Y104 HydrophobicContact CB-CG 3.64Å; F95-Y104 HydrophobicContact CD2-CD2 4.08Å; F95-Y104 AromaticContact CD2-CE2 3.76Å; F95-Y104 HydrophobicContact CD2-CE2 3.76Å; F95-Y104 AromaticContact CG-CD2 3.89Å; F95-Y104 HydrophobicContact CG-CD2 3.89Å; F95-Y104 HydrophobicContact CG-CE2 4.05Å; F95-Y104 HydrophobicContact CG-CG 4.32Å; I100-Y104 PolarHBondContact O-N 3.46Å; Y104-G106 WeakPolarHBondContact CE2-O 3.4Å; Y104-G106 VanDerWaalsContact CZ-C 3.41Å; Y104-G106 PolarHBondContact OH-O 3.09Å; Y104-C107 VanDerWaalsContact OH-CB 3.24Å; Y104-C107 WeakPolarHBondContact OH-CB 3.48Å; Y104-C107 PolarHBondContact OH-N 3.47Å; Y104-L125 HydrophobicContact CE2-CD2 4.49Å; Y104-F127 HydrophobicContact CD2-CD1 4.22Å; Y104-F127 AromaticContact CD2-CE1 3.68Å; Y104-F127 HydrophobicContact CD2-CE1 3.68Å; Y104-F127 AromaticContact CD2-CZ 3.88Å; Y104-F127 HydrophobicContact CD2-CZ 3.88Å; Y104-F127 HydrophobicContact CG-CE1 4.29Å
105	D	84.2	Confident	78.6	Confident	89 Å²	89	53 Å²	53	48%	0.476	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-33.3	-178.8	-155.9	30.6	0	0	0	111.4	F126 R128	D105-F126 HydrophobicContact CB-CB 4.05Å; D105-F126 PolarHBondContact N-O 3.44Å; D105-R128 HydrophobicContact CB-CG 4.38Å; D105-R128 IonicContact OD1-CZ 2.66Å; D105-R128 IonicContact OD1-NE 2.65Å; D105-R128 IonicContact OD1-NH2 2.68Å; D105-R128 PolarHBondContact OD1-NH2 3.47Å; D105-R128 IonicContact OD2-CZ 2.66Å; D105-R128 IonicContact OD2-NE 3.67Å; D105-R128 PolarHBondContact OD2-NE 2.68Å; D105-R128 IonicContact OD2-NH2 2.72Å; D105-R128 PolarHBondContact OD2-NH2 3.16Å
106	G	84.6	Confident	77.7	Confident	16 Å²	16	61.1 Å²	61.1	17%	0.165	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.5	-172.4	175.5	0	0	0	0	0	116.5	Y104 F126	Y104-G106 WeakPolarHBondContact CE2-O 3.4Å; Y104-G106 VanDerWaalsContact CZ-C 3.41Å; Y104-G106 PolarHBondContact OH-O 3.09Å; G106-F126 PolarHBondContact N-O 3.22Å; G106-F126 PolarHBondContact O-N 3.13Å
107	C	87	Confident	76.9	Confident	20 Å²	20	59.5 Å²	59.5	14%	0.135	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	136.6	175.6	175.9	0	0	0	0	111.7	V91 Y104 R124 L125	V91-C107 HydrophobicContact CG1-CB 3.89Å; Y104-C107 VanDerWaalsContact OH-CB 3.24Å; Y104-C107 WeakPolarHBondContact OH-CB 3.48Å; Y104-C107 PolarHBondContact OH-N 3.47Å; C107-R124 CarbonylContact C-O 3.52Å; C107-R124 VanDerWaalsContact CA-O 3.27Å; C107-R124 WeakPolarHBondContact CA-O 3.25Å; C107-L125 HydrophobicContact CB-CD2 3.78Å
108	S	81.6	Confident	76.9	Confident	33 Å²	33	56.6 Å²	56.6	23%	0.231	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	147	169.9	63.5	0	0	0	0	111.1	R124 F126	S108-R124 PolarHBondContact N-O 2.86Å; S108-R124 PolarHBondContact O-N 2.94Å; S108-F126 WeakPolarHBondContact OG-CE2 3.4Å; S108-F126 WeakPolarHBondContact OG-CZ 3.26Å
109	I	82.8	Confident	76.9	Confident	25 Å²	25	55.8 Å²	55.8	13%	0.128	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	127.3	170.5	-65.6	153	0	0	0	107.4	L87 K88 F112 T122 L123	L87-I109 HydrophobicContact CB-CD1 4.1Å; L87-I109 HydrophobicContact CD1-CD1 4.14Å; K88-I109 HydrophobicContact CG-CD1 4.41Å; I109-F112 HydrophobicContact CB-CZ 4.45Å; I109-F112 HydrophobicContact CD1-CZ 4.08Å; I109-F112 HydrophobicContact CG2-CD1 4.46Å; I109-F112 HydrophobicContact CG2-CD2 4.36Å; I109-F112 HydrophobicContact CG2-CE1 3.96Å; I109-F112 HydrophobicContact CG2-CE2 3.84Å; I109-F112 HydrophobicContact CG2-CZ 3.64Å; I109-T122 WeakPolarHBondContact CA-O 3.48Å; I109-L123 HydrophobicContact CD1-CD2 4.45Å; I109-L123 HydrophobicContact CG1-CD2 3.68Å
110	I	76.8	Confident	77.2	Confident	96 Å²	96	52.7 Å²	52.7	49%	0.492	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-40.6	-176.8	-63.5	162.4	0	0	0	110.9	L58 T122 R124	L58-I110 HydrophobicContact CD2-CD1 3.1Å; I110-T122 PolarHBondContact N-O 3.48Å; I110-R124 HydrophobicContact CD1-CB 3.62Å; I110-R124 HydrophobicContact CD1-CG 4.24Å; I110-R124 HydrophobicContact CG1-CB 3.98Å
111	A	71.1	Confident	77.2	Confident	47 Å²	47	52.6 Å²	52.6	39%	0.388	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	150.9	-174.5	0	0	0	0	0	111	T122	A111-T122 PolarHBondContact O-N 3.05Å
112	F	76.6	Confident	77.1	Confident	30 Å²	30	52 Å²	52	13%	0.132	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	149.4	163.6	-65.5	-76.4	0	0	0	109.3	L72 S80 L83 S84 I109 V119 M120 A121	L72-F112 HydrophobicContact CB-CB 3.98Å; L72-F112 HydrophobicContact CB-CD2 4.37Å; L72-F112 HydrophobicContact CB-CG 4.23Å; L72-F112 HydrophobicContact CD2-CG 4.49Å; L72-F112 WeakPolarHBondContact O-CD2 3.16Å; S80-F112 WeakPolarHBondContact OG-CE2 3.46Å; L83-F112 HydrophobicContact CD2-CD1 4.09Å; L83-F112 HydrophobicContact CD2-CE1 3.55Å; L83-F112 HydrophobicContact CD2-CZ 4.14Å; L83-F112 HydrophobicContact CG-CE1 4.01Å; L83-F112 HydrophobicContact CG-CZ 4.3Å; S84-F112 WeakPolarHBondContact OG-CZ 3.42Å; I109-F112 HydrophobicContact CB-CZ 4.45Å; I109-F112 HydrophobicContact CD1-CZ 4.08Å; I109-F112 HydrophobicContact CG2-CD1 4.46Å; I109-F112 HydrophobicContact CG2-CD2 4.36Å; I109-F112 HydrophobicContact CG2-CE1 3.96Å; I109-F112 HydrophobicContact CG2-CE2 3.84Å; I109-F112 HydrophobicContact CG2-CZ 3.64Å; F112-V119 HydrophobicContact CD1-CG1 4.07Å; F112-M120 CarbonylContact C-O 3.56Å; F112-M120 VanDerWaalsContact CA-O 3.23Å; F112-M120 WeakPolarHBondContact CA-O 3.18Å; F112-A121 HydrophobicContact CD1-CB 3.77Å; F112-A121 HydrophobicContact CE1-CB 3.71Å
113	G	75.4	Confident	77.3	Confident	20 Å²	20	42.8 Å²	42.8	21%	0.206	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	-174.4	177	0	0	0	0	0	110.8	Y68 M120	Y68-G113 WeakPolarHBondContact CD2-O 3.38Å; Y68-G113 VanDerWaalsContact CE2-C 3.46Å; Y68-G113 VanDerWaalsContact CE2-O 3.3Å; Y68-G113 WeakPolarHBondContact CE2-O 3.18Å; G113-M120 PolarHBondContact N-O 2.96Å; G113-M120 PolarHBondContact O-N 2.93Å
114	S	72.1	Confident	77.4	Confident	63 Å²	63	44.8 Å²	44.8	44%	0.441	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	143.4	-180	73.5	0	0	0	0	112.8	D118 M120	S114-D118 WeakPolarHBondContact CA-O 3.44Å; S114-M120 WeakPolarHBondContact O-CE 3.33Å
115	K	58.4	Low	77.4	Confident	55 Å²	55	43.3 Å²	43.3	24%	0.239	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	117	173.7	-175.8	179.2	169.6	-151.9	0	108.7	E62 G117 D118 M120	E62-K115 IonicContact OE2-NZ 3.36Å; E62-K115 PolarHBondContact OE2-NZ 3.24Å; K115-G117 PolarHBondContact O-N 3.13Å; K115-G117 VanDerWaalsContact O-N 3.13Å; K115-D118 PolarHBondContact N-O 2.81Å; K115-D118 PolarHBondContact O-N 2.79Å; K115-M120 HydrophobicContact CB-CE 4.02Å; K115-M120 HydrophobicContact CB-CG 3.97Å; K115-M120 HydrophobicContact CB-SD 3.59Å; K115-M120 VanDerWaalsContact CB-SD 3.59Å; K115-M120 HydrophobicContact CD-SD 3.94Å; K115-M120 HydrophobicContact CG-SD 4.4Å
116	H	64.9	Low	77.4	Confident	170 Å²	170	41.9 Å²	41.9	79%	0.787	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	29.4	-174.1	-55	104.7	0	0	0	114.7	D118	H116-D118 VanDerWaalsContact C-N 3.33Å
117	G	66.5	Low	77.4	Confident	40 Å²	40	41.2 Å²	41.2	41%	0.412	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	-6.3	-179.4	0	0	0	0	0	115.3	K67 Y68 K115	K67-G117 WeakPolarHBondContact CA-O 3.24Å; Y68-G117 PolarHBondContact N-O 2.72Å; K115-G117 PolarHBondContact O-N 3.13Å; K115-G117 VanDerWaalsContact O-N 3.13Å
118	D	76	Confident	77	Confident	29 Å²	29	46.3 Å²	46.3	16%	0.155	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	150.4	171.1	-67.3	-43	0	0	0	110.9	K64 L66 S114 K115 H116	K64-D118 HydrophobicContact CD-CB 4.43Å; K64-D118 WeakPolarHBondContact CD-OD2 3.35Å; K64-D118 IonicContact NZ-OD2 3.5Å; K64-D118 PolarHBondContact NZ-OD2 3.2Å; L66-D118 WeakPolarHBondContact O-CA 3.35Å; S114-D118 WeakPolarHBondContact CA-O 3.44Å; K115-D118 PolarHBondContact N-O 2.81Å; K115-D118 PolarHBondContact O-N 2.79Å; H116-D118 VanDerWaalsContact C-N 3.33Å
119	V	81.1	Confident	76.6	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	130.8	178.5	178.4	0	0	0	0	110.9	L63 L66 Y68 L72 L83 F112	L63-V119 HydrophobicContact CB-CB 4.44Å; L63-V119 WeakPolarHBondContact CB-O 3.44Å; L63-V119 HydrophobicContact CD1-CB 4.41Å; L63-V119 HydrophobicContact CD1-CG1 4.06Å; L63-V119 PolarHBondContact N-O 3.33Å; L66-V119 HydrophobicContact CB-CG2 4.39Å; L66-V119 HydrophobicContact CD2-CB 4.36Å; L66-V119 HydrophobicContact CD2-CG2 4.04Å; L66-V119 HydrophobicContact CG-CG2 4.11Å; L66-V119 PolarHBondContact O-N 3.14Å; L66-V119 VanDerWaalsContact O-N 3.12Å; Y68-V119 HydrophobicContact CD2-CG2 4.31Å; L72-V119 HydrophobicContact CD1-CB 4.41Å; L72-V119 HydrophobicContact CD1-CG1 3.83Å; L72-V119 HydrophobicContact CD1-CG2 3.59Å; L83-V119 HydrophobicContact CD2-CG1 3.97Å; F112-V119 HydrophobicContact CD1-CG1 4.07Å
120	M	80.7	Confident	75.5	Confident	40 Å²	40	46.1 Å²	46.1	20%	0.197	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	143.5	164.8	-63.2	-167.9	-62.8	0	0	110.2	T60 V61 F112 G113 S114 K115 L171	T60-M120 HydrophobicContact CG2-CB 4.37Å; V61-M120 CarbonylContact O-C 3.55Å; V61-M120 VanDerWaalsContact O-CA 3.29Å; V61-M120 WeakPolarHBondContact O-CA 3.24Å; F112-M120 CarbonylContact C-O 3.56Å; F112-M120 VanDerWaalsContact CA-O 3.23Å; F112-M120 WeakPolarHBondContact CA-O 3.18Å; G113-M120 PolarHBondContact N-O 2.96Å; G113-M120 PolarHBondContact O-N 2.93Å; S114-M120 WeakPolarHBondContact O-CE 3.33Å; K115-M120 HydrophobicContact CB-CE 4.02Å; K115-M120 HydrophobicContact CB-CG 3.97Å; K115-M120 HydrophobicContact CB-SD 3.59Å; K115-M120 VanDerWaalsContact CB-SD 3.59Å; K115-M120 HydrophobicContact CD-SD 3.94Å; K115-M120 HydrophobicContact CG-SD 4.4Å; M120-L171 HydrophobicContact CG-CD1 4.43Å; M120-L171 HydrophobicContact SD-CD1 3.6Å
121	A	78.4	Confident	74.3	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	129.8	174.5	0	0	0	0	0	110.4	T60 V61 L63 L87 F112	T60-A121 WeakPolarHBondContact CA-O 3.2Å; V61-A121 HydrophobicContact CG2-CB 4.11Å; V61-A121 WeakPolarHBondContact CG2-O 3.35Å; V61-A121 PolarHBondContact N-O 3.49Å; V61-A121 PolarHBondContact O-N 3.38Å; L63-A121 HydrophobicContact CD1-CB 4.39Å; L87-A121 HydrophobicContact CD1-CB 4.13Å; F112-A121 HydrophobicContact CD1-CB 3.77Å; F112-A121 HydrophobicContact CE1-CB 3.71Å
122	T	79.7	Confident	73.4	Confident	36 Å²	36	53.4 Å²	53.4	22%	0.221	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	116	174.4	-57.3	0	0	0	0	109.7	T60 I109 I110 A111	T60-T122 PolarHBondContact OG1-OG1 2.86Å; I109-T122 WeakPolarHBondContact CA-O 3.48Å; I110-T122 PolarHBondContact N-O 3.48Å; A111-T122 PolarHBondContact O-N 3.05Å
123	L	80.5	Confident	72.3	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.01	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	135	-178.1	-61	157.1	0	0	0	109.3	L58 E59 V61 I109 L144	L58-L123 WeakPolarHBondContact CA-O 3.3Å; E59-L123 PolarHBondContact N-O 3.32Å; E59-L123 PolarHBondContact O-N 2.89Å; V61-L123 HydrophobicContact CG1-CD1 3.83Å; V61-L123 HydrophobicContact CG2-CD1 3.87Å; I109-L123 HydrophobicContact CD1-CD2 4.45Å; I109-L123 HydrophobicContact CG1-CD2 3.68Å; L123-L144 HydrophobicContact CD1-CD2 4.35Å
124	R	82.9	Confident	71.6	Confident	96 Å²	96	63.5 Å²	63.5	36%	0.362	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	121.8	163.9	-167.8	176.9	-177.2	173.3	3.2	108.4	D56 F57 L58 C107 S108 I110 F126	D56-R124 HydrophobicContact CB-CG 4.28Å; D56-R124 IonicContact OD2-CZ 3.59Å; D56-R124 IonicContact OD2-NE 3.85Å; D56-R124 PolarHBondContact OD2-NE 3.09Å; D56-R124 IonicContact OD2-NH2 2.65Å; D56-R124 PolarHBondContact OD2-NH2 3.16Å; F57-R124 CarbonylContact O-C 3.5Å; F57-R124 WeakPolarHBondContact O-CA 3.35Å; L58-R124 HydrophobicContact CD2-CB 3.85Å; L58-R124 HydrophobicContact CD2-CG 3.84Å; C107-R124 CarbonylContact C-O 3.52Å; C107-R124 VanDerWaalsContact CA-O 3.27Å; C107-R124 WeakPolarHBondContact CA-O 3.25Å; S108-R124 PolarHBondContact N-O 2.86Å; S108-R124 PolarHBondContact O-N 2.94Å; I110-R124 HydrophobicContact CD1-CB 3.62Å; I110-R124 HydrophobicContact CD1-CG 4.24Å; I110-R124 HydrophobicContact CG1-CB 3.98Å; R124-F126 HydrophobicContact CB-CZ 4.33Å; R124-F126 HydrophobicContact CG-CE1 3.97Å; R124-F126 HydrophobicContact CG-CE2 4.38Å; R124-F126 HydrophobicContact CG-CZ 3.84Å
125	L	84.6	Confident	71.3	Confident	3 Å²	3	62.3 Å²	62.3	2%	0.016	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	130.8	177.2	-55.5	173.6	0	0	0	108.8	D56 F57 V91 F95 Y104 C107 F127 V140 L144	D56-L125 VanDerWaalsContact CA-O 3.31Å; D56-L125 WeakPolarHBondContact CA-O 3.1Å; F57-L125 HydrophobicContact CB-CB 4.4Å; F57-L125 PolarHBondContact N-O 3.12Å; F57-L125 PolarHBondContact O-N 2.83Å; V91-L125 HydrophobicContact CG1-CD2 3.51Å; F95-L125 HydrophobicContact CE2-CD1 3.65Å; F95-L125 HydrophobicContact CE2-CD2 3.9Å; F95-L125 HydrophobicContact CE2-CG 4.39Å; F95-L125 HydrophobicContact CZ-CD1 3.67Å; Y104-L125 HydrophobicContact CE2-CD2 4.49Å; C107-L125 HydrophobicContact CB-CD2 3.78Å; L125-F127 HydrophobicContact CB-CD2 4.33Å; L125-F127 HydrophobicContact CB-CE2 3.59Å; L125-F127 HydrophobicContact CB-CZ 4.35Å; L125-F127 HydrophobicContact CD1-CE2 4.34Å; L125-V140 HydrophobicContact CD1-CG1 3.89Å; L125-L144 HydrophobicContact CD1-CD2 4.34Å
126	F	84.8	Confident	71.8	Confident	58 Å²	58	63 Å²	63	25%	0.254	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	126.4	-178.4	-56	-83.7	0	0	0	109.6	D56 D105 G106 S108 R124	D56-F126 WeakPolarHBondContact OD1-CD1 3.31Å; D105-F126 HydrophobicContact CB-CB 4.05Å; D105-F126 PolarHBondContact N-O 3.44Å; G106-F126 PolarHBondContact N-O 3.22Å; G106-F126 PolarHBondContact O-N 3.13Å; S108-F126 WeakPolarHBondContact OG-CE2 3.4Å; S108-F126 WeakPolarHBondContact OG-CZ 3.26Å; R124-F126 HydrophobicContact CB-CZ 4.33Å; R124-F126 HydrophobicContact CG-CE1 3.97Å; R124-F126 HydrophobicContact CG-CE2 4.38Å; R124-F126 HydrophobicContact CG-CZ 3.84Å
127	F	82.9	Confident	71.8	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.009	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	144.2	172.8	-61	-95.6	0	0	0	111.1	H55 F57 F95 I100 H103 Y104 L125 V129 V140	H55-F127 PolarHBondContact N-O 2.82Å; H55-F127 PolarHBondContact O-N 3.03Å; F57-F127 AromaticContact CD2-CD2 3.45Å; F57-F127 HydrophobicContact CD2-CD2 3.45Å; F57-F127 VanDerWaalsContact CD2-CD2 3.45Å; F57-F127 AromaticContact CD2-CE2 3.67Å; F57-F127 HydrophobicContact CD2-CE2 3.67Å; F57-F127 AromaticContact CE2-CD2 3.58Å; F57-F127 HydrophobicContact CE2-CD2 3.58Å; F57-F127 HydrophobicContact CE2-CE2 4.06Å; F57-F127 HydrophobicContact CE2-CG 4.32Å; F95-F127 HydrophobicContact CD1-CE1 4.02Å; F95-F127 AromaticContact CD1-CZ 3.88Å; F95-F127 HydrophobicContact CD1-CZ 3.88Å; F95-F127 HydrophobicContact CE1-CE1 4.25Å; F95-F127 AromaticContact CE1-CZ 3.71Å; F95-F127 HydrophobicContact CE1-CZ 3.71Å; F95-F127 HydrophobicContact CE2-CZ 4.49Å; F95-F127 HydrophobicContact CG-CZ 4.36Å; F95-F127 HydrophobicContact CZ-CZ 4.04Å; I100-F127 HydrophobicContact CD1-CD1 4.18Å; I100-F127 HydrophobicContact CD1-CE1 3.42Å; I100-F127 VanDerWaalsContact CD1-CE1 3.42Å; I100-F127 HydrophobicContact CD1-CZ 3.98Å; I100-F127 HydrophobicContact CG1-CE1 4.12Å; H103-F127 CarbonylContact O-C 3.53Å; H103-F127 WeakPolarHBondContact O-CA 3.33Å; H103-F127 WeakPolarHBondContact O-CB 3.41Å; Y104-F127 HydrophobicContact CD2-CD1 4.22Å; Y104-F127 AromaticContact CD2-CE1 3.68Å; Y104-F127 HydrophobicContact CD2-CE1 3.68Å; Y104-F127 AromaticContact CD2-CZ 3.88Å; Y104-F127 HydrophobicContact CD2-CZ 3.88Å; Y104-F127 HydrophobicContact CG-CE1 4.29Å; L125-F127 HydrophobicContact CB-CD2 4.33Å; L125-F127 HydrophobicContact CB-CE2 3.59Å; L125-F127 HydrophobicContact CB-CZ 4.35Å; L125-F127 HydrophobicContact CD1-CE2 4.34Å; F127-V129 HydrophobicContact CB-CG1 4.43Å; F127-V140 HydrophobicContact CE2-CG1 3.88Å; F127-V140 HydrophobicContact CZ-CG1 3.96Å
128	R	79.4	Confident	71.6	Confident	128 Å²	128	63.3 Å²	63.3	48%	0.483	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	111.7	169.6	-66.4	-173.6	-166.2	-176.7	8.4	108.9	H103 D105	H103-R128 WeakPolarHBondContact CB-O 3.2Å; H103-R128 PolarHBondContact O-N 2.92Å; D105-R128 HydrophobicContact CB-CG 4.38Å; D105-R128 IonicContact OD1-CZ 2.66Å; D105-R128 IonicContact OD1-NE 2.65Å; D105-R128 IonicContact OD1-NH2 2.68Å; D105-R128 PolarHBondContact OD1-NH2 3.47Å; D105-R128 IonicContact OD2-CZ 2.66Å; D105-R128 IonicContact OD2-NE 3.67Å; D105-R128 PolarHBondContact OD2-NE 2.68Å; D105-R128 IonicContact OD2-NH2 2.72Å; D105-R128 PolarHBondContact OD2-NH2 3.16Å
129	V	72.2	Confident	71.3	Confident	12 Å²	12	65.7 Å²	65.7	7%	0.073	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	149.3	-175.2	-69.6	0	0	0	0	110.9	E53 H55 H103 F127 Y135	E53-V129 PolarHBondContact N-O 2.86Å; H55-V129 HydrophobicContact CB-CG2 4.08Å; H103-V129 HydrophobicContact CB-CG1 3.86Å; F127-V129 HydrophobicContact CB-CG1 4.43Å; V129-Y135 HydrophobicContact CG1-CD2 3.82Å; V129-Y135 HydrophobicContact CG1-CE2 3.52Å
130	S	59.8	Low	71	Confident	41 Å²	41	65.9 Å²	65.9	29%	0.287	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	149.8	176.8	-38.1	0	0	0	0	111.4	I132 Q133	S130-I132 PolarHBondContact O-N 3.31Å; S130-Q133 PolarHBondContact O-N 2.99Å
131	K	53.3	Low	70.2	Confident	126 Å²	126	64.4 Å²	64.4	55%	0.548	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-18.2	-179	-98.1	-179.6	177.2	147.3	0	117.2	E53	E53-K131 VanDerWaalsContact OE1-CE 3.25Å; E53-K131 WeakPolarHBondContact OE1-CE 3.37Å; E53-K131 IonicContact OE1-NZ 2.7Å; E53-K131 PolarHBondContact OE1-NZ 2.81Å; E53-K131 IonicContact OE2-NZ 3.55Å
132	I	50.2	Low	69.6	Low	170 Å²	170	68.5 Å²	68.5	87%	0.872	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-18.4	-177	-61.1	167.2	0	0	0	111.7	S130	S130-I132 PolarHBondContact O-N 3.31Å
133	Q	54.4	Low	69.3	Low	116 Å²	116	68.7 Å²	68.7	54%	0.542	34%	0.337	S	S	.	.			trans	-124.7	76.7	-174.2	-164.9	159.3	1.9	0	0	110	S130	S130-Q133 PolarHBondContact O-N 2.99Å
134	Q	60.2	Low	69	Low	147 Å²	147	68.7 Å²	68.7	69%	0.687	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-84.2	134.5	172.2	-73.9	178.3	-24.4	0	0	110.4
135	Y	67.4	Low	68.5	Low	38 Å²	38	70 Å²	70	15%	0.149	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-90	136.4	168.4	-61.5	-64	0	0	0	109.1	I100 H103 V129 F139	I100-Y135 HydrophobicContact CB-CE2 4.41Å; I100-Y135 HydrophobicContact CG2-CD1 4.31Å; I100-Y135 HydrophobicContact CG2-CE1 3.66Å; I100-Y135 HydrophobicContact CG2-CE2 3.95Å; I100-Y135 VanDerWaalsContact CG2-CZ 3.46Å; H103-Y135 HydrophobicContact CB-CE2 4.47Å; H103-Y135 PolarHBondContact CE1-OH 2.84Å; H103-Y135 AromaticContact ND1-CE2 3.64Å; H103-Y135 AromaticContact ND1-CZ 3.7Å; H103-Y135 PolarHBondContact ND1-OH 3.3Å; V129-Y135 HydrophobicContact CG1-CD2 3.82Å; V129-Y135 HydrophobicContact CG1-CE2 3.52Å; Y135-F139 AromaticContact CD1-CD1 3.8Å; Y135-F139 HydrophobicContact CD1-CD1 3.8Å; Y135-F139 AromaticContact CD1-CE1 3.66Å; Y135-F139 HydrophobicContact CD1-CE1 3.66Å; Y135-F139 HydrophobicContact CE1-CE1 4.13Å; Y135-F139 HydrophobicContact CG-CD1 4.2Å; Y135-F139 HydrophobicContact CG-CE1 4.29Å
136	S	68.1	Low	67.5	Low	70 Å²	70	72.8 Å²	72.8	49%	0.49	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-73.7	147.7	175.1	61.6	0	0	0	0	110.9	N138 F139 V140	S136-N138 PolarHBondContact O-N 3.39Å; S136-F139 WeakPolarHBondContact O-CB 3.19Å; S136-F139 PolarHBondContact O-N 3.5Å; S136-F139 VanDerWaalsContact OG-CB 3.31Å; S136-F139 WeakPolarHBondContact OG-CB 3.4Å; S136-F139 PolarHBondContact OG-N 3.39Å; S136-V140 PolarHBondContact O-N 2.9Å; S136-V140 VanDerWaalsContact O-N 3.15Å
137	D	63.7	Low	66.9	Low	90 Å²	90	70.6 Å²	70.6	48%	0.481	36%	0.359	S	S	.	.	H	α-helix	trans	-53	-39	175.5	-59.9	-15.1	0	0	0	111.5	F57 F139 V140 G141	F57-D137 WeakPolarHBondContact CD1-OD1 3.43Å; F57-D137 WeakPolarHBondContact CE1-OD1 3.17Å; D137-F139 PolarHBondContact O-N 2.96Å; D137-V140 PolarHBondContact O-N 3.44Å; D137-G141 PolarHBondContact O-N 3.38Å
138	N	62.9	Low	66.3	Low	125 Å²	125	71.1 Å²	71.1	67%	0.668	36%	0.362	S	S	*	.	H	α-helix	trans	-62.8	-40.3	176.3	-64.7	-16.7	0	0	0	112.2	S136 G141 D142	S136-N138 PolarHBondContact O-N 3.39Å; N138-G141 PolarHBondContact O-N 3.39Å; N138-D142 VanDerWaalsContact O-CB 3.26Å; N138-D142 WeakPolarHBondContact O-CB 3.45Å; N138-D142 PolarHBondContact O-N 2.74Å
139	F	70.5	Confident	65.6	Low	80 Å²	80	69 Å²	69	35%	0.351	37%	0.367	S	S	.	.	H	α-helix	trans	-66.6	-43.9	178.6	173	-97.4	0	0	0	111.9	I100 Y135 S136 D137 L143	I100-F139 HydrophobicContact CD1-CE1 4.4Å; I100-F139 HydrophobicContact CG2-CE1 3.91Å; I100-F139 HydrophobicContact CG2-CZ 4.32Å; Y135-F139 AromaticContact CD1-CD1 3.8Å; Y135-F139 HydrophobicContact CD1-CD1 3.8Å; Y135-F139 AromaticContact CD1-CE1 3.66Å; Y135-F139 HydrophobicContact CD1-CE1 3.66Å; Y135-F139 HydrophobicContact CE1-CE1 4.13Å; Y135-F139 HydrophobicContact CG-CD1 4.2Å; Y135-F139 HydrophobicContact CG-CE1 4.29Å; S136-F139 WeakPolarHBondContact O-CB 3.19Å; S136-F139 PolarHBondContact O-N 3.5Å; S136-F139 VanDerWaalsContact OG-CB 3.31Å; S136-F139 WeakPolarHBondContact OG-CB 3.4Å; S136-F139 PolarHBondContact OG-N 3.39Å; D137-F139 PolarHBondContact O-N 2.96Å; F139-L143 WeakPolarHBondContact O-CB 3.04Å; F139-L143 PolarHBondContact O-N 3.32Å
140	V	73.8	Confident	65.4	Low	3 Å²	3	71.7 Å²	71.7	2%	0.018	39%	0.386	C	S	.	.	H	α-helix	trans	-67.9	-39.5	177.3	-179.6	0	0	0	0	110.8	F57 F95 L125 F127 S136 D137 L143 L144	F57-V140 HydrophobicContact CB-CG1 4.47Å; F57-V140 HydrophobicContact CD1-CB 4.42Å; F57-V140 HydrophobicContact CD1-CG2 4.33Å; F57-V140 HydrophobicContact CD2-CG1 4.43Å; F57-V140 HydrophobicContact CD2-CG2 4.36Å; F57-V140 HydrophobicContact CE1-CG2 4.03Å; F57-V140 HydrophobicContact CE2-CG2 4.07Å; F57-V140 HydrophobicContact CG-CG1 4.29Å; F57-V140 HydrophobicContact CG-CG2 4.46Å; F57-V140 HydrophobicContact CZ-CG2 3.87Å; F95-V140 HydrophobicContact CE1-CG1 4.21Å; F95-V140 HydrophobicContact CZ-CG1 4.04Å; L125-V140 HydrophobicContact CD1-CG1 3.89Å; F127-V140 HydrophobicContact CE2-CG1 3.88Å; F127-V140 HydrophobicContact CZ-CG1 3.96Å; S136-V140 PolarHBondContact O-N 2.9Å; S136-V140 VanDerWaalsContact O-N 3.15Å; D137-V140 PolarHBondContact O-N 3.44Å; V140-L143 PolarHBondContact O-N 2.87Å; V140-L144 WeakPolarHBondContact O-CB 3.47Å; V140-L144 PolarHBondContact O-N 3.15Å
141	G	64.1	Low	65.6	Low	10 Å²	10	72.3 Å²	72.3	10%	0.103	39%	0.388	C	S	.	.	H	α-helix	trans	-65.4	-42.6	175.9	0	0	0	0	0	113.5	D137 N138 L144 R145	D137-G141 PolarHBondContact O-N 3.38Å; N138-G141 PolarHBondContact O-N 3.39Å; G141-L144 PolarHBondContact O-N 3.28Å; G141-R145 WeakPolarHBondContact O-CB 3.03Å; G141-R145 PolarHBondContact O-N 3.46Å
142	D	66.1	Low	66.1	Low	85 Å²	85	67.4 Å²	67.4	46%	0.455	37%	0.367	S	S	.	.	H	α-helix	trans	-68.7	-36.5	177.1	-72.6	-25.2	0	0	0	111.6	N138 R145 A146	N138-D142 VanDerWaalsContact O-CB 3.26Å; N138-D142 WeakPolarHBondContact O-CB 3.45Å; N138-D142 PolarHBondContact O-N 2.74Å; D142-R145 WeakPolarHBondContact O-CB 3.13Å; D142-R145 PolarHBondContact O-N 2.87Å; D142-R145 IonicContact OD1-CZ 2.63Å; D142-R145 IonicContact OD1-NH1 2.62Å; D142-R145 PolarHBondContact OD1-NH1 2.98Å; D142-A146 WeakPolarHBondContact O-CB 3.28Å; D142-A146 PolarHBondContact O-N 3.18Å
143	L	72.8	Confident	66.3	Low	41 Å²	41	66.2 Å²	66.2	22%	0.215	36%	0.358	C	S	.	.	H	α-helix	trans	-66.5	-41.6	174	-174.1	62	0	0	0	111.7	F95 I100 F139 V140 R145 G147	F95-L143 HydrophobicContact CD1-CD2 4.02Å; F95-L143 HydrophobicContact CE1-CD2 3.83Å; F95-L143 HydrophobicContact CE1-CG 4.21Å; I100-L143 HydrophobicContact CD1-CD2 3.66Å; I100-L143 HydrophobicContact CG1-CD2 3.83Å; F139-L143 WeakPolarHBondContact O-CB 3.04Å; F139-L143 PolarHBondContact O-N 3.32Å; V140-L143 PolarHBondContact O-N 2.87Å; L143-R145 VanDerWaalsContact C-N 3.34Å; L143-G147 PolarHBondContact O-N 3.41Å
144	L	74.8	Confident	66.3	Low	1 Å²	1	64.8 Å²	64.8	1%	0.005	38%	0.375	C	S	.	.	H	α-helix	trans	-64.4	-38.9	173.1	-175.4	63.2	0	0	0	111.4	E59 V91 I94 F95 L123 L125 V140 G141 G147 L148 L170	E59-L144 HydrophobicContact CB-CD2 4.4Å; E59-L144 HydrophobicContact CG-CD2 4.17Å; V91-L144 HydrophobicContact CG1-CD1 4.41Å; V91-L144 HydrophobicContact CG2-CD1 4.21Å; I94-L144 HydrophobicContact CD1-CD1 4.43Å; F95-L144 HydrophobicContact CE2-CD1 3.94Å; F95-L144 HydrophobicContact CZ-CB 4.17Å; F95-L144 HydrophobicContact CZ-CD1 4.3Å; L123-L144 HydrophobicContact CD1-CD2 4.35Å; L125-L144 HydrophobicContact CD1-CD2 4.34Å; V140-L144 WeakPolarHBondContact O-CB 3.47Å; V140-L144 PolarHBondContact O-N 3.15Å; G141-L144 PolarHBondContact O-N 3.28Å; L144-G147 PolarHBondContact O-N 3.06Å; L144-L148 HydrophobicContact CD1-CD1 3.8Å; L144-L148 HydrophobicContact CD1-CG 4.02Å; L144-L148 HydrophobicContact CD2-CD1 4.42Å; L144-L148 HydrophobicContact CG-CD1 3.77Å; L144-L148 HydrophobicContact CG-CG 4.37Å; L144-L148 WeakPolarHBondContact O-CB 3.09Å; L144-L148 WeakPolarHBondContact O-CG 3.47Å; L144-L148 PolarHBondContact O-N 3.25Å; L144-L170 HydrophobicContact CB-CD2 4.26Å; L144-L170 HydrophobicContact CD2-CD2 3.65Å; L144-L170 HydrophobicContact CG-CD2 3.92Å
145	R	71.7	Confident	66.2	Low	124 Å²	124	65.9 Å²	65.9	47%	0.468	38%	0.377	S	S	.	.	H	α-helix	trans	-61.8	-52	175.7	-168.6	179.1	-65.3	133.7	5.6	112.1	G141 D142 L143 G147 S149 L170	G141-R145 WeakPolarHBondContact O-CB 3.03Å; G141-R145 PolarHBondContact O-N 3.46Å; D142-R145 WeakPolarHBondContact O-CB 3.13Å; D142-R145 PolarHBondContact O-N 2.87Å; D142-R145 IonicContact OD1-CZ 2.63Å; D142-R145 IonicContact OD1-NH1 2.62Å; D142-R145 PolarHBondContact OD1-NH1 2.98Å; L143-R145 VanDerWaalsContact C-N 3.34Å; R145-G147 VanDerWaalsContact C-N 3.32Å; R145-G147 PolarHBondContact O-N 3.42Å; R145-S149 VanDerWaalsContact O-CB 3.22Å; R145-S149 WeakPolarHBondContact O-CB 3.4Å; R145-S149 PolarHBondContact O-N 2.93Å; R145-L170 VanDerWaalsContact CA-CD1 3.47Å; R145-L170 HydrophobicContact CB-CD1 3.58Å; R145-L170 HydrophobicContact CG-CD1 3.65Å
146	A	65.3	Low	66.4	Low	62 Å²	62	66.8 Å²	66.8	51%	0.512	39%	0.388	S	S	.	.	H	α-helix	trans	-62.6	-41.3	178.6	0	0	0	0	0	111.2	D142 S150	D142-A146 WeakPolarHBondContact O-CB 3.28Å; D142-A146 PolarHBondContact O-N 3.18Å; A146-S150 VanDerWaalsContact O-CB 3.32Å; A146-S150 WeakPolarHBondContact O-CB 3.29Å; A146-S150 PolarHBondContact O-N 2.81Å
147	G	72.1	Confident	66.9	Low	12 Å²	12	65 Å²	65	12%	0.124	37%	0.372	C	S	.	.	H	α-helix	trans	-65.7	-48.6	178.5	0	0	0	0	0	113.6	I94 L143 L144 R145 S149 S150 V151	I94-G147 VanDerWaalsContact CD1-C 3.41Å; L143-G147 PolarHBondContact O-N 3.41Å; L144-G147 PolarHBondContact O-N 3.06Å; R145-G147 VanDerWaalsContact C-N 3.32Å; R145-G147 PolarHBondContact O-N 3.42Å; G147-S149 VanDerWaalsContact C-N 3.34Å; G147-S149 PolarHBondContact O-N 3.49Å; G147-S150 WeakPolarHBondContact O-CB 3.13Å; G147-S150 PolarHBondContact O-N 2.81Å; G147-V151 VanDerWaalsContact O-CG2 3.31Å; G147-V151 WeakPolarHBondContact O-CG2 3.38Å; G147-V151 PolarHBondContact O-N 3.3Å
148	L	69.8	Low	67.6	Low	12 Å²	12	66.9 Å²	66.9	6%	0.063	38%	0.378	C	S	.	.	H	α-helix	trans	-66.6	-37.1	178.5	-72.2	169.4	0	0	0	111.7	I94 L144 S150 V151 L152 V168	I94-L148 HydrophobicContact CD1-CB 4.41Å; I94-L148 HydrophobicContact CD1-CD2 3.69Å; I94-L148 HydrophobicContact CD1-CG 3.74Å; L144-L148 HydrophobicContact CD1-CD1 3.8Å; L144-L148 HydrophobicContact CD1-CG 4.02Å; L144-L148 HydrophobicContact CD2-CD1 4.42Å; L144-L148 HydrophobicContact CG-CD1 3.77Å; L144-L148 HydrophobicContact CG-CG 4.37Å; L144-L148 WeakPolarHBondContact O-CB 3.09Å; L144-L148 WeakPolarHBondContact O-CG 3.47Å; L144-L148 PolarHBondContact O-N 3.25Å; L148-S150 VanDerWaalsContact C-N 3.33Å; L148-V151 PolarHBondContact O-N 2.88Å; L148-L152 WeakPolarHBondContact O-CD1 3.38Å; L148-L152 WeakPolarHBondContact O-CG 3.29Å; L148-L152 PolarHBondContact O-N 3.49Å; L148-V168 HydrophobicContact CD1-CG1 3.92Å
149	S	65.4	Low	68.5	Low	84 Å²	84	61 Å²	61	59%	0.587	35%	0.347	S	S	*	.	H	α-helix	trans	-63	-40.1	172.3	-176.9	0	0	0	0	111.6	R145 G147 L152	R145-S149 VanDerWaalsContact O-CB 3.22Å; R145-S149 WeakPolarHBondContact O-CB 3.4Å; R145-S149 PolarHBondContact O-N 2.93Å; G147-S149 VanDerWaalsContact C-N 3.34Å; G147-S149 PolarHBondContact O-N 3.49Å; S149-L152 PolarHBondContact O-N 2.83Å
150	S	67.3	Low	68.7	Low	68 Å²	68	61.5 Å²	61.5	48%	0.476	36%	0.358	S	S	.	.	H	α-helix	trans	-66.9	-37.7	175.5	-173	0	0	0	0	113	A146 G147 L148 L152 H153	A146-S150 VanDerWaalsContact O-CB 3.32Å; A146-S150 WeakPolarHBondContact O-CB 3.29Å; A146-S150 PolarHBondContact O-N 2.81Å; G147-S150 WeakPolarHBondContact O-CB 3.13Å; G147-S150 PolarHBondContact O-N 2.81Å; L148-S150 VanDerWaalsContact C-N 3.33Å; S150-L152 VanDerWaalsContact C-N 3.26Å; S150-L152 PolarHBondContact O-N 3.03Å; S150-H153 VanDerWaalsContact C-CD2 3.44Å; S150-H153 WeakPolarHBondContact CA-CD2 3.25Å; S150-H153 PolarHBondContact O-CD2 3.16Å
151	V	64.1	Low	68.7	Low	55 Å²	55	65.2 Å²	65.2	33%	0.333	40%	0.397	S	S	.	.	H	α-helix	trans	-66.7	-29.5	177.5	169.1	0	0	0	0	112	K90 I94 G147 L148	K90-V151 HydrophobicContact CB-CG1 4.41Å; K90-V151 HydrophobicContact CD-CG1 3.83Å; K90-V151 HydrophobicContact CG-CG1 4.1Å; I94-V151 HydrophobicContact CD1-CG2 4.19Å; I94-V151 HydrophobicContact CG1-CG2 4.03Å; G147-V151 VanDerWaalsContact O-CG2 3.31Å; G147-V151 WeakPolarHBondContact O-CG2 3.38Å; G147-V151 PolarHBondContact O-N 3.3Å; L148-V151 PolarHBondContact O-N 2.88Å
152	L	62.7	Low	69.3	Low	22 Å²	22	68.8 Å²	68.8	12%	0.115	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-0.9	-173.7	-69.4	166.8	0	0	0	114.9	L148 S149 S150 G154 K155 L157 V168	L148-L152 WeakPolarHBondContact O-CD1 3.38Å; L148-L152 WeakPolarHBondContact O-CG 3.29Å; L148-L152 PolarHBondContact O-N 3.49Å; S149-L152 PolarHBondContact O-N 2.83Å; S150-L152 VanDerWaalsContact C-N 3.26Å; S150-L152 PolarHBondContact O-N 3.03Å; L152-G154 VanDerWaalsContact C-N 3.28Å; L152-G154 CarbonylContact O-C 3.52Å; L152-G154 WeakPolarHBondContact O-CA 3.39Å; L152-G154 PolarHBondContact O-N 2.03Å; L152-K155 PolarHBondContact O-N 3.01Å; L152-L157 HydrophobicContact CD2-CB 4Å; L152-V168 HydrophobicContact CD1-CB 3.95Å; L152-V168 HydrophobicContact CD1-CG2 3.72Å
153	H	56.2	Low	70	Confident	145 Å²	145	66.3 Å²	66.3	67%	0.671	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-20.4	72.5	-179.4	-90.7	-136.4	0	0	0	116.1	S150 K155	S150-H153 VanDerWaalsContact C-CD2 3.44Å; S150-H153 WeakPolarHBondContact CA-CD2 3.25Å; S150-H153 PolarHBondContact O-CD2 3.16Å; H153-K155 PolarHBondContact O-N 2.86Å; H153-K155 VanDerWaalsContact O-N 3.09Å
154	G	53.7	Low	70.4	Confident	87 Å²	87	68.6 Å²	68.6	90%	0.897	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	9.8	-175	0	0	0	0	0	117.3	L152	L152-G154 VanDerWaalsContact C-N 3.28Å; L152-G154 CarbonylContact O-C 3.52Å; L152-G154 WeakPolarHBondContact O-CA 3.39Å; L152-G154 PolarHBondContact O-N 2.03Å
155	K	57.4	Low	70.6	Confident	169 Å²	169	68.5 Å²	68.5	74%	0.735	41%	0.414	S	S	*	.	S	Bend	trans	-121.1	123.5	-179.9	-70.9	-174.4	-178.7	-179.5	0	111	L152 H153	L152-K155 PolarHBondContact O-N 3.01Å; H153-K155 PolarHBondContact O-N 2.86Å; H153-K155 VanDerWaalsContact O-N 3.09Å
156	P	72.9	Confident	70.4	Confident	58 Å²	58	66.3 Å²	66.3	38%	0.377	42%	0.417	S	S	.	.			trans	-66.9	142.3	-179.7	25.5	-31.5	0	0	0	111.7	E158 Q164 I165	P156-E158 PolarHBondContact O-N 2.87Å; P156-Q164 HydrophobicContact CB-CB 4.07Å; P156-I165 CarbonylContact C-O 3.51Å; P156-I165 VanDerWaalsContact CA-O 3.24Å; P156-I165 WeakPolarHBondContact CA-O 3.4Å
157	L	78.3	Confident	70.6	Confident	32 Å²	32	65.2 Å²	65.2	17%	0.168	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	115.9	174.9	179.4	70.4	0	0	0	109.2	K90 L152 I165	K90-L157 HydrophobicContact CG-CD1 4.31Å; K90-L157 HydrophobicContact CG-CD2 4.25Å; L152-L157 HydrophobicContact CD2-CB 4Å; L157-I165 HydrophobicContact CB-CB 4.24Å; L157-I165 HydrophobicContact CD2-CD1 4.13Å; L157-I165 PolarHBondContact N-O 2.86Å; L157-I165 PolarHBondContact O-N 3.45Å
158	E	77.7	Confident	70.5	Confident	130 Å²	130	65.9 Å²	65.9	61%	0.607	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	132.2	179.6	-56.4	-156	136.4	0	0	111.8	P156 P160 Q164	P156-E158 PolarHBondContact O-N 2.87Å; E158-P160 WeakPolarHBondContact O-CD 3.31Å; E158-Q164 HydrophobicContact CG-CG 4.1Å; E158-Q164 PolarHBondContact OE1-NE2 2.95Å
159	V	81.4	Confident	70.4	Confident	2 Å²	2	68.4 Å²	68.4	1%	0.012	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	98.4	169.1	-174.1	0	0	0	0	106.5	L66 I82 L83 G161 F162 G163 I165	L66-V159 HydrophobicContact CD1-CB 4.41Å; L66-V159 HydrophobicContact CD1-CG2 4.43Å; L66-V159 HydrophobicContact CD2-CG2 4.42Å; I82-V159 HydrophobicContact CG2-CG1 3.95Å; L83-V159 HydrophobicContact CB-CG1 4.46Å; L83-V159 HydrophobicContact CD1-CG1 4.37Å; L83-V159 HydrophobicContact CD1-CG2 3.93Å; V159-G161 PolarHBondContact O-N 3.01Å; V159-G161 VanDerWaalsContact O-N 3.16Å; V159-F162 HydrophobicContact CG1-CB 4.11Å; V159-F162 HydrophobicContact CG1-CD2 4.35Å; V159-F162 PolarHBondContact O-N 3.22Å; V159-G163 PolarHBondContact N-O 3.04Å; V159-G163 PolarHBondContact O-N 3.37Å; V159-G163 VanDerWaalsContact O-N 3.16Å; V159-I165 HydrophobicContact CG2-CD1 3.71Å; V159-I165 HydrophobicContact CG2-CG1 4.06Å
160	P	75.6	Confident	70.3	Confident	89 Å²	89	65.4 Å²	65.4	58%	0.578	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	122.5	-171.3	-28	35	0	0	0	112.2	E158 F162	E158-P160 WeakPolarHBondContact O-CD 3.31Å; P160-F162 VanDerWaalsContact O-CD2 3.26Å; P160-F162 WeakPolarHBondContact O-CD2 3.12Å
161	G	73	Confident	70	Confident	81 Å²	81	65.3 Å²	65.3	84%	0.835	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	-6.5	178.7	0	0	0	0	0	116.3	V159	V159-G161 PolarHBondContact O-N 3.01Å; V159-G161 VanDerWaalsContact O-N 3.16Å
162	F	77.1	Confident	69.2	Low	85 Å²	85	64.4 Å²	64.4	37%	0.373	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.5	-16.7	-173.6	-58.9	-78.8	0	0	0	115.4	L66 F79 I82 V159 P160	L66-F162 HydrophobicContact CD1-CB 4.48Å; L66-F162 WeakPolarHBondContact CD1-O 3.49Å; F79-F162 HydrophobicContact CB-CD1 3.8Å; F79-F162 HydrophobicContact CB-CD2 4.46Å; F79-F162 HydrophobicContact CB-CE1 3.54Å; F79-F162 HydrophobicContact CB-CE2 4.24Å; F79-F162 HydrophobicContact CB-CG 4.27Å; F79-F162 HydrophobicContact CB-CZ 3.78Å; F79-F162 AromaticContact CD1-CD1 3.87Å; F79-F162 HydrophobicContact CD1-CD1 3.87Å; F79-F162 HydrophobicContact CD1-CE1 4.32Å; F79-F162 HydrophobicContact CD1-CG 4.44Å; F79-F162 HydrophobicContact CD2-CB 3.6Å; F79-F162 AromaticContact CD2-CD1 3.58Å; F79-F162 HydrophobicContact CD2-CD1 3.58Å; F79-F162 AromaticContact CD2-CD2 3.78Å; F79-F162 HydrophobicContact CD2-CD2 3.78Å; F79-F162 HydrophobicContact CD2-CE1 4.2Å; F79-F162 HydrophobicContact CD2-CE2 4.38Å; F79-F162 AromaticContact CD2-CG 3.34Å; F79-F162 HydrophobicContact CD2-CG 3.34Å; F79-F162 HydrophobicContact CE1-CD1 4.35Å; F79-F162 HydrophobicContact CE2-CB 3.38Å; F79-F162 HydrophobicContact CE2-CD1 4.1Å; F79-F162 HydrophobicContact CE2-CD2 4.42Å; F79-F162 AromaticContact CE2-CG 3.71Å; F79-F162 HydrophobicContact CE2-CG 3.71Å; F79-F162 HydrophobicContact CG-CB 4.35Å; F79-F162 AromaticContact CG-CD1 3.47Å; F79-F162 HydrophobicContact CG-CD1 3.47Å; F79-F162 VanDerWaalsContact CG-CD1 3.47Å; F79-F162 HydrophobicContact CG-CD2 4.32Å; F79-F162 AromaticContact CG-CE1 3.78Å; F79-F162 HydrophobicContact CG-CE1 3.78Å; F79-F162 AromaticContact CG-CG 3.77Å; F79-F162 HydrophobicContact CG-CG 3.77Å; F79-F162 HydrophobicContact CG-CZ 4.33Å; F79-F162 HydrophobicContact CZ-CB 3.96Å; F79-F162 HydrophobicContact CZ-CD1 4.46Å; F79-F162 HydrophobicContact CZ-CG 4.41Å; I82-F162 HydrophobicContact CD1-CE2 3.88Å; V159-F162 HydrophobicContact CG1-CB 4.11Å; V159-F162 HydrophobicContact CG1-CD2 4.35Å; V159-F162 PolarHBondContact O-N 3.22Å; P160-F162 VanDerWaalsContact O-CD2 3.26Å; P160-F162 WeakPolarHBondContact O-CD2 3.12Å
163	G	81	Confident	68	Low	34 Å²	34	66.3 Å²	66.3	35%	0.351	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	140.6	-160.5	171.3	0	0	0	0	0	113.9	V159	V159-G163 PolarHBondContact N-O 3.04Å; V159-G163 PolarHBondContact O-N 3.37Å; V159-G163 VanDerWaalsContact O-N 3.16Å
164	Q	80.6	Confident	66.9	Low	88 Å²	88	63.5 Å²	63.5	41%	0.411	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	134	-177.3	-76.3	-172.6	-2.8	0	0	110.4	G65 P156 E158	G65-Q164 CarbonylContact C-O 3.2Å; P156-Q164 HydrophobicContact CB-CB 4.07Å; E158-Q164 HydrophobicContact CG-CG 4.1Å; E158-Q164 PolarHBondContact OE1-NE2 2.95Å
165	I	79.1	Confident	65.8	Low	0 Å²	0	63.5 Å²	63.5	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	110.4	175.8	-57.9	162.8	0	0	0	107.7	L63 K64 L66 L83 P156 L157 V159 V168	L63-I165 HydrophobicContact CB-CG1 4.38Å; L63-I165 HydrophobicContact CB-CG2 4.21Å; L63-I165 HydrophobicContact CD1-CD1 4.29Å; L63-I165 HydrophobicContact CD2-CD1 4.48Å; L63-I165 HydrophobicContact CD2-CG2 4.47Å; K64-I165 CarbonylContact O-C 3.53Å; K64-I165 WeakPolarHBondContact O-CA 3.19Å; L66-I165 HydrophobicContact CB-CG1 4.21Å; L66-I165 HydrophobicContact CD2-CG1 4.32Å; L83-I165 HydrophobicContact CD1-CD1 4.04Å; P156-I165 CarbonylContact C-O 3.51Å; P156-I165 VanDerWaalsContact CA-O 3.24Å; P156-I165 WeakPolarHBondContact CA-O 3.4Å; L157-I165 HydrophobicContact CB-CB 4.24Å; L157-I165 HydrophobicContact CD2-CD1 4.13Å; L157-I165 PolarHBondContact N-O 2.86Å; L157-I165 PolarHBondContact O-N 3.45Å; V159-I165 HydrophobicContact CG2-CD1 3.71Å; V159-I165 HydrophobicContact CG2-CG1 4.06Å; I165-V168 HydrophobicContact CG2-CG2 3.67Å
166	S	68.8	Low	64.5	Low	77 Å²	77	64 Å²	64	54%	0.538	42%	0.417	S	S	.	.			trans	-86	-28.7	-177.1	56.6	0	0	0	0	113.1	K64	K64-S166 PolarHBondContact O-N 3.2Å; K64-S166 PolarHBondContact O-OG 3.46Å
167	A	68.8	Low	62.2	Low	40 Å²	40	67 Å²	67	33%	0.331	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	153.6	174.7	0	0	0	0	0	110.9	K64	K64-A167 HydrophobicContact CB-CB 4.07Å; K64-A167 WeakPolarHBondContact CB-O 3.47Å; K64-A167 HydrophobicContact CG-CB 4.38Å; K64-A167 PolarHBondContact N-O 2.77Å
168	V	70.1	Confident	59.8	Low	25 Å²	25	73.5 Å²	73.5	15%	0.152	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	120.6	173.6	-179.7	0	0	0	0	108.7	V61 E62 L63 L148 L152 I165	V61-V168 HydrophobicContact CB-CG1 3.78Å; V61-V168 HydrophobicContact CG1-CG1 4.23Å; V61-V168 HydrophobicContact CG2-CG1 4.27Å; E62-V168 WeakPolarHBondContact O-CA 3.47Å; L63-V168 HydrophobicContact CD2-CG1 4.03Å; L63-V168 HydrophobicContact CD2-CG2 3.76Å; L148-V168 HydrophobicContact CD1-CG1 3.92Å; L152-V168 HydrophobicContact CD1-CB 3.95Å; L152-V168 HydrophobicContact CD1-CG2 3.72Å; I165-V168 HydrophobicContact CG2-CG2 3.67Å
169	V	67.9	Low	57.2	Low	65 Å²	65	78 Å²	78	39%	0.394	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	122.2	-177.5	-178	0	0	0	0	108.9	V61 E62 K64	V61-V169 CarbonylContact C-O 3.49Å; V61-V169 WeakPolarHBondContact CA-O 3Å; E62-V169 HydrophobicContact CB-CB 4.3Å; E62-V169 PolarHBondContact N-O 3.06Å; E62-V169 PolarHBondContact O-N 3.35Å; K64-V169 HydrophobicContact CG-CG2 4.35Å
170	L	63	Low	54.5	Low	22 Å²	22	84.1 Å²	84.1	12%	0.115	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	130.2	175.6	-63.9	105.6	0	0	0	110.2	E59 V61 L144 R145	E59-L170 HydrophobicContact CG-CD2 3.65Å; V61-L170 HydrophobicContact CG1-CD2 4.08Å; V61-L170 HydrophobicContact CG1-CG 3.99Å; L144-L170 HydrophobicContact CB-CD2 4.26Å; L144-L170 HydrophobicContact CD2-CD2 3.65Å; L144-L170 HydrophobicContact CG-CD2 3.92Å; R145-L170 VanDerWaalsContact CA-CD1 3.47Å; R145-L170 HydrophobicContact CB-CD1 3.58Å; R145-L170 HydrophobicContact CG-CD1 3.65Å
171	L	59.9	Low	52.2	Low	66 Å²	66	87.8 Å²	87.8	35%	0.346	53%	0.529	S	S	.	.			trans	-91.6	-3.1	-176	-63.9	177	0	0	0	113.3	T60 E62 M120	T60-L171 HydrophobicContact CG2-CD1 4.18Å; T60-L171 WeakPolarHBondContact O-CB 3.37Å; T60-L171 PolarHBondContact O-N 3.07Å; E62-L171 HydrophobicContact CB-CD1 4.19Å; E62-L171 HydrophobicContact CB-CD2 4.44Å; E62-L171 HydrophobicContact CB-CG 4.32Å; M120-L171 HydrophobicContact CG-CD1 4.43Å; M120-L171 HydrophobicContact SD-CD1 3.6Å
172	G	47.9	Very low	49.9	Very low	35 Å²	35	86.9 Å²	86.9	36%	0.361	52%	0.519	S	S	.	.			trans	78.5	131.4	171.8	0	0	0	0	0	113.6	E59 S174	E59-G172 WeakPolarHBondContact OE1-CA 3.3Å; E59-G172 PolarHBondContact OE1-N 2.83Å; G172-S174 PolarHBondContact O-N 3.41Å
173	A	37.6	Very low	47.4	Very low	63 Å²	63	90 Å²	90	52%	0.521	54%	0.54	S	S	.	.	S	Bend	trans	-65.4	74.8	164.8	0	0	0	0	0	112	E59	E59-A173 WeakPolarHBondContact OE2-CB 3.47Å; E59-A173 PolarHBondContact OE2-N 3.12Å; E59-A173 VanDerWaalsContact OE2-N 3.12Å
174	S	33.8	Very low	44.8	Very low	86 Å²	86	96.3 Å²	96.3	60%	0.601	56%	0.56	S	S	*	*			trans	-118.3	111.6	155.2	141.1	0	0	0	0	105.2	G172 K176	G172-S174 PolarHBondContact O-N 3.41Å; S174-K176 PolarHBondContact O-N 2.9Å
175	G	30.9	Very low	42.5	Very low	87 Å²	87	101.2 Å²	101.2	90%	0.897	59%	0.585	S	S	*	*	S	Bend	trans	-61.4	71.5	178.5	0	0	0	0	0	113.9
176	K	29.2	Very low	40.2	Very low	180 Å²	180	107.5 Å²	107.5	78%	0.783	62%	0.624	S	S	*	*			trans	-146.5	90.6	170	-67.5	-169.8	179.9	179.4	0	108.8	S174	S174-K176 PolarHBondContact O-N 2.9Å
177	S	25.6	Very low	39	Very low	119 Å²	119	109 Å²	109	83%	0.832	64%	0.641	S	S	*	*			trans	-63.1	144.7	160.4	58.7	0	0	0	0	110.1
178	F	26.8	Very low	37.9	Very low	169 Å²	169	118.3 Å²	118.3	74%	0.741	67%	0.668	S	S	*	*			trans	-60.3	143.6	-178.9	-83.4	-100	0	0	0	114.6
179	Y	24.2	Very low	36.8	Very low	226 Å²	226	118 Å²	118	89%	0.886	67%	0.666	S	S	*	*				-174	130.5	125.3	-86.6	-71.6	0	0	0	104.3
180	V	23.5	Very low	36.3	Very low	129 Å²	129	118.5 Å²	118.5	78%	0.782	67%	0.671	S	S	*	*				-154	129.7	58.3	169.4	0	0	0	0	109.4
181	I	27.9	Very low	35.8	Very low	167 Å²	167	126.6 Å²	126.6	86%	0.856	71%	0.709	S	S	*	*			trans	-89	131	155.3	-67.2	171.6	0	0	0	106.5
182	G	25.3	Very low	35.5	Very low	62 Å²	62	129.4 Å²	129.4	64%	0.639	72%	0.724	S	S	*	*			trans	159.6	70.3	171	0	0	0	0	0	111.2
183	D	23.8	Very low	36	Very low	149 Å²	149	128.2 Å²	128.2	80%	0.797	71%	0.71	S	S	*	*				-178.2	139.9	110.3	-123	-17.4	0	0	0	112.6
184	E	26.8	Very low	37.3	Very low	168 Å²	168	127 Å²	127	79%	0.785	69%	0.692	S	S	*	*			trans	33.9	127.6	157.6	-71.9	-178.4	153.8	0	0	124.6	T186	E184-T186 PolarHBondContact O-N 3.24Å; E184-T186 VanDerWaalsContact O-N 3.16Å
185	M	32.5	Very low	38.9	Very low	190 Å²	190	126.3 Å²	126.3	94%	0.936	69%	0.685	S	S	*	*			trans	-9.9	97.3	146.7	-69	167.9	72.3	0	0	116.5
186	T	30.4	Very low	40.6	Very low	133 Å²	133	122.3 Å²	122.3	82%	0.816	64%	0.643	S	S	*	*			trans	-155	123.2	138.3	34.7	0	0	0	0	108.9	E184 R188	E184-T186 PolarHBondContact O-N 3.24Å; E184-T186 VanDerWaalsContact O-N 3.16Å; T186-R188 PolarHBondContact O-N 2.84Å
187	A	42.3	Very low	42.2	Very low	109 Å²	109	119 Å²	119	90%	0.901	63%	0.631	S	S	*	*			trans	-65	104.3	174.5	0	0	0	0	0	109.9
188	R	46.2	Very low	43.6	Very low	234 Å²	234	117.3 Å²	117.3	88%	0.883	61%	0.612	S	S	*	*			trans	-151.6	132	161.1	-109.3	174.1	-169.5	176.8	4.3	109.9	T186	T186-R188 PolarHBondContact O-N 2.84Å
189	C	47.8	Very low	44.9	Very low	18 Å²	18	111.8 Å²	111.8	12%	0.122	60%	0.603	C	S	.	*			trans	-59.1	152.8	168.5	-61.9	0	0	0	0	110.3	A193 T195 C201	C189-A193 HydrophobicContact CB-CB 4.01Å; C189-T195 PolarHBondContact SG-OG1 3.33Å; C189-C201 WeakPolarHBondContact CA-SG 3.48Å; C189-C201 HydrophobicContact CB-CB 3.78Å; C189-C201 WeakPolarHBondContact CB-SG 3.09Å; C189-C201 VanDerWaalsContact SG-CA 3.51Å; C189-C201 WeakPolarHBondContact SG-CB 3.04Å; C189-C201 CovalentContact SG-SG 2.03Å; C189-C201 PolarHBondContact SG-SG 3.37Å
190	P	57.4	Low	46.6	Very low	77 Å²	77	105.1 Å²	105.1	50%	0.5	58%	0.58	S	S	.	*			trans	-48.3	147.5	170.4	-26.6	34.4	0	0	0	111.6	N192 A193	P190-N192 WeakPolarHBondContact CB-OD1 3.34Å; P190-N192 PolarHBondContact O-N 2.82Å; P190-A193 HydrophobicContact CB-CB 4.42Å; P190-A193 PolarHBondContact O-N 2.81Å
191	E	51	Low	48.6	Very low	192 Å²	192	101.7 Å²	101.7	90%	0.897	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.9	-21	-175.2	-74.2	-161.3	150.8	0	0	114.7
192	N	54	Low	50.6	Low	125 Å²	125	94.7 Å²	94.7	67%	0.668	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	9.2	-179.4	57.9	-28.2	0	0	0	114.2	P190	P190-N192 WeakPolarHBondContact CB-OD1 3.34Å; P190-N192 PolarHBondContact O-N 2.82Å
193	A	59.4	Low	52.6	Low	9 Å²	9	97.1 Å²	97.1	7%	0.074	53%	0.528	C	S	.	.	S	Bend	trans	-118	145	178.9	0	0	0	0	0	111.3	C189 P190 C201 I202 T203	C189-A193 HydrophobicContact CB-CB 4.01Å; P190-A193 HydrophobicContact CB-CB 4.42Å; P190-A193 PolarHBondContact O-N 2.81Å; A193-C201 HydrophobicContact CB-CB 4.37Å; A193-I202 CarbonylContact C-O 3.54Å; A193-I202 VanDerWaalsContact CA-O 3.24Å; A193-I202 WeakPolarHBondContact CA-O 2.97Å; A193-I202 WeakPolarHBondContact CB-O 3.21Å; A193-T203 HydrophobicContact CB-CG2 4.1Å
194	Y	64.9	Low	54.7	Low	37 Å²	37	93.4 Å²	93.4	15%	0.145	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	136.9	172	178.3	-96.4	0	0	0	110.2	C201 I202 P207 A208 S219 D220	Y194-C201 CarbonylContact O-C 3.53Å; Y194-C201 WeakPolarHBondContact O-CA 3.32Å; Y194-I202 PolarHBondContact N-O 3.07Å; Y194-I202 PolarHBondContact O-N 3.15Å; Y194-P207 HydrophobicContact CD1-CG 4.43Å; Y194-P207 HydrophobicContact CG-CG 3.95Å; Y194-A208 HydrophobicContact CD2-CB 3.75Å; Y194-A208 HydrophobicContact CE2-CB 3.53Å; Y194-A208 HydrophobicContact CG-CB 4.42Å; Y194-S219 PolarHBondContact OH-O 2.97Å; Y194-D220 HydrophobicContact CD1-CB 4.09Å; Y194-D220 HydrophobicContact CE1-CB 3.58Å; Y194-D220 WeakPolarHBondContact OH-CA 3.5Å
195	T	67.1	Low	56.6	Low	72 Å²	72	91 Å²	91	44%	0.442	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	118.2	177.6	-44.2	0	0	0	0	109.9	C189	C189-T195 PolarHBondContact SG-OG1 3.33Å
196	C	67	Low	58.3	Low	4 Å²	4	83.4 Å²	83.4	3%	0.027	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-73.1	159.1	171.4	-55	0	0	0	0	111.1	N198 G199 E200 I202 C215	C196-N198 VanDerWaalsContact C-N 3.27Å; C196-N198 WeakPolarHBondContact CB-OD1 3.44Å; C196-N198 PolarHBondContact O-N 2.87Å; C196-G199 PolarHBondContact O-N 3.39Å; C196-E200 HydrophobicContact CB-CB 4.06Å; C196-E200 WeakPolarHBondContact CB-O 3.17Å; C196-E200 PolarHBondContact N-O 2.03Å; C196-E200 PolarHBondContact SG-O 2.7Å; C196-I202 WeakPolarHBondContact SG-CG1 3.44Å; C196-C215 HydrophobicContact CB-CB 3.7Å; C196-C215 WeakPolarHBondContact CB-SG 3.49Å; C196-C215 WeakPolarHBondContact SG-CB 3.39Å; C196-C215 CovalentContact SG-SG 2.02Å; C196-C215 PolarHBondContact SG-SG 2.95Å
197	E	62	Low	60	Low	111 Å²	111	77.2 Å²	77.2	52%	0.519	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-31.3	179.9	-67.8	179.6	-174.1	0	0	112.5	G199 D217 S219 R223	E197-G199 PolarHBondContact O-N 3.38Å; E197-D217 PolarHBondContact N-OD2 2.64Å; E197-S219 WeakPolarHBondContact CB-OG 3.31Å; E197-S219 WeakPolarHBondContact CG-OG 3.27Å; E197-S219 PolarHBondContact N-OG 3.36Å; E197-R223 IonicContact OE1-CZ 2.87Å; E197-R223 IonicContact OE1-NE 2.84Å; E197-R223 PolarHBondContact OE1-NE 2.92Å; E197-R223 IonicContact OE1-NH2 3.75Å; E197-R223 PolarHBondContact OE1-NH2 3.3Å; E197-R223 IonicContact OE2-NH2 3.94Å
198	N	54.3	Low	61.2	Low	83 Å²	83	72.2 Å²	72.2	44%	0.444	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-1.9	172.1	69.7	1.2	0	0	0	114.4	C196 E200 D217	C196-N198 VanDerWaalsContact C-N 3.27Å; C196-N198 WeakPolarHBondContact CB-OD1 3.44Å; C196-N198 PolarHBondContact O-N 2.87Å; N198-E200 WeakPolarHBondContact OD1-CB 3.17Å; N198-E200 PolarHBondContact OD1-N 2.9Å; N198-D217 VanDerWaalsContact CB-OD2 3.28Å; N198-D217 WeakPolarHBondContact CB-OD2 3.46Å; N198-D217 PolarHBondContact N-OD2 2.7Å
199	G	54.8	Low	62	Low	53 Å²	53	62.1 Å²	62.1	55%	0.546	34%	0.34	S	S	.	.	S	Bend	trans	86.7	4.8	-179.8	0	0	0	0	0	115.2	C196 E197	C196-G199 PolarHBondContact O-N 3.39Å; E197-G199 PolarHBondContact O-N 3.38Å
200	E	60.4	Low	62.5	Low	86 Å²	86	62.7 Å²	62.7	40%	0.402	34%	0.342	S	S	.	.			trans	-73.1	144.8	173.8	-170.3	174.2	-170.7	0	0	111.4	C196 N198 I202	C196-E200 HydrophobicContact CB-CB 4.06Å; C196-E200 WeakPolarHBondContact CB-O 3.17Å; C196-E200 PolarHBondContact N-O 2.03Å; C196-E200 PolarHBondContact SG-O 2.7Å; N198-E200 WeakPolarHBondContact OD1-CB 3.17Å; N198-E200 PolarHBondContact OD1-N 2.9Å; E200-I202 HydrophobicContact CG-CD1 4.35Å
201	C	66.1	Low	62.4	Low	57 Å²	57	63.9 Å²	63.9	39%	0.385	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	112.9	179.7	-60.9	0	0	0	0	110.7	C189 A193 Y194	C189-C201 WeakPolarHBondContact CA-SG 3.48Å; C189-C201 HydrophobicContact CB-CB 3.78Å; C189-C201 WeakPolarHBondContact CB-SG 3.09Å; C189-C201 VanDerWaalsContact SG-CA 3.51Å; C189-C201 WeakPolarHBondContact SG-CB 3.04Å; C189-C201 CovalentContact SG-SG 2.03Å; C189-C201 PolarHBondContact SG-SG 3.37Å; A193-C201 HydrophobicContact CB-CB 4.37Å; Y194-C201 CarbonylContact O-C 3.53Å; Y194-C201 WeakPolarHBondContact O-CA 3.32Å
202	I	69.7	Low	62.7	Low	20 Å²	20	59.1 Å²	59.1	10%	0.103	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	120.3	176.8	-57.5	-57.4	0	0	0	109.8	A193 Y194 C196 E200 K204 P207 D214	A193-I202 CarbonylContact C-O 3.54Å; A193-I202 VanDerWaalsContact CA-O 3.24Å; A193-I202 WeakPolarHBondContact CA-O 2.97Å; A193-I202 WeakPolarHBondContact CB-O 3.21Å; Y194-I202 PolarHBondContact N-O 3.07Å; Y194-I202 PolarHBondContact O-N 3.15Å; C196-I202 WeakPolarHBondContact SG-CG1 3.44Å; E200-I202 HydrophobicContact CG-CD1 4.35Å; I202-K204 HydrophobicContact CG2-CB 3.72Å; I202-P207 HydrophobicContact CB-CB 4.44Å; I202-P207 HydrophobicContact CB-CG 4.35Å; I202-P207 HydrophobicContact CG2-CB 3.65Å; I202-P207 HydrophobicContact CG2-CG 3.93Å; I202-D214 WeakPolarHBondContact CD1-O 3.17Å; I202-D214 HydrophobicContact CG1-CB 4.39Å; I202-D214 HydrophobicContact CG2-CB 3.96Å
203	T	67.8	Low	63.1	Low	112 Å²	112	57.4 Å²	57.4	69%	0.687	32%	0.315	S	S	*	.			trans	-93.8	-0.8	178.3	54.9	0	0	0	0	113.3	A193	A193-T203 HydrophobicContact CB-CG2 4.1Å
204	K	67.7	Low	63.3	Low	72 Å²	72	58.7 Å²	58.7	31%	0.313	32%	0.321	S	S	.	.	S	Bend	trans	-59.2	145.8	169.3	177.9	178.8	160.6	-146.1	0	109.1	I202 P207 D210 D214	I202-K204 HydrophobicContact CG2-CB 3.72Å; K204-P207 HydrophobicContact CB-CB 4.23Å; K204-P207 HydrophobicContact CG-CB 4.45Å; K204-P207 VanDerWaalsContact O-CD 3.23Å; K204-P207 WeakPolarHBondContact O-CD 3.44Å; K204-P207 WeakPolarHBondContact O-CG 3.48Å; K204-D210 WeakPolarHBondContact CE-OD2 3.24Å; K204-D210 IonicContact NZ-OD1 2.93Å; K204-D210 IonicContact NZ-OD2 2.87Å; K204-D210 PolarHBondContact NZ-OD2 2.02Å; K204-D214 VanDerWaalsContact CD-OD1 3.22Å; K204-D214 WeakPolarHBondContact CD-OD1 3.1Å; K204-D214 VanDerWaalsContact CD-OD2 3.27Å; K204-D214 WeakPolarHBondContact CD-OD2 3.46Å; K204-D214 WeakPolarHBondContact CE-OD2 3.26Å; K204-D214 IonicContact NZ-OD1 3.33Å; K204-D214 PolarHBondContact NZ-OD1 2.88Å; K204-D214 IonicContact NZ-OD2 2.76Å; K204-D214 PolarHBondContact NZ-OD2 3.14Å
205	K	66.6	Low	63.2	Low	118 Å²	118	57.1 Å²	57.1	51%	0.513	32%	0.315	S	S	.	.	S	Bend	trans	-78.1	129.5	-178.3	-175.1	-178.5	-174.6	174.2	0	110.6	E370	K205-E370 WeakPolarHBondContact CE-OE1 2.98Å; K205-E370 IonicContact NZ-OE1 3Å; K205-E370 PolarHBondContact NZ-OE1 3.13Å; K205-E370 IonicContact NZ-OE2 3.19Å
206	N	67.5	Low	63.1	Low	30 Å²	30	58 Å²	58	16%	0.16	33%	0.329	C	S	.	.	S	Bend	trans	48.4	52.1	-177.2	-59.4	-17.1	0	0	0	113.2	A208 H367 V368	N206-A208 PolarHBondContact O-N 2.94Å; N206-H367 WeakPolarHBondContact OD1-CA 2.98Å; N206-V368 PolarHBondContact ND2-O 2.89Å; N206-V368 PolarHBondContact OD1-N 2.72Å
207	P	66.8	Low	62.9	Low	3 Å²	3	60.7 Å²	60.7	2%	0.019	34%	0.343	C	S	.	.			trans	-75.9	-12.8	-173	33.9	-32.9	0	0	0	112.8	Y194 I202 K204 D214	Y194-P207 HydrophobicContact CD1-CG 4.43Å; Y194-P207 HydrophobicContact CG-CG 3.95Å; I202-P207 HydrophobicContact CB-CB 4.44Å; I202-P207 HydrophobicContact CB-CG 4.35Å; I202-P207 HydrophobicContact CG2-CB 3.65Å; I202-P207 HydrophobicContact CG2-CG 3.93Å; K204-P207 HydrophobicContact CB-CB 4.23Å; K204-P207 HydrophobicContact CG-CB 4.45Å; K204-P207 VanDerWaalsContact O-CD 3.23Å; K204-P207 WeakPolarHBondContact O-CD 3.44Å; K204-P207 WeakPolarHBondContact O-CG 3.48Å; P207-D214 WeakPolarHBondContact CA-OD2 3.28Å; P207-D214 HydrophobicContact CB-CB 4.12Å; P207-D214 WeakPolarHBondContact CB-OD2 3.34Å
208	A	66.6	Low	62.8	Low	4 Å²	4	57.1 Å²	57.1	3%	0.033	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	130.4	-179.1	0	0	0	0	0	111.8	Y194 N206 D210 D220 P364	Y194-A208 HydrophobicContact CD2-CB 3.75Å; Y194-A208 HydrophobicContact CE2-CB 3.53Å; Y194-A208 HydrophobicContact CG-CB 4.42Å; N206-A208 PolarHBondContact O-N 2.94Å; A208-D210 VanDerWaalsContact C-N 3.34Å; A208-D220 WeakPolarHBondContact CA-O 3.25Å; A208-P364 HydrophobicContact CB-CB 4.39Å; A208-P364 HydrophobicContact CB-CG 3.87Å
209	C	63.3	Low	63.4	Low	21 Å²	21	53.3 Å²	53.3	14%	0.142	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	36.2	179.3	-52.8	0	0	0	0	114.4	D220 E221 C224 F452	C209-D220 PolarHBondContact N-O 2.81Å; C209-E221 VanDerWaalsContact C-OE1 3.28Å; C209-E221 WeakPolarHBondContact CA-OE1 3.05Å; C209-E221 PolarHBondContact N-OE1 2.9Å; C209-C224 WeakPolarHBondContact CA-SG 3.12Å; C209-C224 HydrophobicContact CB-CB 3.85Å; C209-C224 WeakPolarHBondContact CB-SG 2.92Å; C209-C224 WeakPolarHBondContact SG-CA 3.03Å; C209-C224 WeakPolarHBondContact SG-CB 3.33Å; C209-C224 CovalentContact SG-SG 2.02Å; C209-C224 PolarHBondContact SG-SG 2.8Å; C209-F452 HydrophobicContact CB-CE1 4.27Å; C209-F452 HydrophobicContact CB-CZ 3.85Å
210	D	57.8	Low	63.8	Low	30 Å²	30	50.9 Å²	50.9	16%	0.16	29%	0.287	C	S	.	.	S	Bend	trans	-101.6	2.8	176.2	84.7	-12.4	0	0	0	113.5	K204 A208 I212 E221	K204-D210 WeakPolarHBondContact CE-OD2 3.24Å; K204-D210 IonicContact NZ-OD1 2.93Å; K204-D210 IonicContact NZ-OD2 2.87Å; K204-D210 PolarHBondContact NZ-OD2 2.02Å; A208-D210 VanDerWaalsContact C-N 3.34Å; D210-I212 VanDerWaalsContact C-N 3.25Å; D210-I212 PolarHBondContact O-N 2.86Å; D210-I212 WeakPolarHBondContact OD1-CA 3.21Å; D210-I212 WeakPolarHBondContact OD1-CB 3.47Å; D210-I212 PolarHBondContact OD1-N 2.86Å; D210-I212 VanDerWaalsContact OD1-O 3.12Å; D210-E221 PolarHBondContact N-OE1 3.25Å
211	F	55	Low	64.3	Low	103 Å²	103	48.7 Å²	48.7	45%	0.452	28%	0.277	S	S	.	.	S	Bend	trans	68.8	13.5	-177.8	-55	-84	0	0	0	115	E221 R450	F211-E221 VanDerWaalsContact CA-OE2 3.29Å; F211-E221 WeakPolarHBondContact CA-OE2 3Å; F211-E221 PolarHBondContact N-OE1 2.84Å; F211-E221 PolarHBondContact N-OE2 3.15Å; F211-E221 VanDerWaalsContact N-OE2 3.09Å; F211-R450 HydrophobicContact CE2-CB 4.21Å; F211-R450 VanDerWaalsContact CZ-NE 3.27Å; F211-R450 VanDerWaalsContact CZ-NH2 3.31Å
212	I	58.6	Low	64	Low	91 Å²	91	48 Å²	48	47%	0.467	28%	0.276	S	S	.	.	S	Bend	trans	-117.3	116.3	174.3	-57.8	172.6	0	0	0	107	D210 D214 D220	D210-I212 VanDerWaalsContact C-N 3.25Å; D210-I212 PolarHBondContact O-N 2.86Å; D210-I212 WeakPolarHBondContact OD1-CA 3.21Å; D210-I212 WeakPolarHBondContact OD1-CB 3.47Å; D210-I212 PolarHBondContact OD1-N 2.86Å; D210-I212 VanDerWaalsContact OD1-O 3.12Å; I212-D214 PolarHBondContact O-N 3.28Å; I212-D220 VanDerWaalsContact O-OD2 3.06Å
213	P	62.1	Low	63.5	Low	89 Å²	89	53.5 Å²	53.5	58%	0.578	30%	0.295	S	S	*	.			trans	-68.7	102.1	176.3	28	-32.2	0	0	0	109.6	A218	P213-A218 HydrophobicContact CB-CB 3.94Å
214	D	63.4	Low	63	Low	37 Å²	37	49.1 Å²	49.1	20%	0.198	27%	0.269	C	S	.	.			trans	-91.1	-30.1	177	-64.8	-47.7	0	0	0	112.2	I202 K204 P207 I212 D220	I202-D214 WeakPolarHBondContact CD1-O 3.17Å; I202-D214 HydrophobicContact CG1-CB 4.39Å; I202-D214 HydrophobicContact CG2-CB 3.96Å; K204-D214 VanDerWaalsContact CD-OD1 3.22Å; K204-D214 WeakPolarHBondContact CD-OD1 3.1Å; K204-D214 VanDerWaalsContact CD-OD2 3.27Å; K204-D214 WeakPolarHBondContact CD-OD2 3.46Å; K204-D214 WeakPolarHBondContact CE-OD2 3.26Å; K204-D214 IonicContact NZ-OD1 3.33Å; K204-D214 PolarHBondContact NZ-OD1 2.88Å; K204-D214 IonicContact NZ-OD2 2.76Å; K204-D214 PolarHBondContact NZ-OD2 3.14Å; P207-D214 WeakPolarHBondContact CA-OD2 3.28Å; P207-D214 HydrophobicContact CB-CB 4.12Å; P207-D214 WeakPolarHBondContact CB-OD2 3.34Å; I212-D214 PolarHBondContact O-N 3.28Å; D214-D220 WeakPolarHBondContact CB-OD2 3.16Å; D214-D220 PolarHBondContact N-OD2 2.01Å
215	C	63.8	Low	62.1	Low	4 Å²	4	47 Å²	47	3%	0.027	27%	0.268	C	S	.	.	S	Bend	trans	-79.9	141.6	169.2	-63.1	0	0	0	0	110	C196 D217 A218 D220	C196-C215 HydrophobicContact CB-CB 3.7Å; C196-C215 WeakPolarHBondContact CB-SG 3.49Å; C196-C215 WeakPolarHBondContact SG-CB 3.39Å; C196-C215 CovalentContact SG-SG 2.02Å; C196-C215 PolarHBondContact SG-SG 2.95Å; C215-D217 WeakPolarHBondContact CB-OD1 3.43Å; C215-D217 PolarHBondContact O-N 2.74Å; C215-D217 VanDerWaalsContact O-N 3.13Å; C215-A218 WeakPolarHBondContact O-CA 3.35Å; C215-A218 PolarHBondContact O-N 3.26Å; C215-D220 HydrophobicContact CB-CB 4.44Å; C215-D220 WeakPolarHBondContact CB-OD1 3.37Å; C215-D220 PolarHBondContact N-OD1 3.02Å
216	A	64.1	Low	60.7	Low	90 Å²	90	48.9 Å²	48.9	74%	0.744	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.6	174.9	0	0	0	0	0	113.2
217	D	62.3	Low	59.1	Low	60 Å²	60	53.3 Å²	53.3	32%	0.321	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	4.3	175.1	63.8	8.7	0	0	0	113.6	E197 N198 C215 S219	E197-D217 PolarHBondContact N-OD2 2.64Å; N198-D217 VanDerWaalsContact CB-OD2 3.28Å; N198-D217 WeakPolarHBondContact CB-OD2 3.46Å; N198-D217 PolarHBondContact N-OD2 2.7Å; C215-D217 WeakPolarHBondContact CB-OD1 3.43Å; C215-D217 PolarHBondContact O-N 2.74Å; C215-D217 VanDerWaalsContact O-N 3.13Å; D217-S219 PolarHBondContact O-N 3.17Å; D217-S219 VanDerWaalsContact O-N 3.14Å; D217-S219 WeakPolarHBondContact OD1-CB 3.21Å; D217-S219 PolarHBondContact OD1-N 3.38Å; D217-S219 PolarHBondContact OD1-OG 2.91Å; D217-S219 PolarHBondContact OD2-OG 3.06Å
218	A	59.8	Low	57.4	Low	37 Å²	37	60.2 Å²	60.2	31%	0.306	33%	0.332	S	S	.	.			trans	53.8	22.7	-174.4	0	0	0	0	0	114.6	P213 C215 D220 E221 A222	P213-A218 HydrophobicContact CB-CB 3.94Å; C215-A218 WeakPolarHBondContact O-CA 3.35Å; C215-A218 PolarHBondContact O-N 3.26Å; A218-D220 WeakPolarHBondContact CA-OD1 3.05Å; A218-D220 PolarHBondContact O-N 3.47Å; A218-E221 PolarHBondContact O-N 2.88Å; A218-A222 WeakPolarHBondContact O-CB 3.48Å; A218-A222 PolarHBondContact O-N 2.9Å
219	S	66.4	Low	55.6	Low	3 Å²	3	68.2 Å²	68.2	2%	0.021	37%	0.368	C	S	.	.	H	α-helix	trans	-59.2	-32.8	-179.7	-72.3	0	0	0	0	114	Y194 E197 D217 E221 A222	Y194-S219 PolarHBondContact OH-O 2.97Å; E197-S219 WeakPolarHBondContact CB-OG 3.31Å; E197-S219 WeakPolarHBondContact CG-OG 3.27Å; E197-S219 PolarHBondContact N-OG 3.36Å; D217-S219 PolarHBondContact O-N 3.17Å; D217-S219 VanDerWaalsContact O-N 3.14Å; D217-S219 WeakPolarHBondContact OD1-CB 3.21Å; D217-S219 PolarHBondContact OD1-N 3.38Å; D217-S219 PolarHBondContact OD1-OG 2.91Å; D217-S219 PolarHBondContact OD2-OG 3.06Å; S219-E221 PolarHBondContact O-N 3.45Å; S219-A222 PolarHBondContact O-N 3.35Å
220	D	64.3	Low	54.1	Low	1 Å²	1	72.5 Å²	72.5	1%	0.005	40%	0.399	C	S	.	.	H	α-helix	trans	-57.7	-29.3	174.4	57.5	-52.4	0	0	0	113	Y194 A208 C209 I212 D214 C215 A218 C224	Y194-D220 HydrophobicContact CD1-CB 4.09Å; Y194-D220 HydrophobicContact CE1-CB 3.58Å; Y194-D220 WeakPolarHBondContact OH-CA 3.5Å; A208-D220 WeakPolarHBondContact CA-O 3.25Å; C209-D220 PolarHBondContact N-O 2.81Å; I212-D220 VanDerWaalsContact O-OD2 3.06Å; D214-D220 WeakPolarHBondContact CB-OD2 3.16Å; D214-D220 PolarHBondContact N-OD2 2.01Å; C215-D220 HydrophobicContact CB-CB 4.44Å; C215-D220 WeakPolarHBondContact CB-OD1 3.37Å; C215-D220 PolarHBondContact N-OD1 3.02Å; A218-D220 WeakPolarHBondContact CA-OD1 3.05Å; A218-D220 PolarHBondContact O-N 3.47Å; D220-C224 PolarHBondContact O-SG 3.44Å; D220-C224 VanDerWaalsContact O-SG 3.38Å
221	E	70.6	Confident	52.6	Low	40 Å²	40	76.3 Å²	76.3	19%	0.187	42%	0.423	C	S	.	.	H	α-helix	trans	-104.3	-24	176.2	-66.3	-58.1	129.2	0	0	113.3	C209 D210 F211 A218 S219 R223 C224	C209-E221 VanDerWaalsContact C-OE1 3.28Å; C209-E221 WeakPolarHBondContact CA-OE1 3.05Å; C209-E221 PolarHBondContact N-OE1 2.9Å; D210-E221 PolarHBondContact N-OE1 3.25Å; F211-E221 VanDerWaalsContact CA-OE2 3.29Å; F211-E221 WeakPolarHBondContact CA-OE2 3Å; F211-E221 PolarHBondContact N-OE1 2.84Å; F211-E221 PolarHBondContact N-OE2 3.15Å; F211-E221 VanDerWaalsContact N-OE2 3.09Å; A218-E221 PolarHBondContact O-N 2.88Å; S219-E221 PolarHBondContact O-N 3.45Å; E221-R223 VanDerWaalsContact C-N 3.26Å; E221-R223 PolarHBondContact O-N 3.32Å; E221-C224 WeakPolarHBondContact O-CB 3.36Å; E221-C224 PolarHBondContact O-N 2.87Å; E221-C224 PolarHBondContact O-SG 3.34Å; E221-C224 VanDerWaalsContact O-SG 3.36Å
222	A	59.3	Low	51.7	Low	43 Å²	43	77.3 Å²	77.3	36%	0.355	44%	0.443	S	S	.	.	H	α-helix	trans	-65.2	-26.5	-173.5	0	0	0	0	0	114	A218 S219	A218-A222 WeakPolarHBondContact O-CB 3.48Å; A218-A222 PolarHBondContact O-N 2.9Å; S219-A222 PolarHBondContact O-N 3.35Å
223	R	59.8	Low	50.2	Low	135 Å²	135	78.4 Å²	78.4	51%	0.509	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	11.2	-176.4	-63.1	-172	177.9	-171.4	0.8	114.1	E197 E221 G225	E197-R223 IonicContact OE1-CZ 2.87Å; E197-R223 IonicContact OE1-NE 2.84Å; E197-R223 PolarHBondContact OE1-NE 2.92Å; E197-R223 IonicContact OE1-NH2 3.75Å; E197-R223 PolarHBondContact OE1-NH2 3.3Å; E197-R223 IonicContact OE2-NH2 3.94Å; E221-R223 VanDerWaalsContact C-N 3.26Å; E221-R223 PolarHBondContact O-N 3.32Å; R223-G225 PolarHBondContact O-N 2.87Å
224	C	57.8	Low	48.7	Very low	21 Å²	21	80.5 Å²	80.5	14%	0.142	47%	0.469	C	S	.	.	S	Bend	trans	-78.5	65.1	-179.4	-57.2	0	0	0	0	112.3	C209 D220 E221	C209-C224 WeakPolarHBondContact CA-SG 3.12Å; C209-C224 HydrophobicContact CB-CB 3.85Å; C209-C224 WeakPolarHBondContact CB-SG 2.92Å; C209-C224 WeakPolarHBondContact SG-CA 3.03Å; C209-C224 WeakPolarHBondContact SG-CB 3.33Å; C209-C224 CovalentContact SG-SG 2.02Å; C209-C224 PolarHBondContact SG-SG 2.8Å; D220-C224 PolarHBondContact O-SG 3.44Å; D220-C224 VanDerWaalsContact O-SG 3.38Å; E221-C224 WeakPolarHBondContact O-CB 3.36Å; E221-C224 PolarHBondContact O-N 2.87Å; E221-C224 PolarHBondContact O-SG 3.34Å; E221-C224 VanDerWaalsContact O-SG 3.36Å
225	G	48.6	Very low	46.9	Very low	28 Å²	28	88.6 Å²	88.6	29%	0.289	50%	0.498	S	S	.	.	S	Bend	trans	109.1	20.8	172.8	0	0	0	0	0	116.7	R223 S240	R223-G225 PolarHBondContact O-N 2.87Å; G225-S240 PolarHBondContact O-OG 2.72Å
226	K	37	Very low	45.2	Very low	156 Å²	156	93.6 Å²	93.6	68%	0.678	53%	0.533	S	S	*	.			trans	-83.6	119	171.1	-78.3	-174.5	-179.5	173.1	0	111.4
227	Q	33.2	Very low	43.3	Very low	124 Å²	124	96.3 Å²	96.3	58%	0.579	53%	0.53	S	S	*	.			trans	-89.4	118.5	147.4	-168.6	149.9	7.1	0	0	107.2	Q229	Q227-Q229 PolarHBondContact O-N 3.28Å; Q227-Q229 VanDerWaalsContact O-N 3.16Å
228	L	32	Very low	41.7	Very low	147 Å²	147	99.5 Å²	99.5	77%	0.77	56%	0.555	S	S	*	*			trans	-61.5	111.3	172.7	-90.2	143.5	0	0	0	109.4
229	Q	28.1	Very low	40.7	Very low	172 Å²	172	102.3 Å²	102.3	80%	0.804	56%	0.563	S	S	*	*			trans	-102.2	104	148.8	-78.3	-172.9	-8.3	0	0	107.7	Q227 T231	Q227-Q229 PolarHBondContact O-N 3.28Å; Q227-Q229 VanDerWaalsContact O-N 3.16Å; Q229-T231 VanDerWaalsContact C-N 3.3Å; Q229-T231 PolarHBondContact O-N 3Å
230	S	32.6	Very low	39.7	Very low	112 Å²	112	104.4 Å²	104.4	78%	0.783	58%	0.578	S	S	*	*			trans	-68.5	87.8	163.9	168.6	0	0	0	0	108.6
231	T	26.8	Very low	39.8	Very low	110 Å²	110	108.6 Å²	108.6	68%	0.675	60%	0.601	S	S	*	*			trans	-145.1	118.9	153.7	44.8	0	0	0	0	109.7	Q229 V233	Q229-T231 VanDerWaalsContact C-N 3.3Å; Q229-T231 PolarHBondContact O-N 3Å; T231-V233 PolarHBondContact O-N 2.81Å
232	S	35.8	Very low	40.1	Very low	124 Å²	124	107.7 Å²	107.7	87%	0.867	60%	0.598	S	S	*	*			trans	-58.5	95.3	171.9	49.5	0	0	0	0	111.8
233	V	26.3	Very low	40.8	Very low	114 Å²	114	105.6 Å²	105.6	69%	0.691	58%	0.581	S	S	*	*			trans	-152.9	129.5	160	-176.8	0	0	0	0	108.5	T231 Y235	T231-V233 PolarHBondContact O-N 2.81Å; V233-Y235 PolarHBondContact O-N 2.98Å
234	C	31.5	Very low	41.7	Very low	133 Å²	133	101.7 Å²	101.7	90%	0.899	57%	0.57	S	S	*	*	S	Bend	trans	-71.9	67.1	173.9	-61.2	0	0	0	0	111.5
235	Y	25.7	Very low	42.5	Very low	207 Å²	207	103.2 Å²	103.2	81%	0.812	57%	0.573	S	S	*	*			trans	-171.4	105.1	155.9	-128.4	-93	0	0	0	106	V233	V233-Y235 PolarHBondContact O-N 2.98Å
236	S	26.3	Very low	42.8	Very low	109 Å²	109	105 Å²	105	76%	0.762	58%	0.58	S	S	*	*			trans	-138.7	112	166.8	64.6	0	0	0	0	109
237	Q	26	Very low	43.6	Very low	146 Å²	146	99.3 Å²	99.3	68%	0.682	56%	0.561	S	S	*	*			trans	-51.9	133	169.8	-63.4	-121.1	-39.7	0	0	110.9	I239	Q237-I239 PolarHBondContact O-N 3.41Å; Q237-I239 VanDerWaalsContact O-N 3.13Å
238	P	28.8	Very low	44.6	Very low	128 Å²	128	95 Å²	95	83%	0.831	54%	0.542	S	S	*	.			trans	-79.9	93.1	168.2	30.9	-28.4	0	0	0	108.6
239	I	37.9	Very low	45	Very low	95 Å²	95	89.4 Å²	89.4	49%	0.487	52%	0.519	S	S	.	.			trans	-119.1	87.9	162.6	-55.1	176.6	0	0	0	109.1	Q237 F353	Q237-I239 PolarHBondContact O-N 3.41Å; Q237-I239 VanDerWaalsContact O-N 3.13Å; I239-F353 HydrophobicContact CG2-CD2 4.47Å
240	S	44.4	Very low	45.2	Very low	47 Å²	47	82.3 Å²	82.3	33%	0.329	49%	0.489	S	S	.	.			trans	-168.7	64.4	145.3	47	0	0	0	0	112.2	G225 C242	G225-S240 PolarHBondContact O-OG 2.72Å; S240-C242 PolarHBondContact O-N 2.88Å
241	N	67.6	Low	45.2	Very low	90 Å²	90	78.8 Å²	78.8	48%	0.481	46%	0.458	S	S	.	.			trans	-79.4	104.9	163	-76.4	-23	0	0	0	109.5	L244	N241-L244 HydrophobicContact CB-CD1 3.35Å; N241-L244 HydrophobicContact CB-CG 4Å
242	C	76.8	Confident	45.3	Very low	20 Å²	20	78.2 Å²	78.2	14%	0.135	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	160.6	173.1	64	0	0	0	0	112.5	S240 L244 P359 C361 R450	S240-C242 PolarHBondContact O-N 2.88Å; C242-L244 VanDerWaalsContact C-N 3.26Å; C242-L244 PolarHBondContact O-N 3.47Å; C242-P359 CarbonylContact C-O 3.55Å; C242-P359 WeakPolarHBondContact CA-O 3.31Å; C242-P359 HydrophobicContact CB-CB 4.48Å; C242-P359 HydrophobicContact CB-CG 4.21Å; C242-C361 HydrophobicContact CB-CB 4.04Å; C242-C361 WeakPolarHBondContact CB-SG 3.37Å; C242-C361 PolarHBondContact O-SG 2.8Å; C242-C361 WeakPolarHBondContact SG-CA 3.28Å; C242-C361 WeakPolarHBondContact SG-CB 3.3Å; C242-C361 CovalentContact SG-SG 2.05Å; C242-C361 PolarHBondContact SG-SG 2.96Å; C242-R450 PolarHBondContact O-NH1 3.12Å
243	G	74.1	Confident	44.9	Very low	0 Å²	0	77.8 Å²	77.8	0%	0	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	16.3	170	0	0	0	0	0	114.5	P359 F451	G243-P359 PolarHBondContact N-O 3.09Å; G243-F451 WeakPolarHBondContact CA-O 3.35Å; G243-F451 WeakPolarHBondContact O-CD2 3.5Å; G243-F451 PolarHBondContact O-N 2.97Å
244	L	78.8	Confident	45.1	Very low	53 Å²	53	74.3 Å²	74.3	28%	0.277	43%	0.429	S	S	.	.			trans	-97.1	154.7	177.5	-60.9	-172.4	0	0	0	112	N241 C242 P246 P264 W265	N241-L244 HydrophobicContact CB-CD1 3.35Å; N241-L244 HydrophobicContact CB-CG 4Å; C242-L244 VanDerWaalsContact C-N 3.26Å; C242-L244 PolarHBondContact O-N 3.47Å; L244-P246 WeakPolarHBondContact O-CD 3.06Å; L244-P264 WeakPolarHBondContact O-CG 3.4Å; L244-W265 VanDerWaalsContact O-CZ3 3.32Å; L244-W265 WeakPolarHBondContact O-CZ3 3Å
245	R	73.7	Confident	45.9	Very low	52 Å²	52	70.9 Å²	70.9	20%	0.196	42%	0.416	C	S	.	.			trans	-121.2	78.4	176.3	-62.5	-178.6	-69.8	-172.4	0.9	110.8	A247 M248 E262 W265 F451	R245-A247 PolarHBondContact O-N 3.08Å; R245-M248 HydrophobicContact CB-CB 3.88Å; R245-M248 HydrophobicContact CB-CG 3.84Å; R245-M248 WeakPolarHBondContact O-CB 3.35Å; R245-M248 PolarHBondContact O-N 3.15Å; R245-M248 VanDerWaalsContact O-N 3.13Å; R245-E262 WeakPolarHBondContact CD-O 3.28Å; R245-W265 HydrophobicContact CG-CH2 3.45Å; R245-W265 VanDerWaalsContact CG-CH2 3.45Å; R245-W265 HydrophobicContact CG-CZ2 4.38Å; R245-W265 HydrophobicContact CG-CZ3 3.79Å; R245-F451 VanDerWaalsContact NE-CE2 3.28Å
246	P	55.8	Low	47.3	Very low	67 Å²	67	64.3 Å²	64.3	44%	0.435	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-30.6	-170	-14.5	28.2	0	0	0	113.6	L244 M248 Q358	L244-P246 WeakPolarHBondContact O-CD 3.06Å; P246-M248 PolarHBondContact O-N 3.48Å; P246-Q358 HydrophobicContact CG-CG 3.79Å
247	A	54.2	Low	48.9	Very low	35 Å²	35	63.3 Å²	63.3	29%	0.289	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-3.6	174.8	0	0	0	0	0	113.9	R245 S355 Y356	R245-A247 PolarHBondContact O-N 3.08Å; A247-S355 VanDerWaalsContact CB-O 3.23Å; A247-S355 WeakPolarHBondContact CB-O 3.39Å; A247-S355 PolarHBondContact N-O 2.91Å; A247-Y356 HydrophobicContact CB-CD1 4.16Å; A247-Y356 HydrophobicContact CB-CE1 3.98Å
248	M	53.9	Low	50.6	Low	35 Å²	35	56.4 Å²	56.4	17%	0.172	35%	0.347	C	S	.	.			trans	-93.4	106.2	-177	-77	-70.2	-74	0	0	113.2	R245 P246 R251 E262	R245-M248 HydrophobicContact CB-CB 3.88Å; R245-M248 HydrophobicContact CB-CG 3.84Å; R245-M248 WeakPolarHBondContact O-CB 3.35Å; R245-M248 PolarHBondContact O-N 3.15Å; R245-M248 VanDerWaalsContact O-N 3.13Å; P246-M248 PolarHBondContact O-N 3.48Å; M248-R251 HydrophobicContact CE-CB 3.66Å; M248-R251 HydrophobicContact CE-CG 4.26Å; M248-E262 HydrophobicContact CE-CB 4.4Å; M248-E262 HydrophobicContact CE-CG 3.67Å; M248-E262 HydrophobicContact CG-CB 4.26Å; M248-E262 HydrophobicContact CG-CG 4.21Å; M248-E262 HydrophobicContact SD-CB 3.57Å; M248-E262 VanDerWaalsContact SD-CB 3.57Å; M248-E262 HydrophobicContact SD-CG 3.51Å; M248-E262 VanDerWaalsContact SD-CG 3.51Å
249	G	41	Very low	52.6	Low	29 Å²	29	56.2 Å²	56.2	30%	0.299	33%	0.33	S	S	.	.			trans	-72	144.4	139.5	0	0	0	0	0	109.6
250	S	31	Very low	54.2	Low	23 Å²	23	55.7 Å²	55.7	16%	0.161	33%	0.325	C	S	.	.			trans	-63.8	166.1	-152.7	86.8	0	0	0	0	117.7	R259 R568 I569	S250-R259 PolarHBondContact O-NH1 3.02Å; S250-R568 VanDerWaalsContact CB-N 3.35Å; S250-R568 VanDerWaalsContact CB-O 3.25Å; S250-R568 WeakPolarHBondContact CB-O 3.23Å; S250-R568 PolarHBondContact N-O 3.26Å; S250-R568 WeakPolarHBondContact OG-CA 3.44Å; S250-R568 PolarHBondContact OG-N 2.55Å; S250-R568 PolarHBondContact OG-O 3.3Å; S250-I569 WeakPolarHBondContact O-CD1 3.39Å; S250-I569 WeakPolarHBondContact OG-CG1 3.18Å; S250-I569 PolarHBondContact OG-N 2.89Å
251	R	32.1	Very low	55.5	Low	38 Å²	38	54 Å²	54	14%	0.143	32%	0.315	C	S	.	.			trans	-110.7	158.3	-157.3	177.3	176.5	171.9	146.3	-10.2	114.1	M248 E262 I376	M248-R251 HydrophobicContact CE-CB 3.66Å; M248-R251 HydrophobicContact CE-CG 4.26Å; R251-E262 VanDerWaalsContact CD-OE1 3.25Å; R251-E262 WeakPolarHBondContact CD-OE1 3.27Å; R251-E262 IonicContact CZ-OE1 3.44Å; R251-E262 VanDerWaalsContact CZ-OE1 3.28Å; R251-E262 IonicContact NE-OE1 3.65Å; R251-E262 PolarHBondContact NE-OE1 2.62Å; R251-E262 IonicContact NH1-OE1 3.5Å; R251-E262 PolarHBondContact NH1-OE1 2.05Å; R251-I376 VanDerWaalsContact CZ-CD1 3.45Å; R251-I376 VanDerWaalsContact NH1-CD1 3.33Å
252	I	29.8	Very low	56	Low	97 Å²	97	49.7 Å²	49.7	50%	0.497	29%	0.292	S	S	.	.			trans	-129.7	-176.2	166.2	-62.3	-78.4	0	0	0	111.1	I569	I252-I569 HydrophobicContact CG1-CD1 3.92Å
253	V	26.8	Very low	56.5	Low	115 Å²	115	49.2 Å²	49.2	70%	0.697	29%	0.288	S	S	*	.			trans	-114.4	149.1	-150.1	179.9	0	0	0	0	112.8
254	G	31	Very low	57.3	Low	41 Å²	41	49.3 Å²	49.3	42%	0.423	29%	0.289	S	S	.	.	S	Bend	trans	107.7	143.6	178.3	0	0	0	0	0	110.8	E256	G254-E256 WeakPolarHBondContact O-CG 3.03Å; G254-E256 PolarHBondContact O-N 3.5Å; G254-E256 VanDerWaalsContact O-N 3.09Å
255	G	47.8	Very low	58	Low	61 Å²	61	46.8 Å²	46.8	63%	0.629	28%	0.276	S	S	*	.	S	Bend	trans	-60.7	114.7	179.8	0	0	0	0	0	110.4	K396	G255-K396 WeakPolarHBondContact CA-O 3.17Å
256	E	56.3	Low	58.9	Low	69 Å²	69	44.5 Å²	44.5	32%	0.322	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	158.8	-172.6	67.3	-179.9	-175.8	0	0	110	G254 A258 K396	G254-E256 WeakPolarHBondContact O-CG 3.03Å; G254-E256 PolarHBondContact O-N 3.5Å; G254-E256 VanDerWaalsContact O-N 3.09Å; E256-A258 PolarHBondContact O-N 3.44Å; E256-K396 WeakPolarHBondContact OE1-CE 3.22Å; E256-K396 IonicContact OE1-NZ 2.95Å; E256-K396 PolarHBondContact OE1-NZ 3.08Å
257	D	59	Low	60.8	Low	88 Å²	88	41.3 Å²	41.3	47%	0.471	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.8	128.4	173.3	-75.6	-1.3	0	0	0	111.2	T393 Q395	D257-T393 HydrophobicContact CB-CG2 3.84Å; D257-Q395 PolarHBondContact OD1-NE2 3.16Å; D257-Q395 PolarHBondContact OD1-OE1 3.14Å
258	A	62	Low	62.7	Low	1 Å²	1	39.7 Å²	39.7	1%	0.008	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-67.5	139.9	176.2	0	0	0	0	0	110.8	E256 K310 L394 K396	E256-A258 PolarHBondContact O-N 3.44Å; A258-K310 WeakPolarHBondContact O-CD 3.46Å; A258-K310 WeakPolarHBondContact O-CE 3.09Å; A258-L394 HydrophobicContact CB-CB 4.04Å; A258-L394 HydrophobicContact CB-CD2 3.93Å; A258-L394 HydrophobicContact CB-CG 3.81Å; A258-L394 VanDerWaalsContact CB-O 3.28Å; A258-L394 WeakPolarHBondContact CB-O 3.35Å; A258-L394 PolarHBondContact N-O 3.05Å; A258-K396 HydrophobicContact CB-CD 4.35Å
259	R	71.6	Confident	64.6	Low	125 Å²	125	38 Å²	38	47%	0.472	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-74.5	155.3	172.8	-62.8	-178.9	-175.6	162.9	1.1	110.2	S250 G261 E262	S250-R259 PolarHBondContact O-NH1 3.02Å; R259-G261 PolarHBondContact O-N 3.37Å; R259-E262 HydrophobicContact CB-CB 4.21Å; R259-E262 PolarHBondContact N-OE2 2.86Å; R259-E262 VanDerWaalsContact O-CB 3.22Å; R259-E262 WeakPolarHBondContact O-CB 3.23Å; R259-E262 PolarHBondContact O-N 2.79Å
260	Q	71.3	Confident	66.9	Low	83 Å²	83	37.6 Å²	37.6	39%	0.388	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	125.9	176.9	-165	177.1	7.2	0	0	109.6	E262 K310 Y356	Q260-E262 VanDerWaalsContact C-N 3.29Å; Q260-E262 PolarHBondContact O-N 3.11Å; Q260-K310 HydrophobicContact CB-CD 4.47Å; Q260-Y356 HydrophobicContact CG-CD1 4.1Å; Q260-Y356 HydrophobicContact CG-CE1 3.87Å
261	G	71.3	Confident	69.8	Low	12 Å²	12	39.7 Å²	39.7	12%	0.124	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	75	8.9	-176.8	0	0	0	0	0	115.9	R259 L263 Y356	R259-G261 PolarHBondContact O-N 3.37Å; G261-L263 VanDerWaalsContact C-N 3.34Å; G261-Y356 VanDerWaalsContact CA-CD1 3.48Å
262	E	77.6	Confident	72.5	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.234	C	C	.	.	S	Bend	trans	-67.6	-35.1	178.2	-179.6	166.4	-175.7	0	0	113.2	R245 M248 R251 R259 Q260 K396	R245-E262 WeakPolarHBondContact CD-O 3.28Å; M248-E262 HydrophobicContact CE-CB 4.4Å; M248-E262 HydrophobicContact CE-CG 3.67Å; M248-E262 HydrophobicContact CG-CB 4.26Å; M248-E262 HydrophobicContact CG-CG 4.21Å; M248-E262 HydrophobicContact SD-CB 3.57Å; M248-E262 VanDerWaalsContact SD-CB 3.57Å; M248-E262 HydrophobicContact SD-CG 3.51Å; M248-E262 VanDerWaalsContact SD-CG 3.51Å; R251-E262 VanDerWaalsContact CD-OE1 3.25Å; R251-E262 WeakPolarHBondContact CD-OE1 3.27Å; R251-E262 IonicContact CZ-OE1 3.44Å; R251-E262 VanDerWaalsContact CZ-OE1 3.28Å; R251-E262 IonicContact NE-OE1 3.65Å; R251-E262 PolarHBondContact NE-OE1 2.62Å; R251-E262 IonicContact NH1-OE1 3.5Å; R251-E262 PolarHBondContact NH1-OE1 2.05Å; R259-E262 HydrophobicContact CB-CB 4.21Å; R259-E262 PolarHBondContact N-OE2 2.86Å; R259-E262 VanDerWaalsContact O-CB 3.22Å; R259-E262 WeakPolarHBondContact O-CB 3.23Å; R259-E262 PolarHBondContact O-N 2.79Å; Q260-E262 VanDerWaalsContact C-N 3.29Å; Q260-E262 PolarHBondContact O-N 3.11Å; E262-K396 VanDerWaalsContact CD-CD 3.5Å; E262-K396 VanDerWaalsContact OE1-CD 3.23Å; E262-K396 WeakPolarHBondContact OE1-CD 3.48Å; E262-K396 WeakPolarHBondContact OE1-CE 3.47Å; E262-K396 IonicContact OE1-NZ 3.63Å; E262-K396 PolarHBondContact OE1-NZ 3.34Å; E262-K396 WeakPolarHBondContact OE2-CD 3.36Å; E262-K396 IonicContact OE2-NZ 3.87Å; E262-K396 PolarHBondContact OE2-NZ 3.07Å
263	L	88.3	Confident	75	Confident	9 Å²	9	46.7 Å²	46.7	5%	0.047	24%	0.243	C	C	.	.	S	Bend	trans	-129.2	72.7	-177.1	-61.6	170	0	0	0	108.5	G261 W265 Q266 I376 S378 L394 K396	G261-L263 VanDerWaalsContact C-N 3.34Å; L263-W265 HydrophobicContact CD2-CZ2 4Å; L263-W265 PolarHBondContact O-N 2.66Å; L263-W265 VanDerWaalsContact O-N 3.12Å; L263-Q266 HydrophobicContact CB-CB 4.25Å; L263-Q266 VanDerWaalsContact O-CB 3.3Å; L263-Q266 WeakPolarHBondContact O-CB 3.48Å; L263-Q266 PolarHBondContact O-N 2.04Å; L263-I376 HydrophobicContact CD2-CG2 4.39Å; L263-S378 WeakPolarHBondContact CD1-OG 3.31Å; L263-L394 HydrophobicContact CB-CD2 4.43Å; L263-L394 HydrophobicContact CD1-CD2 4.42Å; L263-K396 HydrophobicContact CD1-CB 3.95Å
264	P	89.7	Confident	77.8	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.013	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-10.6	-167.7	30.3	-38	0	0	0	114.4	L244 Y356 I357 Q358	L244-P264 WeakPolarHBondContact O-CG 3.4Å; P264-Y356 WeakPolarHBondContact CA-O 3.38Å; P264-Y356 VanDerWaalsContact CB-C 3.49Å; P264-Y356 VanDerWaalsContact CB-O 3.27Å; P264-Y356 WeakPolarHBondContact CB-O 3.13Å; P264-I357 WeakPolarHBondContact O-CA 3.26Å; P264-Q358 CarbonylContact C-O 3.59Å; P264-Q358 HydrophobicContact CB-CB 3.9Å; P264-Q358 HydrophobicContact CB-CG 4.21Å; P264-Q358 HydrophobicContact CG-CB 3.81Å; P264-Q358 HydrophobicContact CG-CG 4.23Å; P264-Q358 PolarHBondContact O-N 2.86Å; P264-Q358 VanDerWaalsContact O-N 3.1Å
265	W	93.2	Very high	80.6	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-8.3	173.9	47	74.6	0	0	0	113.6	L244 R245 L263 S280 I281 Q358 V360 V443 F451	L244-W265 VanDerWaalsContact O-CZ3 3.32Å; L244-W265 WeakPolarHBondContact O-CZ3 3Å; R245-W265 HydrophobicContact CG-CH2 3.45Å; R245-W265 VanDerWaalsContact CG-CH2 3.45Å; R245-W265 HydrophobicContact CG-CZ2 4.38Å; R245-W265 HydrophobicContact CG-CZ3 3.79Å; L263-W265 HydrophobicContact CD2-CZ2 4Å; L263-W265 PolarHBondContact O-N 2.66Å; L263-W265 VanDerWaalsContact O-N 3.12Å; W265-S280 CarbonylContact O-C 3.52Å; W265-S280 WeakPolarHBondContact O-CA 3.23Å; W265-I281 HydrophobicContact CB-CB 4.45Å; W265-I281 PolarHBondContact O-N 2.68Å; W265-Q358 WeakPolarHBondContact CA-O 3.31Å; W265-Q358 VanDerWaalsContact CB-O 3.29Å; W265-Q358 WeakPolarHBondContact CB-O 3.31Å; W265-Q358 PolarHBondContact N-O 3.21Å; W265-V360 HydrophobicContact CB-CB 3.86Å; W265-V360 HydrophobicContact CB-CG1 4.38Å; W265-V360 HydrophobicContact CD2-CB 4Å; W265-V360 HydrophobicContact CD2-CG2 4.3Å; W265-V360 HydrophobicContact CE3-CB 4.31Å; W265-V360 HydrophobicContact CG-CB 3.78Å; W265-V360 HydrophobicContact CG-CG2 4.42Å; W265-V443 HydrophobicContact CZ2-CG1 4.5Å; W265-V443 HydrophobicContact CZ2-CG2 4.04Å; W265-F451 HydrophobicContact CH2-CB 3.51Å; W265-F451 HydrophobicContact CH2-CD1 4.35Å; W265-F451 AromaticContact CH2-CD2 3.71Å; W265-F451 HydrophobicContact CH2-CD2 3.71Å; W265-F451 AromaticContact CH2-CG 3.55Å; W265-F451 HydrophobicContact CH2-CG 3.55Å; W265-F451 HydrophobicContact CZ2-CB 3.88Å; W265-F451 HydrophobicContact CZ2-CD1 4.35Å; W265-F451 HydrophobicContact CZ2-CD2 4.48Å; W265-F451 AromaticContact CZ2-CG 3.94Å; W265-F451 HydrophobicContact CZ2-CG 3.94Å; W265-F451 HydrophobicContact CZ3-CB 4.17Å
266	Q	94.3	Very high	82.5	Confident	5 Å²	5	50.1 Å²	50.1	2%	0.023	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	134.5	179.2	-178.7	71.3	50.8	0	0	110.6	L263 S378 W380 L394 P441	L263-Q266 HydrophobicContact CB-CB 4.25Å; L263-Q266 VanDerWaalsContact O-CB 3.3Å; L263-Q266 WeakPolarHBondContact O-CB 3.48Å; L263-Q266 PolarHBondContact O-N 2.04Å; Q266-S378 PolarHBondContact OE1-O 2.65Å; Q266-S378 PolarHBondContact OE1-OG 3.12Å; Q266-W380 HydrophobicContact CG-CE3 4.5Å; Q266-W380 HydrophobicContact CG-CH2 3.62Å; Q266-W380 HydrophobicContact CG-CZ3 3.48Å; Q266-W380 VanDerWaalsContact CG-CZ3 3.48Å; Q266-L394 HydrophobicContact CB-CD2 4.29Å; Q266-L394 HydrophobicContact CG-CD1 3.8Å; Q266-L394 HydrophobicContact CG-CD2 4.04Å; Q266-P441 VanDerWaalsContact OE1-CG 3.28Å
267	V	94.6	Very high	84.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.4	176.5	-175.4	0	0	0	0	109.4	G278 A279 I281 I287 A305 L306 V307	V267-G278 CarbonylContact O-C 3.59Å; V267-G278 WeakPolarHBondContact O-CA 3.42Å; V267-A279 HydrophobicContact CB-CB 3.89Å; V267-A279 HydrophobicContact CG1-CB 4.27Å; V267-A279 PolarHBondContact N-O 2.98Å; V267-A279 PolarHBondContact O-N 2.62Å; V267-I281 HydrophobicContact CG2-CD1 4.05Å; V267-I281 HydrophobicContact CG2-CG1 3.38Å; V267-I287 HydrophobicContact CG1-CD1 4.29Å; V267-I287 HydrophobicContact CG2-CG2 4.46Å; V267-A305 HydrophobicContact CG1-CB 3.85Å; V267-L306 WeakPolarHBondContact CG1-O 3.44Å; V267-V307 HydrophobicContact CB-CG1 4.48Å; V267-V307 HydrophobicContact CG1-CG1 3.99Å; V267-V307 HydrophobicContact CG2-CG1 3.92Å
268	S	93.9	Very high	85.8	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	115.1	168.4	173.1	0	0	0	0	108.7	H275 L306	S268-H275 PolarHBondContact OG-ND1 2.75Å; S268-L306 PolarHBondContact N-O 3.11Å; S268-L306 PolarHBondContact O-N 3.29Å
269	L	93.4	Very high	87.4	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	129.7	171.8	-66.8	172.1	0	0	0	109.3	T276 C277 A279 I287 S289 F294 W303 A305 L345	L269-T276 PolarHBondContact O-N 3.46Å; L269-C277 WeakPolarHBondContact CA-O 3.37Å; L269-C277 HydrophobicContact CB-CB 4.4Å; L269-C277 WeakPolarHBondContact CB-O 3.22Å; L269-C277 HydrophobicContact CD1-CB 4.25Å; L269-C277 PolarHBondContact N-O 2.89Å; L269-C277 PolarHBondContact O-N 2.78Å; L269-A279 HydrophobicContact CD1-CB 3.82Å; L269-A279 HydrophobicContact CD2-CB 4.28Å; L269-A279 HydrophobicContact CG-CB 3.83Å; L269-I287 HydrophobicContact CD2-CD1 3.85Å; L269-S289 VanDerWaalsContact CD1-OG 3.31Å; L269-S289 WeakPolarHBondContact CD1-OG 3.47Å; L269-F294 HydrophobicContact CD1-CE2 4.41Å; L269-F294 HydrophobicContact CD1-CZ 3.67Å; L269-W303 HydrophobicContact CB-CE3 4.09Å; L269-W303 HydrophobicContact CB-CZ3 3.93Å; L269-A305 HydrophobicContact CD2-CB 4.31Å; L269-L345 HydrophobicContact CD2-CD2 4.19Å
270	R	91.1	Very high	88.5	Confident	20 Å²	20	36.9 Å²	36.9	8%	0.075	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	119.5	-175.5	-64.7	174.8	170.9	-176.3	-7.3	110.8	R274 W303 T304 L306 A312 N313	R270-R274 CarbonylContact C-O 3.39Å; R270-R274 WeakPolarHBondContact CA-O 3.23Å; R270-W303 WeakPolarHBondContact O-CA 2.87Å; R270-T304 PolarHBondContact N-O 2.92Å; R270-T304 PolarHBondContact O-N 3.45Å; R270-L306 VanDerWaalsContact NH2-CD2 3.34Å; R270-A312 PolarHBondContact NH2-O 3.01Å; R270-N313 PolarHBondContact NH2-O 2.83Å
271	Y	90.3	Very high	89.6	Confident	67 Å²	67	33 Å²	33	26%	0.263	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	122.9	170.6	-174.7	-116.3	0	0	0	108.8	W273 R274 T276 A297 E302 W303	Y271-W273 VanDerWaalsContact C-N 3.25Å; Y271-W273 PolarHBondContact O-N 3.38Å; Y271-R274 PolarHBondContact N-O 2.93Å; Y271-R274 PolarHBondContact O-N 3.06Å; Y271-T276 WeakPolarHBondContact CB-OG1 3.48Å; Y271-A297 HydrophobicContact CD2-CB 4.31Å; Y271-A297 HydrophobicContact CE2-CB 3.75Å; Y271-E302 HydrophobicContact CD2-CB 4.01Å; Y271-E302 HydrophobicContact CE2-CB 3.55Å; Y271-E302 HydrophobicContact CE2-CG 4.36Å; Y271-E302 WeakPolarHBondContact CE2-OE2 3.48Å; Y271-E302 VanDerWaalsContact CZ-OE2 3.32Å; Y271-E302 PolarHBondContact OH-OE2 2.87Å; Y271-W303 HydrophobicContact CD2-CD2 4.06Å; Y271-W303 AromaticContact CD2-CE2 3.58Å; Y271-W303 HydrophobicContact CD2-CG 4.44Å; Y271-W303 AromaticContact CD2-CZ2 3.86Å; Y271-W303 HydrophobicContact CD2-CZ2 3.86Å; Y271-W303 AromaticContact CD2-NE1 3.66Å; Y271-W303 HydrophobicContact CG-CH2 4.5Å; Y271-W303 HydrophobicContact CG-CZ2 4.2Å
272	H	88.7	Confident	90.5	Very high	101 Å²	101	33.2 Å²	33.2	47%	0.468	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.8	49.3	-171.6	-62.3	-59.8	0	0	0	113.2	R274 E302	H272-R274 PolarHBondContact O-N 3.48Å; H272-R274 VanDerWaalsContact O-N 3.12Å; H272-E302 IonicContact CE1-OE1 2.81Å; H272-E302 PolarHBondContact CE1-OE1 2.89Å; H272-E302 PolarHBondContact N-O 2.79Å; H272-E302 VanDerWaalsContact N-O 3.1Å; H272-E302 IonicContact NE2-OE1 3.32Å
273	W	83.7	Confident	90.8	Very high	181 Å²	181	34.3 Å²	34.3	69%	0.686	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.8	0.7	179.5	-51.8	96.5	0	0	0	116.6	Y271 T321	Y271-W273 VanDerWaalsContact C-N 3.25Å; Y271-W273 PolarHBondContact O-N 3.38Å; W273-T321 HydrophobicContact CZ3-CG2 4.23Å
274	R	85.9	Confident	90.8	Very high	199 Å²	199	38.6 Å²	38.6	75%	0.751	17%	0.165	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	134.6	176.3	-64.4	-177.4	67.9	161.1	0.6	110.4	R270 Y271 H272 T276	R270-R274 CarbonylContact C-O 3.39Å; R270-R274 WeakPolarHBondContact CA-O 3.23Å; Y271-R274 PolarHBondContact N-O 2.93Å; Y271-R274 PolarHBondContact O-N 3.06Å; H272-R274 PolarHBondContact O-N 3.48Å; H272-R274 VanDerWaalsContact O-N 3.12Å; R274-T276 PolarHBondContact O-N 3.13Å; R274-T276 PolarHBondContact O-OG1 3.39Å
275	H	88.5	Confident	90.7	Very high	33 Å²	33	42.5 Å²	42.5	15%	0.153	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	126.4	174.5	174.8	60.6	0	0	0	110.5	S268 C277 G436	S268-H275 PolarHBondContact OG-ND1 2.75Å; H275-C277 VanDerWaalsContact CE1-C 3.45Å; H275-C277 PolarHBondContact CE1-O 3.32Å; H275-C277 PolarHBondContact ND1-O 2.65Å; H275-G436 PolarHBondContact NE2-O 3.43Å; H275-G436 VanDerWaalsContact NE2-O 3.15Å
276	T	88.9	Confident	90.7	Very high	58 Å²	58	44.2 Å²	44.2	36%	0.356	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	-44.2	-180	-57.4	0	0	0	0	111.1	L269 Y271 R274 W303	L269-T276 PolarHBondContact O-N 3.46Å; Y271-T276 WeakPolarHBondContact CB-OG1 3.48Å; R274-T276 PolarHBondContact O-N 3.13Å; R274-T276 PolarHBondContact O-OG1 3.39Å; T276-W303 HydrophobicContact CG2-CH2 4.04Å
277	C	92.1	Very high	90.7	Very high	5 Å²	5	44 Å²	44	3%	0.034	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	160.5	-177.8	-76.9	0	0	0	0	112.2	L269 H275 C293 S438	L269-C277 WeakPolarHBondContact CA-O 3.37Å; L269-C277 HydrophobicContact CB-CB 4.4Å; L269-C277 WeakPolarHBondContact CB-O 3.22Å; L269-C277 HydrophobicContact CD1-CB 4.25Å; L269-C277 PolarHBondContact N-O 2.89Å; L269-C277 PolarHBondContact O-N 2.78Å; H275-C277 VanDerWaalsContact CE1-C 3.45Å; H275-C277 PolarHBondContact CE1-O 3.32Å; H275-C277 PolarHBondContact ND1-O 2.65Å; C277-C293 HydrophobicContact CB-CB 3.85Å; C277-C293 WeakPolarHBondContact CB-SG 3.38Å; C277-C293 WeakPolarHBondContact SG-CB 3.45Å; C277-C293 CovalentContact SG-SG 2.03Å; C277-C293 PolarHBondContact SG-SG 3.29Å; C277-S438 CarbonylContact C-O 3.55Å; C277-S438 WeakPolarHBondContact CA-O 3.43Å; C277-S438 VanDerWaalsContact CB-O 3.23Å; C277-S438 WeakPolarHBondContact CB-O 3.29Å
278	G	92.4	Very high	90.8	Very high	0 Å²	0	44 Å²	44	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	164.4	165.3	0	0	0	0	0	112.6	V267 S289 S438 G439	V267-G278 CarbonylContact O-C 3.59Å; V267-G278 WeakPolarHBondContact O-CA 3.42Å; G278-S289 PolarHBondContact O-OG 2.7Å; G278-S438 PolarHBondContact N-O 2.91Å; G278-G439 VanDerWaalsContact C-C 3.45Å; G278-G439 CarbonylContact C-O 3.51Å; G278-G439 CarbonylContact O-C 3.58Å; G278-G439 VanDerWaalsContact O-CA 3.32Å; G278-G439 WeakPolarHBondContact O-CA 2.89Å
279	A	94.8	Very high	90.9	Very high	0 Å²	0	44 Å²	44	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	171.6	167.6	0	0	0	0	0	110.8	V267 L269 I287 V288 G439	V267-A279 HydrophobicContact CB-CB 3.89Å; V267-A279 HydrophobicContact CG1-CB 4.27Å; V267-A279 PolarHBondContact N-O 2.98Å; V267-A279 PolarHBondContact O-N 2.62Å; L269-A279 HydrophobicContact CD1-CB 3.82Å; L269-A279 HydrophobicContact CD2-CB 4.28Å; L269-A279 HydrophobicContact CG-CB 3.83Å; A279-I287 HydrophobicContact CB-CD1 4.09Å; A279-V288 CarbonylContact C-O 3.58Å; A279-V288 VanDerWaalsContact CA-O 3.25Å; A279-V288 WeakPolarHBondContact CA-O 3.28Å; A279-V288 VanDerWaalsContact CB-O 3.31Å; A279-V288 WeakPolarHBondContact CB-O 3.43Å; A279-G439 WeakPolarHBondContact CA-O 3.35Å
280	S	95.6	Very high	90.9	Very high	0 Å²	0	44 Å²	44	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	132.1	-178.3	-53.1	0	0	0	0	111.5	W265 I282 I287 V288 P441	W265-S280 CarbonylContact O-C 3.52Å; W265-S280 WeakPolarHBondContact O-CA 3.23Å; S280-I282 PolarHBondContact O-N 3.22Å; S280-I287 CarbonylContact O-C 3.41Å; S280-I287 WeakPolarHBondContact O-CA 3.29Å; S280-I287 WeakPolarHBondContact O-CB 3.3Å; S280-V288 PolarHBondContact N-O 3.36Å; S280-V288 PolarHBondContact O-N 3.32Å; S280-P441 VanDerWaalsContact OG-CB 3.23Å; S280-P441 WeakPolarHBondContact OG-CB 3.42Å
281	I	94	Very high	91	Very high	0 Å²	0	43 Å²	43	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	122.5	176.6	-55.9	173.9	0	0	0	110.1	W265 V267 N283 I287 V307 L351 F353 I357 P359 V360	W265-I281 HydrophobicContact CB-CB 4.45Å; W265-I281 PolarHBondContact O-N 2.68Å; V267-I281 HydrophobicContact CG2-CD1 4.05Å; V267-I281 HydrophobicContact CG2-CG1 3.38Å; I281-N283 WeakPolarHBondContact CG2-O 3.25Å; I281-I287 HydrophobicContact CG1-CG2 4.3Å; I281-V307 HydrophobicContact CD1-CB 4.4Å; I281-V307 HydrophobicContact CD1-CG1 4.16Å; I281-L351 HydrophobicContact CD1-CD1 4.01Å; I281-L351 HydrophobicContact CG1-CD1 4.19Å; I281-L351 HydrophobicContact CG2-CD1 3.65Å; I281-F353 HydrophobicContact CG2-CE1 4.2Å; I281-I357 HydrophobicContact CD1-CG2 3.78Å; I281-P359 HydrophobicContact CG2-CB 4.2Å; I281-P359 CarbonylContact O-C 3.44Å; I281-P359 VanDerWaalsContact O-CA 3.27Å; I281-P359 WeakPolarHBondContact O-CA 3.48Å; I281-V360 WeakPolarHBondContact O-CG1 3.26Å; I281-V360 PolarHBondContact O-N 3.22Å
282	I	89.6	Confident	91	Very high	17 Å²	17	42.4 Å²	42.4	9%	0.087	18%	0.181	C	C	.	.			trans	-100.1	-43.7	177.7	-61.6	-51.3	0	0	0	111.4	S280 W286 V288 P359 V360 I362 L453	S280-I282 PolarHBondContact O-N 3.22Å; I282-W286 PolarHBondContact N-O 3.38Å; I282-V288 HydrophobicContact CD1-CB 4.36Å; I282-V288 HydrophobicContact CD1-CG2 4.14Å; I282-V288 HydrophobicContact CG1-CB 4.1Å; I282-V288 HydrophobicContact CG1-CG2 3.58Å; I282-P359 WeakPolarHBondContact O-CB 3.21Å; I282-V360 HydrophobicContact CD1-CG1 3.96Å; I282-I362 HydrophobicContact CD1-CD1 4.25Å; I282-I362 HydrophobicContact CD1-CG1 4.04Å; I282-I362 HydrophobicContact CG1-CD1 4.48Å; I282-I362 HydrophobicContact CG2-CD1 3.46Å; I282-I362 VanDerWaalsContact CG2-CD1 3.46Å; I282-I362 HydrophobicContact CG2-CG1 4.1Å; I282-L453 HydrophobicContact CD1-CD2 4.07Å
283	N	84.6	Confident	91.1	Very high	24 Å²	24	38.2 Å²	38.2	13%	0.128	16%	0.163	C	C	.	.	S	Bend	trans	-150.9	-169.4	175.6	66.2	34.9	0	0	0	110	I281 R285 W286	I281-N283 WeakPolarHBondContact CG2-O 3.25Å; N283-R285 PolarHBondContact O-N 3.33Å; N283-R285 VanDerWaalsContact O-N 3.17Å; N283-R285 PolarHBondContact OD1-N 2.88Å; N283-W286 PolarHBondContact N-O 3.27Å; N283-W286 WeakPolarHBondContact OD1-CB 3.44Å; N283-W286 VanDerWaalsContact OD1-CD1 3.26Å; N283-W286 PolarHBondContact OD1-N 3.27Å
284	K	87.2	Confident	91.5	Very high	98 Å²	98	29.9 Å²	29.9	43%	0.426	13%	0.131	S	C	.	.	S	Bend	trans	-62.4	-23.5	-175.9	-66.9	-178.2	-178.4	174.3	0	113.3	P350 L351 F353	K284-P350 HydrophobicContact CB-CB 4.49Å; K284-P350 CarbonylContact O-C 3.19Å; K284-P350 WeakPolarHBondContact O-CA 3.45Å; K284-L351 WeakPolarHBondContact O-CB 3.28Å; K284-L351 PolarHBondContact O-N 3.16Å; K284-F353 HydrophobicContact CB-CZ 4.28Å; K284-F353 HydrophobicContact CD-CE2 4.41Å; K284-F353 HydrophobicContact CG-CD2 4.14Å; K284-F353 HydrophobicContact CG-CE1 4.13Å; K284-F353 HydrophobicContact CG-CE2 3.51Å; K284-F353 HydrophobicContact CG-CZ 3.51Å
285	R	89.1	Confident	91.1	Very high	85 Å²	85	26 Å²	26	32%	0.321	12%	0.122	S	C	.	.	S	Bend	trans	-119.3	-18.2	-173.4	-173.3	170.4	-66.3	-77.9	5.5	113.5	N283 E346 L347 E348	N283-R285 PolarHBondContact O-N 3.33Å; N283-R285 VanDerWaalsContact O-N 3.17Å; N283-R285 PolarHBondContact OD1-N 2.88Å; R285-E346 HydrophobicContact CG-CG 3.78Å; R285-L347 PolarHBondContact NH1-O 3.03Å; R285-L347 WeakPolarHBondContact O-CB 3.45Å; R285-L347 PolarHBondContact O-N 3.3Å; R285-E348 PolarHBondContact NH1-O 3.38Å; R285-E348 VanDerWaalsContact NH1-O 3.14Å
286	W	92.1	Very high	90.4	Very high	35 Å²	35	28.5 Å²	28.5	13%	0.133	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	137	-168.1	-63.5	97	0	0	0	112.1	I282 N283 I328 V344 L345 E346 Y485 T486	I282-W286 PolarHBondContact N-O 3.38Å; N283-W286 PolarHBondContact N-O 3.27Å; N283-W286 WeakPolarHBondContact OD1-CB 3.44Å; N283-W286 VanDerWaalsContact OD1-CD1 3.26Å; N283-W286 PolarHBondContact OD1-N 3.27Å; W286-I328 HydrophobicContact CH2-CD1 3.96Å; W286-I328 HydrophobicContact CZ3-CD1 3.84Å; W286-V344 HydrophobicContact CD2-CG1 4.29Å; W286-V344 HydrophobicContact CE3-CG1 3.36Å; W286-V344 HydrophobicContact CZ3-CG1 3.73Å; W286-L345 WeakPolarHBondContact CA-O 3.41Å; W286-E346 HydrophobicContact CD2-CB 4.43Å; W286-E346 HydrophobicContact CD2-CG 4.34Å; W286-E346 HydrophobicContact CE3-CB 3.86Å; W286-E346 HydrophobicContact CE3-CG 4.25Å; W286-E346 HydrophobicContact CH2-CB 3.77Å; W286-E346 HydrophobicContact CH2-CG 3.89Å; W286-E346 HydrophobicContact CZ2-CB 4.31Å; W286-E346 HydrophobicContact CZ2-CG 3.94Å; W286-E346 HydrophobicContact CZ3-CB 3.52Å; W286-E346 HydrophobicContact CZ3-CG 4.05Å; W286-Y485 WeakPolarHBondContact CZ2-O 3.33Å; W286-T486 HydrophobicContact CB-CG2 3.52Å; W286-T486 HydrophobicContact CD2-CG2 3.99Å; W286-T486 HydrophobicContact CE3-CG2 4.4Å; W286-T486 HydrophobicContact CG-CG2 3.64Å
287	I	95.5	Very high	90	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	156.7	174	67.2	175.6	0	0	0	109.9	V267 L269 A279 S280 I281 A305 I324 L345 L347	V267-I287 HydrophobicContact CG1-CD1 4.29Å; V267-I287 HydrophobicContact CG2-CG2 4.46Å; L269-I287 HydrophobicContact CD2-CD1 3.85Å; A279-I287 HydrophobicContact CB-CD1 4.09Å; S280-I287 CarbonylContact O-C 3.41Å; S280-I287 WeakPolarHBondContact O-CA 3.29Å; S280-I287 WeakPolarHBondContact O-CB 3.3Å; I281-I287 HydrophobicContact CG1-CG2 4.3Å; I287-A305 HydrophobicContact CD1-CB 4.14Å; I287-I324 HydrophobicContact CD1-CD1 4.37Å; I287-L345 HydrophobicContact CD1-CB 4.17Å; I287-L345 HydrophobicContact CD1-CD1 4.45Å; I287-L345 HydrophobicContact CG1-CB 3.7Å; I287-L345 HydrophobicContact CG1-CD1 4.12Å; I287-L345 HydrophobicContact CG1-CG 4.44Å; I287-L345 PolarHBondContact N-O 3.39Å; I287-L345 PolarHBondContact O-N 3.45Å; I287-L347 HydrophobicContact CD1-CD2 4.11Å; I287-L347 HydrophobicContact CG2-CD1 4.07Å; I287-L347 HydrophobicContact CG2-CD2 4.46Å; I287-L347 HydrophobicContact CG2-CG 4.33Å
288	V	95.6	Very high	89.6	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	139.7	178.9	165.8	0	0	0	0	110.2	A279 S280 I282 M342 T343 V344 V456 I482	A279-V288 CarbonylContact C-O 3.58Å; A279-V288 VanDerWaalsContact CA-O 3.25Å; A279-V288 WeakPolarHBondContact CA-O 3.28Å; A279-V288 VanDerWaalsContact CB-O 3.31Å; A279-V288 WeakPolarHBondContact CB-O 3.43Å; S280-V288 PolarHBondContact N-O 3.36Å; S280-V288 PolarHBondContact O-N 3.32Å; I282-V288 HydrophobicContact CD1-CB 4.36Å; I282-V288 HydrophobicContact CD1-CG2 4.14Å; I282-V288 HydrophobicContact CG1-CB 4.1Å; I282-V288 HydrophobicContact CG1-CG2 3.58Å; V288-M342 HydrophobicContact CG1-CE 4.19Å; V288-M342 HydrophobicContact CG1-CG 4.18Å; V288-M342 HydrophobicContact CG1-SD 4.46Å; V288-T343 WeakPolarHBondContact CA-O 3.4Å; V288-V344 HydrophobicContact CG2-CG2 4.18Å; V288-V456 HydrophobicContact CG1-CG2 3.89Å; V288-I482 HydrophobicContact CG2-CD1 4.21Å; V288-I482 HydrophobicContact CG2-CG1 4.17Å; V288-I482 HydrophobicContact CG2-CG2 3.8Å
289	S	95.4	Very high	89.4	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	-171.6	176.6	-168	0	0	0	0	110.4	L269 G278 M342 T343 G439	L269-S289 VanDerWaalsContact CD1-OG 3.31Å; L269-S289 WeakPolarHBondContact CD1-OG 3.47Å; G278-S289 PolarHBondContact O-OG 2.7Å; S289-M342 WeakPolarHBondContact O-CA 3.27Å; S289-T343 PolarHBondContact N-O 2.94Å; S289-T343 PolarHBondContact O-N 2.73Å; S289-G439 WeakPolarHBondContact OG-CA 3.16Å
290	A	93.8	Very high	89.2	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.204	C	C	.	.			trans	-86.2	152.1	176.3	0	0	0	0	0	111.2	F294 T343 V456	A290-F294 VanDerWaalsContact O-CD2 3.25Å; A290-F294 WeakPolarHBondContact O-CD2 3.41Å; A290-F294 VanDerWaalsContact O-CE2 3.29Å; A290-F294 WeakPolarHBondContact O-CE2 3.46Å; A290-T343 PolarHBondContact O-OG1 3.21Å; A290-V456 HydrophobicContact CB-CG1 4.29Å
291	A	92.8	Very high	88.9	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.008	24%	0.236	C	C	.	.	S	Bend	trans	-72.7	-40.4	177.5	0	0	0	0	0	113.2	C293 F294 V329 Y333 D341 T343	A291-C293 PolarHBondContact O-N 3.03Å; A291-C293 VanDerWaalsContact O-N 3.08Å; A291-F294 PolarHBondContact O-N 3Å; A291-V329 HydrophobicContact CB-CG1 3.7Å; A291-Y333 HydrophobicContact CB-CD1 3.73Å; A291-Y333 HydrophobicContact CB-CD2 3.57Å; A291-Y333 HydrophobicContact CB-CE1 4.11Å; A291-Y333 HydrophobicContact CB-CE2 3.97Å; A291-Y333 HydrophobicContact CB-CG 3.45Å; A291-Y333 VanDerWaalsContact CB-CG 3.45Å; A291-D341 VanDerWaalsContact CA-OD1 3.31Å; A291-D341 WeakPolarHBondContact CA-OD1 3.2Å; A291-D341 WeakPolarHBondContact CB-OD1 3.41Å; A291-D341 PolarHBondContact N-OD1 3.15Å; A291-T343 WeakPolarHBondContact CA-OG1 3.36Å
292	H	91.5	Very high	88.8	Confident	54 Å²	54	44.5 Å²	44.5	25%	0.25	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-60.3	-23.4	-179.9	75.7	-100.1	0	0	0	113.2	F294 E295 Y333 D341 S438 S458	H292-F294 PolarHBondContact O-N 3.46Å; H292-E295 PolarHBondContact O-N 2.85Å; H292-Y333 WeakPolarHBondContact CB-OH 3.42Å; H292-D341 IonicContact CE1-OD2 2.71Å; H292-D341 IonicContact CG-OD1 3.45Å; H292-D341 IonicContact CG-OD2 2.74Å; H292-D341 PolarHBondContact N-OD1 3.48Å; H292-D341 IonicContact ND1-OD1 2.67Å; H292-D341 PolarHBondContact ND1-OD1 2.88Å; H292-D341 IonicContact ND1-OD2 2.86Å; H292-D341 PolarHBondContact ND1-OD2 3.09Å; H292-S438 VanDerWaalsContact CE1-CB 3.45Å; H292-S438 WeakPolarHBondContact CE1-CB 3.06Å; H292-S438 PolarHBondContact CE1-OG 3.05Å; H292-S438 VanDerWaalsContact CE1-OG 3.3Å; H292-S438 WeakPolarHBondContact NE2-CB 3.43Å; H292-S438 PolarHBondContact NE2-OG 3.4Å; H292-S458 PolarHBondContact CE1-O 2.95Å
293	C	90.9	Very high	89	Confident	13 Å²	13	43.8 Å²	43.8	9%	0.088	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-62.6	-21.8	175.3	-68.7	0	0	0	0	113.8	C277 A291 W303	C277-C293 HydrophobicContact CB-CB 3.85Å; C277-C293 WeakPolarHBondContact CB-SG 3.38Å; C277-C293 WeakPolarHBondContact SG-CB 3.45Å; C277-C293 CovalentContact SG-SG 2.03Å; C277-C293 PolarHBondContact SG-SG 3.29Å; A291-C293 PolarHBondContact O-N 3.03Å; A291-C293 VanDerWaalsContact O-N 3.08Å; C293-W303 WeakPolarHBondContact O-CH2 3.2Å; C293-W303 WeakPolarHBondContact O-CZ2 3.32Å
294	F	90.3	Very high	89.4	Confident	5 Å²	5	43 Å²	43	2%	0.022	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-116.1	10.3	-175.2	-53.9	-81.5	0	0	0	112.4	L269 A290 A291 H292 G296 A297 W303 I327 V329 T343 L345	L269-F294 HydrophobicContact CD1-CE2 4.41Å; L269-F294 HydrophobicContact CD1-CZ 3.67Å; A290-F294 VanDerWaalsContact O-CD2 3.25Å; A290-F294 WeakPolarHBondContact O-CD2 3.41Å; A290-F294 VanDerWaalsContact O-CE2 3.29Å; A290-F294 WeakPolarHBondContact O-CE2 3.46Å; A291-F294 PolarHBondContact O-N 3Å; H292-F294 PolarHBondContact O-N 3.46Å; F294-G296 PolarHBondContact O-N 3.08Å; F294-A297 PolarHBondContact O-N 3.27Å; F294-W303 HydrophobicContact CD1-CD2 4.26Å; F294-W303 AromaticContact CD1-CE2 3.7Å; F294-W303 HydrophobicContact CD1-CH2 4.31Å; F294-W303 AromaticContact CD1-CZ2 3.74Å; F294-W303 HydrophobicContact CD1-CZ2 3.74Å; F294-W303 AromaticContact CD1-NE1 3.9Å; F294-W303 AromaticContact CE1-CD2 3.82Å; F294-W303 HydrophobicContact CE1-CD2 3.82Å; F294-W303 AromaticContact CE1-CE2 3.73Å; F294-W303 HydrophobicContact CE1-CE3 4.06Å; F294-W303 HydrophobicContact CE1-CG 4.35Å; F294-W303 HydrophobicContact CE1-CH2 4.11Å; F294-W303 AromaticContact CE1-CZ2 3.89Å; F294-W303 HydrophobicContact CE1-CZ2 3.89Å; F294-W303 HydrophobicContact CE1-CZ3 4.19Å; F294-I327 HydrophobicContact CB-CG2 4.25Å; F294-I327 HydrophobicContact CD1-CD1 3.82Å; F294-I327 HydrophobicContact CD1-CG2 3.8Å; F294-I327 HydrophobicContact CD2-CG2 4.32Å; F294-I327 HydrophobicContact CE1-CD1 3.96Å; F294-I327 HydrophobicContact CE1-CG2 4.21Å; F294-I327 HydrophobicContact CG-CG2 3.84Å; F294-V329 HydrophobicContact CB-CG2 3.99Å; F294-T343 HydrophobicContact CD2-CG2 3.73Å; F294-T343 HydrophobicContact CE2-CG2 3.71Å; F294-T343 HydrophobicContact CZ-CG2 4.46Å; F294-L345 HydrophobicContact CE1-CD2 3.74Å; F294-L345 HydrophobicContact CE2-CD1 4.14Å; F294-L345 HydrophobicContact CE2-CD2 4.45Å; F294-L345 HydrophobicContact CZ-CD1 3.86Å; F294-L345 HydrophobicContact CZ-CD2 3.49Å; F294-L345 VanDerWaalsContact CZ-CD2 3.49Å; F294-L345 HydrophobicContact CZ-CG 4.12Å
295	E	79.5	Confident	89.8	Confident	117 Å²	117	38.4 Å²	38.4	55%	0.547	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	102.6	176.1	-170.6	170.9	-171.7	0	0	109.3	H292 P335	H292-E295 PolarHBondContact O-N 2.85Å; E295-P335 WeakPolarHBondContact OE1-CB 3.2Å
296	G	73.6	Confident	90	Very high	86 Å²	86	34.4 Å²	34.4	89%	0.887	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.9	-4.4	-178.5	0	0	0	0	0	115.9	F294	F294-G296 PolarHBondContact O-N 3.08Å
297	A	80.1	Confident	90	Very high	17 Å²	17	32.7 Å²	32.7	14%	0.14	20%	0.2	C	C	.	.			trans	-135.7	67.3	177.8	0	0	0	0	0	110.3	Y271 F294 W303	Y271-A297 HydrophobicContact CD2-CB 4.31Å; Y271-A297 HydrophobicContact CE2-CB 3.75Å; F294-A297 PolarHBondContact O-N 3.27Å; A297-W303 HydrophobicContact CB-CZ2 4.25Å; A297-W303 PolarHBondContact O-NE1 3.47Å
298	N	82.6	Confident	89.6	Confident	119 Å²	119	33.1 Å²	33.1	64%	0.636	20%	0.204	S	C	*	.			trans	-101.1	3.2	-171.6	68.5	-5.9	0	0	0	114.6	P300	N298-P300 VanDerWaalsContact O-CD 3.27Å; N298-P300 WeakPolarHBondContact O-CD 3.04Å
299	D	89.1	Confident	89.1	Confident	73 Å²	73	33.7 Å²	33.7	39%	0.39	21%	0.209	S	C	.	.			trans	-74.9	114	177.1	-173.1	-21.3	0	0	0	110.1	S301 E302 W303	D299-S301 PolarHBondContact O-N 3.32Å; D299-S301 VanDerWaalsContact O-N 3.1Å; D299-S301 WeakPolarHBondContact OD1-CB 3.42Å; D299-S301 PolarHBondContact OD1-N 2.85Å; D299-S301 PolarHBondContact OD1-OG 3.43Å; D299-S301 PolarHBondContact OD2-OG 2.82Å; D299-E302 HydrophobicContact CB-CG 4.21Å; D299-E302 PolarHBondContact O-N 3Å; D299-W303 VanDerWaalsContact O-CD1 3.29Å
300	P	90.6	Very high	88.5	Confident	33 Å²	33	36.6 Å²	36.6	21%	0.214	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-57.1	-27.2	-179.3	-23.7	35	0	0	0	114.3	N298 E302 W303 I324 I327	N298-P300 VanDerWaalsContact O-CD 3.27Å; N298-P300 WeakPolarHBondContact O-CD 3.04Å; P300-E302 VanDerWaalsContact C-N 3.25Å; P300-E302 PolarHBondContact O-N 2.85Å; P300-W303 PolarHBondContact O-N 2.9Å; P300-I324 HydrophobicContact CB-CB 4.4Å; P300-I324 HydrophobicContact CB-CG2 4.17Å; P300-I324 WeakPolarHBondContact CB-O 3.34Å; P300-I327 HydrophobicContact CB-CD1 4.45Å; P300-I327 HydrophobicContact CB-CG1 4.4Å; P300-I327 HydrophobicContact CG-CD1 4.42Å; P300-I327 HydrophobicContact CG-CG1 4.25Å
301	S	89.8	Confident	88	Confident	96 Å²	96	38.7 Å²	38.7	67%	0.671	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-69.9	-20.8	-177	68.9	0	0	0	0	113.7	D299 W303	D299-S301 PolarHBondContact O-N 3.32Å; D299-S301 VanDerWaalsContact O-N 3.1Å; D299-S301 WeakPolarHBondContact OD1-CB 3.42Å; D299-S301 PolarHBondContact OD1-N 2.85Å; D299-S301 PolarHBondContact OD1-OG 3.43Å; D299-S301 PolarHBondContact OD2-OG 2.82Å; S301-W303 VanDerWaalsContact C-N 3.34Å
302	E	91.6	Very high	87.3	Confident	61 Å²	61	39.4 Å²	39.4	29%	0.285	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-87.1	-7.8	178.3	-57.9	-167.9	140.8	0	0	112.9	Y271 H272 D299 P300	Y271-E302 HydrophobicContact CD2-CB 4.01Å; Y271-E302 HydrophobicContact CE2-CB 3.55Å; Y271-E302 HydrophobicContact CE2-CG 4.36Å; Y271-E302 WeakPolarHBondContact CE2-OE2 3.48Å; Y271-E302 VanDerWaalsContact CZ-OE2 3.32Å; Y271-E302 PolarHBondContact OH-OE2 2.87Å; H272-E302 IonicContact CE1-OE1 2.81Å; H272-E302 PolarHBondContact CE1-OE1 2.89Å; H272-E302 PolarHBondContact N-O 2.79Å; H272-E302 VanDerWaalsContact N-O 3.1Å; H272-E302 IonicContact NE2-OE1 3.32Å; D299-E302 HydrophobicContact CB-CG 4.21Å; D299-E302 PolarHBondContact O-N 3Å; P300-E302 VanDerWaalsContact C-N 3.25Å; P300-E302 PolarHBondContact O-N 2.85Å
303	W	93.6	Very high	86.7	Confident	3 Å²	3	39.9 Å²	39.9	1%	0.011	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	138.3	-174.3	-71.3	92.1	0	0	0	113	L269 R270 Y271 T276 C293 F294 A297 D299 P300 S301 I324 I327	L269-W303 HydrophobicContact CB-CE3 4.09Å; L269-W303 HydrophobicContact CB-CZ3 3.93Å; R270-W303 WeakPolarHBondContact O-CA 2.87Å; Y271-W303 HydrophobicContact CD2-CD2 4.06Å; Y271-W303 AromaticContact CD2-CE2 3.58Å; Y271-W303 HydrophobicContact CD2-CG 4.44Å; Y271-W303 AromaticContact CD2-CZ2 3.86Å; Y271-W303 HydrophobicContact CD2-CZ2 3.86Å; Y271-W303 AromaticContact CD2-NE1 3.66Å; Y271-W303 HydrophobicContact CG-CH2 4.5Å; Y271-W303 HydrophobicContact CG-CZ2 4.2Å; T276-W303 HydrophobicContact CG2-CH2 4.04Å; C293-W303 WeakPolarHBondContact O-CH2 3.2Å; C293-W303 WeakPolarHBondContact O-CZ2 3.32Å; F294-W303 HydrophobicContact CD1-CD2 4.26Å; F294-W303 AromaticContact CD1-CE2 3.7Å; F294-W303 HydrophobicContact CD1-CH2 4.31Å; F294-W303 AromaticContact CD1-CZ2 3.74Å; F294-W303 HydrophobicContact CD1-CZ2 3.74Å; F294-W303 AromaticContact CD1-NE1 3.9Å; F294-W303 AromaticContact CE1-CD2 3.82Å; F294-W303 HydrophobicContact CE1-CD2 3.82Å; F294-W303 AromaticContact CE1-CE2 3.73Å; F294-W303 HydrophobicContact CE1-CE3 4.06Å; F294-W303 HydrophobicContact CE1-CG 4.35Å; F294-W303 HydrophobicContact CE1-CH2 4.11Å; F294-W303 AromaticContact CE1-CZ2 3.89Å; F294-W303 HydrophobicContact CE1-CZ2 3.89Å; F294-W303 HydrophobicContact CE1-CZ3 4.19Å; A297-W303 HydrophobicContact CB-CZ2 4.25Å; A297-W303 PolarHBondContact O-NE1 3.47Å; D299-W303 VanDerWaalsContact O-CD1 3.29Å; P300-W303 PolarHBondContact O-N 2.9Å; S301-W303 VanDerWaalsContact C-N 3.34Å; W303-I324 HydrophobicContact CB-CB 4.35Å; W303-I324 HydrophobicContact CB-CG1 3.84Å; W303-I324 PolarHBondContact O-N 2.9Å; W303-I327 HydrophobicContact CB-CD1 4.49Å; W303-I327 HydrophobicContact CG-CD1 4.11Å
304	T	93.8	Very high	86	Confident	8 Å²	8	40.2 Å²	40.2	5%	0.049	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	147.5	171	54.6	0	0	0	0	110.8	R270 T321	R270-T304 PolarHBondContact N-O 2.92Å; R270-T304 PolarHBondContact O-N 3.45Å; T304-T321 HydrophobicContact CG2-CG2 4.25Å
305	A	94.5	Very high	85.4	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	119.3	175.7	0	0	0	0	0	110.2	V267 L269 I287 T321 I322 I324 L347	V267-A305 HydrophobicContact CG1-CB 3.85Å; L269-A305 HydrophobicContact CD2-CB 4.31Å; I287-A305 HydrophobicContact CD1-CB 4.14Å; A305-T321 CarbonylContact O-C 3.51Å; A305-T321 WeakPolarHBondContact O-CA 3.42Å; A305-I322 PolarHBondContact N-O 3.37Å; A305-I322 PolarHBondContact O-N 3.27Å; A305-I324 HydrophobicContact CB-CD1 3.9Å; A305-L347 HydrophobicContact CB-CD2 3.9Å
306	L	93.4	Very high	85.4	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	120.5	169.7	179.9	79.2	0	0	0	109.5	V267 S268 R270 A309 K320 T321	V267-L306 WeakPolarHBondContact CG1-O 3.44Å; S268-L306 PolarHBondContact N-O 3.11Å; S268-L306 PolarHBondContact O-N 3.29Å; R270-L306 VanDerWaalsContact NH2-CD2 3.34Å; L306-A309 HydrophobicContact CD1-CB 4.26Å; L306-A309 HydrophobicContact CD2-CB 3.43Å; L306-A309 VanDerWaalsContact CD2-CB 3.43Å; L306-A309 HydrophobicContact CG-CB 3.73Å; L306-K320 WeakPolarHBondContact CA-O 3.31Å; L306-T321 WeakPolarHBondContact CD1-OG1 3.24Å
307	V	92.8	Very high	85.4	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	155.2	179.8	-60.1	0	0	0	0	111	V267 I281 A309 S319 K320 I322 L351 I357	V267-V307 HydrophobicContact CB-CG1 4.48Å; V267-V307 HydrophobicContact CG1-CG1 3.99Å; V267-V307 HydrophobicContact CG2-CG1 3.92Å; I281-V307 HydrophobicContact CD1-CB 4.4Å; I281-V307 HydrophobicContact CD1-CG1 4.16Å; V307-A309 PolarHBondContact O-N 3.37Å; V307-S319 WeakPolarHBondContact O-CA 3.04Å; V307-K320 HydrophobicContact CG2-CB 3.88Å; V307-K320 WeakPolarHBondContact CG2-O 3.26Å; V307-K320 PolarHBondContact N-O 3.19Å; V307-K320 PolarHBondContact O-N 3.22Å; V307-I322 HydrophobicContact CG2-CD1 4.2Å; V307-L351 HydrophobicContact CB-CD2 4.37Å; V307-L351 HydrophobicContact CG1-CD2 4.13Å; V307-L351 HydrophobicContact CG2-CD2 3.71Å; V307-I357 HydrophobicContact CB-CD1 4.49Å; V307-I357 HydrophobicContact CG2-CD1 3.81Å; V307-I357 HydrophobicContact CG2-CG1 4.38Å
308	G	86.1	Confident	85.3	Confident	8 Å²	8	46.4 Å²	46.4	8%	0.082	27%	0.273	C	S	.	.	S	Bend	trans	69.3	8.8	176.4	0	0	0	0	0	115
309	A	85.2	Confident	85.4	Confident	12 Å²	12	41.7 Å²	41.7	10%	0.099	25%	0.249	C	C	.	.			trans	-95.8	140.3	178.9	0	0	0	0	0	111.6	L306 V307 E316 W380	L306-A309 HydrophobicContact CD1-CB 4.26Å; L306-A309 HydrophobicContact CD2-CB 3.43Å; L306-A309 VanDerWaalsContact CD2-CB 3.43Å; L306-A309 HydrophobicContact CG-CB 3.73Å; V307-A309 PolarHBondContact O-N 3.37Å; A309-E316 WeakPolarHBondContact CA-OE2 3.3Å; A309-W380 WeakPolarHBondContact O-CZ2 3.12Å
310	K	83.6	Confident	85.5	Confident	61 Å²	61	42.5 Å²	42.5	27%	0.265	25%	0.249	S	C	.	.	S	Bend	trans	-89.3	-34.9	159.8	173.5	-174.6	168.3	180	0	110.4	A258 Q260 E316 W380 T393 L394	A258-K310 WeakPolarHBondContact O-CD 3.46Å; A258-K310 WeakPolarHBondContact O-CE 3.09Å; Q260-K310 HydrophobicContact CB-CD 4.47Å; K310-E316 WeakPolarHBondContact CB-OE1 3.36Å; K310-E316 PolarHBondContact N-OE2 3.32Å; K310-W380 PolarHBondContact O-NE1 3.37Å; K310-T393 HydrophobicContact CD-CG2 4.38Å; K310-T393 HydrophobicContact CG-CG2 4.1Å; K310-L394 WeakPolarHBondContact O-CB 3.43Å; K310-L394 PolarHBondContact O-N 2.79Å
311	L	82.5	Confident	85.5	Confident	45 Å²	45	44 Å²	44	24%	0.236	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-91.5	132.7	-178	-61.7	177	0	0	0	112	N313 G314 E316 N392	L311-N313 WeakPolarHBondContact CB-OD1 3.48Å; L311-N313 PolarHBondContact O-N 2.99Å; L311-N313 VanDerWaalsContact O-N 3.14Å; L311-G314 PolarHBondContact O-N 3.03Å; L311-E316 HydrophobicContact CD1-CG 4.2Å; L311-E316 HydrophobicContact CG-CG 4.4Å; L311-E316 PolarHBondContact N-OE2 2.86Å; L311-N392 CarbonylContact C-O 3.43Å; L311-N392 WeakPolarHBondContact CA-O 3.35Å
312	A	78.4	Confident	85.7	Confident	16 Å²	16	40 Å²	40	13%	0.132	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-21.7	178.4	0	0	0	0	0	112.5	R270 W380 N392	R270-A312 PolarHBondContact NH2-O 3.01Å; A312-W380 HydrophobicContact CB-CG 4.12Å; A312-N392 PolarHBondContact N-O 3.22Å; A312-N392 PolarHBondContact N-OD1 3.45Å
313	N	78.2	Confident	85.8	Confident	64 Å²	64	40.9 Å²	40.9	34%	0.342	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-20.4	174.2	66.4	17.7	0	0	0	113.9	R270 L311 I315 N392	R270-N313 PolarHBondContact NH2-O 2.83Å; L311-N313 WeakPolarHBondContact CB-OD1 3.48Å; L311-N313 PolarHBondContact O-N 2.99Å; L311-N313 VanDerWaalsContact O-N 3.14Å; N313-I315 HydrophobicContact CB-CD1 4.27Å; N313-I315 HydrophobicContact CB-CG1 4.22Å; N313-I315 VanDerWaalsContact ND2-CD1 3.34Å; N313-I315 WeakPolarHBondContact ND2-CD1 3.32Å; N313-I315 PolarHBondContact OD1-N 3.24Å; N313-I315 VanDerWaalsContact OD1-N 3.16Å; N313-N392 PolarHBondContact N-OD1 2.81Å; N313-N392 PolarHBondContact ND2-ND2 2.8Å
314	G	76.6	Confident	85.8	Confident	19 Å²	19	41.1 Å²	41.1	20%	0.196	24%	0.237	C	C	.	.			trans	66.4	31	178	0	0	0	0	0	114.8	L311 E316 S319	L311-G314 PolarHBondContact O-N 3.03Å; G314-E316 PolarHBondContact O-N 3.23Å; G314-S319 PolarHBondContact O-OG 3Å
315	I	78.6	Confident	85.8	Confident	139 Å²	139	46.2 Å²	46.2	71%	0.713	26%	0.258	S	S	*	.			trans	-76	-7.3	177.7	-62.5	174.8	0	0	0	111.9	N313	N313-I315 HydrophobicContact CB-CD1 4.27Å; N313-I315 HydrophobicContact CB-CG1 4.22Å; N313-I315 VanDerWaalsContact ND2-CD1 3.34Å; N313-I315 WeakPolarHBondContact ND2-CD1 3.32Å; N313-I315 PolarHBondContact OD1-N 3.24Å; N313-I315 VanDerWaalsContact OD1-N 3.16Å
316	E	78.9	Confident	85.7	Confident	31 Å²	31	47.7 Å²	47.7	15%	0.145	27%	0.269	C	S	.	.	S	Bend	trans	-75.2	138	-174.5	-63.1	170.5	112.4	0	0	112.1	A309 K310 L311 G314 E318 S319	A309-E316 WeakPolarHBondContact CA-OE2 3.3Å; K310-E316 WeakPolarHBondContact CB-OE1 3.36Å; K310-E316 PolarHBondContact N-OE2 3.32Å; L311-E316 HydrophobicContact CD1-CG 4.2Å; L311-E316 HydrophobicContact CG-CG 4.4Å; L311-E316 PolarHBondContact N-OE2 2.86Å; G314-E316 PolarHBondContact O-N 3.23Å; E316-E318 PolarHBondContact O-N 3.25Å; E316-S319 WeakPolarHBondContact O-CB 3.49Å; E316-S319 PolarHBondContact O-N 3.01Å; E316-S319 PolarHBondContact O-OG 2.92Å
317	A	73.6	Confident	85.7	Confident	108 Å²	108	49 Å²	49	89%	0.893	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.2	-178.1	0	0	0	0	0	114.1
318	E	78.5	Confident	85.7	Confident	77 Å²	77	50.7 Å²	50.7	36%	0.36	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-13.8	178.7	-61.1	-63.8	162.5	0	0	113	E316 Y356	E316-E318 PolarHBondContact O-N 3.25Å; E318-Y356 HydrophobicContact CB-CD2 4.05Å; E318-Y356 HydrophobicContact CB-CE2 4.47Å; E318-Y356 HydrophobicContact CB-CG 4.43Å; E318-Y356 HydrophobicContact CG-CD2 3.81Å; E318-Y356 HydrophobicContact CG-CE2 3.75Å
319	S	85.1	Confident	86	Confident	20 Å²	20	52.7 Å²	52.7	14%	0.14	30%	0.295	C	S	.	.			trans	-78.1	140.3	-178.3	73.6	0	0	0	0	111.3	V307 G314 E316	V307-S319 WeakPolarHBondContact O-CA 3.04Å; G314-S319 PolarHBondContact O-OG 3Å; E316-S319 WeakPolarHBondContact O-CB 3.49Å; E316-S319 PolarHBondContact O-N 3.01Å; E316-S319 PolarHBondContact O-OG 2.92Å
320	K	89.5	Confident	86.2	Confident	91 Å²	91	52.6 Å²	52.6	40%	0.396	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	133	176.7	-65.2	-174.8	-177.7	-177.8	0	109.6	L306 V307 T352 I357	L306-K320 WeakPolarHBondContact CA-O 3.31Å; V307-K320 HydrophobicContact CG2-CB 3.88Å; V307-K320 WeakPolarHBondContact CG2-O 3.26Å; V307-K320 PolarHBondContact N-O 3.19Å; V307-K320 PolarHBondContact O-N 3.22Å; K320-T352 PolarHBondContact NZ-OG1 2.88Å; K320-I357 HydrophobicContact CD-CD1 4.48Å
321	T	91.6	Very high	86.4	Confident	64 Å²	64	55 Å²	55	39%	0.393	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	128.5	170.7	-57.7	0	0	0	0	108.5	W273 T304 A305 L306	W273-T321 HydrophobicContact CZ3-CG2 4.23Å; T304-T321 HydrophobicContact CG2-CG2 4.25Å; A305-T321 CarbonylContact O-C 3.51Å; A305-T321 WeakPolarHBondContact O-CA 3.42Å; L306-T321 WeakPolarHBondContact CD1-OG1 3.24Å
322	I	93.3	Very high	86.7	Confident	12 Å²	12	58.5 Å²	58.5	6%	0.062	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	137.2	-174.7	-59	170.1	0	0	0	108.5	A305 V307 L347 T349 L351	A305-I322 PolarHBondContact N-O 3.37Å; A305-I322 PolarHBondContact O-N 3.27Å; V307-I322 HydrophobicContact CG2-CD1 4.2Å; I322-L347 HydrophobicContact CD1-CD1 4.49Å; I322-L347 HydrophobicContact CG2-CB 4.03Å; I322-L347 HydrophobicContact CG2-CD2 4.16Å; I322-T349 WeakPolarHBondContact CG2-OG1 3.44Å; I322-L351 HydrophobicContact CD1-CD2 3.23Å; I322-L351 HydrophobicContact CD1-CG 4.24Å
323	N	93.7	Very high	87.2	Confident	79 Å²	79	59.4 Å²	59.4	42%	0.422	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	153.7	176.4	-55.5	-31.3	0	0	0	111.3	E348	N323-E348 HydrophobicContact CB-CB 4.23Å; N323-E348 VanDerWaalsContact CB-OE2 3.22Å; N323-E348 WeakPolarHBondContact CB-OE2 3.3Å; N323-E348 PolarHBondContact ND2-OE2 2.99Å; N323-E348 WeakPolarHBondContact O-CB 3.46Å; N323-E348 PolarHBondContact O-N 3.44Å
324	I	94.6	Very high	87.7	Confident	8 Å²	8	59.1 Å²	59.1	4%	0.041	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	128.9	174.5	-55.3	-54.2	0	0	0	109.4	I287 P300 W303 A305 S326 I327 L345 L347	I287-I324 HydrophobicContact CD1-CD1 4.37Å; P300-I324 HydrophobicContact CB-CB 4.4Å; P300-I324 HydrophobicContact CB-CG2 4.17Å; P300-I324 WeakPolarHBondContact CB-O 3.34Å; W303-I324 HydrophobicContact CB-CB 4.35Å; W303-I324 HydrophobicContact CB-CG1 3.84Å; W303-I324 PolarHBondContact O-N 2.9Å; A305-I324 HydrophobicContact CB-CD1 3.9Å; I324-S326 WeakPolarHBondContact CG2-O 3.34Å; I324-I327 HydrophobicContact CG2-CD1 4.37Å; I324-I327 HydrophobicContact CG2-CG1 3.67Å; I324-L345 HydrophobicContact CD1-CB 4.5Å; I324-L345 HydrophobicContact CD1-CD2 4.11Å; I324-L345 HydrophobicContact CG1-CD2 4.18Å; I324-L345 HydrophobicContact CG2-CB 4.28Å; I324-L345 HydrophobicContact CG2-CD2 4.02Å; I324-L347 HydrophobicContact CD1-CD2 3.76Å
325	K	92.7	Very high	88	Confident	116 Å²	116	61 Å²	61	50%	0.504	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-41.5	175.5	176.4	176.3	164.6	-150.2	0	112	E346 E348	K325-E346 HydrophobicContact CB-CB 4.41Å; K325-E346 HydrophobicContact CD-CG 4.45Å; K325-E346 WeakPolarHBondContact CD-OE2 3.2Å; K325-E346 WeakPolarHBondContact CE-OE2 3.29Å; K325-E346 PolarHBondContact N-O 2.02Å; K325-E346 IonicContact NZ-OE1 3.34Å; K325-E346 PolarHBondContact NZ-OE1 2.84Å; K325-E346 IonicContact NZ-OE2 3.96Å; K325-E346 PolarHBondContact NZ-OE2 3.19Å; K325-E348 HydrophobicContact CB-CB 4.34Å
326	S	93	Very high	88.2	Confident	31 Å²	31	62.5 Å²	62.5	22%	0.217	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	146.5	178.6	66.2	0	0	0	0	111.8	I324 L345 E346	I324-S326 WeakPolarHBondContact CG2-O 3.34Å; S326-L345 WeakPolarHBondContact O-CA 3.26Å; S326-E346 PolarHBondContact N-O 3.26Å; S326-E346 PolarHBondContact O-N 3.01Å; S326-E346 WeakPolarHBondContact OG-CB 3.43Å; S326-E346 PolarHBondContact OG-OE2 3.19Å; S326-E346 VanDerWaalsContact OG-OE2 3.11Å
327	I	93.7	Very high	88.5	Confident	29 Å²	29	64.2 Å²	64.2	15%	0.149	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	121.3	177	-59.9	172.8	0	0	0	107.3	F294 P300 W303 I324 V329 T343 L345	F294-I327 HydrophobicContact CB-CG2 4.25Å; F294-I327 HydrophobicContact CD1-CD1 3.82Å; F294-I327 HydrophobicContact CD1-CG2 3.8Å; F294-I327 HydrophobicContact CD2-CG2 4.32Å; F294-I327 HydrophobicContact CE1-CD1 3.96Å; F294-I327 HydrophobicContact CE1-CG2 4.21Å; F294-I327 HydrophobicContact CG-CG2 3.84Å; P300-I327 HydrophobicContact CB-CD1 4.45Å; P300-I327 HydrophobicContact CB-CG1 4.4Å; P300-I327 HydrophobicContact CG-CD1 4.42Å; P300-I327 HydrophobicContact CG-CG1 4.25Å; W303-I327 HydrophobicContact CB-CD1 4.49Å; W303-I327 HydrophobicContact CG-CD1 4.11Å; I324-I327 HydrophobicContact CG2-CD1 4.37Å; I324-I327 HydrophobicContact CG2-CG1 3.67Å; I327-V329 HydrophobicContact CG2-CG2 4.13Å; I327-T343 HydrophobicContact CG2-CG2 3.75Å; I327-L345 HydrophobicContact CG1-CD2 3.96Å; I327-L345 HydrophobicContact CG1-CG 4.42Å
328	I	92.7	Very high	89.1	Confident	34 Å²	34	60.3 Å²	60.3	17%	0.174	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	90.9	-176.3	-52	173.3	0	0	0	108	W286 T343 V344 F481 Y485	W286-I328 HydrophobicContact CH2-CD1 3.96Å; W286-I328 HydrophobicContact CZ3-CD1 3.84Å; I328-T343 WeakPolarHBondContact O-CA 2.99Å; I328-T343 WeakPolarHBondContact O-CG2 3.41Å; I328-V344 WeakPolarHBondContact CB-O 3.35Å; I328-V344 PolarHBondContact N-O 3.37Å; I328-V344 PolarHBondContact O-N 3.06Å; I328-F481 HydrophobicContact CG2-CZ 4.3Å; I328-Y485 HydrophobicContact CD1-CD1 3.57Å; I328-Y485 HydrophobicContact CD1-CE1 4.01Å; I328-Y485 HydrophobicContact CD1-CG 3.92Å; I328-Y485 HydrophobicContact CG2-CD1 4.37Å; I328-Y485 HydrophobicContact CG2-CD2 4.22Å; I328-Y485 HydrophobicContact CG2-CE1 3.96Å; I328-Y485 HydrophobicContact CG2-CE2 3.84Å; I328-Y485 HydrophobicContact CG2-CG 4.48Å
329	V	91.6	Very high	89.6	Confident	51 Å²	51	58.1 Å²	58.1	31%	0.309	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	139.7	175.5	-175.2	0	0	0	0	109.3	A291 F294 I327 P331 T343	A291-V329 HydrophobicContact CB-CG1 3.7Å; F294-V329 HydrophobicContact CB-CG2 3.99Å; I327-V329 HydrophobicContact CG2-CG2 4.13Å; V329-P331 WeakPolarHBondContact O-CD 3.29Å; V329-T343 HydrophobicContact CG2-CG2 4.27Å
330	N	89.9	Confident	89.8	Confident	9 Å²	9	57.6 Å²	57.6	5%	0.048	31%	0.308	C	S	.	.			trans	-60.1	121.8	177.1	-173.7	-17.8	0	0	0	110.4	E332 Y333 M342 F481	N330-E332 PolarHBondContact O-N 3.24Å; N330-E332 PolarHBondContact OD1-N 3.47Å; N330-Y333 WeakPolarHBondContact O-CB 3.1Å; N330-Y333 PolarHBondContact O-N 3.01Å; N330-M342 WeakPolarHBondContact CB-O 3.25Å; N330-M342 PolarHBondContact N-O 3.05Å; N330-M342 VanDerWaalsContact N-O 3.14Å; N330-F481 VanDerWaalsContact CA-CZ 3.4Å; N330-F481 HydrophobicContact CB-CD1 4.26Å; N330-F481 HydrophobicContact CB-CD2 4.37Å; N330-F481 HydrophobicContact CB-CE1 3.84Å; N330-F481 HydrophobicContact CB-CE2 3.97Å; N330-F481 HydrophobicContact CB-CZ 3.7Å
331	P	87.4	Confident	89.9	Confident	111 Å²	111	53.3 Å²	53.3	72%	0.721	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-18.9	-177.5	27	-36	0	0	0	113.2	V329 Y333	V329-P331 WeakPolarHBondContact O-CD 3.29Å; P331-Y333 VanDerWaalsContact C-N 3.33Å
332	E	88.4	Confident	89.9	Confident	120 Å²	120	50.2 Å²	50.2	56%	0.561	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	6.4	174.2	-57.3	-174.9	-179.1	0	0	113.2	N330 D334 N340 K420	N330-E332 PolarHBondContact O-N 3.24Å; N330-E332 PolarHBondContact OD1-N 3.47Å; E332-D334 PolarHBondContact O-N 3.1Å; E332-N340 HydrophobicContact CB-CB 4.25Å; E332-N340 WeakPolarHBondContact CB-ND2 3.21Å; E332-N340 WeakPolarHBondContact O-CB 3.5Å; E332-N340 PolarHBondContact O-ND2 3.45Å; E332-N340 PolarHBondContact OE2-ND2 2.94Å; E332-K420 IonicContact OE2-NZ 2.62Å; E332-K420 PolarHBondContact OE2-NZ 2.75Å
333	Y	89.8	Confident	90	Very high	35 Å²	35	49.7 Å²	49.7	14%	0.137	27%	0.268	C	S	.	.			trans	-63.1	127.5	176.5	175.5	-115.2	0	0	0	110.8	A291 H292 N330 P331 P335 N339 D341	A291-Y333 HydrophobicContact CB-CD1 3.73Å; A291-Y333 HydrophobicContact CB-CD2 3.57Å; A291-Y333 HydrophobicContact CB-CE1 4.11Å; A291-Y333 HydrophobicContact CB-CE2 3.97Å; A291-Y333 HydrophobicContact CB-CG 3.45Å; A291-Y333 VanDerWaalsContact CB-CG 3.45Å; H292-Y333 WeakPolarHBondContact CB-OH 3.42Å; N330-Y333 WeakPolarHBondContact O-CB 3.1Å; N330-Y333 PolarHBondContact O-N 3.01Å; P331-Y333 VanDerWaalsContact C-N 3.33Å; Y333-P335 HydrophobicContact CE1-CB 3.97Å; Y333-N339 WeakPolarHBondContact CA-O 3.37Å; Y333-N339 VanDerWaalsContact CD2-O 3.25Å; Y333-N339 WeakPolarHBondContact CD2-O 3.32Å; Y333-D341 HydrophobicContact CD2-CB 4.09Å; Y333-D341 HydrophobicContact CE2-CB 3.8Å
334	D	87.6	Confident	90	Very high	58 Å²	58	45.9 Å²	45.9	31%	0.31	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-113.3	111.1	176	173.9	8.6	0	0	0	109.3	E332 M336 T337 S338 N339	E332-D334 PolarHBondContact O-N 3.1Å; D334-M336 PolarHBondContact O-N 2.97Å; D334-M336 WeakPolarHBondContact OD1-CB 3.46Å; D334-M336 PolarHBondContact OD1-N 3.49Å; D334-T337 WeakPolarHBondContact CB-OG1 3.17Å; D334-T337 PolarHBondContact O-N 3.01Å; D334-T337 WeakPolarHBondContact OD2-CB 3.43Å; D334-T337 VanDerWaalsContact OD2-CG2 3.28Å; D334-T337 WeakPolarHBondContact OD2-CG2 2.93Å; D334-T337 PolarHBondContact OD2-OG1 3.06Å; D334-S338 WeakPolarHBondContact O-CA 3.03Å; D334-S338 PolarHBondContact O-N 2.79Å; D334-N339 PolarHBondContact N-O 3.11Å; D334-N339 VanDerWaalsContact N-O 3.09Å; D334-N339 PolarHBondContact O-N 3.29Å
335	P	84.7	Confident	90	Very high	59 Å²	59	45.5 Å²	45.5	38%	0.383	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-20.9	-177.3	28.8	-35.1	0	0	0	113.6	E295 Y333	E295-P335 WeakPolarHBondContact OE1-CB 3.2Å; Y333-P335 HydrophobicContact CE1-CB 3.97Å
336	M	82.4	Confident	90	Very high	169 Å²	169	41.2 Å²	41.2	83%	0.833	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-34.6	179.4	-65.6	-59.4	-60.9	0	0	112.3	D334	D334-M336 PolarHBondContact O-N 2.97Å; D334-M336 WeakPolarHBondContact OD1-CB 3.46Å; D334-M336 PolarHBondContact OD1-N 3.49Å
337	T	83.9	Confident	90	Very high	67 Å²	67	39.7 Å²	39.7	41%	0.411	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-7.5	-180	62.1	0	0	0	0	113	D334 N339 M421	D334-T337 WeakPolarHBondContact CB-OG1 3.17Å; D334-T337 PolarHBondContact O-N 3.01Å; D334-T337 WeakPolarHBondContact OD2-CB 3.43Å; D334-T337 VanDerWaalsContact OD2-CG2 3.28Å; D334-T337 WeakPolarHBondContact OD2-CG2 2.93Å; D334-T337 PolarHBondContact OD2-OG1 3.06Å; T337-N339 PolarHBondContact O-N 2.63Å; T337-N339 VanDerWaalsContact O-N 3.14Å; T337-N339 VanDerWaalsContact OG1-CB 3.3Å; T337-N339 WeakPolarHBondContact OG1-CB 3.49Å; T337-N339 PolarHBondContact OG1-N 3.09Å; T337-M421 WeakPolarHBondContact O-CE 3.2Å
338	S	86.5	Confident	89.9	Confident	27 Å²	27	43.4 Å²	43.4	19%	0.189	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	26.8	-169.4	-51.4	0	0	0	0	112.8	D334 D341 M421	D334-S338 WeakPolarHBondContact O-CA 3.03Å; D334-S338 PolarHBondContact O-N 2.79Å; S338-D341 WeakPolarHBondContact O-CB 3.49Å; S338-M421 WeakPolarHBondContact O-CE 3.18Å
339	N	89.4	Confident	89.8	Confident	31 Å²	31	45.3 Å²	45.3	17%	0.166	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-79.3	148.6	178	-164.9	29.5	0	0	0	109.8	Y333 D334 T337 D341 T418 M421	Y333-N339 WeakPolarHBondContact CA-O 3.37Å; Y333-N339 VanDerWaalsContact CD2-O 3.25Å; Y333-N339 WeakPolarHBondContact CD2-O 3.32Å; D334-N339 PolarHBondContact N-O 3.11Å; D334-N339 VanDerWaalsContact N-O 3.09Å; D334-N339 PolarHBondContact O-N 3.29Å; T337-N339 PolarHBondContact O-N 2.63Å; T337-N339 VanDerWaalsContact O-N 3.14Å; T337-N339 VanDerWaalsContact OG1-CB 3.3Å; T337-N339 WeakPolarHBondContact OG1-CB 3.49Å; T337-N339 PolarHBondContact OG1-N 3.09Å; N339-D341 PolarHBondContact O-N 3.45Å; N339-T418 HydrophobicContact CB-CG2 4.48Å; N339-T418 PolarHBondContact OD1-OG1 3.46Å; N339-M421 HydrophobicContact CB-CE 4Å
340	N	89.3	Confident	89.6	Confident	8 Å²	8	46.2 Å²	46.2	4%	0.043	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	30	-175	-67.6	-56.7	0	0	0	114.4	E332 M342 K420 L478	E332-N340 HydrophobicContact CB-CB 4.25Å; E332-N340 WeakPolarHBondContact CB-ND2 3.21Å; E332-N340 WeakPolarHBondContact O-CB 3.5Å; E332-N340 PolarHBondContact O-ND2 3.45Å; E332-N340 PolarHBondContact OE2-ND2 2.94Å; N340-M342 VanDerWaalsContact C-N 3.27Å; N340-M342 PolarHBondContact O-N 2.84Å; N340-K420 PolarHBondContact ND2-NZ 3.21Å; N340-K420 WeakPolarHBondContact OD1-CD 3.48Å; N340-K420 WeakPolarHBondContact OD1-CE 3.45Å; N340-K420 PolarHBondContact OD1-NZ 2.87Å; N340-L478 VanDerWaalsContact OD1-CD2 3.31Å; N340-L478 WeakPolarHBondContact OD1-CD2 3.47Å
341	D	91.1	Very high	89.5	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	25%	0.253	C	S	.	.			trans	-70.4	75.7	-176.7	-169	20.9	0	0	0	113.2	A291 H292 Y333 S338 N339 S458 A473	A291-D341 VanDerWaalsContact CA-OD1 3.31Å; A291-D341 WeakPolarHBondContact CA-OD1 3.2Å; A291-D341 WeakPolarHBondContact CB-OD1 3.41Å; A291-D341 PolarHBondContact N-OD1 3.15Å; H292-D341 IonicContact CE1-OD2 2.71Å; H292-D341 IonicContact CG-OD1 3.45Å; H292-D341 IonicContact CG-OD2 2.74Å; H292-D341 PolarHBondContact N-OD1 3.48Å; H292-D341 IonicContact ND1-OD1 2.67Å; H292-D341 PolarHBondContact ND1-OD1 2.88Å; H292-D341 IonicContact ND1-OD2 2.86Å; H292-D341 PolarHBondContact ND1-OD2 3.09Å; Y333-D341 HydrophobicContact CD2-CB 4.09Å; Y333-D341 HydrophobicContact CE2-CB 3.8Å; S338-D341 WeakPolarHBondContact O-CB 3.49Å; N339-D341 PolarHBondContact O-N 3.45Å; D341-S458 WeakPolarHBondContact CB-OG 3.46Å; D341-S458 WeakPolarHBondContact OD2-CA 3.25Å; D341-S458 VanDerWaalsContact OD2-CB 3.26Å; D341-S458 WeakPolarHBondContact OD2-CB 3.44Å; D341-S458 PolarHBondContact OD2-OG 2.82Å; D341-A473 VanDerWaalsContact O-CB 3.31Å; D341-A473 WeakPolarHBondContact O-CB 3.23Å
342	M	93	Very high	89.4	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.242	C	C	.	.			trans	-149.2	135.9	-176.8	-174.1	161.7	-81.4	0	0	111.2	V288 S289 N330 N340 V456 V475 L478 F481 I482	V288-M342 HydrophobicContact CG1-CE 4.19Å; V288-M342 HydrophobicContact CG1-CG 4.18Å; V288-M342 HydrophobicContact CG1-SD 4.46Å; S289-M342 WeakPolarHBondContact O-CA 3.27Å; N330-M342 WeakPolarHBondContact CB-O 3.25Å; N330-M342 PolarHBondContact N-O 3.05Å; N330-M342 VanDerWaalsContact N-O 3.14Å; N340-M342 VanDerWaalsContact C-N 3.27Å; N340-M342 PolarHBondContact O-N 2.84Å; M342-V456 HydrophobicContact CE-CB 4.38Å; M342-V456 HydrophobicContact CE-CG2 3.62Å; M342-V475 HydrophobicContact CE-CG2 3.85Å; M342-L478 HydrophobicContact CB-CD1 4.1Å; M342-L478 HydrophobicContact CE-CB 4.12Å; M342-L478 HydrophobicContact CE-CD1 4.14Å; M342-L478 HydrophobicContact SD-CB 3.55Å; M342-L478 VanDerWaalsContact SD-CB 3.55Å; M342-L478 HydrophobicContact SD-CD1 4.17Å; M342-L478 HydrophobicContact SD-CG 4.49Å; M342-F481 HydrophobicContact CG-CD1 4.1Å; M342-F481 HydrophobicContact CG-CE1 4.25Å; M342-F481 HydrophobicContact SD-CD1 4.44Å; M342-I482 HydrophobicContact CE-CD1 4.11Å; M342-I482 HydrophobicContact SD-CD1 3.58Å; M342-I482 VanDerWaalsContact SD-CD1 3.58Å; M342-I482 HydrophobicContact SD-CG1 3.5Å; M342-I482 VanDerWaalsContact SD-CG1 3.5Å
343	T	94.1	Very high	89.2	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	142.2	176.9	-70.3	0	0	0	0	109.5	V288 S289 A290 A291 F294 I327 I328 V329 L345	V288-T343 WeakPolarHBondContact CA-O 3.4Å; S289-T343 PolarHBondContact N-O 2.94Å; S289-T343 PolarHBondContact O-N 2.73Å; A290-T343 PolarHBondContact O-OG1 3.21Å; A291-T343 WeakPolarHBondContact CA-OG1 3.36Å; F294-T343 HydrophobicContact CD2-CG2 3.73Å; F294-T343 HydrophobicContact CE2-CG2 3.71Å; F294-T343 HydrophobicContact CZ-CG2 4.46Å; I327-T343 HydrophobicContact CG2-CG2 3.75Å; I328-T343 WeakPolarHBondContact O-CA 2.99Å; I328-T343 WeakPolarHBondContact O-CG2 3.41Å; V329-T343 HydrophobicContact CG2-CG2 4.27Å; T343-L345 HydrophobicContact CG2-CD1 3.9Å; T343-L345 HydrophobicContact CG2-CG 4.18Å
344	V	94.1	Very high	88.8	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	132.4	172.5	179.1	0	0	0	0	108.1	W286 V288 I328 F481 I482 T486	W286-V344 HydrophobicContact CD2-CG1 4.29Å; W286-V344 HydrophobicContact CE3-CG1 3.36Å; W286-V344 HydrophobicContact CZ3-CG1 3.73Å; V288-V344 HydrophobicContact CG2-CG2 4.18Å; I328-V344 WeakPolarHBondContact CB-O 3.35Å; I328-V344 PolarHBondContact N-O 3.37Å; I328-V344 PolarHBondContact O-N 3.06Å; V344-F481 HydrophobicContact CG2-CD1 4.25Å; V344-F481 HydrophobicContact CG2-CE1 3.82Å; V344-F481 HydrophobicContact CG2-CZ 4.47Å; V344-I482 HydrophobicContact CG2-CG2 4.45Å; V344-T486 HydrophobicContact CG1-CG2 3.94Å
345	L	94.1	Very high	88.4	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136	178	-57.2	90.6	0	0	0	110.9	L269 W286 I287 F294 I324 S326 I327 T343	L269-L345 HydrophobicContact CD2-CD2 4.19Å; W286-L345 WeakPolarHBondContact CA-O 3.41Å; I287-L345 HydrophobicContact CD1-CB 4.17Å; I287-L345 HydrophobicContact CD1-CD1 4.45Å; I287-L345 HydrophobicContact CG1-CB 3.7Å; I287-L345 HydrophobicContact CG1-CD1 4.12Å; I287-L345 HydrophobicContact CG1-CG 4.44Å; I287-L345 PolarHBondContact N-O 3.39Å; I287-L345 PolarHBondContact O-N 3.45Å; F294-L345 HydrophobicContact CE1-CD2 3.74Å; F294-L345 HydrophobicContact CE2-CD1 4.14Å; F294-L345 HydrophobicContact CE2-CD2 4.45Å; F294-L345 HydrophobicContact CZ-CD1 3.86Å; F294-L345 HydrophobicContact CZ-CD2 3.49Å; F294-L345 VanDerWaalsContact CZ-CD2 3.49Å; F294-L345 HydrophobicContact CZ-CG 4.12Å; I324-L345 HydrophobicContact CD1-CB 4.5Å; I324-L345 HydrophobicContact CD1-CD2 4.11Å; I324-L345 HydrophobicContact CG1-CD2 4.18Å; I324-L345 HydrophobicContact CG2-CB 4.28Å; I324-L345 HydrophobicContact CG2-CD2 4.02Å; S326-L345 WeakPolarHBondContact O-CA 3.26Å; I327-L345 HydrophobicContact CG1-CD2 3.96Å; I327-L345 HydrophobicContact CG1-CG 4.42Å; T343-L345 HydrophobicContact CG2-CD1 3.9Å; T343-L345 HydrophobicContact CG2-CG 4.18Å
346	E	93.9	Very high	88.3	Confident	25 Å²	25	41.4 Å²	41.4	12%	0.117	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	126.3	172.9	-162.1	-171	174.4	0	0	109.8	R285 W286 K325 S326	R285-E346 HydrophobicContact CG-CG 3.78Å; W286-E346 HydrophobicContact CD2-CB 4.43Å; W286-E346 HydrophobicContact CD2-CG 4.34Å; W286-E346 HydrophobicContact CE3-CB 3.86Å; W286-E346 HydrophobicContact CE3-CG 4.25Å; W286-E346 HydrophobicContact CH2-CB 3.77Å; W286-E346 HydrophobicContact CH2-CG 3.89Å; W286-E346 HydrophobicContact CZ2-CB 4.31Å; W286-E346 HydrophobicContact CZ2-CG 3.94Å; W286-E346 HydrophobicContact CZ3-CB 3.52Å; W286-E346 HydrophobicContact CZ3-CG 4.05Å; K325-E346 HydrophobicContact CB-CB 4.41Å; K325-E346 HydrophobicContact CD-CG 4.45Å; K325-E346 WeakPolarHBondContact CD-OE2 3.2Å; K325-E346 WeakPolarHBondContact CE-OE2 3.29Å; K325-E346 PolarHBondContact N-O 2.02Å; K325-E346 IonicContact NZ-OE1 3.34Å; K325-E346 PolarHBondContact NZ-OE1 2.84Å; K325-E346 IonicContact NZ-OE2 3.96Å; K325-E346 PolarHBondContact NZ-OE2 3.19Å; S326-E346 PolarHBondContact N-O 3.26Å; S326-E346 PolarHBondContact O-N 3.01Å; S326-E346 WeakPolarHBondContact OG-CB 3.43Å; S326-E346 PolarHBondContact OG-OE2 3.19Å; S326-E346 VanDerWaalsContact OG-OE2 3.11Å
347	L	92.6	Very high	88.6	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	139.7	173	-59.9	176.9	0	0	0	110.5	R285 I287 A305 I322 I324 L351	R285-L347 PolarHBondContact NH1-O 3.03Å; R285-L347 WeakPolarHBondContact O-CB 3.45Å; R285-L347 PolarHBondContact O-N 3.3Å; I287-L347 HydrophobicContact CD1-CD2 4.11Å; I287-L347 HydrophobicContact CG2-CD1 4.07Å; I287-L347 HydrophobicContact CG2-CD2 4.46Å; I287-L347 HydrophobicContact CG2-CG 4.33Å; A305-L347 HydrophobicContact CB-CD2 3.9Å; I322-L347 HydrophobicContact CD1-CD1 4.49Å; I322-L347 HydrophobicContact CG2-CB 4.03Å; I322-L347 HydrophobicContact CG2-CD2 4.16Å; I324-L347 HydrophobicContact CD1-CD2 3.76Å; L347-L351 HydrophobicContact CD1-CD1 3.6Å; L347-L351 HydrophobicContact CD1-CD2 4.04Å; L347-L351 HydrophobicContact CD1-CG 3.56Å
348	E	91.8	Very high	88.7	Confident	106 Å²	106	31.3 Å²	31.3	50%	0.495	17%	0.172	S	C	.	.	S	Bend	trans	-60.6	-50.8	175.5	-175	175.6	-161.3	0	0	110.8	R285 N323 K325	R285-E348 PolarHBondContact NH1-O 3.38Å; R285-E348 VanDerWaalsContact NH1-O 3.14Å; N323-E348 HydrophobicContact CB-CB 4.23Å; N323-E348 VanDerWaalsContact CB-OE2 3.22Å; N323-E348 WeakPolarHBondContact CB-OE2 3.3Å; N323-E348 PolarHBondContact ND2-OE2 2.99Å; N323-E348 WeakPolarHBondContact O-CB 3.46Å; N323-E348 PolarHBondContact O-N 3.44Å; K325-E348 HydrophobicContact CB-CB 4.34Å
349	T	89.5	Confident	88.9	Confident	74 Å²	74	30.2 Å²	30.2	45%	0.454	17%	0.165	S	C	.	.	S	Bend	trans	-105.3	137.1	177.1	58.4	0	0	0	0	111.3	I322	I322-T349 WeakPolarHBondContact CG2-OG1 3.44Å
350	P	88.6	Confident	88.9	Confident	70 Å²	70	28.8 Å²	28.8	46%	0.455	16%	0.157	S	C	.	.			trans	-70.6	139	178	29.3	-33.2	0	0	0	111.3	K284	K284-P350 HydrophobicContact CB-CB 4.49Å; K284-P350 CarbonylContact O-C 3.19Å; K284-P350 WeakPolarHBondContact O-CA 3.45Å
351	L	87.7	Confident	88.9	Confident	7 Å²	7	28.6 Å²	28.6	4%	0.037	16%	0.156	C	C	.	.			trans	-65.3	141.2	176.3	-65.5	169.6	0	0	0	112	I281 K284 V307 I322 L347 F353 I357	I281-L351 HydrophobicContact CD1-CD1 4.01Å; I281-L351 HydrophobicContact CG1-CD1 4.19Å; I281-L351 HydrophobicContact CG2-CD1 3.65Å; K284-L351 WeakPolarHBondContact O-CB 3.28Å; K284-L351 PolarHBondContact O-N 3.16Å; V307-L351 HydrophobicContact CB-CD2 4.37Å; V307-L351 HydrophobicContact CG1-CD2 4.13Å; V307-L351 HydrophobicContact CG2-CD2 3.71Å; I322-L351 HydrophobicContact CD1-CD2 3.23Å; I322-L351 HydrophobicContact CD1-CG 4.24Å; L347-L351 HydrophobicContact CD1-CD1 3.6Å; L347-L351 HydrophobicContact CD1-CD2 4.04Å; L347-L351 HydrophobicContact CD1-CG 3.56Å; L351-F353 HydrophobicContact CB-CD1 4.4Å; L351-F353 HydrophobicContact CB-CE1 4.17Å; L351-I357 HydrophobicContact CB-CG2 4.44Å; L351-I357 HydrophobicContact CD1-CG2 4.42Å; L351-I357 HydrophobicContact CD2-CG2 4.23Å
352	T	85.7	Confident	88.7	Confident	81 Å²	81	30.1 Å²	30.1	50%	0.497	16%	0.164	S	C	.	.			trans	-99.2	111.2	168.6	35.4	0	0	0	0	107.9	K320	K320-T352 PolarHBondContact NZ-OG1 2.88Å
353	F	84.5	Confident	88.3	Confident	36 Å²	36	30.1 Å²	30.1	16%	0.158	16%	0.164	C	C	.	.			trans	-72.9	134.1	-179	-62.9	-30.6	0	0	0	111	I239 I281 K284 L351 I357 P359	I239-F353 HydrophobicContact CG2-CD2 4.47Å; I281-F353 HydrophobicContact CG2-CE1 4.2Å; K284-F353 HydrophobicContact CB-CZ 4.28Å; K284-F353 HydrophobicContact CD-CE2 4.41Å; K284-F353 HydrophobicContact CG-CD2 4.14Å; K284-F353 HydrophobicContact CG-CE1 4.13Å; K284-F353 HydrophobicContact CG-CE2 3.51Å; K284-F353 HydrophobicContact CG-CZ 3.51Å; L351-F353 HydrophobicContact CB-CD1 4.4Å; L351-F353 HydrophobicContact CB-CE1 4.17Å; F353-I357 VanDerWaalsContact CA-O 3.27Å; F353-I357 WeakPolarHBondContact CA-O 3.41Å; F353-I357 HydrophobicContact CD1-CG2 4.25Å; F353-P359 HydrophobicContact CE1-CG 4.3Å; F353-P359 HydrophobicContact CE2-CG 3.81Å; F353-P359 HydrophobicContact CZ-CB 4.12Å; F353-P359 HydrophobicContact CZ-CG 3.67Å
354	N	80.9	Confident	87.2	Confident	49 Å²	49	30.7 Å²	30.7	26%	0.262	17%	0.168	S	C	.	.			trans	-146.3	-168.5	178.5	67.4	18	0	0	0	108.8	Y356 I357 Q358	N354-Y356 PolarHBondContact O-N 3.34Å; N354-Y356 VanDerWaalsContact O-N 3.16Å; N354-Y356 WeakPolarHBondContact OD1-CA 3.42Å; N354-Y356 PolarHBondContact OD1-N 3.04Å; N354-I357 PolarHBondContact N-O 3.02Å; N354-I357 PolarHBondContact O-N 3.07Å; N354-I357 VanDerWaalsContact O-O 3.07Å; N354-I357 PolarHBondContact OD1-N 3.02Å; N354-Q358 WeakPolarHBondContact O-CG 3.16Å; N354-Q358 PolarHBondContact O-NE2 3.25Å
355	S	78.3	Confident	86.1	Confident	54 Å²	54	34.5 Å²	34.5	38%	0.378	19%	0.193	S	C	.	.	S	Bend	trans	-64.5	-19.1	-178.2	-54.2	0	0	0	0	114.6	A247	A247-S355 VanDerWaalsContact CB-O 3.23Å; A247-S355 WeakPolarHBondContact CB-O 3.39Å; A247-S355 PolarHBondContact N-O 2.91Å
356	Y	83.1	Confident	84.9	Confident	64 Å²	64	35.7 Å²	35.7	25%	0.251	20%	0.201	S	C	.	.	S	Bend	trans	-108.1	-16.2	-176	-54.4	-73.7	0	0	0	113.7	A247 Q260 G261 P264 E318 N354	A247-Y356 HydrophobicContact CB-CD1 4.16Å; A247-Y356 HydrophobicContact CB-CE1 3.98Å; Q260-Y356 HydrophobicContact CG-CD1 4.1Å; Q260-Y356 HydrophobicContact CG-CE1 3.87Å; G261-Y356 VanDerWaalsContact CA-CD1 3.48Å; P264-Y356 WeakPolarHBondContact CA-O 3.38Å; P264-Y356 VanDerWaalsContact CB-C 3.49Å; P264-Y356 VanDerWaalsContact CB-O 3.27Å; P264-Y356 WeakPolarHBondContact CB-O 3.13Å; E318-Y356 HydrophobicContact CB-CD2 4.05Å; E318-Y356 HydrophobicContact CB-CE2 4.47Å; E318-Y356 HydrophobicContact CB-CG 4.43Å; E318-Y356 HydrophobicContact CG-CD2 3.81Å; E318-Y356 HydrophobicContact CG-CE2 3.75Å; N354-Y356 PolarHBondContact O-N 3.34Å; N354-Y356 VanDerWaalsContact O-N 3.16Å; N354-Y356 WeakPolarHBondContact OD1-CA 3.42Å; N354-Y356 PolarHBondContact OD1-N 3.04Å
357	I	87.8	Confident	84.3	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.197	C	C	.	.			trans	-126.6	106.3	-178.7	-55.8	173.8	0	0	0	107.8	P264 I281 V307 K320 L351 F353 N354	P264-I357 WeakPolarHBondContact O-CA 3.26Å; I281-I357 HydrophobicContact CD1-CG2 3.78Å; V307-I357 HydrophobicContact CB-CD1 4.49Å; V307-I357 HydrophobicContact CG2-CD1 3.81Å; V307-I357 HydrophobicContact CG2-CG1 4.38Å; K320-I357 HydrophobicContact CD-CD1 4.48Å; L351-I357 HydrophobicContact CB-CG2 4.44Å; L351-I357 HydrophobicContact CD1-CG2 4.42Å; L351-I357 HydrophobicContact CD2-CG2 4.23Å; F353-I357 VanDerWaalsContact CA-O 3.27Å; F353-I357 WeakPolarHBondContact CA-O 3.41Å; F353-I357 HydrophobicContact CD1-CG2 4.25Å; N354-I357 PolarHBondContact N-O 3.02Å; N354-I357 PolarHBondContact O-N 3.07Å; N354-I357 VanDerWaalsContact O-O 3.07Å; N354-I357 PolarHBondContact OD1-N 3.02Å
358	Q	87.1	Confident	83.8	Confident	25 Å²	25	38.2 Å²	38.2	12%	0.117	22%	0.217	C	C	.	.			trans	-142.7	150.8	179.4	-70.2	-67.8	-30.2	0	0	110.3	P246 P264 W265 N354	P246-Q358 HydrophobicContact CG-CG 3.79Å; P264-Q358 CarbonylContact C-O 3.59Å; P264-Q358 HydrophobicContact CB-CB 3.9Å; P264-Q358 HydrophobicContact CB-CG 4.21Å; P264-Q358 HydrophobicContact CG-CB 3.81Å; P264-Q358 HydrophobicContact CG-CG 4.23Å; P264-Q358 PolarHBondContact O-N 2.86Å; P264-Q358 VanDerWaalsContact O-N 3.1Å; W265-Q358 WeakPolarHBondContact CA-O 3.31Å; W265-Q358 VanDerWaalsContact CB-O 3.29Å; W265-Q358 WeakPolarHBondContact CB-O 3.31Å; W265-Q358 PolarHBondContact N-O 3.21Å; N354-Q358 WeakPolarHBondContact O-CG 3.16Å; N354-Q358 PolarHBondContact O-NE2 3.25Å
359	P	90.1	Very high	83.6	Confident	4 Å²	4	34.2 Å²	34.2	3%	0.026	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-78.3	151.2	175.3	29.7	-28.9	0	0	0	112.1	C242 G243 I281 I282 F353	C242-P359 CarbonylContact C-O 3.55Å; C242-P359 WeakPolarHBondContact CA-O 3.31Å; C242-P359 HydrophobicContact CB-CB 4.48Å; C242-P359 HydrophobicContact CB-CG 4.21Å; G243-P359 PolarHBondContact N-O 3.09Å; I281-P359 HydrophobicContact CG2-CB 4.2Å; I281-P359 CarbonylContact O-C 3.44Å; I281-P359 VanDerWaalsContact O-CA 3.27Å; I281-P359 WeakPolarHBondContact O-CA 3.48Å; I282-P359 WeakPolarHBondContact O-CB 3.21Å; F353-P359 HydrophobicContact CE1-CG 4.3Å; F353-P359 HydrophobicContact CE2-CG 3.81Å; F353-P359 HydrophobicContact CZ-CB 4.12Å; F353-P359 HydrophobicContact CZ-CG 3.67Å
360	V	90.8	Very high	83.4	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.006	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-89.2	148.8	167.2	67	0	0	0	0	110.6	W265 I281 I282 V443 L453	W265-V360 HydrophobicContact CB-CB 3.86Å; W265-V360 HydrophobicContact CB-CG1 4.38Å; W265-V360 HydrophobicContact CD2-CB 4Å; W265-V360 HydrophobicContact CD2-CG2 4.3Å; W265-V360 HydrophobicContact CE3-CB 4.31Å; W265-V360 HydrophobicContact CG-CB 3.78Å; W265-V360 HydrophobicContact CG-CG2 4.42Å; I281-V360 WeakPolarHBondContact O-CG1 3.26Å; I281-V360 PolarHBondContact O-N 3.22Å; I282-V360 HydrophobicContact CD1-CG1 3.96Å; V360-V443 HydrophobicContact CG2-CG1 3.62Å; V360-L453 HydrophobicContact CG1-CB 3.95Å; V360-L453 HydrophobicContact CG1-CD1 4.47Å; V360-L453 HydrophobicContact CG1-CD2 4.29Å; V360-L453 HydrophobicContact CG1-CG 4.46Å; V360-L453 HydrophobicContact CG2-CB 4.03Å
361	C	87.4	Confident	83.4	Confident	4 Å²	4	34.1 Å²	34.1	3%	0.027	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-76.1	139.3	177.8	-63.5	0	0	0	0	112.3	C242 R450 F451 F452 L453	C242-C361 HydrophobicContact CB-CB 4.04Å; C242-C361 WeakPolarHBondContact CB-SG 3.37Å; C242-C361 PolarHBondContact O-SG 2.8Å; C242-C361 WeakPolarHBondContact SG-CA 3.28Å; C242-C361 WeakPolarHBondContact SG-CB 3.3Å; C242-C361 CovalentContact SG-SG 2.05Å; C242-C361 PolarHBondContact SG-SG 2.96Å; C361-R450 PolarHBondContact SG-NH1 3.34Å; C361-F451 WeakPolarHBondContact CB-O 3.36Å; C361-F451 PolarHBondContact N-O 2.81Å; C361-F452 HydrophobicContact CB-CD1 3.56Å; C361-F452 HydrophobicContact CB-CE1 3.75Å; C361-F452 HydrophobicContact CB-CG 4.19Å; C361-F452 WeakPolarHBondContact O-CA 3.46Å; C361-L453 PolarHBondContact O-N 2.81Å
362	I	86.8	Confident	83.2	Confident	32 Å²	32	35.7 Å²	35.7	16%	0.164	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-85.8	124.8	168.4	-63.4	179.3	0	0	0	108.4	I282 R479 I482 L483	I282-I362 HydrophobicContact CD1-CD1 4.25Å; I282-I362 HydrophobicContact CD1-CG1 4.04Å; I282-I362 HydrophobicContact CG1-CD1 4.48Å; I282-I362 HydrophobicContact CG2-CD1 3.46Å; I282-I362 VanDerWaalsContact CG2-CD1 3.46Å; I282-I362 HydrophobicContact CG2-CG1 4.1Å; I362-R479 HydrophobicContact CG2-CG 3.8Å; I362-I482 HydrophobicContact CD1-CB 4.43Å; I362-I482 HydrophobicContact CD1-CG2 3.63Å; I362-L483 HydrophobicContact CD1-CD2 4.07Å
363	P	84.6	Confident	83.2	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-68.1	150.4	178.3	28.4	-35	0	0	0	112	H367 F369 F452 L453 V475 T476 R479	P363-H367 HydrophobicContact CB-CB 3.81Å; P363-F369 HydrophobicContact CB-CE2 4.3Å; P363-F369 HydrophobicContact CB-CZ 4.02Å; P363-F369 HydrophobicContact CG-CE2 4.16Å; P363-F369 HydrophobicContact CG-CZ 4.11Å; P363-F452 HydrophobicContact CB-CB 4.42Å; P363-F452 HydrophobicContact CB-CD1 4.16Å; P363-L453 WeakPolarHBondContact CD-O 3.42Å; P363-L453 WeakPolarHBondContact CG-O 3.21Å; P363-V475 HydrophobicContact CG-CG1 4.06Å; P363-T476 HydrophobicContact CB-CG2 4.06Å; P363-T476 HydrophobicContact CG-CG2 3.78Å; P363-R479 WeakPolarHBondContact O-CD 3.11Å; P363-R479 PolarHBondContact O-NE 2.9Å; P363-R479 VanDerWaalsContact O-NE 3.17Å
364	P	72.4	Confident	83.2	Confident	12 Å²	12	35 Å²	35	8%	0.078	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-66.3	159	168.7	24.6	-28.9	0	0	0	111.4	A208 S366 H367	A208-P364 HydrophobicContact CB-CB 4.39Å; A208-P364 HydrophobicContact CB-CG 3.87Å; P364-S366 PolarHBondContact O-N 2.87Å; P364-H367 HydrophobicContact CG-CB 3.94Å; P364-H367 WeakPolarHBondContact O-CB 3.46Å; P364-H367 PolarHBondContact O-N 2.87Å
365	P	69.9	Low	83.6	Confident	81 Å²	81	32.8 Å²	32.8	53%	0.526	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-27.6	-177.2	25	-33	0	0	0	113.4	H367	P365-H367 VanDerWaalsContact C-N 3.3Å
366	S	70.5	Confident	84.1	Confident	24 Å²	24	30.9 Å²	30.9	17%	0.168	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-3.5	175.1	55.4	0	0	0	0	113.7	P364 V368	P364-S366 PolarHBondContact O-N 2.87Å; S366-V368 PolarHBondContact O-N 2.97Å
367	H	80	Confident	84.4	Confident	10 Å²	10	28 Å²	28	5%	0.046	17%	0.171	C	C	.	.			trans	-68.8	126.5	-179.5	-159.9	98.7	0	0	0	110.9	N206 P363 P364 P365 F369 T476	N206-H367 WeakPolarHBondContact OD1-CA 2.98Å; P363-H367 HydrophobicContact CB-CB 3.81Å; P364-H367 HydrophobicContact CG-CB 3.94Å; P364-H367 WeakPolarHBondContact O-CB 3.46Å; P364-H367 PolarHBondContact O-N 2.87Å; P365-H367 VanDerWaalsContact C-N 3.3Å; H367-F369 AromaticContact CD2-CD1 3.89Å; H367-F369 AromaticContact CD2-CE1 3.47Å; H367-F369 VanDerWaalsContact CD2-CE1 3.47Å; H367-F369 WeakPolarHBondContact CD2-CE1 3.47Å; H367-F369 AromaticContact CD2-CE2 3.86Å; H367-F369 AromaticContact CD2-CZ 3.46Å; H367-F369 VanDerWaalsContact CD2-CZ 3.46Å; H367-F369 WeakPolarHBondContact CD2-CZ 3.1Å; H367-F369 AromaticContact NE2-CD1 3.93Å; H367-F369 AromaticContact NE2-CE1 3.42Å; H367-F369 WeakPolarHBondContact NE2-CE1 3.47Å; H367-F369 AromaticContact NE2-CZ 3.83Å; H367-T476 HydrophobicContact CB-CG2 4.3Å
368	V	82.8	Confident	84.4	Confident	68 Å²	68	28.2 Å²	28.2	41%	0.412	17%	0.172	S	C	.	.			trans	-108.5	120.6	179.5	-175.2	0	0	0	0	109.6	N206 S366 E370	N206-V368 PolarHBondContact ND2-O 2.89Å; N206-V368 PolarHBondContact OD1-N 2.72Å; S366-V368 PolarHBondContact O-N 2.97Å; V368-E370 VanDerWaalsContact CG1-OE1 3.3Å; V368-E370 WeakPolarHBondContact CG1-OE1 3.2Å
369	F	88.1	Confident	84.4	Confident	22 Å²	22	27.1 Å²	27.1	10%	0.096	17%	0.168	C	C	.	.			trans	-93.1	115.2	167.7	-60.3	-71.6	0	0	0	109.2	P363 H367 I401 C444 F452 A454 T476	P363-F369 HydrophobicContact CB-CE2 4.3Å; P363-F369 HydrophobicContact CB-CZ 4.02Å; P363-F369 HydrophobicContact CG-CE2 4.16Å; P363-F369 HydrophobicContact CG-CZ 4.11Å; H367-F369 AromaticContact CD2-CD1 3.89Å; H367-F369 AromaticContact CD2-CE1 3.47Å; H367-F369 VanDerWaalsContact CD2-CE1 3.47Å; H367-F369 WeakPolarHBondContact CD2-CE1 3.47Å; H367-F369 AromaticContact CD2-CE2 3.86Å; H367-F369 AromaticContact CD2-CZ 3.46Å; H367-F369 VanDerWaalsContact CD2-CZ 3.46Å; H367-F369 WeakPolarHBondContact CD2-CZ 3.1Å; H367-F369 AromaticContact NE2-CD1 3.93Å; H367-F369 AromaticContact NE2-CE1 3.42Å; H367-F369 WeakPolarHBondContact NE2-CE1 3.47Å; H367-F369 AromaticContact NE2-CZ 3.83Å; F369-I401 HydrophobicContact CB-CG1 4.41Å; F369-C444 HydrophobicContact CD1-CB 3.75Å; F369-C444 HydrophobicContact CE1-CB 3.72Å; F369-F452 HydrophobicContact CE1-CB 4.32Å; F369-F452 HydrophobicContact CZ-CB 4.15Å; F369-A454 HydrophobicContact CD1-CB 3.99Å; F369-A454 HydrophobicContact CD2-CB 3.77Å; F369-A454 HydrophobicContact CE1-CB 3.78Å; F369-A454 VanDerWaalsContact CE2-CA 3.48Å; F369-A454 HydrophobicContact CE2-CB 3.54Å; F369-A454 HydrophobicContact CG-CB 3.98Å; F369-A454 HydrophobicContact CZ-CB 3.54Å; F369-T476 HydrophobicContact CD2-CG2 4.31Å; F369-T476 HydrophobicContact CE2-CG2 3.78Å
370	E	84.8	Confident	84.2	Confident	76 Å²	76	27 Å²	27	36%	0.355	17%	0.167	S	C	.	.			trans	-77.9	142.7	-170.3	-74.2	-62.1	147.5	0	0	112.9	K205 V368 G372 Q373 I401	K205-E370 WeakPolarHBondContact CE-OE1 2.98Å; K205-E370 IonicContact NZ-OE1 3Å; K205-E370 PolarHBondContact NZ-OE1 3.13Å; K205-E370 IonicContact NZ-OE2 3.19Å; V368-E370 VanDerWaalsContact CG1-OE1 3.3Å; V368-E370 WeakPolarHBondContact CG1-OE1 3.2Å; E370-G372 PolarHBondContact O-N 3.47Å; E370-Q373 VanDerWaalsContact N-OE1 3.09Å; E370-Q373 WeakPolarHBondContact O-CB 3.43Å; E370-Q373 PolarHBondContact O-N 2.85Å; E370-I401 WeakPolarHBondContact O-CB 3.09Å
371	P	87.2	Confident	83.7	Confident	67 Å²	67	27.1 Å²	27.1	44%	0.435	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	128.6	167.3	-24.3	34.8	0	0	0	111.1	D403	P371-D403 HydrophobicContact CB-CB 3.99Å; P371-D403 HydrophobicContact CG-CB 3.84Å
372	G	84.4	Confident	82.9	Confident	40 Å²	40	27.2 Å²	27.2	41%	0.412	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	-9.8	-175.4	0	0	0	0	0	115.2	E370 S374 I401	E370-G372 PolarHBondContact O-N 3.47Å; G372-S374 PolarHBondContact O-N 3.4Å; G372-I401 PolarHBondContact N-O 3.21Å
373	Q	85.7	Confident	82	Confident	43 Å²	43	31.3 Å²	31.3	20%	0.201	19%	0.191	C	C	.	.			trans	-59.6	133.6	174.3	-176.7	173.7	-3.4	0	0	110.3	E370 K400 I401 E445	E370-Q373 VanDerWaalsContact N-OE1 3.09Å; E370-Q373 WeakPolarHBondContact O-CB 3.43Å; E370-Q373 PolarHBondContact O-N 2.85Å; Q373-K400 CarbonylContact O-C 3.56Å; Q373-K400 VanDerWaalsContact O-CA 3.28Å; Q373-K400 WeakPolarHBondContact O-CA 3.37Å; Q373-I401 HydrophobicContact CB-CG1 4.23Å; Q373-I401 PolarHBondContact O-N 2.98Å; Q373-E445 PolarHBondContact NE2-O 3.2Å
374	S	85.6	Confident	80.8	Confident	60 Å²	60	38 Å²	38	42%	0.42	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	125.9	179.5	-61.5	0	0	0	0	110.3	G372	G372-S374 PolarHBondContact O-N 3.4Å
375	C	88.6	Confident	80.2	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.007	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	165.4	-179.2	-55.1	0	0	0	0	109.7	L398 V399 I401 L442 V443 C444	C375-L398 WeakPolarHBondContact O-CA 3.2Å; C375-V399 HydrophobicContact CB-CG2 4.44Å; C375-V399 PolarHBondContact N-O 3.16Å; C375-V399 PolarHBondContact O-N 3.24Å; C375-V399 VanDerWaalsContact O-O 3.14Å; C375-I401 HydrophobicContact CB-CD1 4.43Å; C375-L442 HydrophobicContact CB-CD1 3.8Å; C375-L442 HydrophobicContact CB-CG 4.34Å; C375-V443 CarbonylContact C-O 3.11Å; C375-V443 WeakPolarHBondContact CA-O 3.36Å; C375-V443 WeakPolarHBondContact CB-O 3.18Å; C375-C444 HydrophobicContact CB-CB 4.05Å; C375-C444 WeakPolarHBondContact CB-SG 3.38Å; C375-C444 WeakPolarHBondContact SG-CB 3.4Å; C375-C444 CovalentContact SG-SG 2.03Å; C375-C444 PolarHBondContact SG-SG 2.82Å
376	I	88.6	Confident	79.7	Confident	14 Å²	14	45.6 Å²	45.6	7%	0.072	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.1	-177.2	-56.9	158	0	0	0	108	R251 L263 K396 A397 V443 F451	R251-I376 VanDerWaalsContact CZ-CD1 3.45Å; R251-I376 VanDerWaalsContact NH1-CD1 3.33Å; L263-I376 HydrophobicContact CD2-CG2 4.39Å; I376-K396 HydrophobicContact CG2-CB 4.24Å; I376-A397 WeakPolarHBondContact CA-O 3.3Å; I376-V443 HydrophobicContact CB-CG2 4.05Å; I376-V443 PolarHBondContact N-O 3.03Å; I376-V443 WeakPolarHBondContact O-CG2 3.13Å; I376-V443 PolarHBondContact O-N 3.2Å; I376-F451 HydrophobicContact CD1-CE1 3.83Å
377	V	88.5	Confident	79.2	Confident	5 Å²	5	46.3 Å²	46.3	3%	0.03	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	145.7	167.3	63.8	0	0	0	0	108.8	K396 A397 V399 L442 V457 Y472	V377-K396 CarbonylContact O-C 3.53Å; V377-K396 VanDerWaalsContact O-CA 3.32Å; V377-K396 WeakPolarHBondContact O-CA 3.43Å; V377-A397 HydrophobicContact CG1-CB 3.81Å; V377-A397 PolarHBondContact N-O 3.12Å; V377-A397 PolarHBondContact O-N 3.42Å; V377-V399 HydrophobicContact CB-CG2 4.46Å; V377-V399 HydrophobicContact CG1-CG1 3.92Å; V377-V399 HydrophobicContact CG1-CG2 4.29Å; V377-L442 HydrophobicContact CB-CD1 4.28Å; V377-V457 HydrophobicContact CG2-CG2 3.78Å; V377-Y472 HydrophobicContact CG2-CE1 4.07Å
378	S	88.8	Confident	78.2	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.021	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	150.9	-179.2	51.3	0	0	0	0	113.3	L263 Q266 Q395	L263-S378 WeakPolarHBondContact CD1-OG 3.31Å; Q266-S378 PolarHBondContact OE1-O 2.65Å; Q266-S378 PolarHBondContact OE1-OG 3.12Å; S378-Q395 VanDerWaalsContact CA-O 3.22Å; S378-Q395 WeakPolarHBondContact CA-O 3.44Å; S378-Q395 VanDerWaalsContact CB-O 3.3Å; S378-Q395 WeakPolarHBondContact CB-O 3.38Å
379	G	87.1	Confident	77.2	Confident	2 Å²	2	55.9 Å²	55.9	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.1	-178.7	178.2	0	0	0	0	0	113.1	Q395 D437	G379-Q395 PolarHBondContact N-O 3.32Å; G379-Q395 VanDerWaalsContact N-O 3.13Å; G379-Q395 PolarHBondContact O-N 3.21Å; G379-D437 WeakPolarHBondContact CA-OD1 3.43Å
380	W	85.7	Confident	76.3	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.008	32%	0.318	C	S	.	.	S	Bend	trans	-109.1	25.9	176.6	-64.6	-94.3	0	0	0	111	Q266 A309 K310 A312 V390 P391 L394 D437	Q266-W380 HydrophobicContact CG-CE3 4.5Å; Q266-W380 HydrophobicContact CG-CH2 3.62Å; Q266-W380 HydrophobicContact CG-CZ3 3.48Å; Q266-W380 VanDerWaalsContact CG-CZ3 3.48Å; A309-W380 WeakPolarHBondContact O-CZ2 3.12Å; K310-W380 PolarHBondContact O-NE1 3.37Å; A312-W380 HydrophobicContact CB-CG 4.12Å; W380-V390 VanDerWaalsContact O-CB 3.23Å; W380-V390 WeakPolarHBondContact O-CB 3.41Å; W380-V390 WeakPolarHBondContact O-CG1 3.02Å; W380-P391 WeakPolarHBondContact O-CD 3.39Å; W380-L394 HydrophobicContact CD2-CB 4.39Å; W380-L394 HydrophobicContact CD2-CD1 3.78Å; W380-L394 HydrophobicContact CE3-CD1 3.82Å; W380-L394 HydrophobicContact CH2-CD1 3.81Å; W380-L394 HydrophobicContact CH2-CD2 4.34Å; W380-L394 HydrophobicContact CH2-CG 4.44Å; W380-L394 HydrophobicContact CZ2-CB 3.69Å; W380-L394 HydrophobicContact CZ2-CD1 3.77Å; W380-L394 HydrophobicContact CZ2-CD2 4.22Å; W380-L394 HydrophobicContact CZ2-CG 4.09Å; W380-L394 HydrophobicContact CZ3-CD1 3.84Å; W380-L394 VanDerWaalsContact NE1-CA 3.32Å; W380-D437 PolarHBondContact N-OD1 2.91Å
381	G	79.5	Confident	75.8	Confident	3 Å²	3	55.7 Å²	55.7	3%	0.031	31%	0.307	C	S	.	.			trans	-69.4	165.6	177.6	0	0	0	0	0	113.6	L383 P391 Q435 D437	G381-L383 PolarHBondContact O-N 2.99Å; G381-P391 WeakPolarHBondContact O-CD 3.44Å; G381-P391 WeakPolarHBondContact O-CG 3.3Å; G381-Q435 CarbonylContact C-O 3.55Å; G381-Q435 WeakPolarHBondContact CA-O 3.19Å; G381-D437 VanDerWaalsContact CA-OD1 3.28Å; G381-D437 WeakPolarHBondContact CA-OD1 3.09Å; G381-D437 PolarHBondContact N-OD1 2.99Å
382	A	71.4	Confident	75.4	Confident	6 Å²	6	55.9 Å²	55.9	5%	0.05	30%	0.304	C	S	.	.			trans	-58.8	132.3	-177.7	0	0	0	0	0	111.9	Q384 S387 C434 Q435	A382-Q384 PolarHBondContact O-N 3.05Å; A382-S387 WeakPolarHBondContact CB-O 3.42Å; A382-C434 WeakPolarHBondContact O-CB 3.12Å; A382-Q435 HydrophobicContact CB-CB 4.48Å; A382-Q435 PolarHBondContact N-O 3.16Å
383	L	67.7	Low	75.2	Confident	118 Å²	118	55.3 Å²	55.3	62%	0.618	29%	0.293	S	S	*	.	S	Bend	trans	-72	-13.3	179.2	-63.6	177.7	0	0	0	113.6	G381 P391 Q395	G381-L383 PolarHBondContact O-N 2.99Å; L383-P391 HydrophobicContact CD1-CB 4.35Å; L383-P391 HydrophobicContact CD2-CG 4.25Å; L383-P391 HydrophobicContact CG-CB 4.41Å; L383-P391 HydrophobicContact CG-CG 4.18Å; L383-Q395 HydrophobicContact CD2-CG 3.85Å
384	Q	60.3	Low	75.1	Confident	141 Å²	141	53.5 Å²	53.5	66%	0.659	29%	0.285	S	S	*	.	S	Bend	trans	-143.8	143.5	-178.6	-62.2	-178.5	6.1	0	0	110	A382 F386 S387	A382-Q384 PolarHBondContact O-N 3.05Å; Q384-F386 PolarHBondContact O-N 2.81Å; Q384-F386 VanDerWaalsContact O-N 3.08Å; Q384-S387 WeakPolarHBondContact O-CB 3.31Å; Q384-S387 PolarHBondContact O-N 3.03Å
385	Q	58.1	Low	74.9	Confident	67 Å²	67	52.2 Å²	52.2	31%	0.313	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-32.2	-173.5	-179.6	175.3	-17	0	0	115.1	G462 C463	Q385-G462 VanDerWaalsContact CD-CA 3.48Å; Q385-C463 HydrophobicContact CB-CB 4.22Å
386	F	60.2	Low	74.7	Confident	185 Å²	185	52.5 Å²	52.5	81%	0.811	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	6.7	-177.7	-54.7	-67.2	0	0	0	113.4	Q384	Q384-F386 PolarHBondContact O-N 2.81Å; Q384-F386 VanDerWaalsContact O-N 3.08Å
387	S	60.5	Low	74.2	Confident	40 Å²	40	52.6 Å²	52.6	28%	0.28	28%	0.276	S	S	.	.			trans	-85.2	128.2	177.7	-179.3	0	0	0	0	110.2	A382 Q384 H389	A382-S387 WeakPolarHBondContact CB-O 3.42Å; Q384-S387 WeakPolarHBondContact O-CB 3.31Å; Q384-S387 PolarHBondContact O-N 3.03Å; S387-H389 VanDerWaalsContact C-N 3.27Å; S387-H389 PolarHBondContact OG-N 2.82Å; S387-H389 VanDerWaalsContact OG-N 3.08Å; S387-H389 PolarHBondContact OG-O 2.88Å
388	T	58.2	Low	73.8	Confident	131 Å²	131	55 Å²	55	80%	0.804	29%	0.289	S	S	*	.			trans	-83.6	-5.4	167.5	52.3	0	0	0	0	112.7
389	H	62.3	Low	73.6	Confident	148 Å²	148	54.9 Å²	54.9	69%	0.685	29%	0.288	S	S	*	.			trans	-91.5	114.5	-179.1	-65.2	79.4	0	0	0	110.1	S387	S387-H389 VanDerWaalsContact C-N 3.27Å; S387-H389 PolarHBondContact OG-N 2.82Å; S387-H389 VanDerWaalsContact OG-N 3.08Å; S387-H389 PolarHBondContact OG-O 2.88Å
390	V	70	Confident	73.7	Confident	73 Å²	73	59 Å²	59	44%	0.442	31%	0.305	S	S	.	.			trans	-82.1	136.5	169.4	-73.6	0	0	0	0	110.1	W380	W380-V390 VanDerWaalsContact O-CB 3.23Å; W380-V390 WeakPolarHBondContact O-CB 3.41Å; W380-V390 WeakPolarHBondContact O-CG1 3.02Å
391	P	72.8	Confident	73.9	Confident	20 Å²	20	59.4 Å²	59.4	13%	0.13	31%	0.307	C	S	.	.			trans	-63.9	139.7	176	27.6	-34.4	0	0	0	110.6	W380 G381 L383 T393 Q395	W380-P391 WeakPolarHBondContact O-CD 3.39Å; G381-P391 WeakPolarHBondContact O-CD 3.44Å; G381-P391 WeakPolarHBondContact O-CG 3.3Å; L383-P391 HydrophobicContact CD1-CB 4.35Å; L383-P391 HydrophobicContact CD2-CG 4.25Å; L383-P391 HydrophobicContact CG-CB 4.41Å; L383-P391 HydrophobicContact CG-CG 4.18Å; P391-T393 PolarHBondContact O-N 3.35Å; P391-Q395 HydrophobicContact CB-CG 4.37Å; P391-Q395 HydrophobicContact CG-CG 3.87Å
392	N	78.6	Confident	74.5	Confident	71 Å²	71	60.2 Å²	60.2	38%	0.38	31%	0.311	S	S	.	.	S	Bend	trans	-72.9	-18.5	174.1	-167.5	36	0	0	0	111.9	L311 A312 N313	L311-N392 CarbonylContact C-O 3.43Å; L311-N392 WeakPolarHBondContact CA-O 3.35Å; A312-N392 PolarHBondContact N-O 3.22Å; A312-N392 PolarHBondContact N-OD1 3.45Å; N313-N392 PolarHBondContact N-OD1 2.81Å; N313-N392 PolarHBondContact ND2-ND2 2.8Å
393	T	81.3	Confident	75.4	Confident	28 Å²	28	63 Å²	63	17%	0.172	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-103	135.7	179.9	-58	0	0	0	0	110.6	D257 K310 P391 Q395	D257-T393 HydrophobicContact CB-CG2 3.84Å; K310-T393 HydrophobicContact CD-CG2 4.38Å; K310-T393 HydrophobicContact CG-CG2 4.1Å; P391-T393 PolarHBondContact O-N 3.35Å; T393-Q395 PolarHBondContact O-N 3.19Å; T393-Q395 PolarHBondContact O-NE2 3.31Å
394	L	83.6	Confident	76.4	Confident	6 Å²	6	59.3 Å²	59.3	3%	0.031	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-56.1	128.7	175.5	178.5	61.9	0	0	0	110.4	A258 L263 Q266 K310 W380	A258-L394 HydrophobicContact CB-CB 4.04Å; A258-L394 HydrophobicContact CB-CD2 3.93Å; A258-L394 HydrophobicContact CB-CG 3.81Å; A258-L394 VanDerWaalsContact CB-O 3.28Å; A258-L394 WeakPolarHBondContact CB-O 3.35Å; A258-L394 PolarHBondContact N-O 3.05Å; L263-L394 HydrophobicContact CB-CD2 4.43Å; L263-L394 HydrophobicContact CD1-CD2 4.42Å; Q266-L394 HydrophobicContact CB-CD2 4.29Å; Q266-L394 HydrophobicContact CG-CD1 3.8Å; Q266-L394 HydrophobicContact CG-CD2 4.04Å; K310-L394 WeakPolarHBondContact O-CB 3.43Å; K310-L394 PolarHBondContact O-N 2.79Å; W380-L394 HydrophobicContact CD2-CB 4.39Å; W380-L394 HydrophobicContact CD2-CD1 3.78Å; W380-L394 HydrophobicContact CE3-CD1 3.82Å; W380-L394 HydrophobicContact CH2-CD1 3.81Å; W380-L394 HydrophobicContact CH2-CD2 4.34Å; W380-L394 HydrophobicContact CH2-CG 4.44Å; W380-L394 HydrophobicContact CZ2-CB 3.69Å; W380-L394 HydrophobicContact CZ2-CD1 3.77Å; W380-L394 HydrophobicContact CZ2-CD2 4.22Å; W380-L394 HydrophobicContact CZ2-CG 4.09Å; W380-L394 HydrophobicContact CZ3-CD1 3.84Å; W380-L394 VanDerWaalsContact NE1-CA 3.32Å
395	Q	81.5	Confident	77.7	Confident	33 Å²	33	60.9 Å²	60.9	15%	0.154	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	152.6	177.1	-58.7	-60.5	-50.1	0	0	110.4	D257 S378 G379 L383 P391 T393	D257-Q395 PolarHBondContact OD1-NE2 3.16Å; D257-Q395 PolarHBondContact OD1-OE1 3.14Å; S378-Q395 VanDerWaalsContact CA-O 3.22Å; S378-Q395 WeakPolarHBondContact CA-O 3.44Å; S378-Q395 VanDerWaalsContact CB-O 3.3Å; S378-Q395 WeakPolarHBondContact CB-O 3.38Å; G379-Q395 PolarHBondContact N-O 3.32Å; G379-Q395 VanDerWaalsContact N-O 3.13Å; G379-Q395 PolarHBondContact O-N 3.21Å; L383-Q395 HydrophobicContact CD2-CG 3.85Å; P391-Q395 HydrophobicContact CB-CG 4.37Å; P391-Q395 HydrophobicContact CG-CG 3.87Å; T393-Q395 PolarHBondContact O-N 3.19Å; T393-Q395 PolarHBondContact O-NE2 3.31Å
396	K	83.8	Confident	79.2	Confident	6 Å²	6	58.9 Å²	58.9	3%	0.026	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	145.8	170.2	76.6	-165.2	-179.5	-170.3	0	109.6	G255 E256 A258 E262 L263 I376 V377	G255-K396 WeakPolarHBondContact CA-O 3.17Å; E256-K396 WeakPolarHBondContact OE1-CE 3.22Å; E256-K396 IonicContact OE1-NZ 2.95Å; E256-K396 PolarHBondContact OE1-NZ 3.08Å; A258-K396 HydrophobicContact CB-CD 4.35Å; E262-K396 VanDerWaalsContact CD-CD 3.5Å; E262-K396 VanDerWaalsContact OE1-CD 3.23Å; E262-K396 WeakPolarHBondContact OE1-CD 3.48Å; E262-K396 WeakPolarHBondContact OE1-CE 3.47Å; E262-K396 IonicContact OE1-NZ 3.63Å; E262-K396 PolarHBondContact OE1-NZ 3.34Å; E262-K396 WeakPolarHBondContact OE2-CD 3.36Å; E262-K396 IonicContact OE2-NZ 3.87Å; E262-K396 PolarHBondContact OE2-NZ 3.07Å; L263-K396 HydrophobicContact CD1-CB 3.95Å; I376-K396 HydrophobicContact CG2-CB 4.24Å; V377-K396 CarbonylContact O-C 3.53Å; V377-K396 VanDerWaalsContact O-CA 3.32Å; V377-K396 WeakPolarHBondContact O-CA 3.43Å
397	A	77.9	Confident	80.6	Confident	16 Å²	16	50 Å²	50	13%	0.132	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	146.1	175	0	0	0	0	0	110.7	I376 V377 V431	I376-A397 WeakPolarHBondContact CA-O 3.3Å; V377-A397 HydrophobicContact CG1-CB 3.81Å; V377-A397 PolarHBondContact N-O 3.12Å; V377-A397 PolarHBondContact O-N 3.42Å; A397-V431 HydrophobicContact CB-CG1 3.59Å
398	L	81.1	Confident	82.1	Confident	56 Å²	56	50.8 Å²	50.8	29%	0.293	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	121.2	172.7	-172.4	145.3	0	0	0	108.7	C375 F426	C375-L398 WeakPolarHBondContact O-CA 3.2Å; L398-F426 WeakPolarHBondContact O-CE2 3.33Å
399	V	83.9	Confident	83.5	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	157.2	-179.3	-66.6	0	0	0	0	109.8	C375 V377 A424 V431 L442	C375-V399 HydrophobicContact CB-CG2 4.44Å; C375-V399 PolarHBondContact N-O 3.16Å; C375-V399 PolarHBondContact O-N 3.24Å; C375-V399 VanDerWaalsContact O-O 3.14Å; V377-V399 HydrophobicContact CB-CG2 4.46Å; V377-V399 HydrophobicContact CG1-CG1 3.92Å; V377-V399 HydrophobicContact CG1-CG2 4.29Å; V399-A424 HydrophobicContact CB-CB 4.31Å; V399-A424 HydrophobicContact CG2-CB 3.93Å; V399-V431 HydrophobicContact CG1-CG1 4.29Å; V399-L442 HydrophobicContact CG2-CD1 3.47Å; V399-L442 VanDerWaalsContact CG2-CD1 3.47Å
400	K	88.3	Confident	84.7	Confident	89 Å²	89	46.7 Å²	46.7	39%	0.387	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	140.2	176.1	-68.5	-172.4	177.5	-173.4	0	110.8	Q373 I402 A424 G425 F426	Q373-K400 CarbonylContact O-C 3.56Å; Q373-K400 VanDerWaalsContact O-CA 3.28Å; Q373-K400 WeakPolarHBondContact O-CA 3.37Å; K400-I402 PolarHBondContact O-N 2.84Å; K400-A424 CarbonylContact O-C 3.51Å; K400-A424 WeakPolarHBondContact O-CA 3.36Å; K400-G425 PolarHBondContact O-N 3.33Å; K400-F426 HydrophobicContact CD-CE1 4.13Å; K400-F426 HydrophobicContact CG-CE1 4.22Å; K400-F426 HydrophobicContact CG-CZ 4.36Å
401	I	91.6	Very high	85.3	Confident	11 Å²	11	46.3 Å²	46.3	6%	0.056	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	133.2	172.1	-58.3	-49.5	0	0	0	109.4	F369 E370 G372 Q373 C375 M422 A424 L442	F369-I401 HydrophobicContact CB-CG1 4.41Å; E370-I401 WeakPolarHBondContact O-CB 3.09Å; G372-I401 PolarHBondContact N-O 3.21Å; Q373-I401 HydrophobicContact CB-CG1 4.23Å; Q373-I401 PolarHBondContact O-N 2.98Å; C375-I401 HydrophobicContact CB-CD1 4.43Å; I401-M422 HydrophobicContact CD1-CE 3.47Å; I401-M422 VanDerWaalsContact CD1-CE 3.47Å; I401-M422 HydrophobicContact CG1-CE 4.34Å; I401-M422 HydrophobicContact CG2-CE 4.32Å; I401-A424 HydrophobicContact CD1-CB 3.94Å; I401-L442 HydrophobicContact CD1-CD2 4.06Å
402	I	90.4	Very high	86	Confident	20 Å²	20	45.4 Å²	45.4	10%	0.103	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	135.5	176.6	-61.4	172.1	0	0	0	108	K400 A406 C407 C423 L427 P469	K400-I402 PolarHBondContact O-N 2.84Å; I402-A406 HydrophobicContact CG2-CB 4.19Å; I402-C407 HydrophobicContact CG2-CB 4.22Å; I402-C423 HydrophobicContact CB-CB 4.05Å; I402-C423 PolarHBondContact N-O 2.67Å; I402-L427 HydrophobicContact CD1-CD2 4.18Å; I402-L427 HydrophobicContact CD1-CG 4.42Å; I402-P469 HydrophobicContact CD1-CB 3.42Å; I402-P469 VanDerWaalsContact CD1-CB 3.42Å; I402-P469 HydrophobicContact CD1-CG 3.7Å
403	D	91.4	Very high	86.4	Confident	64 Å²	64	42.5 Å²	42.5	34%	0.342	23%	0.231	S	C	.	.			trans	-56.7	140.3	177.3	177.8	58.8	0	0	0	111.5	P371 K405 A406 C407	P371-D403 HydrophobicContact CB-CB 3.99Å; P371-D403 HydrophobicContact CG-CB 3.84Å; D403-K405 VanDerWaalsContact C-N 3.28Å; D403-K405 PolarHBondContact O-N 3.42Å; D403-K405 WeakPolarHBondContact OD2-CA 3.4Å; D403-K405 WeakPolarHBondContact OD2-CB 3.4Å; D403-K405 PolarHBondContact OD2-N 3.19Å; D403-A406 HydrophobicContact CB-CB 4.14Å; D403-A406 PolarHBondContact O-N 2.71Å; D403-A406 PolarHBondContact OD2-N 2.89Å; D403-C407 PolarHBondContact O-N 3.22Å
404	S	88.6	Confident	86.7	Confident	41 Å²	41	50.7 Å²	50.7	29%	0.287	26%	0.259	S	S	.	.	H	α-helix	trans	-64	-34.4	-175.8	-57.5	0	0	0	0	111.9	C407 N408 R474	S404-C407 PolarHBondContact O-N 3.48Å; S404-N408 VanDerWaalsContact O-CB 3.29Å; S404-N408 WeakPolarHBondContact O-CB 3.48Å; S404-N408 PolarHBondContact O-N 2.83Å; S404-R474 PolarHBondContact OG-NH2 3.05Å
405	K	88.3	Confident	86.8	Confident	174 Å²	174	52.7 Å²	52.7	76%	0.757	28%	0.281	S	S	*	.	H	α-helix	trans	-69.8	-42	177.2	-55.8	177	178.8	175.9	0	110.5	D403 N408 Q409	D403-K405 VanDerWaalsContact C-N 3.28Å; D403-K405 PolarHBondContact O-N 3.42Å; D403-K405 WeakPolarHBondContact OD2-CA 3.4Å; D403-K405 WeakPolarHBondContact OD2-CB 3.4Å; D403-K405 PolarHBondContact OD2-N 3.19Å; K405-N408 PolarHBondContact O-N 3.38Å; K405-Q409 WeakPolarHBondContact O-CG 3.04Å; K405-Q409 PolarHBondContact O-N 3.11Å
406	A	89	Confident	86.9	Confident	24 Å²	24	53.6 Å²	53.6	20%	0.198	29%	0.294	C	S	.	.	H	α-helix	trans	-61.2	-44.2	174.8	0	0	0	0	0	111.7	I402 D403 N408 Q409	I402-A406 HydrophobicContact CG2-CB 4.19Å; D403-A406 HydrophobicContact CB-CB 4.14Å; D403-A406 PolarHBondContact O-N 2.71Å; D403-A406 PolarHBondContact OD2-N 2.89Å; A406-N408 VanDerWaalsContact C-N 3.27Å; A406-N408 PolarHBondContact O-N 2.85Å; A406-Q409 WeakPolarHBondContact O-CB 3.28Å; A406-Q409 WeakPolarHBondContact O-CG 3.35Å; A406-Q409 PolarHBondContact O-N 3.38Å
407	C	90.1	Very high	87.3	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-66.9	-29.7	178.4	-160.2	0	0	0	0	112.9	I402 D403 S404 Q409 V412 Y413 I417 C423	I402-C407 HydrophobicContact CG2-CB 4.22Å; D403-C407 PolarHBondContact O-N 3.22Å; S404-C407 PolarHBondContact O-N 3.48Å; C407-Q409 VanDerWaalsContact C-N 3.32Å; C407-V412 WeakPolarHBondContact O-CB 3.38Å; C407-V412 VanDerWaalsContact O-CG1 3.31Å; C407-V412 WeakPolarHBondContact O-CG1 3.48Å; C407-Y413 PolarHBondContact O-N 2.99Å; C407-Y413 VanDerWaalsContact SG-CD2 3.59Å; C407-I417 HydrophobicContact CB-CG1 4.5Å; C407-C423 HydrophobicContact CB-CB 3.66Å; C407-C423 WeakPolarHBondContact CB-SG 3.21Å; C407-C423 WeakPolarHBondContact SG-CB 3.29Å; C407-C423 CovalentContact SG-SG 2.01Å; C407-C423 PolarHBondContact SG-SG 2.72Å
408	N	90.6	Very high	87.8	Confident	55 Å²	55	55 Å²	55	29%	0.294	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	4.1	179.8	-140	19	0	0	0	114.4	S404 K405 A406 G415 A416 I417	S404-N408 VanDerWaalsContact O-CB 3.29Å; S404-N408 WeakPolarHBondContact O-CB 3.48Å; S404-N408 PolarHBondContact O-N 2.83Å; K405-N408 PolarHBondContact O-N 3.38Å; A406-N408 VanDerWaalsContact C-N 3.27Å; A406-N408 PolarHBondContact O-N 2.85Å; N408-G415 VanDerWaalsContact CG-CA 3.45Å; N408-G415 PolarHBondContact O-N 3.48Å; N408-G415 WeakPolarHBondContact OD1-CA 3.41Å; N408-G415 PolarHBondContact OD1-N 3.11Å; N408-G415 VanDerWaalsContact OD1-N 3.09Å; N408-G415 PolarHBondContact OD1-O 2.05Å; N408-A416 PolarHBondContact OD1-N 3.17Å; N408-I417 HydrophobicContact CB-CB 4.39Å; N408-I417 PolarHBondContact ND2-O 2.9Å; N408-I417 PolarHBondContact OD1-N 3.2Å
409	Q	89.4	Confident	88.1	Confident	100 Å²	100	58.3 Å²	58.3	47%	0.467	32%	0.315	S	S	.	.	S	Bend	trans	-60.5	155	175.8	-72	178.3	-1	0	0	112	K405 A406 C407 S411 V412 Y413 R414	K405-Q409 WeakPolarHBondContact O-CG 3.04Å; K405-Q409 PolarHBondContact O-N 3.11Å; A406-Q409 WeakPolarHBondContact O-CB 3.28Å; A406-Q409 WeakPolarHBondContact O-CG 3.35Å; A406-Q409 PolarHBondContact O-N 3.38Å; C407-Q409 VanDerWaalsContact C-N 3.32Å; Q409-S411 PolarHBondContact O-N 3.17Å; Q409-V412 HydrophobicContact CB-CG2 4.41Å; Q409-V412 CarbonylContact O-C 3.57Å; Q409-V412 PolarHBondContact O-N 3.18Å; Q409-Y413 PolarHBondContact O-N 3.33Å; Q409-R414 PolarHBondContact O-N 2.77Å
410	S	85.4	Confident	88.4	Confident	94 Å²	94	60 Å²	60	66%	0.657	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.6	178.4	56	0	0	0	0	113.9	V412 R414	S410-V412 VanDerWaalsContact C-N 3.33Å; S410-R414 WeakPolarHBondContact O-CG 3.41Å; S410-R414 PolarHBondContact O-NE 3.16Å
411	S	83.4	Confident	88.6	Confident	64 Å²	64	56 Å²	56	45%	0.448	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-17.1	174.6	50.2	0	0	0	0	113.8	Q409	Q409-S411 PolarHBondContact O-N 3.17Å
412	V	87.9	Confident	88.7	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.006	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111	-99.8	-178.1	-170.9	0	0	0	0	108	C407 Q409 S410 L427 N467 R468 P469	C407-V412 WeakPolarHBondContact O-CB 3.38Å; C407-V412 VanDerWaalsContact O-CG1 3.31Å; C407-V412 WeakPolarHBondContact O-CG1 3.48Å; Q409-V412 HydrophobicContact CB-CG2 4.41Å; Q409-V412 CarbonylContact O-C 3.57Å; Q409-V412 PolarHBondContact O-N 3.18Å; S410-V412 VanDerWaalsContact C-N 3.33Å; V412-L427 HydrophobicContact CG2-CD2 4.19Å; V412-N467 VanDerWaalsContact CG1-O 3.26Å; V412-N467 WeakPolarHBondContact CG1-O 3.16Å; V412-N467 HydrophobicContact CG2-CB 4.48Å; V412-R468 PolarHBondContact O-NH1 3.01Å; V412-P469 HydrophobicContact CG1-CG 4.23Å
413	Y	87.1	Confident	88.8	Confident	11 Å²	11	54.9 Å²	54.9	4%	0.043	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	7.9	-175.1	-72.3	-64.4	0	0	0	116.2	C407 Q409 G415 A416 I417 W459 V461 P469 V471	C407-Y413 PolarHBondContact O-N 2.99Å; C407-Y413 VanDerWaalsContact SG-CD2 3.59Å; Q409-Y413 PolarHBondContact O-N 3.33Å; Y413-G415 VanDerWaalsContact C-N 3.33Å; Y413-G415 PolarHBondContact O-N 3.37Å; Y413-A416 VanDerWaalsContact O-CB 3.25Å; Y413-A416 WeakPolarHBondContact O-CB 3.4Å; Y413-A416 PolarHBondContact O-N 3.3Å; Y413-A416 VanDerWaalsContact O-N 3.07Å; Y413-I417 HydrophobicContact CD2-CD1 3.67Å; Y413-I417 HydrophobicContact CD2-CG1 4Å; Y413-I417 HydrophobicContact CE2-CD1 4.35Å; Y413-I417 HydrophobicContact CG-CD1 3.91Å; Y413-I417 HydrophobicContact CG-CG1 4.22Å; Y413-W459 AromaticContact CD1-CH2 3.86Å; Y413-W459 HydrophobicContact CD1-CH2 3.86Å; Y413-W459 AromaticContact CD1-CZ3 3.91Å; Y413-W459 HydrophobicContact CD1-CZ3 3.91Å; Y413-W459 AromaticContact CE1-CH2 3.99Å; Y413-W459 HydrophobicContact CE1-CH2 3.99Å; Y413-W459 AromaticContact CE1-CZ3 3.61Å; Y413-W459 HydrophobicContact CE1-CZ3 3.61Å; Y413-W459 HydrophobicContact CG-CH2 4.35Å; Y413-V461 HydrophobicContact CE1-CB 4.25Å; Y413-V461 HydrophobicContact CE1-CG2 3.82Å; Y413-P469 HydrophobicContact CE2-CG 4.07Å; Y413-P469 WeakPolarHBondContact CE2-O 3.44Å; Y413-P469 PolarHBondContact OH-O 3.4Å; Y413-V471 HydrophobicContact CD2-CG2 4.27Å; Y413-V471 HydrophobicContact CE2-CG2 3.61Å
414	R	86.7	Confident	88.7	Confident	199 Å²	199	51.8 Å²	51.8	75%	0.751	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	41.3	169.9	-62.5	179.4	177.2	-177.7	0.9	115.1	Q409 S410	Q409-R414 PolarHBondContact O-N 2.77Å; S410-R414 WeakPolarHBondContact O-CG 3.41Å; S410-R414 PolarHBondContact O-NE 3.16Å
415	G	85.3	Confident	88.5	Confident	48 Å²	48	50 Å²	50	50%	0.495	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.4	-5.3	178.8	0	0	0	0	0	115.3	N408 Y413 I417	N408-G415 VanDerWaalsContact CG-CA 3.45Å; N408-G415 PolarHBondContact O-N 3.48Å; N408-G415 WeakPolarHBondContact OD1-CA 3.41Å; N408-G415 PolarHBondContact OD1-N 3.11Å; N408-G415 VanDerWaalsContact OD1-N 3.09Å; N408-G415 PolarHBondContact OD1-O 2.05Å; Y413-G415 VanDerWaalsContact C-N 3.33Å; Y413-G415 PolarHBondContact O-N 3.37Å; G415-I417 VanDerWaalsContact C-N 3.27Å; G415-I417 PolarHBondContact O-N 3.04Å
416	A	85.1	Confident	88.1	Confident	53 Å²	53	44.6 Å²	44.6	44%	0.438	25%	0.247	S	C	.	.			trans	-72.7	-12.7	-175.5	0	0	0	0	0	114.9	N408 Y413	N408-A416 PolarHBondContact OD1-N 3.17Å; Y413-A416 VanDerWaalsContact O-CB 3.25Å; Y413-A416 WeakPolarHBondContact O-CB 3.4Å; Y413-A416 PolarHBondContact O-N 3.3Å; Y413-A416 VanDerWaalsContact O-N 3.07Å
417	I	90.8	Very high	87.7	Confident	13 Å²	13	46.1 Å²	46.1	7%	0.067	25%	0.252	C	S	.	.			trans	-85.5	120.3	-176.7	-54.3	-58	0	0	0	110.5	C407 N408 Y413 G415 M421 W459 V471	C407-I417 HydrophobicContact CB-CG1 4.5Å; N408-I417 HydrophobicContact CB-CB 4.39Å; N408-I417 PolarHBondContact ND2-O 2.9Å; N408-I417 PolarHBondContact OD1-N 3.2Å; Y413-I417 HydrophobicContact CD2-CD1 3.67Å; Y413-I417 HydrophobicContact CD2-CG1 4Å; Y413-I417 HydrophobicContact CE2-CD1 4.35Å; Y413-I417 HydrophobicContact CG-CD1 3.91Å; Y413-I417 HydrophobicContact CG-CG1 4.22Å; G415-I417 VanDerWaalsContact C-N 3.27Å; G415-I417 PolarHBondContact O-N 3.04Å; I417-M421 HydrophobicContact CG2-CB 3.98Å; I417-W459 HydrophobicContact CD1-CH2 4.1Å; I417-W459 HydrophobicContact CD1-CZ2 3.94Å; I417-V471 HydrophobicContact CD1-CG1 4.03Å; I417-V471 HydrophobicContact CD1-CG2 3.78Å
418	T	89.3	Confident	87	Confident	37 Å²	37	52.6 Å²	52.6	23%	0.227	28%	0.282	C	S	.	.			trans	-87.2	167.4	177.4	80	0	0	0	0	112.1	N339 K420 M421	N339-T418 HydrophobicContact CB-CG2 4.48Å; N339-T418 PolarHBondContact OD1-OG1 3.46Å; T418-K420 PolarHBondContact O-N 3.3Å; T418-K420 PolarHBondContact OG1-N 3.08Å; T418-M421 HydrophobicContact CG2-CE 3.87Å; T418-M421 HydrophobicContact CG2-SD 4.16Å; T418-M421 PolarHBondContact O-N 2.91Å; T418-M421 VanDerWaalsContact O-N 3.08Å; T418-M421 WeakPolarHBondContact OG1-CG 3.45Å
419	H	87.6	Confident	85.9	Confident	126 Å²	126	50.1 Å²	50.1	58%	0.583	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-16	175.7	65.4	-88.3	0	0	0	113.9	R474	H419-R474 PolarHBondContact O-NE 2.77Å
420	K	89.9	Confident	84.9	Confident	37 Å²	37	54 Å²	54	16%	0.161	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-0.2	174.9	-56.2	-174.2	176.9	176.9	0	112.4	E332 N340 T418 R474 L478	E332-K420 IonicContact OE2-NZ 2.62Å; E332-K420 PolarHBondContact OE2-NZ 2.75Å; N340-K420 PolarHBondContact ND2-NZ 3.21Å; N340-K420 WeakPolarHBondContact OD1-CD 3.48Å; N340-K420 WeakPolarHBondContact OD1-CE 3.45Å; N340-K420 PolarHBondContact OD1-NZ 2.87Å; T418-K420 PolarHBondContact O-N 3.3Å; T418-K420 PolarHBondContact OG1-N 3.08Å; K420-R474 VanDerWaalsContact O-CB 3.22Å; K420-R474 WeakPolarHBondContact O-CB 3.19Å; K420-R474 PolarHBondContact O-N 3.07Å; K420-L478 HydrophobicContact CD-CD2 4.13Å
421	M	92.6	Very high	84	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.015	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	160.5	174.8	-64	169.6	-171.1	0	0	110.7	T337 S338 N339 I417 T418 W459 V471 Y472 R474	T337-M421 WeakPolarHBondContact O-CE 3.2Å; S338-M421 WeakPolarHBondContact O-CE 3.18Å; N339-M421 HydrophobicContact CB-CE 4Å; I417-M421 HydrophobicContact CG2-CB 3.98Å; T418-M421 HydrophobicContact CG2-CE 3.87Å; T418-M421 HydrophobicContact CG2-SD 4.16Å; T418-M421 PolarHBondContact O-N 2.91Å; T418-M421 VanDerWaalsContact O-N 3.08Å; T418-M421 WeakPolarHBondContact OG1-CG 3.45Å; M421-W459 HydrophobicContact SD-CZ2 4.26Å; M421-V471 HydrophobicContact CB-CG1 3.98Å; M421-V471 HydrophobicContact CG-CG1 4.21Å; M421-V471 HydrophobicContact SD-CG1 4.13Å; M421-Y472 CarbonylContact C-O 3.46Å; M421-Y472 WeakPolarHBondContact CA-O 3.03Å; M421-R474 VanDerWaalsContact O-CZ 3.3Å; M421-R474 PolarHBondContact O-NE 3.31Å; M421-R474 PolarHBondContact O-NH2 2.94Å
422	M	93.8	Very high	82.9	Confident	8 Å²	8	49.9 Å²	49.9	4%	0.039	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	155.3	170.2	64.7	-174.8	-68.4	0	0	110.2	I401 L442 A454 Y472 R474	I401-M422 HydrophobicContact CD1-CE 3.47Å; I401-M422 VanDerWaalsContact CD1-CE 3.47Å; I401-M422 HydrophobicContact CG1-CE 4.34Å; I401-M422 HydrophobicContact CG2-CE 4.32Å; M422-L442 HydrophobicContact CE-CD2 4.16Å; M422-A454 HydrophobicContact CE-CB 4.35Å; M422-Y472 PolarHBondContact N-O 3.13Å; M422-Y472 PolarHBondContact O-N 2.81Å; M422-R474 HydrophobicContact CB-CB 4.39Å; M422-R474 HydrophobicContact CB-CG 4.47Å; M422-R474 HydrophobicContact CG-CB 4.32Å; M422-R474 HydrophobicContact SD-CB 4.35Å; M422-R474 HydrophobicContact SD-CG 4.1Å
423	C	92.5	Very high	82	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	141.7	-179.7	-56.9	0	0	0	0	110.3	I402 C407 P469 G470	I402-C423 HydrophobicContact CB-CB 4.05Å; I402-C423 PolarHBondContact N-O 2.67Å; C407-C423 HydrophobicContact CB-CB 3.66Å; C407-C423 WeakPolarHBondContact CB-SG 3.21Å; C407-C423 WeakPolarHBondContact SG-CB 3.29Å; C407-C423 CovalentContact SG-SG 2.01Å; C407-C423 PolarHBondContact SG-SG 2.72Å; C423-P469 HydrophobicContact CB-CG 4.39Å; C423-G470 WeakPolarHBondContact CA-O 3.13Å
424	A	89.5	Confident	81.3	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	144.8	171.2	0	0	0	0	0	110.3	V399 K400 I401 L442 G470 Y472	V399-A424 HydrophobicContact CB-CB 4.31Å; V399-A424 HydrophobicContact CG2-CB 3.93Å; K400-A424 CarbonylContact O-C 3.51Å; K400-A424 WeakPolarHBondContact O-CA 3.36Å; I401-A424 HydrophobicContact CD1-CB 3.94Å; A424-L442 HydrophobicContact CB-CD1 4.3Å; A424-L442 HydrophobicContact CB-CD2 3.89Å; A424-G470 PolarHBondContact N-O 3.04Å; A424-G470 PolarHBondContact O-N 3.35Å; A424-Y472 HydrophobicContact CB-CD2 4.09Å; A424-Y472 HydrophobicContact CB-CE2 3.61Å
425	G	84.4	Confident	80.5	Confident	3 Å²	3	48.2 Å²	48.2	3%	0.031	26%	0.256	C	S	.	.	S	Bend	trans	142.1	-153.3	-178.4	0	0	0	0	0	111.9	K400	K400-G425 PolarHBondContact O-N 3.33Å
426	F	80.4	Confident	79.6	Confident	61 Å²	61	46.6 Å²	46.6	27%	0.268	24%	0.239	S	C	.	.			trans	-126.2	132.1	176.6	-59.5	-87.8	0	0	0	109.4	L398 K400 Q428 G429 V431	L398-F426 WeakPolarHBondContact O-CE2 3.33Å; K400-F426 HydrophobicContact CD-CE1 4.13Å; K400-F426 HydrophobicContact CG-CE1 4.22Å; K400-F426 HydrophobicContact CG-CZ 4.36Å; F426-Q428 PolarHBondContact O-N 2.98Å; F426-G429 WeakPolarHBondContact O-CA 3.29Å; F426-G429 PolarHBondContact O-N 3.45Å; F426-V431 HydrophobicContact CD2-CB 4.07Å; F426-V431 HydrophobicContact CE2-CB 4.14Å
427	L	79.8	Confident	79.4	Confident	56 Å²	56	44.9 Å²	44.9	29%	0.293	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-23.8	176.8	-66.2	176.4	0	0	0	112.1	I402 V412 G429 V466 N467 P469	I402-L427 HydrophobicContact CD1-CD2 4.18Å; I402-L427 HydrophobicContact CD1-CG 4.42Å; V412-L427 HydrophobicContact CG2-CD2 4.19Å; L427-G429 PolarHBondContact O-N 2.95Å; L427-V466 CarbonylContact O-C 3.59Å; L427-V466 WeakPolarHBondContact O-CA 3.47Å; L427-N467 PolarHBondContact O-N 2.78Å; L427-P469 HydrophobicContact CD2-CG 4.29Å
428	Q	76.1	Confident	79.2	Confident	135 Å²	135	45.2 Å²	45.2	63%	0.631	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-1.7	172.1	-58.3	80.6	7.3	0	0	113.1	F426	F426-Q428 PolarHBondContact O-N 2.98Å
429	G	66.9	Low	79.3	Confident	4 Å²	4	43.4 Å²	43.4	4%	0.041	22%	0.215	C	C	.	.			trans	75	-149	-174.2	0	0	0	0	0	112.9	F426 L427 V431 A464	F426-G429 WeakPolarHBondContact O-CA 3.29Å; F426-G429 PolarHBondContact O-N 3.45Å; L427-G429 PolarHBondContact O-N 2.95Å; G429-V431 PolarHBondContact O-N 3Å; G429-A464 CarbonylContact C-O 3.44Å; G429-A464 VanDerWaalsContact CA-O 3.25Å; G429-A464 WeakPolarHBondContact CA-O 3.05Å
430	K	68.1	Low	79.4	Confident	182 Å²	182	37.4 Å²	37.4	79%	0.791	19%	0.187	S	C	*	.	S	Bend	trans	81	-43.6	178.1	-50.4	177.6	178.3	-177.5	0	117	A464	K430-A464 PolarHBondContact N-O 3.41Å
431	V	67.5	Low	79.6	Confident	45 Å²	45	35.7 Å²	35.7	27%	0.273	18%	0.179	S	C	.	.			trans	-128.9	118.2	-176.5	-177.4	0	0	0	0	109.4	A397 V399 F426 G429	A397-V431 HydrophobicContact CB-CG1 3.59Å; V399-V431 HydrophobicContact CG1-CG1 4.29Å; F426-V431 HydrophobicContact CD2-CB 4.07Å; F426-V431 HydrophobicContact CE2-CB 4.14Å; G429-V431 PolarHBondContact O-N 3Å
432	D	60.5	Low	79.7	Confident	26 Å²	26	35.5 Å²	35.5	14%	0.139	18%	0.179	C	C	.	.			trans	-159.3	162.4	-174.4	-160.7	8.6	0	0	0	110.7	A464 G470	D432-A464 HydrophobicContact CB-CB 3.79Å; D432-A464 VanDerWaalsContact CB-N 3.27Å; D432-A464 PolarHBondContact OD2-N 2.65Å; D432-G470 VanDerWaalsContact OD1-CA 3.23Å; D432-G470 WeakPolarHBondContact OD1-CA 3.47Å; D432-G470 PolarHBondContact OD1-N 3.24Å
433	S	68.1	Low	79.6	Confident	12 Å²	12	35.1 Å²	35.1	8%	0.084	18%	0.177	C	C	.	.			trans	-77.4	153.3	165.5	42.2	0	0	0	0	110.8	Y472	S433-Y472 PolarHBondContact OG-OH 2.65Å
434	C	73.6	Confident	79.5	Confident	14 Å²	14	35.1 Å²	35.1	10%	0.095	18%	0.177	C	C	.	.			trans	-136.2	-174.4	-179	-157.1	0	0	0	0	112.9	A382 G436 D437 C463	A382-C434 WeakPolarHBondContact O-CB 3.12Å; C434-G436 PolarHBondContact O-N 3.04Å; C434-D437 PolarHBondContact N-OD2 3.04Å; C434-D437 WeakPolarHBondContact O-CB 3.45Å; C434-D437 PolarHBondContact O-N 3.22Å; C434-C463 WeakPolarHBondContact CA-SG 3.13Å; C434-C463 HydrophobicContact CB-CB 3.74Å; C434-C463 WeakPolarHBondContact CB-SG 3.41Å; C434-C463 WeakPolarHBondContact SG-CB 3.45Å; C434-C463 CovalentContact SG-SG 2.04Å; C434-C463 PolarHBondContact SG-SG 2.84Å
435	Q	68.1	Low	79.1	Confident	150 Å²	150	39.5 Å²	39.5	70%	0.701	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50	123.1	178.8	-73.6	-94	-0.2	0	0	111.3	G381 A382	G381-Q435 CarbonylContact C-O 3.55Å; G381-Q435 WeakPolarHBondContact CA-O 3.19Å; A382-Q435 HydrophobicContact CB-CB 4.48Å; A382-Q435 PolarHBondContact N-O 3.16Å
436	G	66.9	Low	78	Confident	13 Å²	13	41.1 Å²	41.1	13%	0.134	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.8	-13	-176.5	0	0	0	0	0	114.9	H275 C434 S438	H275-G436 PolarHBondContact NE2-O 3.43Å; H275-G436 VanDerWaalsContact NE2-O 3.15Å; C434-G436 PolarHBondContact O-N 3.04Å; G436-S438 VanDerWaalsContact C-N 3.31Å
437	D	80.6	Confident	76.8	Confident	17 Å²	17	38.7 Å²	38.7	9%	0.091	21%	0.206	C	C	.	.			trans	-83.2	-11	170.4	-63.2	-42.7	0	0	0	112.8	G379 W380 G381 C434 G439 G440 V457	G379-D437 WeakPolarHBondContact CA-OD1 3.43Å; W380-D437 PolarHBondContact N-OD1 2.91Å; G381-D437 VanDerWaalsContact CA-OD1 3.28Å; G381-D437 WeakPolarHBondContact CA-OD1 3.09Å; G381-D437 PolarHBondContact N-OD1 2.99Å; C434-D437 PolarHBondContact N-OD2 3.04Å; C434-D437 WeakPolarHBondContact O-CB 3.45Å; C434-D437 PolarHBondContact O-N 3.22Å; D437-G439 PolarHBondContact O-N 2.88Å; D437-G440 WeakPolarHBondContact O-CA 3.34Å; D437-G440 PolarHBondContact O-N 3.38Å; D437-V457 HydrophobicContact CB-CG1 4.24Å; D437-V457 WeakPolarHBondContact O-CB 3.37Å
438	S	88.1	Confident	75.5	Confident	20 Å²	20	39.6 Å²	39.6	14%	0.14	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.5	133.8	178.9	-72.8	0	0	0	0	112.7	C277 G278 H292 G436 G440	C277-S438 CarbonylContact C-O 3.55Å; C277-S438 WeakPolarHBondContact CA-O 3.43Å; C277-S438 VanDerWaalsContact CB-O 3.23Å; C277-S438 WeakPolarHBondContact CB-O 3.29Å; G278-S438 PolarHBondContact N-O 2.91Å; H292-S438 VanDerWaalsContact CE1-CB 3.45Å; H292-S438 WeakPolarHBondContact CE1-CB 3.06Å; H292-S438 PolarHBondContact CE1-OG 3.05Å; H292-S438 VanDerWaalsContact CE1-OG 3.3Å; H292-S438 WeakPolarHBondContact NE2-CB 3.43Å; H292-S438 PolarHBondContact NE2-OG 3.4Å; G436-S438 VanDerWaalsContact C-N 3.31Å; S438-G440 PolarHBondContact O-N 3.41Å
439	G	89.5	Confident	74.8	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	-9.2	-174.3	0	0	0	0	0	114.8	G278 A279 S289 D437 V457	G278-G439 VanDerWaalsContact C-C 3.45Å; G278-G439 CarbonylContact C-O 3.51Å; G278-G439 CarbonylContact O-C 3.58Å; G278-G439 VanDerWaalsContact O-CA 3.32Å; G278-G439 WeakPolarHBondContact O-CA 2.89Å; A279-G439 WeakPolarHBondContact CA-O 3.35Å; S289-G439 WeakPolarHBondContact OG-CA 3.16Å; D437-G439 PolarHBondContact O-N 2.88Å; G439-V457 PolarHBondContact N-O 3.1Å
440	G	90.3	Very high	75.3	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.203	C	C	.	.			trans	-67.1	158.5	175.1	0	0	0	0	0	113.6	D437 S438 V457	D437-G440 WeakPolarHBondContact O-CA 3.34Å; D437-G440 PolarHBondContact O-N 3.38Å; S438-G440 PolarHBondContact O-N 3.41Å; G440-V457 WeakPolarHBondContact O-CG2 3.41Å; G440-V457 PolarHBondContact O-N 2.89Å
441	P	94.6	Very high	76.1	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	134.9	179.3	22.4	-26.2	0	0	0	113.5	Q266 S280 V443 L453	Q266-P441 VanDerWaalsContact OE1-CG 3.28Å; S280-P441 VanDerWaalsContact OG-CB 3.23Å; S280-P441 WeakPolarHBondContact OG-CB 3.42Å; P441-V443 HydrophobicContact CB-CG1 3.95Å; P441-L453 HydrophobicContact CB-CD1 3.64Å
442	L	93.8	Very high	77.2	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	106.9	151.5	177.4	69.5	0	0	0	108.2	C375 V377 V399 I401 M422 A424 A454 G455 Y472	C375-L442 HydrophobicContact CB-CD1 3.8Å; C375-L442 HydrophobicContact CB-CG 4.34Å; V377-L442 HydrophobicContact CB-CD1 4.28Å; V399-L442 HydrophobicContact CG2-CD1 3.47Å; V399-L442 VanDerWaalsContact CG2-CD1 3.47Å; I401-L442 HydrophobicContact CD1-CD2 4.06Å; M422-L442 HydrophobicContact CE-CD2 4.16Å; A424-L442 HydrophobicContact CB-CD1 4.3Å; A424-L442 HydrophobicContact CB-CD2 3.89Å; L442-A454 PolarHBondContact O-N 2.75Å; L442-G455 WeakPolarHBondContact CB-O 3.4Å; L442-G455 PolarHBondContact N-O 3.27Å; L442-G455 PolarHBondContact O-N 2.9Å; L442-Y472 HydrophobicContact CB-CD1 3.67Å; L442-Y472 HydrophobicContact CB-CE1 3.83Å; L442-Y472 HydrophobicContact CB-CG 4.39Å; L442-Y472 HydrophobicContact CD1-CE1 4.24Å; L442-Y472 HydrophobicContact CD2-CD1 3.92Å; L442-Y472 HydrophobicContact CD2-CD2 4Å; L442-Y472 HydrophobicContact CD2-CE1 4.19Å; L442-Y472 HydrophobicContact CD2-CE2 4.28Å; L442-Y472 HydrophobicContact CD2-CG 3.84Å; L442-Y472 HydrophobicContact CG-CD1 4.3Å; L442-Y472 HydrophobicContact CG-CE1 4.3Å
443	V	92.9	Very high	78.8	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	131.9	-177.8	-72	0	0	0	0	112.1	W265 V360 C375 I376 P441 F451 F452 L453	W265-V443 HydrophobicContact CZ2-CG1 4.5Å; W265-V443 HydrophobicContact CZ2-CG2 4.04Å; V360-V443 HydrophobicContact CG2-CG1 3.62Å; C375-V443 CarbonylContact C-O 3.11Å; C375-V443 WeakPolarHBondContact CA-O 3.36Å; C375-V443 WeakPolarHBondContact CB-O 3.18Å; I376-V443 HydrophobicContact CB-CG2 4.05Å; I376-V443 PolarHBondContact N-O 3.03Å; I376-V443 WeakPolarHBondContact O-CG2 3.13Å; I376-V443 PolarHBondContact O-N 3.2Å; P441-V443 HydrophobicContact CB-CG1 3.95Å; V443-F451 HydrophobicContact CB-CB 4.41Å; V443-F451 HydrophobicContact CB-CD1 4.25Å; V443-F451 HydrophobicContact CG2-CD1 4.17Å; V443-F452 VanDerWaalsContact CA-O 3.29Å; V443-F452 WeakPolarHBondContact CA-O 3.32Å; V443-L453 HydrophobicContact CG1-CD1 4.19Å
444	C	89	Confident	79.9	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	141.6	176.4	-55.1	0	0	0	0	109.1	F369 C375 G446 F452 A454	F369-C444 HydrophobicContact CD1-CB 3.75Å; F369-C444 HydrophobicContact CE1-CB 3.72Å; C375-C444 HydrophobicContact CB-CB 4.05Å; C375-C444 WeakPolarHBondContact CB-SG 3.38Å; C375-C444 WeakPolarHBondContact SG-CB 3.4Å; C375-C444 CovalentContact SG-SG 2.03Å; C375-C444 PolarHBondContact SG-SG 2.82Å; C444-G446 PolarHBondContact O-N 2.84Å; C444-F452 PolarHBondContact N-O 2.87Å; C444-F452 PolarHBondContact O-N 2.96Å; C444-A454 HydrophobicContact CB-CB 4.25Å; C444-A454 WeakPolarHBondContact SG-CB 3.27Å
445	E	81.9	Confident	80.8	Confident	92 Å²	92	22.2 Å²	22.2	43%	0.43	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	120.2	171	-168.5	169	-173.9	0	0	108.2	Q373 G447 G449 F451	Q373-E445 PolarHBondContact NE2-O 3.2Å; E445-G447 WeakPolarHBondContact CG-O 3.22Å; E445-G449 PolarHBondContact OE1-N 3.04Å; E445-F451 HydrophobicContact CB-CD1 4.46Å; E445-F451 HydrophobicContact CB-CE1 3.94Å; E445-F451 HydrophobicContact CB-CZ 4.09Å; E445-F451 HydrophobicContact CG-CZ 4.18Å
446	G	60.7	Low	82.1	Confident	36 Å²	36	15 Å²	15	37%	0.371	11%	0.105	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-44.1	-178	0	0	0	0	0	112.8	C444 R450	C444-G446 PolarHBondContact O-N 2.84Å; G446-R450 PolarHBondContact N-O 2.93Å
447	G	55.8	Low	83.4	Confident	11 Å²	11	14.7 Å²	14.7	11%	0.113	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	171	172.5	0	0	0	0	0	110.1	E445 G449 R450	E445-G447 WeakPolarHBondContact CG-O 3.22Å; G447-G449 PolarHBondContact O-N 3.5Å; G447-R450 PolarHBondContact O-N 2.78Å; G447-R450 VanDerWaalsContact O-N 3.07Å
448	P	53.2	Low	83.8	Confident	74 Å²	74	14.1 Å²	14.1	48%	0.481	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	112.3	-170.4	23.1	-32.8	0	0	0	111.7	R450	P448-R450 VanDerWaalsContact C-N 3.31Å; P448-R450 PolarHBondContact O-N 3.1Å
449	G	60.5	Low	83.7	Confident	36 Å²	36	16.2 Å²	16.2	37%	0.371	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	3.1	176.5	0	0	0	0	0	116.4	E445 G447	E445-G449 PolarHBondContact OE1-N 3.04Å; G447-G449 PolarHBondContact O-N 3.5Å
450	R	77.5	Confident	83.2	Confident	11 Å²	11	17.9 Å²	17.9	4%	0.042	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	125.1	178.3	-169.8	-179.6	-70.9	-94.7	13.5	112	F211 C242 C361 G446 G447 P448 F452	F211-R450 HydrophobicContact CE2-CB 4.21Å; F211-R450 VanDerWaalsContact CZ-NE 3.27Å; F211-R450 VanDerWaalsContact CZ-NH2 3.31Å; C242-R450 PolarHBondContact O-NH1 3.12Å; C361-R450 PolarHBondContact SG-NH1 3.34Å; G446-R450 PolarHBondContact N-O 2.93Å; G447-R450 PolarHBondContact O-N 2.78Å; G447-R450 VanDerWaalsContact O-N 3.07Å; P448-R450 VanDerWaalsContact C-N 3.31Å; P448-R450 PolarHBondContact O-N 3.1Å; R450-F452 HydrophobicContact CB-CE2 4.49Å; R450-F452 HydrophobicContact CG-CE2 4.05Å; R450-F452 HydrophobicContact CG-CZ 4.3Å
451	F	85.9	Confident	82.4	Confident	3 Å²	3	20.9 Å²	20.9	1%	0.013	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	128.1	-178.3	-71.4	-92.2	0	0	0	112	G243 R245 W265 C361 I376 V443 E445	G243-F451 WeakPolarHBondContact CA-O 3.35Å; G243-F451 WeakPolarHBondContact O-CD2 3.5Å; G243-F451 PolarHBondContact O-N 2.97Å; R245-F451 VanDerWaalsContact NE-CE2 3.28Å; W265-F451 HydrophobicContact CH2-CB 3.51Å; W265-F451 HydrophobicContact CH2-CD1 4.35Å; W265-F451 AromaticContact CH2-CD2 3.71Å; W265-F451 HydrophobicContact CH2-CD2 3.71Å; W265-F451 AromaticContact CH2-CG 3.55Å; W265-F451 HydrophobicContact CH2-CG 3.55Å; W265-F451 HydrophobicContact CZ2-CB 3.88Å; W265-F451 HydrophobicContact CZ2-CD1 4.35Å; W265-F451 HydrophobicContact CZ2-CD2 4.48Å; W265-F451 AromaticContact CZ2-CG 3.94Å; W265-F451 HydrophobicContact CZ2-CG 3.94Å; W265-F451 HydrophobicContact CZ3-CB 4.17Å; C361-F451 WeakPolarHBondContact CB-O 3.36Å; C361-F451 PolarHBondContact N-O 2.81Å; I376-F451 HydrophobicContact CD1-CE1 3.83Å; V443-F451 HydrophobicContact CB-CB 4.41Å; V443-F451 HydrophobicContact CB-CD1 4.25Å; V443-F451 HydrophobicContact CG2-CD1 4.17Å; E445-F451 HydrophobicContact CB-CD1 4.46Å; E445-F451 HydrophobicContact CB-CE1 3.94Å; E445-F451 HydrophobicContact CB-CZ 4.09Å; E445-F451 HydrophobicContact CG-CZ 4.18Å
452	F	89.8	Confident	81.3	Confident	3 Å²	3	22 Å²	22	1%	0.013	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	141.1	174.4	-67.3	-91.3	0	0	0	110.5	C209 C361 P363 F369 V443 C444 R450 A454	C209-F452 HydrophobicContact CB-CE1 4.27Å; C209-F452 HydrophobicContact CB-CZ 3.85Å; C361-F452 HydrophobicContact CB-CD1 3.56Å; C361-F452 HydrophobicContact CB-CE1 3.75Å; C361-F452 HydrophobicContact CB-CG 4.19Å; C361-F452 WeakPolarHBondContact O-CA 3.46Å; P363-F452 HydrophobicContact CB-CB 4.42Å; P363-F452 HydrophobicContact CB-CD1 4.16Å; F369-F452 HydrophobicContact CE1-CB 4.32Å; F369-F452 HydrophobicContact CZ-CB 4.15Å; V443-F452 VanDerWaalsContact CA-O 3.29Å; V443-F452 WeakPolarHBondContact CA-O 3.32Å; C444-F452 PolarHBondContact N-O 2.87Å; C444-F452 PolarHBondContact O-N 2.96Å; R450-F452 HydrophobicContact CB-CE2 4.49Å; R450-F452 HydrophobicContact CG-CE2 4.05Å; R450-F452 HydrophobicContact CG-CZ 4.3Å; F452-A454 PolarHBondContact O-N 2.83Å; F452-A454 VanDerWaalsContact O-N 3.15Å
453	L	93.2	Very high	80.2	Confident	0 Å²	0	23 Å²	23	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	99.7	173.5	-173.2	65.8	0	0	0	109	I282 V360 C361 P363 P441 V443 G455 V456 V475	I282-L453 HydrophobicContact CD1-CD2 4.07Å; V360-L453 HydrophobicContact CG1-CB 3.95Å; V360-L453 HydrophobicContact CG1-CD1 4.47Å; V360-L453 HydrophobicContact CG1-CD2 4.29Å; V360-L453 HydrophobicContact CG1-CG 4.46Å; V360-L453 HydrophobicContact CG2-CB 4.03Å; C361-L453 PolarHBondContact O-N 2.81Å; P363-L453 WeakPolarHBondContact CD-O 3.42Å; P363-L453 WeakPolarHBondContact CG-O 3.21Å; P441-L453 HydrophobicContact CB-CD1 3.64Å; V443-L453 HydrophobicContact CG1-CD1 4.19Å; L453-G455 WeakPolarHBondContact CD1-O 3.46Å; L453-V456 HydrophobicContact CD2-CG2 4.45Å; L453-V475 HydrophobicContact CD2-CG2 4.09Å; L453-V475 HydrophobicContact CG-CG2 3.9Å; L453-V475 WeakPolarHBondContact O-CB 3.17Å; L453-V475 WeakPolarHBondContact O-CG1 3.34Å
454	A	92.3	Very high	78.9	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-40.3	-179	0	0	0	0	0	111.9	F369 M422 L442 C444 F452 V475	F369-A454 HydrophobicContact CD1-CB 3.99Å; F369-A454 HydrophobicContact CD2-CB 3.77Å; F369-A454 HydrophobicContact CE1-CB 3.78Å; F369-A454 VanDerWaalsContact CE2-CA 3.48Å; F369-A454 HydrophobicContact CE2-CB 3.54Å; F369-A454 HydrophobicContact CG-CB 3.98Å; F369-A454 HydrophobicContact CZ-CB 3.54Å; M422-A454 HydrophobicContact CE-CB 4.35Å; L442-A454 PolarHBondContact O-N 2.75Å; C444-A454 HydrophobicContact CB-CB 4.25Å; C444-A454 WeakPolarHBondContact SG-CB 3.27Å; F452-A454 PolarHBondContact O-N 2.83Å; F452-A454 VanDerWaalsContact O-N 3.15Å; A454-V475 PolarHBondContact O-N 2.87Å; A454-V475 VanDerWaalsContact O-N 3.14Å
455	G	93.1	Very high	78.2	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	168.4	179	0	0	0	0	0	113.9	L442 L453 A473	L442-G455 WeakPolarHBondContact CB-O 3.4Å; L442-G455 PolarHBondContact N-O 3.27Å; L442-G455 PolarHBondContact O-N 2.9Å; L453-G455 WeakPolarHBondContact CD1-O 3.46Å; G455-A473 CarbonylContact C-O 3.41Å; G455-A473 WeakPolarHBondContact CA-O 2.97Å
456	V	94.9	Very high	78.1	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	130.4	172.3	177.3	0	0	0	0	108.2	V288 A290 M342 L453 S458 Y472 A473 V475	V288-V456 HydrophobicContact CG1-CG2 3.89Å; A290-V456 HydrophobicContact CB-CG1 4.29Å; M342-V456 HydrophobicContact CE-CB 4.38Å; M342-V456 HydrophobicContact CE-CG2 3.62Å; L453-V456 HydrophobicContact CD2-CG2 4.45Å; V456-S458 PolarHBondContact O-N 3.29Å; V456-Y472 CarbonylContact O-C 3.53Å; V456-Y472 WeakPolarHBondContact O-CA 3.2Å; V456-Y472 WeakPolarHBondContact O-CB 3.46Å; V456-A473 HydrophobicContact CB-CB 4.35Å; V456-A473 PolarHBondContact N-O 2.56Å; V456-A473 VanDerWaalsContact N-O 3.07Å; V456-A473 PolarHBondContact O-N 3.01Å; V456-V475 HydrophobicContact CG2-CG2 4.16Å
457	V	93.6	Very high	79.1	Confident	5 Å²	5	29.6 Å²	29.6	3%	0.03	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	123.9	179.5	179.4	0	0	0	0	109.1	V377 D437 G439 G440 Y472	V377-V457 HydrophobicContact CG2-CG2 3.78Å; D437-V457 HydrophobicContact CB-CG1 4.24Å; D437-V457 WeakPolarHBondContact O-CB 3.37Å; G439-V457 PolarHBondContact N-O 3.1Å; G440-V457 WeakPolarHBondContact O-CG2 3.41Å; G440-V457 PolarHBondContact O-N 2.89Å; V457-Y472 HydrophobicContact CB-CD1 4.36Å; V457-Y472 HydrophobicContact CB-CE1 4.32Å; V457-Y472 HydrophobicContact CG2-CD1 3.98Å; V457-Y472 HydrophobicContact CG2-CE1 3.6Å
458	S	89.9	Confident	80.4	Confident	5 Å²	5	32.2 Å²	32.2	4%	0.035	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	-70.8	-172.4	-179.3	0	0	0	0	111.4	H292 D341 V456 V471	H292-S458 PolarHBondContact CE1-O 2.95Å; D341-S458 WeakPolarHBondContact CB-OG 3.46Å; D341-S458 WeakPolarHBondContact OD2-CA 3.25Å; D341-S458 VanDerWaalsContact OD2-CB 3.26Å; D341-S458 WeakPolarHBondContact OD2-CB 3.44Å; D341-S458 PolarHBondContact OD2-OG 2.82Å; V456-S458 PolarHBondContact O-N 3.29Å; S458-V471 WeakPolarHBondContact CB-O 3.3Å; S458-V471 PolarHBondContact N-O 2.91Å; S458-V471 VanDerWaalsContact N-O 3.15Å
459	W	84.6	Confident	82.1	Confident	64 Å²	64	28.8 Å²	28.8	24%	0.242	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	171.7	-177.7	64.5	-89.3	0	0	0	112.8	Y413 I417 M421 V461 V471	Y413-W459 AromaticContact CD1-CH2 3.86Å; Y413-W459 HydrophobicContact CD1-CH2 3.86Å; Y413-W459 AromaticContact CD1-CZ3 3.91Å; Y413-W459 HydrophobicContact CD1-CZ3 3.91Å; Y413-W459 AromaticContact CE1-CH2 3.99Å; Y413-W459 HydrophobicContact CE1-CH2 3.99Å; Y413-W459 AromaticContact CE1-CZ3 3.61Å; Y413-W459 HydrophobicContact CE1-CZ3 3.61Å; Y413-W459 HydrophobicContact CG-CH2 4.35Å; I417-W459 HydrophobicContact CD1-CH2 4.1Å; I417-W459 HydrophobicContact CD1-CZ2 3.94Å; M421-W459 HydrophobicContact SD-CZ2 4.26Å; W459-V461 HydrophobicContact CZ3-CG2 4.33Å; W459-V471 HydrophobicContact CD2-CB 4.05Å; W459-V471 HydrophobicContact CD2-CG1 4.46Å; W459-V471 HydrophobicContact CD2-CG2 4.19Å; W459-V471 HydrophobicContact CE3-CG2 4.29Å; W459-V471 HydrophobicContact CG-CB 4.33Å; W459-V471 HydrophobicContact CH2-CG2 4.06Å; W459-V471 HydrophobicContact CZ2-CB 4.24Å; W459-V471 HydrophobicContact CZ2-CG1 4.03Å; W459-V471 HydrophobicContact CZ2-CG2 3.96Å; W459-V471 HydrophobicContact CZ3-CG2 4.23Å; W459-V471 PolarHBondContact N-O 3.45Å; W459-V471 VanDerWaalsContact N-O 3.17Å; W459-V471 WeakPolarHBondContact O-CA 3.45Å; W459-V471 VanDerWaalsContact O-CB 3.3Å; W459-V471 WeakPolarHBondContact O-CB 3.48Å; W459-V471 PolarHBondContact O-N 2.82Å
460	G	79.8	Confident	83.3	Confident	35 Å²	35	27.1 Å²	27.1	36%	0.361	16%	0.158	S	C	.	.			trans	-167.5	158.4	174.6	0	0	0	0	0	110.9	G462	G460-G462 PolarHBondContact O-N 2.89Å
461	V	74.1	Confident	84.1	Confident	63 Å²	63	26.6 Å²	26.6	38%	0.382	16%	0.156	S	C	.	.	S	Bend	trans	-92.4	99.5	173.3	174.6	0	0	0	0	108.8	Y413 W459 R468	Y413-V461 HydrophobicContact CE1-CB 4.25Å; Y413-V461 HydrophobicContact CE1-CG2 3.82Å; W459-V461 HydrophobicContact CZ3-CG2 4.33Å; V461-R468 HydrophobicContact CB-CG 4.28Å; V461-R468 HydrophobicContact CG1-CG 4.4Å; V461-R468 WeakPolarHBondContact O-CB 3.33Å
462	G	70.3	Confident	84.5	Confident	23 Å²	23	26.4 Å²	26.4	24%	0.237	16%	0.155	C	C	.	.	S	Bend	trans	70.9	-166.4	-168.9	0	0	0	0	0	111.8	Q385 G460	Q385-G462 VanDerWaalsContact CD-CA 3.48Å; G460-G462 PolarHBondContact O-N 2.89Å
463	C	71.1	Confident	84.7	Confident	23 Å²	23	26.4 Å²	26.4	16%	0.155	16%	0.156	C	C	.	.	S	Bend	trans	-128.5	126.8	176.4	-52.3	0	0	0	0	109.1	Q385 C434 Q465	Q385-C463 HydrophobicContact CB-CB 4.22Å; C434-C463 WeakPolarHBondContact CA-SG 3.13Å; C434-C463 HydrophobicContact CB-CB 3.74Å; C434-C463 WeakPolarHBondContact CB-SG 3.41Å; C434-C463 WeakPolarHBondContact SG-CB 3.45Å; C434-C463 CovalentContact SG-SG 2.04Å; C434-C463 PolarHBondContact SG-SG 2.84Å; C463-Q465 VanDerWaalsContact C-N 3.27Å; C463-Q465 PolarHBondContact O-N 2.97Å
464	A	66.8	Low	84.7	Confident	33 Å²	33	28.9 Å²	28.9	27%	0.273	17%	0.165	S	C	.	.	S	Bend	trans	61.8	26.4	174	0	0	0	0	0	115.5	G429 K430 D432	G429-A464 CarbonylContact C-O 3.44Å; G429-A464 VanDerWaalsContact CA-O 3.25Å; G429-A464 WeakPolarHBondContact CA-O 3.05Å; K430-A464 PolarHBondContact N-O 3.41Å; D432-A464 HydrophobicContact CB-CB 3.79Å; D432-A464 VanDerWaalsContact CB-N 3.27Å; D432-A464 PolarHBondContact OD2-N 2.65Å
465	Q	72.6	Confident	84.6	Confident	74 Å²	74	28.9 Å²	28.9	35%	0.346	17%	0.165	S	C	.	.			trans	-80.7	155.7	176.5	-58	-173.4	1.3	0	0	112.2	C463 N467 R468	C463-Q465 VanDerWaalsContact C-N 3.27Å; C463-Q465 PolarHBondContact O-N 2.97Å; Q465-N467 PolarHBondContact O-N 2.83Å; Q465-R468 HydrophobicContact CB-CB 4.03Å; Q465-R468 HydrophobicContact CB-CG 4.11Å; Q465-R468 PolarHBondContact O-N 3.21Å
466	V	80.4	Confident	84.4	Confident	97 Å²	97	29.6 Å²	29.6	59%	0.588	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	133.1	174.1	-177.4	0	0	0	0	109.5	L427 R468	L427-V466 CarbonylContact O-C 3.59Å; L427-V466 WeakPolarHBondContact O-CA 3.47Å; V466-R468 PolarHBondContact O-N 3.35Å
467	N	82.7	Confident	84	Confident	61 Å²	61	35 Å²	35	33%	0.326	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	19.3	-177	-60.3	-34.1	0	0	0	115.1	V412 L427 Q465	V412-N467 VanDerWaalsContact CG1-O 3.26Å; V412-N467 WeakPolarHBondContact CG1-O 3.16Å; V412-N467 HydrophobicContact CG2-CB 4.48Å; L427-N467 PolarHBondContact O-N 2.78Å; Q465-N467 PolarHBondContact O-N 2.83Å
468	R	82.2	Confident	83.7	Confident	66 Å²	66	35.1 Å²	35.1	25%	0.249	19%	0.194	C	C	.	.			trans	-126.8	74.2	173.6	-57.3	-60.2	-169.6	-173.7	-11.6	110.1	V412 V461 Q465 V466	V412-R468 PolarHBondContact O-NH1 3.01Å; V461-R468 HydrophobicContact CB-CG 4.28Å; V461-R468 HydrophobicContact CG1-CG 4.4Å; V461-R468 WeakPolarHBondContact O-CB 3.33Å; Q465-R468 HydrophobicContact CB-CB 4.03Å; Q465-R468 HydrophobicContact CB-CG 4.11Å; Q465-R468 PolarHBondContact O-N 3.21Å; V466-R468 PolarHBondContact O-N 3.35Å
469	P	88.3	Confident	83.5	Confident	2 Å²	2	37 Å²	37	1%	0.013	20%	0.2	C	C	.	.			trans	-74.1	155.4	175	32.3	-34.7	0	0	0	111.2	I402 V412 Y413 C423 L427	I402-P469 HydrophobicContact CD1-CB 3.42Å; I402-P469 VanDerWaalsContact CD1-CB 3.42Å; I402-P469 HydrophobicContact CD1-CG 3.7Å; V412-P469 HydrophobicContact CG1-CG 4.23Å; Y413-P469 HydrophobicContact CE2-CG 4.07Å; Y413-P469 WeakPolarHBondContact CE2-O 3.44Å; Y413-P469 PolarHBondContact OH-O 3.4Å; C423-P469 HydrophobicContact CB-CG 4.39Å; L427-P469 HydrophobicContact CD2-CG 4.29Å
470	G	87.3	Confident	83.4	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	142.6	173.5	0	0	0	0	0	113.5	C423 A424 D432 Y472	C423-G470 WeakPolarHBondContact CA-O 3.13Å; A424-G470 PolarHBondContact N-O 3.04Å; A424-G470 PolarHBondContact O-N 3.35Å; D432-G470 VanDerWaalsContact OD1-CA 3.23Å; D432-G470 WeakPolarHBondContact OD1-CA 3.47Å; D432-G470 PolarHBondContact OD1-N 3.24Å; G470-Y472 WeakPolarHBondContact O-CD2 3.16Å; G470-Y472 WeakPolarHBondContact O-CE2 3.34Å
471	V	92.7	Very high	83.8	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.3	177.7	-172.9	0	0	0	0	109.5	Y413 I417 M421 S458 W459	Y413-V471 HydrophobicContact CD2-CG2 4.27Å; Y413-V471 HydrophobicContact CE2-CG2 3.61Å; I417-V471 HydrophobicContact CD1-CG1 4.03Å; I417-V471 HydrophobicContact CD1-CG2 3.78Å; M421-V471 HydrophobicContact CB-CG1 3.98Å; M421-V471 HydrophobicContact CG-CG1 4.21Å; M421-V471 HydrophobicContact SD-CG1 4.13Å; S458-V471 WeakPolarHBondContact CB-O 3.3Å; S458-V471 PolarHBondContact N-O 2.91Å; S458-V471 VanDerWaalsContact N-O 3.15Å; W459-V471 HydrophobicContact CD2-CB 4.05Å; W459-V471 HydrophobicContact CD2-CG1 4.46Å; W459-V471 HydrophobicContact CD2-CG2 4.19Å; W459-V471 HydrophobicContact CE3-CG2 4.29Å; W459-V471 HydrophobicContact CG-CB 4.33Å; W459-V471 HydrophobicContact CH2-CG2 4.06Å; W459-V471 HydrophobicContact CZ2-CB 4.24Å; W459-V471 HydrophobicContact CZ2-CG1 4.03Å; W459-V471 HydrophobicContact CZ2-CG2 3.96Å; W459-V471 HydrophobicContact CZ3-CG2 4.23Å; W459-V471 PolarHBondContact N-O 3.45Å; W459-V471 VanDerWaalsContact N-O 3.17Å; W459-V471 WeakPolarHBondContact O-CA 3.45Å; W459-V471 VanDerWaalsContact O-CB 3.3Å; W459-V471 WeakPolarHBondContact O-CB 3.48Å; W459-V471 PolarHBondContact O-N 2.82Å
472	Y	94.6	Very high	84.3	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	144	-174.5	-56.2	-100.3	0	0	0	110	V377 M421 M422 A424 S433 L442 V456 V457 G470 R474	V377-Y472 HydrophobicContact CG2-CE1 4.07Å; M421-Y472 CarbonylContact C-O 3.46Å; M421-Y472 WeakPolarHBondContact CA-O 3.03Å; M422-Y472 PolarHBondContact N-O 3.13Å; M422-Y472 PolarHBondContact O-N 2.81Å; A424-Y472 HydrophobicContact CB-CD2 4.09Å; A424-Y472 HydrophobicContact CB-CE2 3.61Å; S433-Y472 PolarHBondContact OG-OH 2.65Å; L442-Y472 HydrophobicContact CB-CD1 3.67Å; L442-Y472 HydrophobicContact CB-CE1 3.83Å; L442-Y472 HydrophobicContact CB-CG 4.39Å; L442-Y472 HydrophobicContact CD1-CE1 4.24Å; L442-Y472 HydrophobicContact CD2-CD1 3.92Å; L442-Y472 HydrophobicContact CD2-CD2 4Å; L442-Y472 HydrophobicContact CD2-CE1 4.19Å; L442-Y472 HydrophobicContact CD2-CE2 4.28Å; L442-Y472 HydrophobicContact CD2-CG 3.84Å; L442-Y472 HydrophobicContact CG-CD1 4.3Å; L442-Y472 HydrophobicContact CG-CE1 4.3Å; V456-Y472 CarbonylContact O-C 3.53Å; V456-Y472 WeakPolarHBondContact O-CA 3.2Å; V456-Y472 WeakPolarHBondContact O-CB 3.46Å; V457-Y472 HydrophobicContact CB-CD1 4.36Å; V457-Y472 HydrophobicContact CB-CE1 4.32Å; V457-Y472 HydrophobicContact CG2-CD1 3.98Å; V457-Y472 HydrophobicContact CG2-CE1 3.6Å; G470-Y472 WeakPolarHBondContact O-CD2 3.16Å; G470-Y472 WeakPolarHBondContact O-CE2 3.34Å; Y472-R474 PolarHBondContact O-N 2.94Å
473	A	93.7	Very high	84.9	Confident	3 Å²	3	34.6 Å²	34.6	3%	0.025	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	124.5	169.4	0	0	0	0	0	109.4	D341 G455 V456 V475 L478	D341-A473 VanDerWaalsContact O-CB 3.31Å; D341-A473 WeakPolarHBondContact O-CB 3.23Å; G455-A473 CarbonylContact C-O 3.41Å; G455-A473 WeakPolarHBondContact CA-O 2.97Å; V456-A473 HydrophobicContact CB-CB 4.35Å; V456-A473 PolarHBondContact N-O 2.56Å; V456-A473 VanDerWaalsContact N-O 3.07Å; V456-A473 PolarHBondContact O-N 3.01Å; A473-V475 PolarHBondContact O-N 3.19Å; A473-L478 HydrophobicContact CB-CD1 3.89Å
474	R	93.1	Very high	85.5	Confident	51 Å²	51	39.3 Å²	39.3	19%	0.192	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	108	-171.8	-172.4	-174.3	-63.1	-153.7	1.7	111	S404 H419 K420 M421 M422 Y472 T476 K477 L478	S404-R474 PolarHBondContact OG-NH2 3.05Å; H419-R474 PolarHBondContact O-NE 2.77Å; K420-R474 VanDerWaalsContact O-CB 3.22Å; K420-R474 WeakPolarHBondContact O-CB 3.19Å; K420-R474 PolarHBondContact O-N 3.07Å; M421-R474 VanDerWaalsContact O-CZ 3.3Å; M421-R474 PolarHBondContact O-NE 3.31Å; M421-R474 PolarHBondContact O-NH2 2.94Å; M422-R474 HydrophobicContact CB-CB 4.39Å; M422-R474 HydrophobicContact CB-CG 4.47Å; M422-R474 HydrophobicContact CG-CB 4.32Å; M422-R474 HydrophobicContact SD-CB 4.35Å; M422-R474 HydrophobicContact SD-CG 4.1Å; Y472-R474 PolarHBondContact O-N 2.94Å; R474-T476 VanDerWaalsContact C-N 3.34Å; R474-T476 WeakPolarHBondContact CG-OG1 3.17Å; R474-T476 PolarHBondContact O-N 3.28Å; R474-K477 HydrophobicContact CG-CG 4.39Å; R474-K477 PolarHBondContact O-N 3.36Å; R474-L478 PolarHBondContact O-N 3.26Å
475	V	91.8	Very high	86.1	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.7	-34.2	-172.8	173.8	0	0	0	0	112.2	M342 P363 L453 A454 V456 A473 K477 L478 R479 I482	M342-V475 HydrophobicContact CE-CG2 3.85Å; P363-V475 HydrophobicContact CG-CG1 4.06Å; L453-V475 HydrophobicContact CD2-CG2 4.09Å; L453-V475 HydrophobicContact CG-CG2 3.9Å; L453-V475 WeakPolarHBondContact O-CB 3.17Å; L453-V475 WeakPolarHBondContact O-CG1 3.34Å; A454-V475 PolarHBondContact O-N 2.87Å; A454-V475 VanDerWaalsContact O-N 3.14Å; V456-V475 HydrophobicContact CG2-CG2 4.16Å; A473-V475 PolarHBondContact O-N 3.19Å; V475-K477 PolarHBondContact O-N 3.08Å; V475-L478 CarbonylContact O-C 3.5Å; V475-L478 PolarHBondContact O-N 3.32Å; V475-L478 VanDerWaalsContact O-N 3.16Å; V475-R479 WeakPolarHBondContact O-CA 3.42Å; V475-R479 WeakPolarHBondContact O-CB 3.42Å; V475-R479 PolarHBondContact O-N 3.28Å; V475-I482 HydrophobicContact CG1-CD1 4.05Å
476	T	87.4	Confident	86.3	Confident	16 Å²	16	37.9 Å²	37.9	10%	0.098	18%	0.178	C	C	.	.	H	α-helix	trans	-61.1	-29.4	178.3	52.4	0	0	0	0	113.3	P363 H367 F369 R474	P363-T476 HydrophobicContact CB-CG2 4.06Å; P363-T476 HydrophobicContact CG-CG2 3.78Å; H367-T476 HydrophobicContact CB-CG2 4.3Å; F369-T476 HydrophobicContact CD2-CG2 4.31Å; F369-T476 HydrophobicContact CE2-CG2 3.78Å; R474-T476 VanDerWaalsContact C-N 3.34Å; R474-T476 WeakPolarHBondContact CG-OG1 3.17Å; R474-T476 PolarHBondContact O-N 3.28Å
477	K	87.4	Confident	85.7	Confident	114 Å²	114	34.8 Å²	34.8	50%	0.496	16%	0.158	S	C	.	.	H	α-helix	trans	-90.1	-27.1	176.4	-64.5	-61.8	-176.4	-175.7	0	113	R474 V475	R474-K477 HydrophobicContact CG-CG 4.39Å; R474-K477 PolarHBondContact O-N 3.36Å; V475-K477 PolarHBondContact O-N 3.08Å
478	L	87	Confident	84.6	Confident	7 Å²	7	35.8 Å²	35.8	4%	0.037	17%	0.168	C	C	.	.	H	α-helix	trans	-97.5	-0.8	-179.7	-62.7	172.8	0	0	0	113.9	N340 M342 K420 A473 R474 V475 N480 F481 I482	N340-L478 VanDerWaalsContact OD1-CD2 3.31Å; N340-L478 WeakPolarHBondContact OD1-CD2 3.47Å; M342-L478 HydrophobicContact CB-CD1 4.1Å; M342-L478 HydrophobicContact CE-CB 4.12Å; M342-L478 HydrophobicContact CE-CD1 4.14Å; M342-L478 HydrophobicContact SD-CB 3.55Å; M342-L478 VanDerWaalsContact SD-CB 3.55Å; M342-L478 HydrophobicContact SD-CD1 4.17Å; M342-L478 HydrophobicContact SD-CG 4.49Å; K420-L478 HydrophobicContact CD-CD2 4.13Å; A473-L478 HydrophobicContact CB-CD1 3.89Å; R474-L478 PolarHBondContact O-N 3.26Å; V475-L478 CarbonylContact O-C 3.5Å; V475-L478 PolarHBondContact O-N 3.32Å; V475-L478 VanDerWaalsContact O-N 3.16Å; L478-N480 VanDerWaalsContact C-N 3.29Å; L478-N480 PolarHBondContact O-N 3Å; L478-F481 WeakPolarHBondContact O-CB 3.2Å; L478-F481 PolarHBondContact O-N 2.04Å; L478-F481 VanDerWaalsContact O-N 3.08Å; L478-I482 PolarHBondContact O-N 2.86Å
479	R	85.1	Confident	83.1	Confident	44 Å²	44	35.9 Å²	35.9	17%	0.166	18%	0.183	C	C	.	.	H	α-helix	trans	-49.1	-45	-179.1	176.2	-176	-170.3	-94.4	0	113.7	I362 P363 V475 F481 I482 L483	I362-R479 HydrophobicContact CG2-CG 3.8Å; P363-R479 WeakPolarHBondContact O-CD 3.11Å; P363-R479 PolarHBondContact O-NE 2.9Å; P363-R479 VanDerWaalsContact O-NE 3.17Å; V475-R479 WeakPolarHBondContact O-CA 3.42Å; V475-R479 WeakPolarHBondContact O-CB 3.42Å; V475-R479 PolarHBondContact O-N 3.28Å; R479-F481 PolarHBondContact O-N 2.93Å; R479-I482 WeakPolarHBondContact O-CB 3.42Å; R479-I482 PolarHBondContact O-N 3.07Å; R479-L483 HydrophobicContact CG-CD1 3.75Å; R479-L483 HydrophobicContact CG-CG 4.12Å; R479-L483 PolarHBondContact O-N 2.83Å
480	N	84	Confident	81.5	Confident	101 Å²	101	38.7 Å²	38.7	54%	0.54	20%	0.197	S	C	.	.	H	α-helix	trans	-62.9	-33.8	-175.4	-68.8	-8	0	0	0	111.8	L478 K484	L478-N480 VanDerWaalsContact C-N 3.29Å; L478-N480 PolarHBondContact O-N 3Å; N480-K484 VanDerWaalsContact O-CB 3.32Å; N480-K484 WeakPolarHBondContact O-CB 3.32Å; N480-K484 PolarHBondContact O-N 3.26Å
481	F	86.8	Confident	79.8	Confident	26 Å²	26	41.9 Å²	41.9	11%	0.114	22%	0.217	C	C	.	.	H	α-helix	trans	-63.8	-45.2	172.5	172.3	-104.8	0	0	0	111.1	I328 N330 M342 V344 L478 R479 Y485	I328-F481 HydrophobicContact CG2-CZ 4.3Å; N330-F481 VanDerWaalsContact CA-CZ 3.4Å; N330-F481 HydrophobicContact CB-CD1 4.26Å; N330-F481 HydrophobicContact CB-CD2 4.37Å; N330-F481 HydrophobicContact CB-CE1 3.84Å; N330-F481 HydrophobicContact CB-CE2 3.97Å; N330-F481 HydrophobicContact CB-CZ 3.7Å; M342-F481 HydrophobicContact CG-CD1 4.1Å; M342-F481 HydrophobicContact CG-CE1 4.25Å; M342-F481 HydrophobicContact SD-CD1 4.44Å; V344-F481 HydrophobicContact CG2-CD1 4.25Å; V344-F481 HydrophobicContact CG2-CE1 3.82Å; V344-F481 HydrophobicContact CG2-CZ 4.47Å; L478-F481 WeakPolarHBondContact O-CB 3.2Å; L478-F481 PolarHBondContact O-N 2.04Å; L478-F481 VanDerWaalsContact O-N 3.08Å; R479-F481 PolarHBondContact O-N 2.93Å; F481-Y485 AromaticContact CD2-CE2 3.98Å; F481-Y485 HydrophobicContact CD2-CE2 3.98Å; F481-Y485 HydrophobicContact CE2-CD2 4.33Å; F481-Y485 AromaticContact CE2-CE2 3.64Å; F481-Y485 HydrophobicContact CE2-CE2 3.64Å; F481-Y485 HydrophobicContact CZ-CE2 4.31Å; F481-Y485 VanDerWaalsContact O-CD2 3.3Å; F481-Y485 WeakPolarHBondContact O-CD2 3.49Å
482	I	85.7	Confident	77.2	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.5	-50.1	176.8	-53.4	171.5	0	0	0	110.7	V288 M342 V344 I362 V475 L478 R479 K484 Y485 T486	V288-I482 HydrophobicContact CG2-CD1 4.21Å; V288-I482 HydrophobicContact CG2-CG1 4.17Å; V288-I482 HydrophobicContact CG2-CG2 3.8Å; M342-I482 HydrophobicContact CE-CD1 4.11Å; M342-I482 HydrophobicContact SD-CD1 3.58Å; M342-I482 VanDerWaalsContact SD-CD1 3.58Å; M342-I482 HydrophobicContact SD-CG1 3.5Å; M342-I482 VanDerWaalsContact SD-CG1 3.5Å; V344-I482 HydrophobicContact CG2-CG2 4.45Å; I362-I482 HydrophobicContact CD1-CB 4.43Å; I362-I482 HydrophobicContact CD1-CG2 3.63Å; V475-I482 HydrophobicContact CG1-CD1 4.05Å; L478-I482 PolarHBondContact O-N 2.86Å; R479-I482 WeakPolarHBondContact O-CB 3.42Å; R479-I482 PolarHBondContact O-N 3.07Å; I482-K484 PolarHBondContact O-N 3.1Å; I482-Y485 PolarHBondContact O-N 3.09Å; I482-T486 HydrophobicContact CG2-CG2 4.02Å; I482-T486 WeakPolarHBondContact O-CB 3.47Å; I482-T486 VanDerWaalsContact O-CG2 3.31Å; I482-T486 WeakPolarHBondContact O-CG2 3.28Å; I482-T486 PolarHBondContact O-N 3.02Å; I482-T486 PolarHBondContact O-OG1 2.68Å
483	L	82.8	Confident	74.5	Confident	8 Å²	8	54.9 Å²	54.9	4%	0.042	29%	0.286	C	S	.	.	H	α-helix	trans	-70.1	-30.4	-174.5	-66.9	-178.3	0	0	0	113.6	I362 R479 Y485 T486 D487 L490 V491	I362-L483 HydrophobicContact CD1-CD2 4.07Å; R479-L483 HydrophobicContact CG-CD1 3.75Å; R479-L483 HydrophobicContact CG-CG 4.12Å; R479-L483 PolarHBondContact O-N 2.83Å; L483-Y485 PolarHBondContact O-N 3.18Å; L483-T486 WeakPolarHBondContact CA-OG1 3.5Å; L483-T486 PolarHBondContact O-N 3.41Å; L483-D487 CarbonylContact O-C 3.56Å; L483-D487 WeakPolarHBondContact O-CA 3.33Å; L483-D487 PolarHBondContact O-N 3.4Å; L483-D487 VanDerWaalsContact O-O 3.08Å; L483-L490 HydrophobicContact CD1-CB 4.2Å; L483-L490 HydrophobicContact CD2-CD1 4.26Å; L483-V491 HydrophobicContact CB-CG2 3.75Å
484	K	82.7	Confident	71.6	Confident	121 Å²	121	62 Å²	62	53%	0.526	32%	0.319	S	S	.	.	H	α-helix	trans	-51.1	-34.9	175	-178	-179.4	177.8	-172.2	0	112.9	N480 I482	N480-K484 VanDerWaalsContact O-CB 3.32Å; N480-K484 WeakPolarHBondContact O-CB 3.32Å; N480-K484 PolarHBondContact O-N 3.26Å; I482-K484 PolarHBondContact O-N 3.1Å
485	Y	80.5	Confident	68.7	Low	72 Å²	72	65.1 Å²	65.1	28%	0.282	34%	0.343	S	S	.	.	H	α-helix	trans	-103.3	-32.2	-179	-60.3	-78.6	0	0	0	113.1	W286 I328 F481 I482 L483	W286-Y485 WeakPolarHBondContact CZ2-O 3.33Å; I328-Y485 HydrophobicContact CD1-CD1 3.57Å; I328-Y485 HydrophobicContact CD1-CE1 4.01Å; I328-Y485 HydrophobicContact CD1-CG 3.92Å; I328-Y485 HydrophobicContact CG2-CD1 4.37Å; I328-Y485 HydrophobicContact CG2-CD2 4.22Å; I328-Y485 HydrophobicContact CG2-CE1 3.96Å; I328-Y485 HydrophobicContact CG2-CE2 3.84Å; I328-Y485 HydrophobicContact CG2-CG 4.48Å; F481-Y485 AromaticContact CD2-CE2 3.98Å; F481-Y485 HydrophobicContact CD2-CE2 3.98Å; F481-Y485 HydrophobicContact CE2-CD2 4.33Å; F481-Y485 AromaticContact CE2-CE2 3.64Å; F481-Y485 HydrophobicContact CE2-CE2 3.64Å; F481-Y485 HydrophobicContact CZ-CE2 4.31Å; F481-Y485 VanDerWaalsContact O-CD2 3.3Å; F481-Y485 WeakPolarHBondContact O-CD2 3.49Å; I482-Y485 PolarHBondContact O-N 3.09Å; L483-Y485 PolarHBondContact O-N 3.18Å
486	T	76.2	Confident	65.6	Low	6 Å²	6	74.7 Å²	74.7	4%	0.037	39%	0.385	C	S	.	.	H	α-helix	trans	-89	-31	-174.2	59	0	0	0	0	114.1	W286 V344 I482 L483	W286-T486 HydrophobicContact CB-CG2 3.52Å; W286-T486 HydrophobicContact CD2-CG2 3.99Å; W286-T486 HydrophobicContact CE3-CG2 4.4Å; W286-T486 HydrophobicContact CG-CG2 3.64Å; V344-T486 HydrophobicContact CG1-CG2 3.94Å; I482-T486 HydrophobicContact CG2-CG2 4.02Å; I482-T486 WeakPolarHBondContact O-CB 3.47Å; I482-T486 VanDerWaalsContact O-CG2 3.31Å; I482-T486 WeakPolarHBondContact O-CG2 3.28Å; I482-T486 PolarHBondContact O-N 3.02Å; I482-T486 PolarHBondContact O-OG1 2.68Å; L483-T486 WeakPolarHBondContact CA-OG1 3.5Å; L483-T486 PolarHBondContact O-N 3.41Å
487	D	67.6	Low	62.9	Low	32 Å²	32	81.4 Å²	81.4	17%	0.171	42%	0.419	C	S	.	.			trans	-160.2	85.3	177	-166.7	-13.5	0	0	0	111.9	L483 A489 L490	L483-D487 CarbonylContact O-C 3.56Å; L483-D487 WeakPolarHBondContact O-CA 3.33Å; L483-D487 PolarHBondContact O-N 3.4Å; L483-D487 VanDerWaalsContact O-O 3.08Å; D487-A489 PolarHBondContact O-N 3.13Å; D487-A489 PolarHBondContact OD1-N 2.98Å; D487-L490 HydrophobicContact CB-CD1 4.02Å; D487-L490 HydrophobicContact CB-CG 4.43Å; D487-L490 PolarHBondContact O-N 2.92Å; D487-L490 WeakPolarHBondContact OD2-CD1 3.18Å
488	P	59.8	Low	60	Low	82 Å²	82	81.9 Å²	81.9	53%	0.532	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-65.2	-20.3	-175	-18	29.5	0	0	0	114.2	L490 V491	P488-L490 PolarHBondContact O-N 3.18Å; P488-V491 PolarHBondContact O-N 3.07Å
489	A	51.9	Low	57.3	Low	68 Å²	68	87.1 Å²	87.1	56%	0.562	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-68.2	-25.6	180	0	0	0	0	0	112.1	D487 V491	D487-A489 PolarHBondContact O-N 3.13Å; D487-A489 PolarHBondContact OD1-N 2.98Å; A489-V491 VanDerWaalsContact C-N 3.27Å; A489-V491 PolarHBondContact O-N 3.38Å
490	L	53.5	Low	54.6	Low	60 Å²	60	91.5 Å²	91.5	31%	0.314	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-81.3	-2.2	176.4	-66.3	173.8	0	0	0	113.9	L483 D487 P488	L483-L490 HydrophobicContact CD1-CB 4.2Å; L483-L490 HydrophobicContact CD2-CD1 4.26Å; D487-L490 HydrophobicContact CB-CD1 4.02Å; D487-L490 HydrophobicContact CB-CG 4.43Å; D487-L490 PolarHBondContact O-N 2.92Å; D487-L490 WeakPolarHBondContact OD2-CD1 3.18Å; P488-L490 PolarHBondContact O-N 3.18Å
491	V	50.6	Low	52	Low	68 Å²	68	93.9 Å²	93.9	41%	0.412	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-18.7	-178.6	-175.2	0	0	0	0	111.8	L483 P488 A489	L483-V491 HydrophobicContact CB-CG2 3.75Å; P488-V491 PolarHBondContact O-N 3.07Å; A489-V491 VanDerWaalsContact C-N 3.27Å; A489-V491 PolarHBondContact O-N 3.38Å
492	N	39.6	Very low	49.5	Very low	114 Å²	114	98.3 Å²	98.3	61%	0.61	54%	0.54	S	S	*	.			trans	-110.4	85.8	-169.2	-119	9.8	0	0	0	113	H494	N492-H494 PolarHBondContact O-N 3.43Å; N492-H494 PolarHBondContact OD1-CD2 2.9Å
493	D	36.8	Very low	46.6	Very low	159 Å²	159	102.7 Å²	102.7	85%	0.85	58%	0.576	S	S	*	*			trans	-79.5	52.4	161.5	-132.8	-0.9	0	0	0	109.9
494	H	34.2	Very low	43.9	Very low	154 Å²	154	107.8 Å²	107.8	71%	0.713	61%	0.61	S	S	*	*			trans	-102.9	99.2	171.5	-86.7	-52	0	0	0	109.4	N492 K496	N492-H494 PolarHBondContact O-N 3.43Å; N492-H494 PolarHBondContact OD1-CD2 2.9Å; H494-K496 PolarHBondContact O-N 2.94Å
495	V	32.4	Very low	41.7	Very low	116 Å²	116	110 Å²	110	70%	0.703	63%	0.627	S	S	*	*			trans	-40.5	114.2	168.1	178.3	0	0	0	0	111.2	L497	V495-L497 HydrophobicContact CG1-CD1 4.09Å; V495-L497 HydrophobicContact CG1-CG 3.82Å
496	K	25.5	Very low	39.1	Very low	201 Å²	201	113 Å²	113	87%	0.874	65%	0.652	S	S	*	*			trans	-97.2	101.7	151.5	-82.6	-169.6	177.4	-177.4	0	107.9	H494 V498	H494-K496 PolarHBondContact O-N 2.94Å; K496-V498 PolarHBondContact O-N 2.77Å
497	L	31.7	Very low	37.1	Very low	156 Å²	156	119.8 Å²	119.8	82%	0.817	69%	0.688	S	S	*	*			trans	-60.3	117.9	164.1	-80.1	138.1	0	0	0	108.6	V495	V495-L497 HydrophobicContact CG1-CD1 4.09Å; V495-L497 HydrophobicContact CG1-CG 3.82Å
498	V	25.8	Very low	35.2	Very low	125 Å²	125	125.6 Å²	125.6	76%	0.758	72%	0.72	S	S	*	*			trans	-104.4	121.8	159	-179.2	0	0	0	0	106.7	K496 T500	K496-V498 PolarHBondContact O-N 2.77Å; V498-T500 PolarHBondContact O-N 2.83Å
499	P	30.5	Very low	33.9	Very low	116 Å²	116	127.2 Å²	127.2	75%	0.753	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-67.3	131.7	-179.9	-15.4	28.5	0	0	0	111.5	I501	P499-I501 PolarHBondContact O-N 3.24Å
500	T	28.4	Very low	32.7	Very low	136 Å²	136	132.7 Å²	132.7	83%	0.834	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-68.7	120.2	171.3	-32.1	0	0	0	0	109.6	V498	V498-T500 PolarHBondContact O-N 2.83Å
501	I	30.2	Very low	31.7	Very low	151 Å²	151	135.7 Å²	135.7	77%	0.774	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-102.5	125.4	159.2	-59	176.2	0	0	0	106.7	P499 A503	P499-I501 PolarHBondContact O-N 3.24Å; I501-A503 PolarHBondContact O-N 3.08Å
502	P	32.3	Very low	30.8	Very low	119 Å²	119	138.4 Å²	138.4	77%	0.773	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-78.8	120.1	173.7	29.5	-28.5	0	0	0	109.7
503	A	25.8	Very low	30.5	Very low	92 Å²	92	139.7 Å²	139.7	76%	0.76	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-100.9	140	167.2	0	0	0	0	0	110.1	I501	I501-A503 PolarHBondContact O-N 3.08Å
504	P	27.2	Very low	30.3	Very low	116 Å²	116	138.9 Å²	138.9	75%	0.753	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-82.2	147.2	-169	30.7	-29.9	0	0	0	113.2	T506	P504-T506 PolarHBondContact O-N 3.31Å
505	L	34.6	Very low	30.2	Very low	168 Å²	168	139 Å²	139	88%	0.88	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-54	119.4	169.6	-76.7	146.5	0	0	0	110.9
506	T	27.2	Very low	30.1	Very low	133 Å²	133	138.2 Å²	138.2	82%	0.816	79%	0.788	S	S	*	*			trans	-122.6	118.9	158.4	48	0	0	0	0	109.1	P504	P504-T506 PolarHBondContact O-N 3.31Å
507	N	33.8	Very low	30.4	Very low	149 Å²	149	135.9 Å²	135.9	80%	0.797	78%	0.783	S	S	*	*			trans	-67.1	132.7	176.7	-69.8	-37.8	0	0	0	110.6
508	N	27.8	Very low	30.4	Very low	155 Å²	155	133.5 Å²	133.5	83%	0.829	78%	0.777	S	S	*	*			trans	-160.7	134	138	-104.8	-14.1	0	0	0	110.3	M510	N508-M510 PolarHBondContact O-N 3.3Å
509	P	32.5	Very low	30.9	Very low	115 Å²	115	131.1 Å²	131.1	75%	0.747	77%	0.77	S	S	*	*			trans	-80.9	118.1	178.7	32.2	-28.7	0	0	0	109.1	T511	P509-T511 PolarHBondContact O-N 2.77Å
510	M	27.3	Very low	31.4	Very low	184 Å²	184	132.5 Å²	132.5	91%	0.906	78%	0.777	S	S	*	*			trans	-84.7	105.9	159.5	-93.1	-164	-164.4	0	0	108.5	N508 V512	N508-M510 PolarHBondContact O-N 3.3Å; M510-V512 PolarHBondContact O-N 3.25Å; M510-V512 VanDerWaalsContact O-N 3.09Å
511	T	32.5	Very low	32.2	Very low	123 Å²	123	132.8 Å²	132.8	76%	0.755	77%	0.773	S	S	*	*			trans	-59.4	102.7	164.3	-27.4	0	0	0	0	108.7	P509 I513	P509-T511 PolarHBondContact O-N 2.77Å; T511-I513 HydrophobicContact CG2-CG1 4.27Å; T511-I513 PolarHBondContact O-N 3.15Å
512	V	30.4	Very low	33.2	Very low	125 Å²	125	126.5 Å²	126.5	76%	0.758	74%	0.742	S	S	*	*			trans	-83.7	97	163.9	-176.9	0	0	0	0	106.3	M510 L514	M510-V512 PolarHBondContact O-N 3.25Å; M510-V512 VanDerWaalsContact O-N 3.09Å; V512-L514 VanDerWaalsContact C-N 3.32Å; V512-L514 PolarHBondContact O-N 2.87Å
513	I	33.3	Very low	34.1	Very low	140 Å²	140	126 Å²	126	72%	0.718	74%	0.742	S	S	*	*			trans	-69.7	95.3	169.2	-62.2	173.9	0	0	0	106.6	T511	T511-I513 HydrophobicContact CG2-CG1 4.27Å; T511-I513 PolarHBondContact O-N 3.15Å
514	L	34.2	Very low	35.5	Very low	143 Å²	143	129.7 Å²	129.7	75%	0.749	74%	0.743	S	S	*	*			trans	-81.8	113.1	161.2	-156.5	74.5	0	0	0	106.6	V512 C516	V512-L514 VanDerWaalsContact C-N 3.32Å; V512-L514 PolarHBondContact O-N 2.87Å; L514-C516 VanDerWaalsContact C-N 3.29Å; L514-C516 PolarHBondContact O-N 3.21Å
515	L	30.8	Very low	37.2	Very low	157 Å²	157	127.1 Å²	127.1	82%	0.822	72%	0.723	S	S	*	*			trans	-65.5	88.4	174.1	-87.2	139.8	0	0	0	109.5
516	C	30.2	Very low	38.7	Very low	99 Å²	99	120.6 Å²	120.6	67%	0.669	69%	0.688	S	S	*	*			trans	-84.1	111.4	159.1	-73.5	0	0	0	0	107.8	L514 P518	L514-C516 VanDerWaalsContact C-N 3.29Å; L514-C516 PolarHBondContact O-N 3.21Å; C516-P518 WeakPolarHBondContact O-CD 3.31Å
517	I	31.8	Very low	40.8	Very low	152 Å²	152	119.3 Å²	119.3	78%	0.779	67%	0.672	S	S	*	*			trans	-76.8	122.6	166.3	-51.4	175.4	0	0	0	106.4	A519	I517-A519 PolarHBondContact O-N 2.85Å
518	P	31.9	Very low	42.4	Very low	106 Å²	106	112.5 Å²	112.5	69%	0.688	64%	0.636	S	S	*	*			trans	-72.2	110.7	176.2	27.5	-30	0	0	0	109	C516	C516-P518 WeakPolarHBondContact O-CD 3.31Å
519	A	36.3	Very low	44.4	Very low	74 Å²	74	107 Å²	107	61%	0.612	62%	0.617	S	S	*	*			trans	-81.1	117.9	168.9	0	0	0	0	0	108.8	I517 N521	I517-A519 PolarHBondContact O-N 2.85Å; A519-N521 PolarHBondContact O-N 3.3Å
520	T	41.7	Very low	45.7	Very low	145 Å²	145	108 Å²	108	89%	0.89	63%	0.626	S	S	*	*	S	Bend	trans	-80.6	9.8	-176.1	41.7	0	0	0	0	114.3
521	N	45.3	Very low	47.3	Very low	143 Å²	143	104.4 Å²	104.4	77%	0.765	62%	0.619	S	S	*	*			trans	-150.6	100.8	178.5	-140.7	-1.1	0	0	0	111.5	A519 S523	A519-N521 PolarHBondContact O-N 3.3Å; N521-S523 PolarHBondContact O-N 3.14Å
522	C	51.2	Low	49.1	Very low	19 Å²	19	102.1 Å²	102.1	13%	0.128	60%	0.602	C	S	.	*			trans	-102.1	68.3	-174	-54.5	0	0	0	0	110.8	E524 N525 H527 C533	C522-E524 VanDerWaalsContact C-N 3.33Å; C522-N525 HydrophobicContact CB-CB 4.43Å; C522-H527 VanDerWaalsContact CB-CE1 3.4Å; C522-H527 WeakPolarHBondContact CB-CE1 3.29Å; C522-H527 WeakPolarHBondContact CB-NE2 3.37Å; C522-H527 PolarHBondContact O-NE2 2.81Å; C522-C533 HydrophobicContact CB-CB 3.79Å; C522-C533 WeakPolarHBondContact CB-SG 3.22Å; C522-C533 WeakPolarHBondContact SG-CB 3.31Å; C522-C533 CovalentContact SG-SG 2.01Å; C522-C533 PolarHBondContact SG-SG 2.79Å
523	S	51.3	Low	50.8	Low	108 Å²	108	97.9 Å²	97.9	76%	0.755	58%	0.577	S	S	*	*	S	Bend	trans	-78.5	-16.8	-176.5	-150.2	0	0	0	0	113.6	N521	N521-S523 PolarHBondContact O-N 3.14Å
524	E	53.7	Low	52.5	Low	170 Å²	170	92.6 Å²	92.6	79%	0.794	55%	0.55	S	S	*	*	S	Bend	trans	-130.9	6.6	-176.7	-63	-172	164.5	0	0	114.2	C522	C522-E524 VanDerWaalsContact C-N 3.33Å
525	N	64.1	Low	53.8	Low	61 Å²	61	90.7 Å²	90.7	33%	0.326	55%	0.549	S	S	.	.	S	Bend	trans	-117.8	152.8	-174.5	-71.3	-22.3	0	0	0	111.8	C522 H527 C533 I534 S535	C522-N525 HydrophobicContact CB-CB 4.43Å; N525-H527 PolarHBondContact O-CD2 3.07Å; N525-H527 VanDerWaalsContact O-CD2 3.29Å; N525-C533 HydrophobicContact CB-CB 4.13Å; N525-I534 WeakPolarHBondContact CB-O 3.5Å; N525-S535 WeakPolarHBondContact OD1-CA 3.3Å; N525-S535 WeakPolarHBondContact OD1-CB 3.32Å
526	F	65.3	Low	55.4	Low	31 Å²	31	86.3 Å²	86.3	14%	0.136	52%	0.523	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	138.3	177.4	-176.1	-98.3	0	0	0	111.3	C533 I534 P539 E540 D552	F526-C533 CarbonylContact O-C 3.48Å; F526-C533 VanDerWaalsContact O-CA 3.25Å; F526-C533 WeakPolarHBondContact O-CA 3.22Å; F526-I534 PolarHBondContact N-O 3.09Å; F526-I534 VanDerWaalsContact N-O 3.13Å; F526-I534 PolarHBondContact O-N 3.39Å; F526-P539 HydrophobicContact CB-CB 4.41Å; F526-P539 HydrophobicContact CB-CG 3.22Å; F526-P539 HydrophobicContact CD1-CG 4.14Å; F526-P539 HydrophobicContact CD2-CG 4.23Å; F526-P539 HydrophobicContact CG-CG 3.62Å; F526-E540 HydrophobicContact CD2-CB 4.22Å; F526-E540 HydrophobicContact CE2-CB 3.7Å; F526-E540 HydrophobicContact CE2-CG 3.89Å; F526-E540 HydrophobicContact CZ-CB 4.22Å; F526-E540 HydrophobicContact CZ-CG 4.23Å; F526-D552 HydrophobicContact CD1-CB 4.31Å; F526-D552 HydrophobicContact CE1-CB 3.61Å; F526-D552 HydrophobicContact CZ-CB 4.13Å
527	H	71.4	Confident	57.2	Low	107 Å²	107	85.9 Å²	85.9	50%	0.495	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	113.8	-175.4	-70.5	-107.1	0	0	0	110.5	C522 N525 G529	C522-H527 VanDerWaalsContact CB-CE1 3.4Å; C522-H527 WeakPolarHBondContact CB-CE1 3.29Å; C522-H527 WeakPolarHBondContact CB-NE2 3.37Å; C522-H527 PolarHBondContact O-NE2 2.81Å; N525-H527 PolarHBondContact O-CD2 3.07Å; N525-H527 VanDerWaalsContact O-CD2 3.29Å; H527-G529 PolarHBondContact O-N 3.37Å
528	C	68.2	Low	59.1	Low	5 Å²	5	79.3 Å²	79.3	3%	0.034	48%	0.484	C	S	.	.			trans	-80.1	-3.9	174.6	-62.1	0	0	0	0	113.3	L532 I534 C547 N549	C528-L532 HydrophobicContact CB-CB 4.28Å; C528-L532 HydrophobicContact CB-CD2 4.18Å; C528-L532 HydrophobicContact CB-CG 4.34Å; C528-L532 PolarHBondContact N-O 3.43Å; C528-I534 WeakPolarHBondContact SG-CD1 3.47Å; C528-I534 WeakPolarHBondContact SG-CG1 3.43Å; C528-C547 WeakPolarHBondContact CA-SG 3.47Å; C528-C547 HydrophobicContact CB-CB 3.59Å; C528-C547 WeakPolarHBondContact CB-SG 2.97Å; C528-C547 VanDerWaalsContact SG-CA 3.56Å; C528-C547 WeakPolarHBondContact SG-CB 3.03Å; C528-C547 CovalentContact SG-SG 2.03Å; C528-C547 PolarHBondContact SG-SG 3.18Å; C528-N549 PolarHBondContact O-ND2 2.88Å; C528-N549 PolarHBondContact O-OD1 2.83Å
529	G	69.9	Low	60.8	Low	41 Å²	41	74.3 Å²	74.3	42%	0.423	45%	0.451	S	S	.	.	S	Bend	trans	153.2	-161.8	-175.8	0	0	0	0	0	112.5	H527 S531	H527-G529 PolarHBondContact O-N 3.37Å; G529-S531 PolarHBondContact O-N 2.78Å
530	S	58.3	Low	62.7	Low	135 Å²	135	72.6 Å²	72.6	94%	0.944	43%	0.431	S	S	*	.	S	Bend	trans	-68.1	-5.7	-170.1	48.6	0	0	0	0	116.2
531	S	62.5	Low	64.3	Low	109 Å²	109	66.3 Å²	66.3	76%	0.762	39%	0.392	S	S	*	.	S	Bend	trans	-156.9	10.6	-178.6	64.2	0	0	0	0	116.3	G529	G529-S531 PolarHBondContact O-N 2.78Å
532	L	68.9	Low	65.4	Low	74 Å²	74	59.5 Å²	59.5	39%	0.387	36%	0.356	S	S	.	.			trans	-131	128.7	-176.8	-174.9	70	0	0	0	110.8	C528 P548	C528-L532 HydrophobicContact CB-CB 4.28Å; C528-L532 HydrophobicContact CB-CD2 4.18Å; C528-L532 HydrophobicContact CB-CG 4.34Å; C528-L532 PolarHBondContact N-O 3.43Å; L532-P548 VanDerWaalsContact CD2-CD 3.42Å; L532-P548 HydrophobicContact CD2-CG 3.58Å
533	C	67.3	Low	66.4	Low	37 Å²	37	65.3 Å²	65.3	25%	0.25	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144.2	-177.4	-52.9	0	0	0	0	111	C522 N525 F526	C522-C533 HydrophobicContact CB-CB 3.79Å; C522-C533 WeakPolarHBondContact CB-SG 3.22Å; C522-C533 WeakPolarHBondContact SG-CB 3.31Å; C522-C533 CovalentContact SG-SG 2.01Å; C522-C533 PolarHBondContact SG-SG 2.79Å; N525-C533 HydrophobicContact CB-CB 4.13Å; F526-C533 CarbonylContact O-C 3.48Å; F526-C533 VanDerWaalsContact O-CA 3.25Å; F526-C533 WeakPolarHBondContact O-CA 3.22Å
534	I	68	Low	67.4	Low	29 Å²	29	64.1 Å²	64.1	15%	0.149	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.8	-178.8	-63.2	-175.6	0	0	0	109.7	N525 F526 C528 K536 D546 C547	N525-I534 WeakPolarHBondContact CB-O 3.5Å; F526-I534 PolarHBondContact N-O 3.09Å; F526-I534 VanDerWaalsContact N-O 3.13Å; F526-I534 PolarHBondContact O-N 3.39Å; C528-I534 WeakPolarHBondContact SG-CD1 3.47Å; C528-I534 WeakPolarHBondContact SG-CG1 3.43Å; I534-K536 VanDerWaalsContact C-N 3.35Å; I534-K536 HydrophobicContact CG2-CB 3.73Å; I534-K536 PolarHBondContact O-N 2.66Å; I534-D546 HydrophobicContact CD1-CB 3.56Å; I534-D546 WeakPolarHBondContact CD1-O 3.09Å; I534-D546 HydrophobicContact CG2-CB 4.33Å; I534-C547 HydrophobicContact CD1-CB 4.33Å
535	S	62	Low	68.3	Low	102 Å²	102	59.9 Å²	59.9	71%	0.713	35%	0.346	S	S	*	.			trans	-95.7	61	175.5	63.4	0	0	0	0	110.6	N525	N525-S535 WeakPolarHBondContact OD1-CA 3.3Å; N525-S535 WeakPolarHBondContact OD1-CB 3.32Å
536	K	64.8	Low	68.8	Low	65 Å²	65	58.9 Å²	58.9	28%	0.283	34%	0.341	S	S	.	.			trans	-117.5	145.7	171.7	-179.3	-178.5	163.4	-159.4	0	107.6	I534 P539 D542 D546	I534-K536 VanDerWaalsContact C-N 3.35Å; I534-K536 HydrophobicContact CG2-CB 3.73Å; I534-K536 PolarHBondContact O-N 2.66Å; K536-P539 HydrophobicContact CB-CB 4.33Å; K536-P539 HydrophobicContact CD-CB 4.44Å; K536-P539 WeakPolarHBondContact O-CD 3.46Å; K536-D542 VanDerWaalsContact CE-OD2 3.25Å; K536-D542 WeakPolarHBondContact CE-OD2 3.28Å; K536-D542 IonicContact NZ-OD1 3.8Å; K536-D542 IonicContact NZ-OD2 2.68Å; K536-D542 PolarHBondContact NZ-OD2 3.01Å; K536-D546 VanDerWaalsContact CD-OD1 3.29Å; K536-D546 WeakPolarHBondContact CD-OD1 3.06Å; K536-D546 VanDerWaalsContact CD-OD2 3.23Å; K536-D546 WeakPolarHBondContact CD-OD2 3.39Å; K536-D546 WeakPolarHBondContact CE-OD2 3.17Å; K536-D546 IonicContact NZ-OD1 3.43Å; K536-D546 PolarHBondContact NZ-OD1 3.39Å; K536-D546 IonicContact NZ-OD2 3.81Å; K536-D546 PolarHBondContact NZ-OD2 2.97Å
537	V	66.4	Low	69.2	Low	91 Å²	91	57.5 Å²	57.5	55%	0.552	34%	0.336	S	S	*	.	S	Bend	trans	-73.9	128.3	175.3	179.2	0	0	0	0	108.4	L683	V537-L683 HydrophobicContact CG1-CB 4.46Å; V537-L683 HydrophobicContact CG1-CD1 4.4Å
538	N	73.3	Confident	69.2	Low	14 Å²	14	57.7 Å²	57.7	8%	0.075	35%	0.346	C	S	.	.	S	Bend	trans	51.5	56.8	177.6	-54.9	-18.7	0	0	0	115.3	E540 H682 L683 H758	N538-E540 VanDerWaalsContact C-N 3.34Å; N538-E540 PolarHBondContact O-N 3.17Å; N538-H682 PolarHBondContact ND2-NE2 3.49Å; N538-H682 WeakPolarHBondContact OD1-CA 3.27Å; N538-L683 PolarHBondContact ND2-O 2.87Å; N538-L683 VanDerWaalsContact ND2-O 3.11Å; N538-L683 PolarHBondContact OD1-N 3.3Å; N538-H758 WeakPolarHBondContact CB-NE2 3.36Å
539	P	67	Low	69.5	Low	1 Å²	1	62 Å²	62	1%	0.006	37%	0.369	C	S	.	.			trans	-79.5	-10.5	-177	33	-33.9	0	0	0	114.1	F526 K536 D546 D552	F526-P539 HydrophobicContact CB-CB 4.41Å; F526-P539 HydrophobicContact CB-CG 3.22Å; F526-P539 HydrophobicContact CD1-CG 4.14Å; F526-P539 HydrophobicContact CD2-CG 4.23Å; F526-P539 HydrophobicContact CG-CG 3.62Å; K536-P539 HydrophobicContact CB-CB 4.33Å; K536-P539 HydrophobicContact CD-CB 4.44Å; K536-P539 WeakPolarHBondContact O-CD 3.46Å; P539-D546 WeakPolarHBondContact CA-OD2 3.22Å; P539-D546 HydrophobicContact CB-CB 4.47Å; P539-D546 VanDerWaalsContact CB-OD2 3.22Å; P539-D546 WeakPolarHBondContact CB-OD2 3.39Å; P539-D552 WeakPolarHBondContact O-CB 3.43Å
540	E	76.6	Confident	69.6	Low	38 Å²	38	66.2 Å²	66.2	18%	0.178	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	125.9	-179	-170.4	-179.3	170.4	0	0	111	F526 N538 D542 S679 R791	F526-E540 HydrophobicContact CD2-CB 4.22Å; F526-E540 HydrophobicContact CE2-CB 3.7Å; F526-E540 HydrophobicContact CE2-CG 3.89Å; F526-E540 HydrophobicContact CZ-CB 4.22Å; F526-E540 HydrophobicContact CZ-CG 4.23Å; N538-E540 VanDerWaalsContact C-N 3.34Å; N538-E540 PolarHBondContact O-N 3.17Å; E540-D542 VanDerWaalsContact C-N 3.29Å; E540-D542 PolarHBondContact O-N 3.26Å; E540-S679 WeakPolarHBondContact OE2-CA 3.42Å; E540-S679 WeakPolarHBondContact OE2-CB 3.29Å; E540-R791 IonicContact OE1-NH2 3.33Å
541	C	74.5	Confident	70.2	Confident	12 Å²	12	61.6 Å²	61.6	8%	0.081	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	39.6	179.8	-63.2	0	0	0	0	114.3	D552 E553 C556 P762 F764	C541-D552 PolarHBondContact N-O 3.33Å; C541-E553 WeakPolarHBondContact CA-OE1 3.35Å; C541-E553 PolarHBondContact N-OE1 2.84Å; C541-C556 WeakPolarHBondContact CA-SG 3.48Å; C541-C556 HydrophobicContact CB-CB 3.66Å; C541-C556 WeakPolarHBondContact CB-SG 3.3Å; C541-C556 VanDerWaalsContact SG-CA 3.54Å; C541-C556 WeakPolarHBondContact SG-CB 3.39Å; C541-C556 CovalentContact SG-SG 2.04Å; C541-C556 PolarHBondContact SG-SG 2.83Å; C541-P762 WeakPolarHBondContact O-CG 3.35Å; C541-F764 HydrophobicContact CB-CE1 4.43Å; C541-F764 HydrophobicContact CB-CZ 4.04Å
542	D	69.8	Low	70.6	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.311	C	S	.	.	S	Bend	trans	-96.1	1.8	177	92.8	-23.4	0	0	0	113.6	K536 E540 I544 E553 S760	K536-D542 VanDerWaalsContact CE-OD2 3.25Å; K536-D542 WeakPolarHBondContact CE-OD2 3.28Å; K536-D542 IonicContact NZ-OD1 3.8Å; K536-D542 IonicContact NZ-OD2 2.68Å; K536-D542 PolarHBondContact NZ-OD2 3.01Å; E540-D542 VanDerWaalsContact C-N 3.29Å; E540-D542 PolarHBondContact O-N 3.26Å; D542-I544 PolarHBondContact O-N 3.14Å; D542-I544 WeakPolarHBondContact OD1-CA 3.37Å; D542-I544 VanDerWaalsContact OD1-CB 3.26Å; D542-I544 WeakPolarHBondContact OD1-CB 3.37Å; D542-I544 PolarHBondContact OD1-N 3.47Å; D542-I544 VanDerWaalsContact OD1-O 3.13Å; D542-E553 PolarHBondContact N-OE1 2.03Å; D542-S760 WeakPolarHBondContact CA-OG 3.41Å; D542-S760 WeakPolarHBondContact O-CB 3.43Å; D542-S760 PolarHBondContact O-OG 3.03Å
543	R	71.3	Confident	71.2	Confident	142 Å²	142	54.9 Å²	54.9	54%	0.536	30%	0.302	S	S	.	.	S	Bend	trans	68.6	17	-179.1	-52.6	178.6	175.6	170	-5.5	114	E553	R543-E553 VanDerWaalsContact CA-OE2 3.23Å; R543-E553 WeakPolarHBondContact CA-OE2 3.47Å; R543-E553 PolarHBondContact N-OE1 3.19Å; R543-E553 PolarHBondContact N-OE2 2.79Å
544	I	71.2	Confident	71.3	Confident	82 Å²	82	60.6 Å²	60.6	42%	0.421	32%	0.323	S	S	.	.	S	Bend	trans	-121.4	116	174	-57.1	175.6	0	0	0	106.5	D542 D546 D552	D542-I544 PolarHBondContact O-N 3.14Å; D542-I544 WeakPolarHBondContact OD1-CA 3.37Å; D542-I544 VanDerWaalsContact OD1-CB 3.26Å; D542-I544 WeakPolarHBondContact OD1-CB 3.37Å; D542-I544 PolarHBondContact OD1-N 3.47Å; D542-I544 VanDerWaalsContact OD1-O 3.13Å; I544-D546 PolarHBondContact O-N 3.01Å; I544-D552 VanDerWaalsContact O-OD2 3.12Å
545	P	73.8	Confident	71.3	Confident	81 Å²	81	63.9 Å²	63.9	53%	0.526	34%	0.341	S	S	.	.			trans	-68.9	98	176.3	27.4	-32.1	0	0	0	109.5	E550	P545-E550 HydrophobicContact CB-CG 3.99Å
546	D	73.9	Confident	71.7	Confident	40 Å²	40	60.4 Å²	60.4	21%	0.214	32%	0.316	C	S	.	.			trans	-86	-37.8	175.4	-62	-51.1	0	0	0	110.5	I534 K536 P539 I544 D552	I534-D546 HydrophobicContact CD1-CB 3.56Å; I534-D546 WeakPolarHBondContact CD1-O 3.09Å; I534-D546 HydrophobicContact CG2-CB 4.33Å; K536-D546 VanDerWaalsContact CD-OD1 3.29Å; K536-D546 WeakPolarHBondContact CD-OD1 3.06Å; K536-D546 VanDerWaalsContact CD-OD2 3.23Å; K536-D546 WeakPolarHBondContact CD-OD2 3.39Å; K536-D546 WeakPolarHBondContact CE-OD2 3.17Å; K536-D546 IonicContact NZ-OD1 3.43Å; K536-D546 PolarHBondContact NZ-OD1 3.39Å; K536-D546 IonicContact NZ-OD2 3.81Å; K536-D546 PolarHBondContact NZ-OD2 2.97Å; P539-D546 WeakPolarHBondContact CA-OD2 3.22Å; P539-D546 HydrophobicContact CB-CB 4.47Å; P539-D546 VanDerWaalsContact CB-OD2 3.22Å; P539-D546 WeakPolarHBondContact CB-OD2 3.39Å; I544-D546 PolarHBondContact O-N 3.01Å; D546-D552 WeakPolarHBondContact CA-OD2 3.48Å; D546-D552 WeakPolarHBondContact CB-OD2 3.29Å; D546-D552 PolarHBondContact N-OD2 3.29Å
547	C	73.9	Confident	72.2	Confident	3 Å²	3	64.7 Å²	64.7	2%	0.02	34%	0.342	C	S	.	.	S	Bend	trans	-80.8	137.5	177.3	-63.3	0	0	0	0	111.5	C528 I534 N549 E550 D552	C528-C547 WeakPolarHBondContact CA-SG 3.47Å; C528-C547 HydrophobicContact CB-CB 3.59Å; C528-C547 WeakPolarHBondContact CB-SG 2.97Å; C528-C547 VanDerWaalsContact SG-CA 3.56Å; C528-C547 WeakPolarHBondContact SG-CB 3.03Å; C528-C547 CovalentContact SG-SG 2.03Å; C528-C547 PolarHBondContact SG-SG 3.18Å; I534-C547 HydrophobicContact CD1-CB 4.33Å; C547-N549 WeakPolarHBondContact CB-OD1 3.42Å; C547-N549 PolarHBondContact O-N 2.91Å; C547-E550 PolarHBondContact O-N 2.82Å; C547-D552 HydrophobicContact CB-CB 4.4Å; C547-D552 WeakPolarHBondContact CB-OD1 3.07Å; C547-D552 PolarHBondContact N-OD1 3.28Å; C547-D552 VanDerWaalsContact N-OD1 3.15Å; C547-D552 PolarHBondContact N-OD2 3.22Å
548	P	72.4	Confident	73	Confident	111 Å²	111	61.2 Å²	61.2	72%	0.721	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-17.7	176	-24.8	34.1	0	0	0	115	L532	L532-P548 VanDerWaalsContact CD2-CD 3.42Å; L532-P548 HydrophobicContact CD2-CG 3.58Å
549	N	73.5	Confident	73.3	Confident	95 Å²	95	60.6 Å²	60.6	51%	0.508	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	9.1	176.1	62.9	-10.4	0	0	0	113.1	C528 C547 A551	C528-N549 PolarHBondContact O-ND2 2.88Å; C528-N549 PolarHBondContact O-OD1 2.83Å; C547-N549 WeakPolarHBondContact CB-OD1 3.42Å; C547-N549 PolarHBondContact O-N 2.91Å; N549-A551 PolarHBondContact O-N 3.14Å; N549-A551 WeakPolarHBondContact OD1-CB 3.25Å; N549-A551 PolarHBondContact OD1-N 3.11Å
550	E	71.6	Confident	74	Confident	129 Å²	129	63.6 Å²	63.6	60%	0.603	34%	0.337	S	S	*	.			trans	53.2	24.5	-176.9	-55	178.9	-175.3	0	0	113.1	P545 C547 D552 E553 K554	P545-E550 HydrophobicContact CB-CG 3.99Å; C547-E550 PolarHBondContact O-N 2.82Å; E550-D552 VanDerWaalsContact C-OD1 3.26Å; E550-D552 WeakPolarHBondContact CA-OD1 3.31Å; E550-D552 PolarHBondContact O-N 2.76Å; E550-E553 PolarHBondContact O-N 3.21Å; E550-E553 VanDerWaalsContact O-N 3.16Å; E550-K554 PolarHBondContact O-N 2.84Å
551	A	70.8	Confident	73.8	Confident	38 Å²	38	64 Å²	64	31%	0.314	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-65.7	-27	-177.2	0	0	0	0	0	112.8	N549 E553	N549-A551 PolarHBondContact O-N 3.14Å; N549-A551 WeakPolarHBondContact OD1-CB 3.25Å; N549-A551 PolarHBondContact OD1-N 3.11Å; A551-E553 VanDerWaalsContact C-N 3.31Å
552	D	72.4	Confident	73.2	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.005	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-67.4	-26.3	174.5	55.4	-46.3	0	0	0	114	F526 P539 C541 I544 D546 C547 E550	F526-D552 HydrophobicContact CD1-CB 4.31Å; F526-D552 HydrophobicContact CE1-CB 3.61Å; F526-D552 HydrophobicContact CZ-CB 4.13Å; P539-D552 WeakPolarHBondContact O-CB 3.43Å; C541-D552 PolarHBondContact N-O 3.33Å; I544-D552 VanDerWaalsContact O-OD2 3.12Å; D546-D552 WeakPolarHBondContact CA-OD2 3.48Å; D546-D552 WeakPolarHBondContact CB-OD2 3.29Å; D546-D552 PolarHBondContact N-OD2 3.29Å; C547-D552 HydrophobicContact CB-CB 4.4Å; C547-D552 WeakPolarHBondContact CB-OD1 3.07Å; C547-D552 PolarHBondContact N-OD1 3.28Å; C547-D552 VanDerWaalsContact N-OD1 3.15Å; C547-D552 PolarHBondContact N-OD2 3.22Å; E550-D552 VanDerWaalsContact C-OD1 3.26Å; E550-D552 WeakPolarHBondContact CA-OD1 3.31Å; E550-D552 PolarHBondContact O-N 2.76Å
553	E	79.9	Confident	72	Confident	42 Å²	42	68.9 Å²	68.9	20%	0.196	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-105.4	6.2	-179.1	-68.4	-59	137.1	0	0	113.4	C541 D542 R543 E550 A551 C556	C541-E553 WeakPolarHBondContact CA-OE1 3.35Å; C541-E553 PolarHBondContact N-OE1 2.84Å; D542-E553 PolarHBondContact N-OE1 2.03Å; R543-E553 VanDerWaalsContact CA-OE2 3.23Å; R543-E553 WeakPolarHBondContact CA-OE2 3.47Å; R543-E553 PolarHBondContact N-OE1 3.19Å; R543-E553 PolarHBondContact N-OE2 2.79Å; E550-E553 PolarHBondContact O-N 3.21Å; E550-E553 VanDerWaalsContact O-N 3.16Å; A551-E553 VanDerWaalsContact C-N 3.31Å; E553-C556 PolarHBondContact O-SG 3.05Å; E553-C556 VanDerWaalsContact O-SG 3.38Å
554	K	70.6	Confident	70.8	Confident	156 Å²	156	65.4 Å²	65.4	68%	0.678	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	134.1	178.7	-162.9	176.1	178.7	-176.1	0	110.6	E550	E550-K554 PolarHBondContact O-N 2.84Å
555	N	67.1	Low	69.3	Low	98 Å²	98	63 Å²	63	52%	0.524	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	31.2	-179.8	-60.7	13.2	0	0	0	115.6	D557 F800	N555-D557 VanDerWaalsContact C-N 3.33Å; N555-D557 PolarHBondContact O-N 2.97Å; N555-F800 PolarHBondContact ND2-OXT 3.16Å
556	C	71.2	Confident	67.3	Low	29 Å²	29	64.1 Å²	64.1	20%	0.196	37%	0.367	C	S	.	.			trans	-89.7	25.6	-178.6	-58.3	0	0	0	0	115.4	C541 E553 C558	C541-C556 WeakPolarHBondContact CA-SG 3.48Å; C541-C556 HydrophobicContact CB-CB 3.66Å; C541-C556 WeakPolarHBondContact CB-SG 3.3Å; C541-C556 VanDerWaalsContact SG-CA 3.54Å; C541-C556 WeakPolarHBondContact SG-CB 3.39Å; C541-C556 CovalentContact SG-SG 2.04Å; C541-C556 PolarHBondContact SG-SG 2.83Å; E553-C556 PolarHBondContact O-SG 3.05Å; E553-C556 VanDerWaalsContact O-SG 3.38Å; C556-C558 PolarHBondContact O-N 2.85Å
557	D	74.9	Confident	65.3	Low	155 Å²	155	67.2 Å²	67.2	83%	0.829	38%	0.381	S	S	*	.			trans	-76.2	54.3	175.5	-69	-32.4	0	0	0	112	N555	N555-D557 VanDerWaalsContact C-N 3.33Å; N555-D557 PolarHBondContact O-N 2.97Å
558	C	84.2	Confident	63	Low	18 Å²	18	72.9 Å²	72.9	12%	0.122	40%	0.402	C	S	.	.			trans	-144.5	168.7	-172.4	61	0	0	0	0	111.9	C556 V560 P674 C676	C556-C558 PolarHBondContact O-N 2.85Å; C558-V560 PolarHBondContact O-N 2.95Å; C558-P674 HydrophobicContact CB-CG 4.4Å; C558-C676 HydrophobicContact CB-CB 4.03Å; C558-C676 WeakPolarHBondContact CB-SG 3.41Å; C558-C676 PolarHBondContact O-SG 2.64Å; C558-C676 WeakPolarHBondContact SG-CA 3.48Å; C558-C676 WeakPolarHBondContact SG-CB 3.5Å; C558-C676 CovalentContact SG-SG 2.05Å; C558-C676 PolarHBondContact SG-SG 3.36Å
559	G	79.6	Confident	61	Low	1 Å²	1	70.8 Å²	70.8	1%	0.01	38%	0.384	C	S	.	.			trans	65.4	16.1	169.5	0	0	0	0	0	113.9	R561 P674 C676 W763	G559-R561 PolarHBondContact O-N 3.19Å; G559-P674 PolarHBondContact N-O 2.88Å; G559-C676 PolarHBondContact N-SG 3.4Å; G559-W763 VanDerWaalsContact CA-O 3.3Å; G559-W763 WeakPolarHBondContact CA-O 3.32Å; G559-W763 PolarHBondContact O-N 3.33Å
560	V	81.4	Confident	58.9	Low	65 Å²	65	72 Å²	72	39%	0.394	39%	0.389	S	S	.	.			trans	-83.4	115.2	175.5	-178.3	0	0	0	0	108	C558 Q673	C558-V560 PolarHBondContact O-N 2.95Å; V560-Q673 PolarHBondContact O-OE1 3.38Å
561	R	72.1	Confident	57.4	Low	45 Å²	45	68 Å²	68	17%	0.17	38%	0.382	C	S	.	.			trans	-99.7	112.2	172.5	-176.2	164.5	168.9	-124.3	0.2	108	G559 A563 E579 W582	G559-R561 PolarHBondContact O-N 3.19Å; R561-A563 PolarHBondContact O-N 3.46Å; R561-E579 WeakPolarHBondContact CD-O 3.11Å; R561-E579 WeakPolarHBondContact CG-O 3.26Å; R561-E579 IonicContact CZ-OE1 3.54Å; R561-E579 PolarHBondContact NE-O 3.03Å; R561-E579 IonicContact NH2-OE1 2.79Å; R561-E579 PolarHBondContact NH2-OE1 3.4Å; R561-W582 HydrophobicContact CB-CH2 4Å; R561-W582 HydrophobicContact CB-CZ3 4.37Å
562	P	61.2	Low	56.4	Low	29 Å²	29	67.2 Å²	67.2	19%	0.188	38%	0.378	C	S	.	.			trans	-52.2	127.8	172.8	-22.6	30.7	0	0	0	108.9	L564 Y670	P562-L564 PolarHBondContact O-N 3.43Å; P562-Y670 WeakPolarHBondContact CG-O 3.23Å
563	A	45.3	Very low	56	Low	86 Å²	86	69.4 Å²	69.4	71%	0.711	39%	0.391	S	S	*	.			trans	-72.5	63.5	-173	0	0	0	0	0	112	R561 G565	R561-A563 PolarHBondContact O-N 3.46Å; A563-G565 PolarHBondContact O-N 2.83Å
564	L	46	Very low	55.3	Low	70 Å²	70	70.7 Å²	70.7	37%	0.366	40%	0.402	S	S	.	.			trans	-84.7	86.4	173.4	-69.1	172.8	0	0	0	109	P562 R577	P562-L564 PolarHBondContact O-N 3.43Å; L564-R577 WeakPolarHBondContact CD1-O 3.37Å
565	G	40	Very low	55	Low	30 Å²	30	63.5 Å²	63.5	31%	0.309	37%	0.371	S	S	.	.			trans	41.8	100.8	161.9	0	0	0	0	0	117	A563 Q567	A563-G565 PolarHBondContact O-N 2.83Å; G565-Q567 PolarHBondContact O-N 2.68Å; G565-Q567 VanDerWaalsContact O-N 3.07Å
566	V	32.5	Very low	55.1	Low	105 Å²	105	63.7 Å²	63.7	64%	0.636	37%	0.365	S	S	*	.			trans	-66.4	105.2	174.5	-174.6	0	0	0	0	110.5
567	Q	30.9	Very low	55	Low	106 Å²	106	67.9 Å²	67.9	50%	0.495	38%	0.376	S	S	.	.			trans	-111.8	121	158	-76.3	-173.9	-18	0	0	108.5	G565	G565-Q567 PolarHBondContact O-N 2.68Å; G565-Q567 VanDerWaalsContact O-N 3.07Å
568	R	25.3	Very low	54.9	Low	121 Å²	121	60.8 Å²	60.8	46%	0.457	34%	0.34	S	S	.	.			trans	-122.4	87.5	-178	-173.9	-180	80.4	108.9	-1.9	109.3	S250	S250-R568 VanDerWaalsContact CB-N 3.35Å; S250-R568 VanDerWaalsContact CB-O 3.25Å; S250-R568 WeakPolarHBondContact CB-O 3.23Å; S250-R568 PolarHBondContact N-O 3.26Å; S250-R568 WeakPolarHBondContact OG-CA 3.44Å; S250-R568 PolarHBondContact OG-N 2.55Å; S250-R568 PolarHBondContact OG-O 3.3Å
569	I	30.9	Very low	54.7	Low	68 Å²	68	59.9 Å²	59.9	35%	0.349	33%	0.334	S	S	.	.			trans	-120.7	148.9	164.2	-57.9	-154.7	0	0	0	108.8	S250 I252 V573	S250-I569 WeakPolarHBondContact O-CD1 3.39Å; S250-I569 WeakPolarHBondContact OG-CG1 3.18Å; S250-I569 PolarHBondContact OG-N 2.89Å; I252-I569 HydrophobicContact CG1-CD1 3.92Å; I569-V573 WeakPolarHBondContact O-CG1 3.45Å
570	I	28.8	Very low	55.1	Low	121 Å²	121	60.1 Å²	60.1	62%	0.621	34%	0.335	S	S	*	.	S	Bend	trans	-82.5	131.9	-162.3	-64.9	178.4	0	0	0	110.4	R743	I570-R743 VanDerWaalsContact CD1-NH2 3.26Å
571	G	39.8	Very low	55.5	Low	44 Å²	44	57.1 Å²	57.1	45%	0.454	32%	0.317	S	S	.	.	S	Bend	trans	119.1	26.7	173.7	0	0	0	0	0	117.4
572	G	51.2	Low	56.6	Low	22 Å²	22	55 Å²	55	23%	0.227	31%	0.308	C	S	.	.			trans	73.6	107.8	-174.4	0	0	0	0	0	111	M698 K710	G572-M698 WeakPolarHBondContact O-CE 3.31Å; G572-K710 WeakPolarHBondContact CA-O 3.19Å
573	V	64	Low	58.1	Low	46 Å²	46	54 Å²	54	28%	0.279	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	148.7	-179.5	-73.5	0	0	0	0	110.8	I569 A575 Q709 K710	I569-V573 WeakPolarHBondContact O-CG1 3.45Å; V573-A575 PolarHBondContact O-N 3.4Å; V573-Q709 CarbonylContact O-C 3.58Å; V573-Q709 VanDerWaalsContact O-CA 3.31Å; V573-Q709 WeakPolarHBondContact O-CA 3.11Å; V573-Q709 PolarHBondContact O-OE1 3.38Å; V573-K710 HydrophobicContact CG2-CD 4.19Å; V573-K710 HydrophobicContact CG2-CG 3.64Å; V573-K710 PolarHBondContact N-O 3.24Å; V573-K710 WeakPolarHBondContact O-CG 3.46Å; V573-K710 PolarHBondContact O-N 3.49Å
574	T	63.8	Low	60.4	Low	70 Å²	70	49.9 Å²	49.9	43%	0.429	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	126.6	179.4	-63.2	0	0	0	0	110.7	L707 L708 Q709	T574-L707 HydrophobicContact CG2-CB 3.71Å; T574-L707 HydrophobicContact CG2-CD1 4.14Å; T574-L707 HydrophobicContact CG2-CD2 4.42Å; T574-L707 HydrophobicContact CG2-CG 4.31Å; T574-L708 CarbonylContact C-O 3.55Å; T574-L708 VanDerWaalsContact CA-O 3.3Å; T574-L708 WeakPolarHBondContact CA-O 3.4Å; T574-Q709 PolarHBondContact OG1-NE2 3.38Å; T574-Q709 PolarHBondContact OG1-OE1 3.07Å
575	A	64.2	Low	62.6	Low	4 Å²	4	46.5 Å²	46.5	3%	0.033	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-75.7	143.9	176.5	0	0	0	0	0	111.4	V573 L708 K710	V573-A575 PolarHBondContact O-N 3.4Å; A575-L708 HydrophobicContact CB-CB 4.1Å; A575-L708 HydrophobicContact CB-CD2 3.6Å; A575-L708 HydrophobicContact CB-CG 3.71Å; A575-L708 PolarHBondContact N-O 3Å; A575-K710 HydrophobicContact CB-CD 4.39Å
576	R	69.1	Low	65.1	Low	103 Å²	103	45.1 Å²	45.1	39%	0.389	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-81.7	158.5	175.9	-61.2	177.1	-178.6	-179.2	0.4	111.2	G578 E579 V627	R576-G578 PolarHBondContact O-N 3.25Å; R576-E579 HydrophobicContact CB-CB 4.07Å; R576-E579 HydrophobicContact CB-CG 4.5Å; R576-E579 PolarHBondContact N-OE2 3.08Å; R576-E579 WeakPolarHBondContact O-CB 3.45Å; R576-E579 PolarHBondContact O-N 2.8Å; R576-V627 WeakPolarHBondContact O-CG1 3.07Å
577	R	70.1	Confident	67.8	Low	116 Å²	116	40.8 Å²	40.8	44%	0.438	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	125.2	176.6	-166.5	-179.1	-166.6	-170.1	4.4	110.3	L564 E579 G625 V627 G633 T671	L564-R577 WeakPolarHBondContact CD1-O 3.37Å; R577-E579 VanDerWaalsContact C-N 3.27Å; R577-G625 PolarHBondContact NE-O 3.16Å; R577-V627 HydrophobicContact CB-CG1 4.23Å; R577-G633 PolarHBondContact NH2-O 3.41Å; R577-T671 HydrophobicContact CG-CG2 3.95Å
578	G	71.7	Confident	70.6	Confident	6 Å²	6	38.5 Å²	38.5	6%	0.062	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	4.4	-175.6	0	0	0	0	0	114.7	R576	R576-G578 PolarHBondContact O-N 3.25Å
579	E	80.3	Confident	73.4	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-75.4	-28.8	179.2	-155.7	-159.4	129.2	0	0	113.2	R561 R576 R577 K710	R561-E579 WeakPolarHBondContact CD-O 3.11Å; R561-E579 WeakPolarHBondContact CG-O 3.26Å; R561-E579 IonicContact CZ-OE1 3.54Å; R561-E579 PolarHBondContact NE-O 3.03Å; R561-E579 IonicContact NH2-OE1 2.79Å; R561-E579 PolarHBondContact NH2-OE1 3.4Å; R576-E579 HydrophobicContact CB-CB 4.07Å; R576-E579 HydrophobicContact CB-CG 4.5Å; R576-E579 PolarHBondContact N-OE2 3.08Å; R576-E579 WeakPolarHBondContact O-CB 3.45Å; R576-E579 PolarHBondContact O-N 2.8Å; R577-E579 VanDerWaalsContact C-N 3.27Å; E579-K710 WeakPolarHBondContact OE1-CD 3.45Å; E579-K710 WeakPolarHBondContact OE1-CE 3.28Å; E579-K710 IonicContact OE1-NZ 3.91Å; E579-K710 PolarHBondContact OE1-NZ 2.75Å; E579-K710 IonicContact OE2-NZ 3.26Å; E579-K710 PolarHBondContact OE2-NZ 2.67Å
580	W	89.2	Confident	75.8	Confident	6 Å²	6	44 Å²	44	2%	0.023	22%	0.222	C	C	.	.	S	Bend	trans	-133.5	76.4	175.7	-61.8	97.7	0	0	0	107.6	W582 I583 Y691 T693 K710 T755 W763	W580-W582 AromaticContact CE3-CE2 3.81Å; W580-W582 HydrophobicContact CE3-CH2 4.31Å; W580-W582 AromaticContact CE3-CZ2 3.39Å; W580-W582 HydrophobicContact CE3-CZ2 3.39Å; W580-W582 AromaticContact CE3-NE1 3.87Å; W580-W582 HydrophobicContact CZ3-CH2 4.49Å; W580-W582 AromaticContact CZ3-CZ2 3.66Å; W580-W582 HydrophobicContact CZ3-CZ2 3.66Å; W580-W582 PolarHBondContact O-N 2.56Å; W580-W582 VanDerWaalsContact O-N 3.14Å; W580-I583 HydrophobicContact CB-CB 4.48Å; W580-I583 HydrophobicContact CB-CG2 4.12Å; W580-I583 WeakPolarHBondContact O-CG2 3.48Å; W580-I583 PolarHBondContact O-N 3.21Å; W580-Y691 VanDerWaalsContact CH2-CB 3.42Å; W580-Y691 HydrophobicContact CH2-CD1 4.18Å; W580-Y691 AromaticContact CH2-CD2 3.74Å; W580-Y691 HydrophobicContact CH2-CD2 3.74Å; W580-Y691 AromaticContact CH2-CG 3.52Å; W580-Y691 HydrophobicContact CH2-CG 3.52Å; W580-Y691 AromaticContact CZ2-CD1 3.8Å; W580-Y691 HydrophobicContact CZ2-CD1 3.8Å; W580-Y691 HydrophobicContact CZ2-CD2 4.13Å; W580-Y691 HydrophobicContact CZ2-CE1 4.42Å; W580-Y691 AromaticContact CZ2-CG 3.63Å; W580-Y691 HydrophobicContact CZ2-CG 3.63Å; W580-T693 HydrophobicContact CB-CG2 4.26Å; W580-T693 HydrophobicContact CD2-CG2 3.59Å; W580-T693 HydrophobicContact CE3-CG2 4.2Å; W580-T693 HydrophobicContact CG-CG2 3.56Å; W580-T693 HydrophobicContact CZ2-CG2 4.46Å; W580-K710 HydrophobicContact CZ2-CD 4.43Å; W580-T755 WeakPolarHBondContact CZ3-OG1 3.42Å; W580-W763 HydrophobicContact CH2-CE3 4.15Å; W580-W763 AromaticContact CH2-CH2 3.67Å; W580-W763 HydrophobicContact CH2-CH2 3.67Å; W580-W763 HydrophobicContact CH2-CZ2 4.17Å; W580-W763 AromaticContact CH2-CZ3 3.65Å; W580-W763 HydrophobicContact CH2-CZ3 3.65Å; W580-W763 HydrophobicContact CZ3-CD2 4.21Å; W580-W763 AromaticContact CZ3-CE3 3.82Å; W580-W763 HydrophobicContact CZ3-CE3 3.82Å; W580-W763 HydrophobicContact CZ3-CH2 4.17Å; W580-W763 AromaticContact CZ3-CZ3 3.8Å; W580-W763 HydrophobicContact CZ3-CZ3 3.8Å
581	P	90.3	Very high	78.4	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.013	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-12.5	-165.5	29.3	-37	0	0	0	114.2	T671 I672 Q673	P581-T671 WeakPolarHBondContact CA-O 3.35Å; P581-I672 WeakPolarHBondContact O-CA 3.32Å; P581-Q673 CarbonylContact C-O 3.4Å; P581-Q673 HydrophobicContact CB-CB 3.94Å; P581-Q673 HydrophobicContact CB-CG 4.08Å; P581-Q673 HydrophobicContact CG-CB 3.91Å; P581-Q673 HydrophobicContact CG-CG 4.27Å; P581-Q673 PolarHBondContact O-N 3.31Å
582	W	94.1	Very high	80.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-12.3	176.5	45.5	80.8	0	0	0	114.1	R561 W580 T597 L598 Q673 V675 T755 W763	R561-W582 HydrophobicContact CB-CH2 4Å; R561-W582 HydrophobicContact CB-CZ3 4.37Å; W580-W582 AromaticContact CE3-CE2 3.81Å; W580-W582 HydrophobicContact CE3-CH2 4.31Å; W580-W582 AromaticContact CE3-CZ2 3.39Å; W580-W582 HydrophobicContact CE3-CZ2 3.39Å; W580-W582 AromaticContact CE3-NE1 3.87Å; W580-W582 HydrophobicContact CZ3-CH2 4.49Å; W580-W582 AromaticContact CZ3-CZ2 3.66Å; W580-W582 HydrophobicContact CZ3-CZ2 3.66Å; W580-W582 PolarHBondContact O-N 2.56Å; W580-W582 VanDerWaalsContact O-N 3.14Å; W582-T597 HydrophobicContact CB-CG2 4.11Å; W582-T597 HydrophobicContact CG-CG2 4.29Å; W582-T597 CarbonylContact O-C 3.51Å; W582-T597 WeakPolarHBondContact O-CA 3.31Å; W582-L598 HydrophobicContact CB-CB 4.33Å; W582-L598 PolarHBondContact O-N 3.38Å; W582-Q673 WeakPolarHBondContact CA-O 3.35Å; W582-Q673 VanDerWaalsContact CB-O 3.26Å; W582-Q673 WeakPolarHBondContact CB-O 3.23Å; W582-Q673 PolarHBondContact N-O 3.44Å; W582-V675 HydrophobicContact CB-CB 4Å; W582-V675 HydrophobicContact CD2-CB 3.78Å; W582-V675 HydrophobicContact CD2-CG2 4.11Å; W582-V675 HydrophobicContact CE3-CB 4.1Å; W582-V675 HydrophobicContact CE3-CG2 4.42Å; W582-V675 HydrophobicContact CG-CB 3.75Å; W582-V675 HydrophobicContact CG-CG2 4.43Å; W582-V675 HydrophobicContact CZ2-CG2 4.37Å; W582-T755 HydrophobicContact CZ2-CG2 4.17Å; W582-W763 HydrophobicContact CH2-CB 3.49Å; W582-W763 VanDerWaalsContact CH2-CB 3.49Å; W582-W763 AromaticContact CH2-CD1 3.96Å; W582-W763 HydrophobicContact CH2-CD2 4.29Å; W582-W763 AromaticContact CH2-CG 3.61Å; W582-W763 HydrophobicContact CH2-CG 3.61Å; W582-W763 HydrophobicContact CZ2-CB 3.86Å; W582-W763 HydrophobicContact CZ2-CD2 4.39Å; W582-W763 HydrophobicContact CZ2-CG 4.06Å; W582-W763 HydrophobicContact CZ3-CB 4.33Å
583	I	93.8	Very high	82.4	Confident	7 Å²	7	49.6 Å²	49.6	4%	0.036	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	134.6	-178.3	-167.6	60.6	0	0	0	111.3	W580 W695 L708 P753	W580-I583 HydrophobicContact CB-CB 4.48Å; W580-I583 HydrophobicContact CB-CG2 4.12Å; W580-I583 WeakPolarHBondContact O-CG2 3.48Å; W580-I583 PolarHBondContact O-N 3.21Å; I583-W695 HydrophobicContact CD1-CZ3 4.48Å; I583-W695 HydrophobicContact CG1-CH2 3.94Å; I583-W695 HydrophobicContact CG1-CZ3 3.79Å; I583-W695 HydrophobicContact CG2-CH2 4.29Å; I583-L708 HydrophobicContact CG1-CD1 3.95Å; I583-L708 HydrophobicContact CG2-CD1 4.32Å; I583-L708 HydrophobicContact CG2-CD2 3.54Å; I583-P753 HydrophobicContact CD1-CG 3.85Å
584	G	92.5	Very high	83.7	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	150.2	175.6	0	0	0	0	0	112.1	T596 W695	G584-T596 PolarHBondContact N-O 2.85Å; G584-T596 PolarHBondContact O-N 3.22Å; G584-W695 WeakPolarHBondContact O-CZ3 3.38Å
585	S	92.6	Very high	85.1	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	111.4	170.5	171.4	0	0	0	0	108.4	H592 S623	S585-H592 PolarHBondContact OG-ND1 3.19Å; S585-S623 PolarHBondContact N-O 2.8Å; S585-S623 PolarHBondContact O-N 3.14Å
586	L	92	Very high	86.5	Confident	0 Å²	0	44 Å²	44	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	118.9	175.3	-170.9	70.2	0	0	0	108.8	R593 C594 T596 T606 F611 W620 I639	L586-R593 PolarHBondContact O-N 3.26Å; L586-C594 WeakPolarHBondContact CA-O 3.35Å; L586-C594 HydrophobicContact CB-CB 4.36Å; L586-C594 VanDerWaalsContact CB-O 3.28Å; L586-C594 WeakPolarHBondContact CB-O 3.38Å; L586-C594 HydrophobicContact CD2-CB 4.29Å; L586-C594 PolarHBondContact N-O 2.84Å; L586-C594 PolarHBondContact O-N 2.92Å; L586-T596 HydrophobicContact CB-CG2 4.29Å; L586-T606 HydrophobicContact CD2-CG2 4.35Å; L586-F611 HydrophobicContact CD2-CE1 3.9Å; L586-F611 HydrophobicContact CD2-CE2 4.42Å; L586-F611 HydrophobicContact CD2-CZ 3.57Å; L586-W620 HydrophobicContact CD1-CE3 4.06Å; L586-W620 HydrophobicContact CD1-CZ3 4.47Å; L586-W620 HydrophobicContact CD2-CE3 3.88Å; L586-W620 HydrophobicContact CD2-CH2 4.33Å; L586-W620 HydrophobicContact CD2-CZ3 3.5Å; L586-W620 VanDerWaalsContact CD2-CZ3 3.5Å; L586-W620 HydrophobicContact CG-CE3 3.64Å; L586-W620 HydrophobicContact CG-CZ3 3.59Å; L586-I639 HydrophobicContact CD1-CD1 3.4Å
587	Q	89.9	Confident	87.8	Confident	14 Å²	14	39.1 Å²	39.1	7%	0.065	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128.3	-172.4	-62.2	-179.9	-9.8	0	0	110.9	Q591 W620 A621	Q587-Q591 CarbonylContact C-O 3.49Å; Q587-Q591 WeakPolarHBondContact CA-O 3.42Å; Q587-W620 WeakPolarHBondContact O-CA 3.43Å; Q587-A621 PolarHBondContact N-O 2.55Å; Q587-A621 PolarHBondContact O-N 2.84Å
588	Y	88.4	Confident	89	Confident	58 Å²	58	33.8 Å²	33.8	23%	0.227	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	126	168.5	-180	-107.2	0	0	0	107.8	K590 Q591 D614 E619 W620	Y588-K590 PolarHBondContact O-N 3.46Å; Y588-K590 VanDerWaalsContact O-N 3.16Å; Y588-Q591 PolarHBondContact N-O 2.8Å; Y588-Q591 PolarHBondContact O-N 3.32Å; Y588-D614 HydrophobicContact CE2-CB 4.05Å; Y588-D614 PolarHBondContact OH-OD2 2.94Å; Y588-E619 HydrophobicContact CD2-CB 3.95Å; Y588-E619 HydrophobicContact CE2-CB 3.61Å; Y588-E619 HydrophobicContact CE2-CG 4.47Å; Y588-E619 WeakPolarHBondContact CE2-OE2 3.07Å; Y588-E619 PolarHBondContact OH-OE2 3.41Å; Y588-W620 AromaticContact CD2-CD1 3.99Å; Y588-W620 AromaticContact CD2-CD2 3.89Å; Y588-W620 HydrophobicContact CD2-CD2 3.89Å; Y588-W620 AromaticContact CD2-CE2 3.53Å; Y588-W620 HydrophobicContact CD2-CG 4.19Å; Y588-W620 AromaticContact CD2-CZ2 3.93Å; Y588-W620 HydrophobicContact CD2-CZ2 3.93Å; Y588-W620 AromaticContact CD2-NE1 3.58Å; Y588-W620 AromaticContact CE2-NE1 3.94Å; Y588-W620 HydrophobicContact CG-CZ2 4.29Å
589	Q	85.3	Confident	90.1	Very high	114 Å²	114	33.9 Å²	33.9	53%	0.533	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	40.4	-176.6	-59.3	-178.6	-11.6	0	0	113.3	Q591 E619	Q589-Q591 PolarHBondContact O-N 3.01Å; Q589-E619 HydrophobicContact CG-CB 4.4Å; Q589-E619 WeakPolarHBondContact CG-OE2 3.25Å; Q589-E619 PolarHBondContact N-O 3.13Å; Q589-E619 PolarHBondContact NE2-OE2 2.86Å
590	K	80.4	Confident	90.6	Very high	192 Å²	192	37.4 Å²	37.4	84%	0.835	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.1	10.4	-176.9	-50.3	176.8	-179.2	176.6	0	115.2	Y588	Y588-K590 PolarHBondContact O-N 3.46Å; Y588-K590 VanDerWaalsContact O-N 3.16Å
591	Q	83.7	Confident	90.6	Very high	149 Å²	149	40.2 Å²	40.2	70%	0.696	18%	0.18	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107	134.1	173.1	-62.6	-168.1	7.9	0	0	110.4	Q587 Y588 Q589 R593	Q587-Q591 CarbonylContact C-O 3.49Å; Q587-Q591 WeakPolarHBondContact CA-O 3.42Å; Y588-Q591 PolarHBondContact N-O 2.8Å; Y588-Q591 PolarHBondContact O-N 3.32Å; Q589-Q591 PolarHBondContact O-N 3.01Å; Q591-R593 PolarHBondContact O-N 3.27Å
592	H	87.3	Confident	90.6	Very high	18 Å²	18	43.2 Å²	43.2	8%	0.083	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	125.2	175.3	176.1	75.4	0	0	0	110.7	S585 C594 R629 W695 G748	S585-H592 PolarHBondContact OG-ND1 3.19Å; H592-C594 VanDerWaalsContact CE1-C 3.42Å; H592-C594 PolarHBondContact CE1-O 2.91Å; H592-C594 PolarHBondContact ND1-O 2.84Å; H592-R629 HydrophobicContact CB-CG 3.59Å; H592-W695 AromaticContact CE1-CE3 3.85Å; H592-G748 PolarHBondContact NE2-O 3.26Å
593	R	88.8	Confident	90.6	Very high	136 Å²	136	44.3 Å²	44.3	51%	0.513	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	-46.3	-179.8	-173.2	59.5	168.4	-166.4	-2.1	112	L586 Q591 W620	L586-R593 PolarHBondContact O-N 3.26Å; Q591-R593 PolarHBondContact O-N 3.27Å; R593-W620 HydrophobicContact CB-CH2 4.19Å; R593-W620 HydrophobicContact CB-CZ3 3.98Å; R593-W620 HydrophobicContact CG-CH2 3.82Å; R593-W620 HydrophobicContact CG-CZ3 4.13Å
594	C	91.3	Very high	90.7	Very high	4 Å²	4	44 Å²	44	3%	0.027	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	161.6	-177.1	-77.4	0	0	0	0	111.4	L586 H592 C610 S750	L586-C594 WeakPolarHBondContact CA-O 3.35Å; L586-C594 HydrophobicContact CB-CB 4.36Å; L586-C594 VanDerWaalsContact CB-O 3.28Å; L586-C594 WeakPolarHBondContact CB-O 3.38Å; L586-C594 HydrophobicContact CD2-CB 4.29Å; L586-C594 PolarHBondContact N-O 2.84Å; L586-C594 PolarHBondContact O-N 2.92Å; H592-C594 VanDerWaalsContact CE1-C 3.42Å; H592-C594 PolarHBondContact CE1-O 2.91Å; H592-C594 PolarHBondContact ND1-O 2.84Å; C594-C610 HydrophobicContact CB-CB 3.89Å; C594-C610 WeakPolarHBondContact CB-SG 3.41Å; C594-C610 WeakPolarHBondContact SG-CB 3.44Å; C594-C610 CovalentContact SG-SG 2.03Å; C594-C610 PolarHBondContact SG-SG 3.42Å; C594-S750 CarbonylContact C-O 3.5Å; C594-S750 WeakPolarHBondContact CA-O 3.29Å; C594-S750 WeakPolarHBondContact CB-O 3.14Å
595	G	92.1	Very high	90.9	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	161.2	161	0	0	0	0	0	111.6	T606 S750 G751	G595-T606 PolarHBondContact O-OG1 2.93Å; G595-S750 PolarHBondContact N-O 3.45Å; G595-G751 CarbonylContact C-O 3.53Å; G595-G751 CarbonylContact O-C 3.48Å; G595-G751 WeakPolarHBondContact O-CA 3.47Å
596	T	94.6	Very high	91	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	158.6	171.4	-172.9	0	0	0	0	110.2	G584 L586 L604 L605 V622	G584-T596 PolarHBondContact N-O 2.85Å; G584-T596 PolarHBondContact O-N 3.22Å; L586-T596 HydrophobicContact CB-CG2 4.29Å; T596-L604 HydrophobicContact CG2-CD1 3.95Å; T596-L604 HydrophobicContact CG2-CD2 4.45Å; T596-L604 VanDerWaalsContact OG1-CB 3.28Å; T596-L604 WeakPolarHBondContact OG1-CB 3.46Å; T596-L605 CarbonylContact C-O 3.5Å; T596-L605 WeakPolarHBondContact CA-O 3.29Å; T596-L605 PolarHBondContact OG1-O 3.05Å; T596-V622 HydrophobicContact CG2-CG2 3.58Å
597	T	96.4	Very high	91.2	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128	-176.3	-47.4	0	0	0	0	111.4	W582 I599 L604 L605 V675 P753 I765	W582-T597 HydrophobicContact CB-CG2 4.11Å; W582-T597 HydrophobicContact CG-CG2 4.29Å; W582-T597 CarbonylContact O-C 3.51Å; W582-T597 WeakPolarHBondContact O-CA 3.31Å; T597-I599 PolarHBondContact O-N 3.48Å; T597-L604 CarbonylContact O-C 3.46Å; T597-L604 WeakPolarHBondContact O-CA 3.41Å; T597-L605 PolarHBondContact N-O 2.96Å; T597-L605 PolarHBondContact O-N 3.01Å; T597-V675 HydrophobicContact CG2-CB 4.39Å; T597-V675 HydrophobicContact CG2-CG1 3.52Å; T597-P753 HydrophobicContact CG2-CB 3.94Å; T597-P753 HydrophobicContact CG2-CG 4.13Å; T597-P753 WeakPolarHBondContact OG1-CB 3.46Å; T597-P753 VanDerWaalsContact OG1-CD 3.31Å; T597-P753 WeakPolarHBondContact OG1-CD 3.44Å; T597-P753 VanDerWaalsContact OG1-CG 3.31Å; T597-P753 WeakPolarHBondContact OG1-CG 3.21Å; T597-I765 HydrophobicContact CG2-CD1 4.05Å
598	L	95.1	Very high	91.3	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.016	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	114.3	172.4	-167.9	69.9	0	0	0	109.8	W582 H600 L604 L624 L662 A666 I672 P674 V675	W582-L598 HydrophobicContact CB-CB 4.33Å; W582-L598 PolarHBondContact O-N 3.38Å; L598-H600 WeakPolarHBondContact CD1-O 3.43Å; L598-L604 HydrophobicContact CB-CD2 4.07Å; L598-L604 HydrophobicContact CD1-CD2 3.54Å; L598-L604 HydrophobicContact CG-CD2 4.43Å; L598-L624 HydrophobicContact CD1-CD1 4.38Å; L598-L662 HydrophobicContact CD1-CD1 4.38Å; L598-A666 HydrophobicContact CD1-CB 4.4Å; L598-A666 HydrophobicContact CD2-CB 4.46Å; L598-I672 HydrophobicContact CD2-CG2 3.75Å; L598-P674 HydrophobicContact CG-CB 4.45Å; L598-P674 CarbonylContact O-C 3.56Å; L598-P674 VanDerWaalsContact O-CA 3.24Å; L598-P674 WeakPolarHBondContact O-CA 3.27Å; L598-V675 PolarHBondContact O-N 3.3Å
599	I	93.3	Very high	91.5	Very high	8 Å²	8	42.5 Å²	42.5	4%	0.041	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	-18	179	59.1	168.5	0	0	0	112.1	T597 W603 L605 L659 V675 L677 I794 L798	T597-I599 PolarHBondContact O-N 3.48Å; I599-W603 HydrophobicContact CD1-CB 4.36Å; I599-W603 HydrophobicContact CG1-CB 4.09Å; I599-W603 VanDerWaalsContact CG1-O 3.32Å; I599-W603 WeakPolarHBondContact CG1-O 3.25Å; I599-W603 PolarHBondContact N-O 3.07Å; I599-W603 VanDerWaalsContact N-O 3.11Å; I599-L605 HydrophobicContact CD1-CB 4.28Å; I599-L605 HydrophobicContact CG2-CB 3.86Å; I599-L659 HydrophobicContact CD1-CD2 3.66Å; I599-V675 HydrophobicContact CG2-CG1 4.19Å; I599-L677 HydrophobicContact CB-CD1 4.3Å; I599-L677 HydrophobicContact CB-CD2 4.29Å; I599-L677 HydrophobicContact CB-CG 4.26Å; I599-L677 HydrophobicContact CD1-CD1 4.32Å; I599-L677 HydrophobicContact CG2-CD2 4.01Å; I599-L677 HydrophobicContact CG2-CG 4.44Å; I599-I794 HydrophobicContact CD1-CG2 4.24Å; I599-L798 HydrophobicContact CD1-CD1 4.18Å
600	H	90.7	Very high	91.7	Very high	74 Å²	74	37.2 Å²	37.2	34%	0.343	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	163.8	175	-174.4	-98.5	0	0	0	108.7	L598 K602 W603 L798	L598-H600 WeakPolarHBondContact CD1-O 3.43Å; H600-K602 PolarHBondContact O-N 3Å; H600-W603 HydrophobicContact CB-CB 4.09Å; H600-W603 PolarHBondContact N-O 3.26Å; H600-W603 AromaticContact ND1-CD1 3.85Å; H600-W603 PolarHBondContact O-N 3.24Å; H600-W603 VanDerWaalsContact O-N 3.15Å; H600-W603 VanDerWaalsContact O-O 3.13Å; H600-L798 HydrophobicContact CB-CD2 3.56Å
601	N	89.1	Confident	92.2	Very high	66 Å²	66	28.4 Å²	28.4	35%	0.353	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-17.9	-177.8	68.6	13.9	0	0	0	114.8	P665 A666	N601-P665 CarbonylContact O-C 3.58Å; N601-P665 WeakPolarHBondContact O-CA 3.22Å; N601-A666 WeakPolarHBondContact O-CB 3.31Å; N601-A666 PolarHBondContact O-N 3.23Å
602	K	92	Very high	91.7	Very high	65 Å²	65	26.3 Å²	26.3	28%	0.283	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-5.9	-179.5	-100.7	-166.8	165.3	-157.7	0	114.3	H600 L662 P665	H600-K602 PolarHBondContact O-N 3Å; K602-L662 PolarHBondContact O-N 2.97Å; K602-P665 HydrophobicContact CD-CG 4.15Å; K602-P665 HydrophobicContact CG-CB 3.95Å; K602-P665 HydrophobicContact CG-CG 3.87Å
603	W	93.6	Very high	90.7	Very high	22 Å²	22	29.7 Å²	29.7	8%	0.083	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	133.7	-168.9	-65.8	93.9	0	0	0	111.3	I599 H600 I643 L659 V660 E661 H797 L798	I599-W603 HydrophobicContact CD1-CB 4.36Å; I599-W603 HydrophobicContact CG1-CB 4.09Å; I599-W603 VanDerWaalsContact CG1-O 3.32Å; I599-W603 WeakPolarHBondContact CG1-O 3.25Å; I599-W603 PolarHBondContact N-O 3.07Å; I599-W603 VanDerWaalsContact N-O 3.11Å; H600-W603 HydrophobicContact CB-CB 4.09Å; H600-W603 PolarHBondContact N-O 3.26Å; H600-W603 AromaticContact ND1-CD1 3.85Å; H600-W603 PolarHBondContact O-N 3.24Å; H600-W603 VanDerWaalsContact O-N 3.15Å; H600-W603 VanDerWaalsContact O-O 3.13Å; W603-I643 HydrophobicContact CH2-CD1 4.03Å; W603-I643 HydrophobicContact CZ3-CD1 3.9Å; W603-L659 HydrophobicContact CE3-CB 4.17Å; W603-L659 HydrophobicContact CZ3-CB 4.12Å; W603-V660 WeakPolarHBondContact CA-O 3.35Å; W603-E661 HydrophobicContact CE3-CB 4.16Å; W603-E661 HydrophobicContact CH2-CB 4.23Å; W603-E661 HydrophobicContact CH2-CG 4.36Å; W603-E661 HydrophobicContact CZ2-CG 4.31Å; W603-E661 HydrophobicContact CZ3-CB 3.97Å; W603-H797 HydrophobicContact CH2-CB 4.15Å; W603-H797 HydrophobicContact CZ3-CB 4.48Å; W603-L798 HydrophobicContact CB-CD1 4.33Å; W603-L798 HydrophobicContact CB-CD2 3.83Å; W603-L798 HydrophobicContact CB-CG 4.4Å; W603-L798 VanDerWaalsContact CD1-CD2 3.43Å; W603-L798 HydrophobicContact CD2-CD1 4.12Å; W603-L798 HydrophobicContact CD2-CD2 4.41Å; W603-L798 HydrophobicContact CD2-CG 4.13Å; W603-L798 HydrophobicContact CE3-CD1 4.44Å; W603-L798 HydrophobicContact CG-CD1 4.08Å; W603-L798 HydrophobicContact CG-CD2 3.64Å; W603-L798 HydrophobicContact CG-CG 3.87Å
604	L	95.8	Very high	89.7	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	152.2	172.4	-46.8	163.8	0	0	0	110.8	T596 T597 L598 V622 L624 L659 V660 L662	T596-L604 HydrophobicContact CG2-CD1 3.95Å; T596-L604 HydrophobicContact CG2-CD2 4.45Å; T596-L604 VanDerWaalsContact OG1-CB 3.28Å; T596-L604 WeakPolarHBondContact OG1-CB 3.46Å; T597-L604 CarbonylContact O-C 3.46Å; T597-L604 WeakPolarHBondContact O-CA 3.41Å; L598-L604 HydrophobicContact CB-CD2 4.07Å; L598-L604 HydrophobicContact CD1-CD2 3.54Å; L598-L604 HydrophobicContact CG-CD2 4.43Å; L604-V622 HydrophobicContact CD1-CB 3.82Å; L604-V622 HydrophobicContact CD1-CG1 3.95Å; L604-V622 HydrophobicContact CD1-CG2 3.76Å; L604-L624 HydrophobicContact CD2-CD2 4.34Å; L604-L659 WeakPolarHBondContact O-CA 3.41Å; L604-V660 HydrophobicContact CB-CB 4.18Å; L604-V660 HydrophobicContact CD1-CB 4.3Å; L604-V660 HydrophobicContact CD1-CG1 4.31Å; L604-V660 PolarHBondContact N-O 3.26Å; L604-V660 PolarHBondContact O-N 3.44Å; L604-L662 HydrophobicContact CD1-CD2 3.72Å; L604-L662 HydrophobicContact CG-CD2 4.07Å; L604-L662 HydrophobicContact CG-CG 4.41Å
605	L	96.4	Very high	88.6	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	137.6	169.3	-161	69.2	0	0	0	109.5	T596 T597 I599 V657 L659 I765 V768 V787 I794	T596-L605 CarbonylContact C-O 3.5Å; T596-L605 WeakPolarHBondContact CA-O 3.29Å; T596-L605 PolarHBondContact OG1-O 3.05Å; T597-L605 PolarHBondContact N-O 2.96Å; T597-L605 PolarHBondContact O-N 3.01Å; I599-L605 HydrophobicContact CD1-CB 4.28Å; I599-L605 HydrophobicContact CG2-CB 3.86Å; L605-V657 HydrophobicContact CD1-CG2 3.47Å; L605-V657 VanDerWaalsContact CD1-CG2 3.47Å; L605-V657 HydrophobicContact CD2-CG2 4.45Å; L605-V657 HydrophobicContact CG-CG2 3.92Å; L605-L659 HydrophobicContact CD1-CD2 3.66Å; L605-L659 HydrophobicContact CD1-CG 4.34Å; L605-I765 HydrophobicContact CD2-CD1 3.92Å; L605-V768 HydrophobicContact CD2-CG2 3.53Å; L605-V768 HydrophobicContact CG-CG2 3.89Å; L605-V787 HydrophobicContact CD2-CG2 4.1Å; L605-I794 HydrophobicContact CD1-CD1 4.07Å; L605-I794 HydrophobicContact CD1-CG1 4.5Å; L605-I794 HydrophobicContact CD2-CD1 4.35Å
606	T	95.8	Very high	87.9	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	-178.3	176	-171.2	0	0	0	0	109.9	L586 G595 F611 V657 A658 V660 G751	L586-T606 HydrophobicContact CD2-CG2 4.35Å; G595-T606 PolarHBondContact O-OG1 2.93Å; T606-F611 HydrophobicContact CG2-CE2 3.53Å; T606-F611 HydrophobicContact CG2-CZ 3.91Å; T606-V657 CarbonylContact O-C 3.47Å; T606-V657 WeakPolarHBondContact O-CA 3.25Å; T606-A658 HydrophobicContact CG2-CB 4.34Å; T606-A658 PolarHBondContact N-O 3.23Å; T606-A658 PolarHBondContact O-N 2.96Å; T606-V660 HydrophobicContact CG2-CG2 3.83Å; T606-G751 WeakPolarHBondContact OG1-CA 3.16Å
607	A	94.6	Very high	87.2	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.186	C	C	.	.			trans	-81.2	144.7	178.1	0	0	0	0	0	111.2	C610 V768	A607-C610 WeakPolarHBondContact O-CB 3.25Å; A607-V768 HydrophobicContact CB-CG1 4.32Å
608	A	93.6	Very high	86.5	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-67.6	-38.9	179	0	0	0	0	0	112	C610 F611 V644 F648 D656 A658	A608-C610 PolarHBondContact O-N 2.03Å; A608-F611 PolarHBondContact O-N 2.83Å; A608-V644 HydrophobicContact CB-CG1 3.69Å; A608-F648 HydrophobicContact CB-CB 4.21Å; A608-F648 HydrophobicContact CB-CD1 3.65Å; A608-F648 HydrophobicContact CB-CD2 3.72Å; A608-F648 HydrophobicContact CB-CE1 3.86Å; A608-F648 HydrophobicContact CB-CE2 3.94Å; A608-F648 HydrophobicContact CB-CG 3.56Å; A608-F648 HydrophobicContact CB-CZ 4Å; A608-D656 WeakPolarHBondContact CA-OD1 3.18Å; A608-D656 WeakPolarHBondContact CB-OD1 3.44Å; A608-D656 PolarHBondContact N-OD1 2.8Å; A608-A658 HydrophobicContact CB-CB 4.49Å
609	H	91.3	Very high	86	Confident	41 Å²	41	42.4 Å²	42.4	19%	0.19	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-61.9	-19	-177.5	75.8	-100.3	0	0	0	113.6	F611 N612 F648 M653 D656 S750 S770	H609-F611 PolarHBondContact O-N 2.01Å; H609-N612 PolarHBondContact O-N 3.21Å; H609-F648 HydrophobicContact CB-CZ 4.03Å; H609-M653 HydrophobicContact CB-CE 3.74Å; H609-M653 WeakPolarHBondContact ND1-CE 3.49Å; H609-D656 IonicContact CE1-OD2 3.38Å; H609-D656 PolarHBondContact CE1-OD2 3.04Å; H609-D656 IonicContact CG-OD1 2.81Å; H609-D656 IonicContact CG-OD2 2.74Å; H609-D656 PolarHBondContact N-OD1 2.97Å; H609-D656 VanDerWaalsContact ND1-CG 3.35Å; H609-D656 IonicContact ND1-OD1 2.79Å; H609-D656 PolarHBondContact ND1-OD1 3.23Å; H609-D656 IonicContact ND1-OD2 3.28Å; H609-D656 PolarHBondContact ND1-OD2 2.84Å; H609-S750 WeakPolarHBondContact NE2-CB 3.32Å; H609-S750 PolarHBondContact NE2-OG 2.86Å; H609-S770 PolarHBondContact CE1-O 3.18Å; H609-S770 VanDerWaalsContact CE1-O 3.3Å
610	C	90.8	Very high	85.9	Confident	3 Å²	3	42.3 Å²	42.3	2%	0.02	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-58.5	-26.5	172.6	-65.1	0	0	0	0	112.4	C594 A607 A608 W620	C594-C610 HydrophobicContact CB-CB 3.89Å; C594-C610 WeakPolarHBondContact CB-SG 3.41Å; C594-C610 WeakPolarHBondContact SG-CB 3.44Å; C594-C610 CovalentContact SG-SG 2.03Å; C594-C610 PolarHBondContact SG-SG 3.42Å; A607-C610 WeakPolarHBondContact O-CB 3.25Å; A608-C610 PolarHBondContact O-N 2.03Å; C610-W620 VanDerWaalsContact O-CH2 3.3Å; C610-W620 WeakPolarHBondContact O-CH2 3.29Å
611	F	89.3	Confident	85.9	Confident	8 Å²	8	39.8 Å²	39.8	4%	0.035	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-104.4	5.7	-177	-55.2	-74.3	0	0	0	114.3	L586 T606 A608 H609 S613 D614 W620 V642 A658 V660	L586-F611 HydrophobicContact CD2-CE1 3.9Å; L586-F611 HydrophobicContact CD2-CE2 4.42Å; L586-F611 HydrophobicContact CD2-CZ 3.57Å; T606-F611 HydrophobicContact CG2-CE2 3.53Å; T606-F611 HydrophobicContact CG2-CZ 3.91Å; A608-F611 PolarHBondContact O-N 2.83Å; H609-F611 PolarHBondContact O-N 2.01Å; F611-S613 PolarHBondContact O-N 3.3Å; F611-D614 CarbonylContact O-C 3.53Å; F611-D614 PolarHBondContact O-N 3.07Å; F611-W620 HydrophobicContact CD1-CD2 4.27Å; F611-W620 AromaticContact CD1-CE2 3.73Å; F611-W620 HydrophobicContact CD1-CH2 4.03Å; F611-W620 AromaticContact CD1-CZ2 3.62Å; F611-W620 HydrophobicContact CD1-CZ2 3.62Å; F611-W620 AromaticContact CE1-CD2 3.93Å; F611-W620 HydrophobicContact CE1-CD2 3.93Å; F611-W620 AromaticContact CE1-CE2 3.89Å; F611-W620 HydrophobicContact CE1-CE3 4.08Å; F611-W620 HydrophobicContact CE1-CG 4.5Å; F611-W620 HydrophobicContact CE1-CH2 4.1Å; F611-W620 AromaticContact CE1-CZ2 4Å; F611-W620 HydrophobicContact CE1-CZ2 4Å; F611-W620 HydrophobicContact CE1-CZ3 4.16Å; F611-V642 HydrophobicContact CD1-CG1 3.84Å; F611-V642 HydrophobicContact CD1-CG2 4.18Å; F611-V642 HydrophobicContact CD2-CG1 3.63Å; F611-V642 HydrophobicContact CE1-CB 4.46Å; F611-V642 HydrophobicContact CE1-CG1 3.83Å; F611-V642 HydrophobicContact CE1-CG2 3.75Å; F611-V642 HydrophobicContact CE2-CG1 3.6Å; F611-V642 HydrophobicContact CG-CG1 3.74Å; F611-V642 HydrophobicContact CZ-CG1 3.71Å; F611-V642 HydrophobicContact CZ-CG2 4.1Å; F611-A658 HydrophobicContact CD2-CB 3.98Å; F611-A658 HydrophobicContact CE2-CB 3.79Å; F611-V660 HydrophobicContact CE2-CG2 4.09Å; F611-V660 HydrophobicContact CZ-CG2 3.64Å
612	N	74.9	Confident	86.1	Confident	104 Å²	104	36.6 Å²	36.6	56%	0.556	21%	0.212	S	C	*	.	S	Bend	trans	-61.2	-18.2	-176.6	-83.6	2.6	0	0	0	114.9	H609 F648	H609-N612 PolarHBondContact O-N 3.21Å; N612-F648 WeakPolarHBondContact OD1-CE1 3.39Å
613	S	65.2	Low	86.1	Confident	89 Å²	89	33.7 Å²	33.7	62%	0.622	20%	0.2	S	C	*	.	S	Bend	trans	-99.4	-37.8	-177.7	24.7	0	0	0	0	112.8	F611	F611-S613 PolarHBondContact O-N 3.3Å
614	D	68.2	Low	85.9	Confident	47 Å²	47	32.7 Å²	32.7	25%	0.251	20%	0.196	S	C	.	.			trans	-156.9	120.9	177.3	-167.7	-12.8	0	0	0	109.7	Y588 F611 S616 W620	Y588-D614 HydrophobicContact CE2-CB 4.05Å; Y588-D614 PolarHBondContact OH-OD2 2.94Å; F611-D614 CarbonylContact O-C 3.53Å; F611-D614 PolarHBondContact O-N 3.07Å; D614-S616 WeakPolarHBondContact OD1-CB 3.4Å; D614-S616 PolarHBondContact OD1-N 3.17Å; D614-W620 PolarHBondContact O-NE1 3.42Å
615	S	67.8	Low	85.1	Confident	76 Å²	76	33.1 Å²	33.1	53%	0.531	20%	0.201	S	C	.	.			trans	-100.9	0.4	178.5	55.9	0	0	0	0	112.9	P617	S615-P617 WeakPolarHBondContact O-CD 3.25Å
616	S	77.8	Confident	84.2	Confident	46 Å²	46	33.6 Å²	33.6	32%	0.322	20%	0.204	S	C	.	.			trans	-66.9	116.8	-178.6	-179.9	0	0	0	0	110.7	D614 T618	D614-S616 WeakPolarHBondContact OD1-CB 3.4Å; D614-S616 PolarHBondContact OD1-N 3.17Å; S616-T618 PolarHBondContact O-N 2.8Å; S616-T618 PolarHBondContact OG-OG1 2.89Å
617	P	79.8	Confident	83.3	Confident	40 Å²	40	34.8 Å²	34.8	26%	0.26	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-64.2	-17.7	-172.4	26.3	-34.9	0	0	0	114	S615 E619 W620 I639	S615-P617 WeakPolarHBondContact O-CD 3.25Å; P617-E619 VanDerWaalsContact C-N 3.28Å; P617-E619 PolarHBondContact O-N 2.81Å; P617-W620 PolarHBondContact O-N 2.95Å; P617-I639 HydrophobicContact CB-CG2 4.07Å
618	T	81.3	Confident	82.1	Confident	120 Å²	120	36.8 Å²	36.8	74%	0.736	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-63.7	-27.4	-173.3	53.2	0	0	0	0	114.7	S616	S616-T618 PolarHBondContact O-N 2.8Å; S616-T618 PolarHBondContact OG-OG1 2.89Å
619	E	85.3	Confident	81.2	Confident	82 Å²	82	40.5 Å²	40.5	38%	0.383	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-101.7	-1.1	-178.5	-58.4	-158.9	161.6	0	0	113.3	Y588 Q589 P617	Y588-E619 HydrophobicContact CD2-CB 3.95Å; Y588-E619 HydrophobicContact CE2-CB 3.61Å; Y588-E619 HydrophobicContact CE2-CG 4.47Å; Y588-E619 WeakPolarHBondContact CE2-OE2 3.07Å; Y588-E619 PolarHBondContact OH-OE2 3.41Å; Q589-E619 HydrophobicContact CG-CB 4.4Å; Q589-E619 WeakPolarHBondContact CG-OE2 3.25Å; Q589-E619 PolarHBondContact N-O 3.13Å; Q589-E619 PolarHBondContact NE2-OE2 2.86Å; P617-E619 VanDerWaalsContact C-N 3.28Å; P617-E619 PolarHBondContact O-N 2.81Å
620	W	90.6	Very high	80	Confident	6 Å²	6	42.3 Å²	42.3	2%	0.023	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	135.7	-177.5	-70	95.5	0	0	0	111.6	L586 Q587 Y588 R593 C610 F611 D614 P617 I639	L586-W620 HydrophobicContact CD1-CE3 4.06Å; L586-W620 HydrophobicContact CD1-CZ3 4.47Å; L586-W620 HydrophobicContact CD2-CE3 3.88Å; L586-W620 HydrophobicContact CD2-CH2 4.33Å; L586-W620 HydrophobicContact CD2-CZ3 3.5Å; L586-W620 VanDerWaalsContact CD2-CZ3 3.5Å; L586-W620 HydrophobicContact CG-CE3 3.64Å; L586-W620 HydrophobicContact CG-CZ3 3.59Å; Q587-W620 WeakPolarHBondContact O-CA 3.43Å; Y588-W620 AromaticContact CD2-CD1 3.99Å; Y588-W620 AromaticContact CD2-CD2 3.89Å; Y588-W620 HydrophobicContact CD2-CD2 3.89Å; Y588-W620 AromaticContact CD2-CE2 3.53Å; Y588-W620 HydrophobicContact CD2-CG 4.19Å; Y588-W620 AromaticContact CD2-CZ2 3.93Å; Y588-W620 HydrophobicContact CD2-CZ2 3.93Å; Y588-W620 AromaticContact CD2-NE1 3.58Å; Y588-W620 AromaticContact CE2-NE1 3.94Å; Y588-W620 HydrophobicContact CG-CZ2 4.29Å; R593-W620 HydrophobicContact CB-CH2 4.19Å; R593-W620 HydrophobicContact CB-CZ3 3.98Å; R593-W620 HydrophobicContact CG-CH2 3.82Å; R593-W620 HydrophobicContact CG-CZ3 4.13Å; C610-W620 VanDerWaalsContact O-CH2 3.3Å; C610-W620 WeakPolarHBondContact O-CH2 3.29Å; F611-W620 HydrophobicContact CD1-CD2 4.27Å; F611-W620 AromaticContact CD1-CE2 3.73Å; F611-W620 HydrophobicContact CD1-CH2 4.03Å; F611-W620 AromaticContact CD1-CZ2 3.62Å; F611-W620 HydrophobicContact CD1-CZ2 3.62Å; F611-W620 AromaticContact CE1-CD2 3.93Å; F611-W620 HydrophobicContact CE1-CD2 3.93Å; F611-W620 AromaticContact CE1-CE2 3.89Å; F611-W620 HydrophobicContact CE1-CE3 4.08Å; F611-W620 HydrophobicContact CE1-CG 4.5Å; F611-W620 HydrophobicContact CE1-CH2 4.1Å; F611-W620 AromaticContact CE1-CZ2 4Å; F611-W620 HydrophobicContact CE1-CZ2 4Å; F611-W620 HydrophobicContact CE1-CZ3 4.16Å; D614-W620 PolarHBondContact O-NE1 3.42Å; P617-W620 PolarHBondContact O-N 2.95Å; W620-I639 HydrophobicContact CB-CB 4.21Å; W620-I639 HydrophobicContact CB-CD1 3.58Å; W620-I639 HydrophobicContact CB-CG1 4.37Å; W620-I639 PolarHBondContact O-N 3.24Å
621	A	91.6	Very high	78.6	Confident	20 Å²	20	42.9 Å²	42.9	17%	0.165	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	155.1	170.2	0	0	0	0	0	109.9	Q587 V636 I637	Q587-A621 PolarHBondContact N-O 2.55Å; Q587-A621 PolarHBondContact O-N 2.84Å; A621-V636 HydrophobicContact CB-CG1 3.84Å; A621-I637 WeakPolarHBondContact CA-O 3.37Å
622	V	93.7	Very high	77.3	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	141.9	169.1	68.8	0	0	0	0	110	T596 L604 L624 V636 I637 L662	T596-V622 HydrophobicContact CG2-CG2 3.58Å; L604-V622 HydrophobicContact CD1-CB 3.82Å; L604-V622 HydrophobicContact CD1-CG1 3.95Å; L604-V622 HydrophobicContact CD1-CG2 3.76Å; V622-L624 HydrophobicContact CG1-CD1 4.32Å; V622-L624 HydrophobicContact CG1-CG 4.18Å; V622-L624 HydrophobicContact CG2-CD2 3.88Å; V622-L624 HydrophobicContact CG2-CG 4.04Å; V622-V636 CarbonylContact O-C 3.54Å; V622-V636 VanDerWaalsContact O-CA 3.27Å; V622-V636 WeakPolarHBondContact O-CA 3.39Å; V622-I637 HydrophobicContact CG1-CB 3.95Å; V622-I637 PolarHBondContact N-O 2.89Å; V622-I637 PolarHBondContact O-N 3.05Å; V622-L662 HydrophobicContact CG1-CD2 3.45Å; V622-L662 VanDerWaalsContact CG1-CD2 3.45Å
623	S	90.7	Very high	76.8	Confident	4 Å²	4	45.9 Å²	45.9	3%	0.028	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	114.5	169.7	161.1	0	0	0	0	109.2	S585 A634	S585-S623 PolarHBondContact N-O 2.8Å; S585-S623 PolarHBondContact O-N 3.14Å; S623-A634 WeakPolarHBondContact OG-CB 3.46Å
624	L	89.6	Confident	77.4	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	151.5	-179.2	-63.5	174.7	0	0	0	112.1	L598 L604 V622 S626 A634 L635 I637 A666 I672	L598-L624 HydrophobicContact CD1-CD1 4.38Å; L604-L624 HydrophobicContact CD2-CD2 4.34Å; V622-L624 HydrophobicContact CG1-CD1 4.32Å; V622-L624 HydrophobicContact CG1-CG 4.18Å; V622-L624 HydrophobicContact CG2-CD2 3.88Å; V622-L624 HydrophobicContact CG2-CG 4.04Å; L624-S626 PolarHBondContact O-N 3.46Å; L624-A634 CarbonylContact O-C 3.59Å; L624-A634 WeakPolarHBondContact O-CA 3.27Å; L624-L635 PolarHBondContact N-O 3.31Å; L624-L635 PolarHBondContact O-N 2.95Å; L624-I637 HydrophobicContact CD1-CD1 4.17Å; L624-A666 HydrophobicContact CD1-CB 3.88Å; L624-I672 HydrophobicContact CB-CD1 3.98Å; L624-I672 HydrophobicContact CB-CG1 4.18Å; L624-I672 HydrophobicContact CB-CG2 4.49Å; L624-I672 HydrophobicContact CD1-CG2 4.28Å
625	G	80.1	Confident	78.1	Confident	9 Å²	9	43.7 Å²	43.7	9%	0.093	27%	0.271	C	S	.	.	S	Bend	trans	78	9.9	169.4	0	0	0	0	0	116.9	R577 T671	R577-G625 PolarHBondContact NE-O 3.16Å; G625-T671 WeakPolarHBondContact CA-O 3.45Å
626	S	76.4	Confident	79.1	Confident	11 Å²	11	43.9 Å²	43.9	8%	0.077	27%	0.268	C	S	.	.			trans	-120.6	150.6	172	-171.3	0	0	0	0	111.6	L624 L628 L632 A634	L624-S626 PolarHBondContact O-N 3.46Å; S626-L628 PolarHBondContact OG-N 3.1Å; S626-L628 VanDerWaalsContact OG-N 3.12Å; S626-L632 PolarHBondContact OG-O 2.92Å; S626-A634 VanDerWaalsContact CB-CB 3.49Å
627	V	76.6	Confident	79.8	Confident	24 Å²	24	41.8 Å²	41.8	15%	0.145	25%	0.253	C	S	.	.	S	Bend	trans	-90.7	-9.4	170.4	-66.6	0	0	0	0	112.2	R576 R577 W695 L707 L708	R576-V627 WeakPolarHBondContact O-CG1 3.07Å; R577-V627 HydrophobicContact CB-CG1 4.23Å; V627-W695 PolarHBondContact O-NE1 2.88Å; V627-L707 CarbonylContact O-C 3.6Å; V627-L707 WeakPolarHBondContact O-CA 3.23Å; V627-L708 HydrophobicContact CB-CB 4.14Å; V627-L708 HydrophobicContact CG1-CB 4.38Å; V627-L708 HydrophobicContact CG1-CD2 4.44Å; V627-L708 PolarHBondContact O-N 3.37Å
628	L	69.9	Low	80.4	Confident	43 Å²	43	43.5 Å²	43.5	23%	0.225	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-91.9	127.1	-178.7	-67.7	169.5	0	0	0	110.7	S626 S630 G631 L632 N706 L707	S626-L628 PolarHBondContact OG-N 3.1Å; S626-L628 VanDerWaalsContact OG-N 3.12Å; L628-S630 PolarHBondContact O-N 2.93Å; L628-G631 PolarHBondContact O-N 2.83Å; L628-L632 HydrophobicContact CD1-CB 3.99Å; L628-L632 HydrophobicContact CD1-CD2 4.22Å; L628-N706 CarbonylContact C-O 3.02Å; L628-N706 WeakPolarHBondContact CA-O 3.32Å; L628-L707 HydrophobicContact CD2-CD2 3.59Å; L628-L707 HydrophobicContact CD2-CG 4.44Å
629	R	74.1	Confident	80.9	Confident	78 Å²	78	38.3 Å²	38.3	29%	0.294	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-29	174.7	-171.2	173.6	57.7	79.8	1.1	112	H592 G631 W695 T705 N706	H592-R629 HydrophobicContact CB-CG 3.59Å; R629-G631 PolarHBondContact O-N 2.79Å; R629-W695 HydrophobicContact CB-CG 4.17Å; R629-W695 HydrophobicContact CG-CB 4.46Å; R629-W695 HydrophobicContact CG-CG 4.42Å; R629-T705 WeakPolarHBondContact CD-O 3.4Å; R629-T705 PolarHBondContact NE-O 3.12Å; R629-N706 PolarHBondContact N-O 2.03Å
630	S	66.9	Low	81.3	Confident	78 Å²	78	39.1 Å²	39.1	55%	0.545	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-12.4	175.2	63.6	0	0	0	0	114.5	L628 L632	L628-S630 PolarHBondContact O-N 2.93Å; S630-L632 VanDerWaalsContact C-N 3.26Å; S630-L632 PolarHBondContact O-N 3.34Å
631	G	61	Low	81.3	Confident	15 Å²	15	44.2 Å²	44.2	16%	0.155	26%	0.255	C	S	.	.			trans	77.2	7.5	-178.3	0	0	0	0	0	114.2	L628 R629 G633 A634	L628-G631 PolarHBondContact O-N 2.83Å; R629-G631 PolarHBondContact O-N 2.79Å; G631-G633 PolarHBondContact O-N 2.69Å; G631-A634 VanDerWaalsContact O-CB 3.25Å; G631-A634 WeakPolarHBondContact O-CB 3.39Å; G631-A634 PolarHBondContact O-N 2.8Å
632	L	62.8	Low	81.4	Confident	129 Å²	129	44.5 Å²	44.5	68%	0.675	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	120.8	177.7	-165.2	134.3	0	0	0	109.8	S626 L628 S630 A634	S626-L632 PolarHBondContact OG-O 2.92Å; L628-L632 HydrophobicContact CD1-CB 3.99Å; L628-L632 HydrophobicContact CD1-CD2 4.22Å; S630-L632 VanDerWaalsContact C-N 3.26Å; S630-L632 PolarHBondContact O-N 3.34Å; L632-A634 VanDerWaalsContact C-N 3.28Å; L632-A634 PolarHBondContact O-N 3.41Å
633	G	63.1	Low	81.4	Confident	47 Å²	47	45.7 Å²	45.7	49%	0.485	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	73	14.4	-173.3	0	0	0	0	0	115	R577 G631	R577-G633 PolarHBondContact NH2-O 3.41Å; G631-G633 PolarHBondContact O-N 2.69Å
634	A	77.5	Confident	81.5	Confident	22 Å²	22	48.1 Å²	48.1	18%	0.182	28%	0.276	C	S	.	.			trans	-91.5	153.3	172.6	0	0	0	0	0	111.7	S623 L624 S626 G631 L632	S623-A634 WeakPolarHBondContact OG-CB 3.46Å; L624-A634 CarbonylContact O-C 3.59Å; L624-A634 WeakPolarHBondContact O-CA 3.27Å; S626-A634 VanDerWaalsContact CB-CB 3.49Å; G631-A634 VanDerWaalsContact O-CB 3.25Å; G631-A634 WeakPolarHBondContact O-CB 3.39Å; G631-A634 PolarHBondContact O-N 2.8Å; L632-A634 VanDerWaalsContact C-N 3.28Å; L632-A634 PolarHBondContact O-N 3.41Å
635	L	84.5	Confident	81.7	Confident	68 Å²	68	49.1 Å²	49.1	36%	0.356	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	115.2	164.2	-178.7	64.4	0	0	0	108.5	L624 I637 P667 I672	L624-L635 PolarHBondContact N-O 3.31Å; L624-L635 PolarHBondContact O-N 2.95Å; L635-I637 HydrophobicContact CD2-CD1 3.83Å; L635-I637 HydrophobicContact CD2-CG1 4.14Å; L635-I637 HydrophobicContact CG-CD1 4.15Å; L635-I637 HydrophobicContact CG-CG1 3.9Å; L635-P667 HydrophobicContact CD2-CG 3.55Å; L635-I672 HydrophobicContact CB-CD1 4.01Å; L635-I672 HydrophobicContact CD2-CD1 4Å
636	V	89	Confident	82.3	Confident	79 Å²	79	54.1 Å²	54.1	48%	0.479	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	119.9	177.7	-177.1	0	0	0	0	109.2	A621 V622	A621-V636 HydrophobicContact CB-CG1 3.84Å; V622-V636 CarbonylContact O-C 3.54Å; V622-V636 VanDerWaalsContact O-CA 3.27Å; V622-V636 WeakPolarHBondContact O-CA 3.39Å
637	I	90.9	Very high	83.1	Confident	3 Å²	3	56 Å²	56	2%	0.015	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	125.2	-177.5	-54.9	178.9	0	0	0	109.1	A621 V622 L624 L635 L662 V664 A666	A621-I637 WeakPolarHBondContact CA-O 3.37Å; V622-I637 HydrophobicContact CG1-CB 3.95Å; V622-I637 PolarHBondContact N-O 2.89Å; V622-I637 PolarHBondContact O-N 3.05Å; L624-I637 HydrophobicContact CD1-CD1 4.17Å; L635-I637 HydrophobicContact CD2-CD1 3.83Å; L635-I637 HydrophobicContact CD2-CG1 4.14Å; L635-I637 HydrophobicContact CG-CD1 4.15Å; L635-I637 HydrophobicContact CG-CG1 3.9Å; I637-L662 HydrophobicContact CB-CD2 4.4Å; I637-L662 HydrophobicContact CD1-CD1 4.19Å; I637-L662 HydrophobicContact CG2-CB 4.02Å; I637-L662 HydrophobicContact CG2-CD2 4.1Å; I637-L662 HydrophobicContact CG2-CG 4.47Å; I637-V664 HydrophobicContact CG2-CG2 3.68Å; I637-A666 HydrophobicContact CD1-CB 3.94Å
638	P	92.1	Very high	83.8	Confident	76 Å²	76	56.7 Å²	56.7	49%	0.494	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	150.1	172.6	-21	32.8	0	0	0	112.5	A663	P638-A663 HydrophobicContact CB-CB 4.25Å; P638-A663 VanDerWaalsContact O-CB 3.31Å; P638-A663 WeakPolarHBondContact O-CB 3.26Å; P638-A663 PolarHBondContact O-N 2.92Å
639	I	93.6	Very high	84.8	Confident	10 Å²	10	57.7 Å²	57.7	5%	0.051	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	132.7	178.1	-71.8	165.2	0	0	0	109.6	L586 P617 W620 V642 V660	L586-I639 HydrophobicContact CD1-CD1 3.4Å; P617-I639 HydrophobicContact CB-CG2 4.07Å; W620-I639 HydrophobicContact CB-CB 4.21Å; W620-I639 HydrophobicContact CB-CD1 3.58Å; W620-I639 HydrophobicContact CB-CG1 4.37Å; W620-I639 PolarHBondContact O-N 3.24Å; I639-V642 HydrophobicContact CG2-CG2 3.83Å; I639-V660 HydrophobicContact CB-CG1 4.14Å; I639-V660 HydrophobicContact CD1-CG1 3.57Å; I639-V660 HydrophobicContact CG1-CG1 3.56Å; I639-V660 HydrophobicContact CG2-CG1 3.47Å; I639-V660 VanDerWaalsContact CG2-CG1 3.47Å
640	Q	92.1	Very high	85.3	Confident	100 Å²	100	56.1 Å²	56.1	47%	0.467	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-44.8	176.6	-179.6	167.9	-0.4	0	0	111.2	E661 A663	Q640-E661 HydrophobicContact CB-CG 4.46Å; Q640-E661 PolarHBondContact N-O 3.49Å; Q640-A663 HydrophobicContact CB-CB 4.32Å
641	R	91.8	Very high	86.2	Confident	112 Å²	112	58.5 Å²	58.5	42%	0.423	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	143.3	-174.2	-177.4	171.7	57.8	151.2	-2.2	110.8	I643 E661	R641-I643 HydrophobicContact CG-CG1 4.04Å; R641-E661 HydrophobicContact CB-CB 4.17Å; R641-E661 IonicContact CZ-OE2 2.65Å; R641-E661 VanDerWaalsContact CZ-OE2 3.32Å; R641-E661 PolarHBondContact N-O 2.91Å; R641-E661 IonicContact NE-OE2 3.13Å; R641-E661 PolarHBondContact NE-OE2 3.24Å; R641-E661 IonicContact NH2-OE2 2.56Å; R641-E661 PolarHBondContact NH2-OE2 3.41Å; R641-E661 PolarHBondContact O-N 2.9Å
642	V	93.6	Very high	87.4	Confident	26 Å²	26	60.8 Å²	60.8	16%	0.158	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	132.4	170.8	-179	0	0	0	0	108.1	F611 I639 V644 V660	F611-V642 HydrophobicContact CD1-CG1 3.84Å; F611-V642 HydrophobicContact CD1-CG2 4.18Å; F611-V642 HydrophobicContact CD2-CG1 3.63Å; F611-V642 HydrophobicContact CE1-CB 4.46Å; F611-V642 HydrophobicContact CE1-CG1 3.83Å; F611-V642 HydrophobicContact CE1-CG2 3.75Å; F611-V642 HydrophobicContact CE2-CG1 3.6Å; F611-V642 HydrophobicContact CG-CG1 3.74Å; F611-V642 HydrophobicContact CZ-CG1 3.71Å; F611-V642 HydrophobicContact CZ-CG2 4.1Å; I639-V642 HydrophobicContact CG2-CG2 3.83Å; V642-V644 HydrophobicContact CG1-CG2 4.42Å; V642-V660 HydrophobicContact CG2-CG1 4.48Å
643	I	93.1	Very high	88.7	Confident	25 Å²	25	56.3 Å²	56.3	13%	0.128	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	101.5	179.9	-48.4	177.4	0	0	0	107.9	W603 R641 A658 L659 W793	W603-I643 HydrophobicContact CH2-CD1 4.03Å; W603-I643 HydrophobicContact CZ3-CD1 3.9Å; R641-I643 HydrophobicContact CG-CG1 4.04Å; I643-A658 CarbonylContact O-C 3.56Å; I643-A658 VanDerWaalsContact O-CA 3.26Å; I643-A658 WeakPolarHBondContact O-CA 3.47Å; I643-L659 HydrophobicContact CB-CB 4.32Å; I643-L659 PolarHBondContact N-O 2.92Å; I643-L659 PolarHBondContact O-N 2.9Å; I643-W793 HydrophobicContact CG2-CZ2 4.17Å
644	V	93.3	Very high	90.1	Very high	56 Å²	56	55.2 Å²	55.2	34%	0.339	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	140.9	174.3	175.7	0	0	0	0	109.4	A608 V642 F648 A658	A608-V644 HydrophobicContact CB-CG1 3.69Å; V642-V644 HydrophobicContact CG1-CG2 4.42Å; V644-F648 HydrophobicContact CG1-CB 3.98Å; V644-F648 HydrophobicContact CG1-CD1 3.96Å; V644-F648 HydrophobicContact CG1-CG 4.26Å; V644-A658 HydrophobicContact CG2-CB 4.28Å
645	H	93.6	Very high	90.8	Very high	20 Å²	20	56.2 Å²	56.2	9%	0.093	32%	0.322	C	S	.	.			trans	-58.4	130.9	176.3	-168.5	-81.5	0	0	0	110.8	A647 F648 H655 V657 W793	H645-A647 PolarHBondContact ND1-N 3.04Å; H645-A647 VanDerWaalsContact ND1-N 3.12Å; H645-A647 PolarHBondContact O-N 2.71Å; H645-F648 HydrophobicContact CB-CB 4.5Å; H645-F648 WeakPolarHBondContact O-CB 3.06Å; H645-F648 PolarHBondContact O-N 3.47Å; H645-H655 AromaticContact CE1-CD2 3.31Å; H645-H655 PolarHBondContact CE1-CD2 2.94Å; H645-H655 AromaticContact CE1-CG 3.88Å; H645-H655 AromaticContact ND1-CD2 3.75Å; H645-H655 AromaticContact ND1-CG 3.87Å; H645-H655 AromaticContact NE2-CD2 3.8Å; H645-V657 HydrophobicContact CB-CG1 3.77Å; H645-V657 VanDerWaalsContact CB-O 3.29Å; H645-V657 WeakPolarHBondContact CB-O 3.48Å; H645-V657 PolarHBondContact N-O 2.83Å; H645-W793 HydrophobicContact CB-CH2 4.36Å; H645-W793 HydrophobicContact CB-CZ2 4.21Å; H645-W793 AromaticContact CD2-CD1 3.94Å; H645-W793 AromaticContact CD2-CD2 3.38Å; H645-W793 AromaticContact CD2-CE2 3.69Å; H645-W793 AromaticContact CD2-CE3 3.69Å; H645-W793 AromaticContact CD2-CG 3.56Å; H645-W793 AromaticContact NE2-CG 3.71Å
646	P	92.4	Very high	91.2	Very high	114 Å²	114	53 Å²	53	74%	0.74	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-25.9	-173	25.3	-35.1	0	0	0	113.7	F648	P646-F648 VanDerWaalsContact C-N 3.33Å
647	A	92.4	Very high	91.5	Very high	52 Å²	52	49.2 Å²	49.2	43%	0.43	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	6.7	175.5	0	0	0	0	0	113.8	H645 N649 H655	H645-A647 PolarHBondContact ND1-N 3.04Å; H645-A647 VanDerWaalsContact ND1-N 3.12Å; H645-A647 PolarHBondContact O-N 2.71Å; A647-N649 PolarHBondContact O-N 2.8Å; A647-H655 HydrophobicContact CB-CB 4.36Å
648	F	92.7	Very high	91.7	Very high	37 Å²	37	49 Å²	49	16%	0.162	28%	0.281	C	S	.	.			trans	-60.9	129	178.5	171.6	-120.6	0	0	0	110.8	A608 H609 N612 V644 H645 P646 D654 D656	A608-F648 HydrophobicContact CB-CB 4.21Å; A608-F648 HydrophobicContact CB-CD1 3.65Å; A608-F648 HydrophobicContact CB-CD2 3.72Å; A608-F648 HydrophobicContact CB-CE1 3.86Å; A608-F648 HydrophobicContact CB-CE2 3.94Å; A608-F648 HydrophobicContact CB-CG 3.56Å; A608-F648 HydrophobicContact CB-CZ 4Å; H609-F648 HydrophobicContact CB-CZ 4.03Å; N612-F648 WeakPolarHBondContact OD1-CE1 3.39Å; V644-F648 HydrophobicContact CG1-CB 3.98Å; V644-F648 HydrophobicContact CG1-CD1 3.96Å; V644-F648 HydrophobicContact CG1-CG 4.26Å; H645-F648 HydrophobicContact CB-CB 4.5Å; H645-F648 WeakPolarHBondContact O-CB 3.06Å; H645-F648 PolarHBondContact O-N 3.47Å; P646-F648 VanDerWaalsContact C-N 3.33Å; F648-D654 WeakPolarHBondContact CA-O 3.46Å; F648-D654 WeakPolarHBondContact CD2-O 3.44Å; F648-D656 VanDerWaalsContact CD2-CA 3.49Å; F648-D656 HydrophobicContact CD2-CB 3.99Å; F648-D656 HydrophobicContact CE2-CB 3.7Å; F648-D656 WeakPolarHBondContact CE2-OD1 3.39Å
649	N	89.9	Confident	91.9	Very high	65 Å²	65	45.4 Å²	45.4	35%	0.348	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-121.6	111.7	176.9	-179.4	-8.4	0	0	0	110.8	A647 T651 N652 M653 D654	A647-N649 PolarHBondContact O-N 2.8Å; N649-T651 PolarHBondContact O-N 2.87Å; N649-T651 PolarHBondContact OD1-N 3.16Å; N649-T651 PolarHBondContact OD1-OG1 2.89Å; N649-N652 WeakPolarHBondContact CB-OD1 3.02Å; N649-N652 PolarHBondContact ND2-OD1 2.92Å; N649-N652 PolarHBondContact O-OD1 2.98Å; N649-M653 WeakPolarHBondContact O-CA 2.93Å; N649-M653 PolarHBondContact O-N 3.45Å; N649-D654 PolarHBondContact N-O 2.93Å; N649-D654 PolarHBondContact O-N 2.79Å
650	G	85.3	Confident	92	Very high	44 Å²	44	45 Å²	45	45%	0.454	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-8.5	-178.5	0	0	0	0	0	115.8
651	T	85.1	Confident	92.1	Very high	129 Å²	129	41.4 Å²	41.4	79%	0.791	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-41	178	62.7	0	0	0	0	113	N649	N649-T651 PolarHBondContact O-N 2.87Å; N649-T651 PolarHBondContact OD1-N 3.16Å; N649-T651 PolarHBondContact OD1-OG1 2.89Å
652	N	87.6	Confident	92.2	Very high	63 Å²	63	36 Å²	36	34%	0.337	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	1	179.1	68.2	-7.1	0	0	0	112.5	N649 D654 M733	N649-N652 WeakPolarHBondContact CB-OD1 3.02Å; N649-N652 PolarHBondContact ND2-OD1 2.92Å; N649-N652 PolarHBondContact O-OD1 2.98Å; N652-D654 PolarHBondContact O-N 3.18Å; N652-D654 WeakPolarHBondContact OD1-CB 3.12Å; N652-D654 PolarHBondContact OD1-N 3.15Å; N652-D654 VanDerWaalsContact OD1-N 3.08Å; N652-M733 VanDerWaalsContact O-CE 3.29Å; N652-M733 WeakPolarHBondContact O-CE 3.45Å
653	M	89.6	Confident	92.1	Very high	34 Å²	34	36.8 Å²	36.8	17%	0.167	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	22	-178.9	-54.9	-65.8	-70.4	0	0	113.8	H609 N649 D656 W771	H609-M653 HydrophobicContact CB-CE 3.74Å; H609-M653 WeakPolarHBondContact ND1-CE 3.49Å; N649-M653 WeakPolarHBondContact O-CA 2.93Å; N649-M653 PolarHBondContact O-N 3.45Å; M653-D656 WeakPolarHBondContact CE-OD2 3.25Å; M653-D656 WeakPolarHBondContact O-CB 3.46Å; M653-W771 HydrophobicContact CB-CG 4.04Å; M653-W771 HydrophobicContact CE-CB 4.49Å; M653-W771 HydrophobicContact CG-CB 4.32Å; M653-W771 HydrophobicContact CG-CG 4.06Å
654	D	91.8	Very high	92	Very high	25 Å²	25	39.5 Å²	39.5	13%	0.134	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-71.8	142.8	177.5	-169.7	35.2	0	0	0	111.3	F648 N649 N652 D656 T730 S732 M733	F648-D654 WeakPolarHBondContact CA-O 3.46Å; F648-D654 WeakPolarHBondContact CD2-O 3.44Å; N649-D654 PolarHBondContact N-O 2.93Å; N649-D654 PolarHBondContact O-N 2.79Å; N652-D654 PolarHBondContact O-N 3.18Å; N652-D654 WeakPolarHBondContact OD1-CB 3.12Å; N652-D654 PolarHBondContact OD1-N 3.15Å; N652-D654 VanDerWaalsContact OD1-N 3.08Å; D654-D656 PolarHBondContact O-N 3.39Å; D654-T730 HydrophobicContact CB-CG2 4.21Å; D654-T730 PolarHBondContact OD1-OG1 2.99Å; D654-S732 PolarHBondContact OD1-OG 2.75Å; D654-M733 VanDerWaalsContact CA-CE 3.47Å; D654-M733 HydrophobicContact CB-CE 3.9Å
655	H	92	Very high	91.8	Very high	42 Å²	42	40.1 Å²	40.1	19%	0.194	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	39	-173.2	-63.4	80.8	0	0	0	113.9	H645 A647 V657	H645-H655 AromaticContact CE1-CD2 3.31Å; H645-H655 PolarHBondContact CE1-CD2 2.94Å; H645-H655 AromaticContact CE1-CG 3.88Å; H645-H655 AromaticContact ND1-CD2 3.75Å; H645-H655 AromaticContact ND1-CG 3.87Å; H645-H655 AromaticContact NE2-CD2 3.8Å; A647-H655 HydrophobicContact CB-CB 4.36Å; H655-V657 PolarHBondContact O-N 2.97Å
656	D	94.3	Very high	91.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	25%	0.248	C	C	.	.			trans	-72.1	75.4	177.9	-177.1	29.5	0	0	0	112	A608 H609 F648 M653 D654 S770 T785	A608-D656 WeakPolarHBondContact CA-OD1 3.18Å; A608-D656 WeakPolarHBondContact CB-OD1 3.44Å; A608-D656 PolarHBondContact N-OD1 2.8Å; H609-D656 IonicContact CE1-OD2 3.38Å; H609-D656 PolarHBondContact CE1-OD2 3.04Å; H609-D656 IonicContact CG-OD1 2.81Å; H609-D656 IonicContact CG-OD2 2.74Å; H609-D656 PolarHBondContact N-OD1 2.97Å; H609-D656 VanDerWaalsContact ND1-CG 3.35Å; H609-D656 IonicContact ND1-OD1 2.79Å; H609-D656 PolarHBondContact ND1-OD1 3.23Å; H609-D656 IonicContact ND1-OD2 3.28Å; H609-D656 PolarHBondContact ND1-OD2 2.84Å; F648-D656 VanDerWaalsContact CD2-CA 3.49Å; F648-D656 HydrophobicContact CD2-CB 3.99Å; F648-D656 HydrophobicContact CE2-CB 3.7Å; F648-D656 WeakPolarHBondContact CE2-OD1 3.39Å; M653-D656 WeakPolarHBondContact CE-OD2 3.25Å; M653-D656 WeakPolarHBondContact O-CB 3.46Å; D654-D656 PolarHBondContact O-N 3.39Å; D656-S770 VanDerWaalsContact CB-OG 3.28Å; D656-S770 WeakPolarHBondContact CB-OG 3.05Å; D656-S770 WeakPolarHBondContact OD2-CA 3.43Å; D656-S770 VanDerWaalsContact OD2-CB 3.32Å; D656-S770 WeakPolarHBondContact OD2-CB 3.37Å; D656-S770 PolarHBondContact OD2-OG 3.1Å; D656-T785 PolarHBondContact O-OG1 3.31Å
657	V	95.3	Very high	91	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	24%	0.236	C	C	.	.			trans	-147.7	143.2	179.8	69.3	0	0	0	0	111.2	L605 T606 H645 H655 V768 T785 V790 W793	L605-V657 HydrophobicContact CD1-CG2 3.47Å; L605-V657 VanDerWaalsContact CD1-CG2 3.47Å; L605-V657 HydrophobicContact CD2-CG2 4.45Å; L605-V657 HydrophobicContact CG-CG2 3.92Å; T606-V657 CarbonylContact O-C 3.47Å; T606-V657 WeakPolarHBondContact O-CA 3.25Å; H645-V657 HydrophobicContact CB-CG1 3.77Å; H645-V657 VanDerWaalsContact CB-O 3.29Å; H645-V657 WeakPolarHBondContact CB-O 3.48Å; H645-V657 PolarHBondContact N-O 2.83Å; H655-V657 PolarHBondContact O-N 2.97Å; V657-V768 HydrophobicContact CG2-CG2 4.43Å; V657-T785 HydrophobicContact CB-CG2 4.13Å; V657-T785 HydrophobicContact CG1-CG2 4.42Å; V657-V790 HydrophobicContact CG1-CB 4.32Å; V657-V790 HydrophobicContact CG1-CG1 4.01Å; V657-V790 HydrophobicContact CG1-CG2 4.34Å; V657-W793 HydrophobicContact CG1-CE3 4.42Å; V657-W793 HydrophobicContact CG1-CH2 4.47Å; V657-W793 HydrophobicContact CG1-CZ3 3.94Å; V657-W793 HydrophobicContact CG2-CZ3 4.31Å
658	A	95.2	Very high	90.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	146.1	174.6	0	0	0	0	0	110.7	T606 A608 F611 I643 V644	T606-A658 HydrophobicContact CG2-CB 4.34Å; T606-A658 PolarHBondContact N-O 3.23Å; T606-A658 PolarHBondContact O-N 2.96Å; A608-A658 HydrophobicContact CB-CB 4.49Å; F611-A658 HydrophobicContact CD2-CB 3.98Å; F611-A658 HydrophobicContact CE2-CB 3.79Å; I643-A658 CarbonylContact O-C 3.56Å; I643-A658 VanDerWaalsContact O-CA 3.26Å; I643-A658 WeakPolarHBondContact O-CA 3.47Å; V644-A658 HydrophobicContact CG2-CB 4.28Å
659	L	95.4	Very high	89.7	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	138.1	170	-75	171.1	0	0	0	109.4	I599 W603 L604 L605 I643 W793 H797 L798	I599-L659 HydrophobicContact CD1-CD2 3.66Å; W603-L659 HydrophobicContact CE3-CB 4.17Å; W603-L659 HydrophobicContact CZ3-CB 4.12Å; L604-L659 WeakPolarHBondContact O-CA 3.41Å; L605-L659 HydrophobicContact CD1-CD2 3.66Å; L605-L659 HydrophobicContact CD1-CG 4.34Å; I643-L659 HydrophobicContact CB-CB 4.32Å; I643-L659 PolarHBondContact N-O 2.92Å; I643-L659 PolarHBondContact O-N 2.9Å; L659-W793 HydrophobicContact CB-CH2 4.07Å; L659-W793 HydrophobicContact CD1-CE3 4.35Å; L659-W793 HydrophobicContact CD1-CH2 3.75Å; L659-W793 HydrophobicContact CD1-CZ2 4.16Å; L659-W793 HydrophobicContact CD1-CZ3 3.85Å; L659-W793 HydrophobicContact CG-CH2 3.54Å; L659-W793 HydrophobicContact CG-CZ2 4.35Å; L659-W793 HydrophobicContact CG-CZ3 3.68Å; L659-H797 HydrophobicContact CD1-CB 3.94Å; L659-L798 HydrophobicContact CD1-CD1 4.28Å; L659-L798 HydrophobicContact CD2-CD1 4.25Å
660	V	95	Very high	89	Confident	0 Å²	0	44 Å²	44	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	122.6	178.9	-174.7	0	0	0	0	108.8	W603 L604 T606 F611 I639 V642	W603-V660 WeakPolarHBondContact CA-O 3.35Å; L604-V660 HydrophobicContact CB-CB 4.18Å; L604-V660 HydrophobicContact CD1-CB 4.3Å; L604-V660 HydrophobicContact CD1-CG1 4.31Å; L604-V660 PolarHBondContact N-O 3.26Å; L604-V660 PolarHBondContact O-N 3.44Å; T606-V660 HydrophobicContact CG2-CG2 3.83Å; F611-V660 HydrophobicContact CE2-CG2 4.09Å; F611-V660 HydrophobicContact CZ-CG2 3.64Å; I639-V660 HydrophobicContact CB-CG1 4.14Å; I639-V660 HydrophobicContact CD1-CG1 3.57Å; I639-V660 HydrophobicContact CG1-CG1 3.56Å; I639-V660 HydrophobicContact CG2-CG1 3.47Å; I639-V660 VanDerWaalsContact CG2-CG1 3.47Å; V642-V660 HydrophobicContact CG2-CG1 4.48Å
661	E	94.5	Very high	88.7	Confident	25 Å²	25	42.6 Å²	42.6	12%	0.117	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	127.3	178.6	-171.8	175.8	-178.1	0	0	109.9	W603 Q640 R641	W603-E661 HydrophobicContact CE3-CB 4.16Å; W603-E661 HydrophobicContact CH2-CB 4.23Å; W603-E661 HydrophobicContact CH2-CG 4.36Å; W603-E661 HydrophobicContact CZ2-CG 4.31Å; W603-E661 HydrophobicContact CZ3-CB 3.97Å; Q640-E661 HydrophobicContact CB-CG 4.46Å; Q640-E661 PolarHBondContact N-O 3.49Å; R641-E661 HydrophobicContact CB-CB 4.17Å; R641-E661 IonicContact CZ-OE2 2.65Å; R641-E661 VanDerWaalsContact CZ-OE2 3.32Å; R641-E661 PolarHBondContact N-O 2.91Å; R641-E661 IonicContact NE-OE2 3.13Å; R641-E661 PolarHBondContact NE-OE2 3.24Å; R641-E661 IonicContact NH2-OE2 2.56Å; R641-E661 PolarHBondContact NH2-OE2 3.41Å; R641-E661 PolarHBondContact O-N 2.9Å
662	L	94	Very high	88.7	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	138.7	178.3	-59.6	-180	0	0	0	111.2	L598 K602 L604 V622 I637 V664 A666	L598-L662 HydrophobicContact CD1-CD1 4.38Å; K602-L662 PolarHBondContact O-N 2.97Å; L604-L662 HydrophobicContact CD1-CD2 3.72Å; L604-L662 HydrophobicContact CG-CD2 4.07Å; L604-L662 HydrophobicContact CG-CG 4.41Å; V622-L662 HydrophobicContact CG1-CD2 3.45Å; V622-L662 VanDerWaalsContact CG1-CD2 3.45Å; I637-L662 HydrophobicContact CB-CD2 4.4Å; I637-L662 HydrophobicContact CD1-CD1 4.19Å; I637-L662 HydrophobicContact CG2-CB 4.02Å; I637-L662 HydrophobicContact CG2-CD2 4.1Å; I637-L662 HydrophobicContact CG2-CG 4.47Å; L662-V664 VanDerWaalsContact CB-O 3.27Å; L662-V664 WeakPolarHBondContact CB-O 3.47Å; L662-V664 PolarHBondContact O-N 3.09Å; L662-A666 HydrophobicContact CD1-CB 4.03Å
663	A	91.3	Very high	88.8	Confident	42 Å²	42	35.6 Å²	35.6	35%	0.347	20%	0.202	S	C	.	.	S	Bend	trans	-61.3	-31.3	175.6	0	0	0	0	0	113.1	P638 Q640	P638-A663 HydrophobicContact CB-CB 4.25Å; P638-A663 VanDerWaalsContact O-CB 3.31Å; P638-A663 WeakPolarHBondContact O-CB 3.26Å; P638-A663 PolarHBondContact O-N 2.92Å; Q640-A663 HydrophobicContact CB-CB 4.32Å
664	V	90.6	Very high	89	Confident	81 Å²	81	35 Å²	35	49%	0.491	20%	0.201	S	C	.	.	S	Bend	trans	-132.2	144.5	172.7	-68.1	0	0	0	0	110	I637 L662 A666	I637-V664 HydrophobicContact CG2-CG2 3.68Å; L662-V664 VanDerWaalsContact CB-O 3.27Å; L662-V664 WeakPolarHBondContact CB-O 3.47Å; L662-V664 PolarHBondContact O-N 3.09Å; V664-A666 PolarHBondContact O-N 3.44Å
665	P	88.9	Confident	89.1	Confident	70 Å²	70	33.9 Å²	33.9	46%	0.455	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-55.9	135.3	172.9	-17.8	27.1	0	0	0	111.5	N601 K602	N601-P665 CarbonylContact O-C 3.58Å; N601-P665 WeakPolarHBondContact O-CA 3.22Å; K602-P665 HydrophobicContact CD-CG 4.15Å; K602-P665 HydrophobicContact CG-CB 3.95Å; K602-P665 HydrophobicContact CG-CG 3.87Å
666	A	87.6	Confident	89	Confident	6 Å²	6	32 Å²	32	5%	0.05	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-67.4	127.5	170.2	0	0	0	0	0	109.7	L598 N601 L624 I637 L662 V664 I672	L598-A666 HydrophobicContact CD1-CB 4.4Å; L598-A666 HydrophobicContact CD2-CB 4.46Å; N601-A666 WeakPolarHBondContact O-CB 3.31Å; N601-A666 PolarHBondContact O-N 3.23Å; L624-A666 HydrophobicContact CD1-CB 3.88Å; I637-A666 HydrophobicContact CD1-CB 3.94Å; L662-A666 HydrophobicContact CD1-CB 4.03Å; V664-A666 PolarHBondContact O-N 3.44Å; A666-I672 HydrophobicContact CB-CG2 4.04Å
667	P	83.1	Confident	88.9	Confident	73 Å²	73	32.6 Å²	32.6	47%	0.474	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-69.1	136.4	176.3	29.3	-33.5	0	0	0	110.2	L635 S669	L635-P667 HydrophobicContact CD2-CG 3.55Å; P667-S669 PolarHBondContact O-N 3.35Å
668	V	79.8	Confident	88.6	Confident	114 Å²	114	32.6 Å²	32.6	69%	0.691	19%	0.189	S	C	*	.	P	Polyproline II helix	trans	-71.8	128.8	175.9	-178.3	0	0	0	0	109.1
669	S	77.2	Confident	88.1	Confident	42 Å²	42	32.7 Å²	32.7	29%	0.294	19%	0.19	S	C	.	.	B	Isolated β-bridge	trans	-151.3	178	175.7	67	0	0	0	0	110	P667 T671 I672 Q673	P667-S669 PolarHBondContact O-N 3.35Å; S669-T671 PolarHBondContact O-N 2.97Å; S669-T671 PolarHBondContact OG-N 3.49Å; S669-T671 PolarHBondContact OG-OG1 2.87Å; S669-I672 PolarHBondContact N-O 1.99Å; S669-I672 CarbonylContact O-C 3.54Å; S669-I672 PolarHBondContact O-N 2.89Å; S669-I672 PolarHBondContact OG-N 2.59Å; S669-Q673 WeakPolarHBondContact O-CG 3.39Å; S669-Q673 PolarHBondContact O-NE2 3.41Å
670	Y	75.8	Confident	87.3	Confident	134 Å²	134	36.5 Å²	36.5	53%	0.525	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-14.8	175	79.5	-83.7	0	0	0	113.6	P562	P562-Y670 WeakPolarHBondContact CG-O 3.23Å
671	T	78.2	Confident	86.5	Confident	14 Å²	14	39.5 Å²	39.5	9%	0.086	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-8.9	177.4	58.1	0	0	0	0	113.9	R577 P581 G625 S669	R577-T671 HydrophobicContact CG-CG2 3.95Å; P581-T671 WeakPolarHBondContact CA-O 3.35Å; G625-T671 WeakPolarHBondContact CA-O 3.45Å; S669-T671 PolarHBondContact O-N 2.97Å; S669-T671 PolarHBondContact OG-N 3.49Å; S669-T671 PolarHBondContact OG-OG1 2.87Å
672	I	86.1	Confident	86	Confident	9 Å²	9	38.9 Å²	38.9	5%	0.046	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-136	103.1	-176.6	-55.4	178.2	0	0	0	107.8	P581 L598 L624 L635 A666 S669	P581-I672 WeakPolarHBondContact O-CA 3.32Å; L598-I672 HydrophobicContact CD2-CG2 3.75Å; L624-I672 HydrophobicContact CB-CD1 3.98Å; L624-I672 HydrophobicContact CB-CG1 4.18Å; L624-I672 HydrophobicContact CB-CG2 4.49Å; L624-I672 HydrophobicContact CD1-CG2 4.28Å; L635-I672 HydrophobicContact CB-CD1 4.01Å; L635-I672 HydrophobicContact CD2-CD1 4Å; A666-I672 HydrophobicContact CB-CG2 4.04Å; S669-I672 PolarHBondContact N-O 1.99Å; S669-I672 CarbonylContact O-C 3.54Å; S669-I672 PolarHBondContact O-N 2.89Å; S669-I672 PolarHBondContact OG-N 2.59Å
673	Q	90.1	Very high	85.4	Confident	36 Å²	36	43.8 Å²	43.8	17%	0.168	26%	0.256	C	S	.	.			trans	-148.1	146.2	-180	-56.6	-174.1	-1.5	0	0	109.4	V560 P581 W582 S669	V560-Q673 PolarHBondContact O-OE1 3.38Å; P581-Q673 CarbonylContact C-O 3.4Å; P581-Q673 HydrophobicContact CB-CB 3.94Å; P581-Q673 HydrophobicContact CB-CG 4.08Å; P581-Q673 HydrophobicContact CG-CB 3.91Å; P581-Q673 HydrophobicContact CG-CG 4.27Å; P581-Q673 PolarHBondContact O-N 3.31Å; W582-Q673 WeakPolarHBondContact CA-O 3.35Å; W582-Q673 VanDerWaalsContact CB-O 3.26Å; W582-Q673 WeakPolarHBondContact CB-O 3.23Å; W582-Q673 PolarHBondContact N-O 3.44Å; S669-Q673 WeakPolarHBondContact O-CG 3.39Å; S669-Q673 PolarHBondContact O-NE2 3.41Å
674	P	92	Very high	85.2	Confident	22 Å²	22	43.3 Å²	43.3	14%	0.143	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-75.9	151.2	178.3	31.1	-33.9	0	0	0	112.4	C558 G559 L598	C558-P674 HydrophobicContact CB-CG 4.4Å; G559-P674 PolarHBondContact N-O 2.88Å; L598-P674 HydrophobicContact CG-CB 4.45Å; L598-P674 CarbonylContact O-C 3.56Å; L598-P674 VanDerWaalsContact O-CA 3.24Å; L598-P674 WeakPolarHBondContact O-CA 3.27Å
675	V	94	Very high	84.7	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.006	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-86.3	152.1	167	71.2	0	0	0	0	110.3	W582 T597 L598 I599 T755 W763 I765	W582-V675 HydrophobicContact CB-CB 4Å; W582-V675 HydrophobicContact CD2-CB 3.78Å; W582-V675 HydrophobicContact CD2-CG2 4.11Å; W582-V675 HydrophobicContact CE3-CB 4.1Å; W582-V675 HydrophobicContact CE3-CG2 4.42Å; W582-V675 HydrophobicContact CG-CB 3.75Å; W582-V675 HydrophobicContact CG-CG2 4.43Å; W582-V675 HydrophobicContact CZ2-CG2 4.37Å; T597-V675 HydrophobicContact CG2-CB 4.39Å; T597-V675 HydrophobicContact CG2-CG1 3.52Å; L598-V675 PolarHBondContact O-N 3.3Å; I599-V675 HydrophobicContact CG2-CG1 4.19Å; V675-T755 HydrophobicContact CG2-CG2 3.94Å; V675-W763 HydrophobicContact CG2-CB 4.43Å; V675-W763 VanDerWaalsContact CG2-O 3.28Å; V675-W763 WeakPolarHBondContact CG2-O 3.23Å; V675-I765 HydrophobicContact CG1-CB 3.91Å; V675-I765 HydrophobicContact CG1-CG2 4.01Å; V675-I765 HydrophobicContact CG2-CB 4.39Å
676	C	91.8	Very high	83.9	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.014	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-72.4	140.3	175.8	-62.8	0	0	0	0	111.8	C558 G559 W763 F764 I765	C558-C676 HydrophobicContact CB-CB 4.03Å; C558-C676 WeakPolarHBondContact CB-SG 3.41Å; C558-C676 PolarHBondContact O-SG 2.64Å; C558-C676 WeakPolarHBondContact SG-CA 3.48Å; C558-C676 WeakPolarHBondContact SG-CB 3.5Å; C558-C676 CovalentContact SG-SG 2.05Å; C558-C676 PolarHBondContact SG-SG 3.36Å; G559-C676 PolarHBondContact N-SG 3.4Å; C676-W763 WeakPolarHBondContact CB-O 3.46Å; C676-W763 PolarHBondContact N-O 3.43Å; C676-W763 VanDerWaalsContact N-O 3.1Å; C676-F764 HydrophobicContact CB-CD1 3.47Å; C676-F764 VanDerWaalsContact CB-CD1 3.47Å; C676-F764 HydrophobicContact CB-CD2 4.48Å; C676-F764 HydrophobicContact CB-CE1 3.53Å; C676-F764 HydrophobicContact CB-CG 3.99Å; C676-F764 HydrophobicContact CB-CZ 4.09Å; C676-F764 VanDerWaalsContact O-CA 3.32Å; C676-F764 WeakPolarHBondContact O-CA 3.3Å; C676-I765 PolarHBondContact O-N 2.6Å
677	L	90.5	Very high	83.2	Confident	14 Å²	14	54.1 Å²	54.1	7%	0.073	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-86	134.2	170.2	-75.4	166.2	0	0	0	109.3	I599 I765 V787 I794 F800	I599-L677 HydrophobicContact CB-CD1 4.3Å; I599-L677 HydrophobicContact CB-CD2 4.29Å; I599-L677 HydrophobicContact CB-CG 4.26Å; I599-L677 HydrophobicContact CD1-CD1 4.32Å; I599-L677 HydrophobicContact CG2-CD2 4.01Å; I599-L677 HydrophobicContact CG2-CG 4.44Å; L677-I765 HydrophobicContact CD2-CG2 3.88Å; L677-V787 HydrophobicContact CD2-CG1 4.13Å; L677-I794 HydrophobicContact CD1-CG2 3.97Å; L677-I794 HydrophobicContact CD2-CD1 4.1Å; L677-F800 HydrophobicContact CD1-CE1 3.93Å; L677-F800 HydrophobicContact CD1-CE2 4.1Å; L677-F800 HydrophobicContact CD1-CZ 3.29Å
678	P	89.9	Confident	83.1	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-70.8	152.9	176.3	29.6	-34.7	0	0	0	111.2	H682 F684 F764 I765 V787 T788 R791	P678-H682 HydrophobicContact CB-CB 3.62Å; P678-F684 HydrophobicContact CB-CE2 4.15Å; P678-F684 HydrophobicContact CB-CZ 3.86Å; P678-F684 HydrophobicContact CG-CE2 4.33Å; P678-F684 HydrophobicContact CG-CZ 4.19Å; P678-F764 HydrophobicContact CB-CD1 4.42Å; P678-I765 WeakPolarHBondContact CD-O 3.11Å; P678-I765 VanDerWaalsContact CG-O 3.31Å; P678-I765 WeakPolarHBondContact CG-O 3.11Å; P678-V787 HydrophobicContact CG-CB 4.17Å; P678-V787 HydrophobicContact CG-CG1 3.9Å; P678-T788 HydrophobicContact CB-CG2 3.94Å; P678-T788 HydrophobicContact CG-CG2 3.9Å; P678-R791 WeakPolarHBondContact O-CD 3.37Å; P678-R791 WeakPolarHBondContact O-CG 3.32Å; P678-R791 PolarHBondContact O-NE 3.01Å
679	S	83.7	Confident	83.3	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.007	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-63.6	157.5	164.8	90.6	0	0	0	0	110.2	E540 V681 H682 T788	E540-S679 WeakPolarHBondContact OE2-CA 3.42Å; E540-S679 WeakPolarHBondContact OE2-CB 3.29Å; S679-V681 PolarHBondContact O-N 3.41Å; S679-V681 VanDerWaalsContact O-N 3.09Å; S679-V681 WeakPolarHBondContact OG-CG2 3.4Å; S679-V681 PolarHBondContact OG-N 2.96Å; S679-H682 VanDerWaalsContact O-CB 3.31Å; S679-H682 WeakPolarHBondContact O-CB 3.43Å; S679-H682 PolarHBondContact O-N 2.79Å; S679-H682 PolarHBondContact OG-N 2.71Å; S679-H682 VanDerWaalsContact OG-N 3.11Å; S679-T788 WeakPolarHBondContact O-CG2 3.34Å
680	P	80.3	Confident	83.9	Confident	80 Å²	80	48 Å²	48	52%	0.519	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-22.6	176.3	-23.3	33.5	0	0	0	114.1	R791	P680-R791 HydrophobicContact CG-CB 4.22Å; P680-R791 HydrophobicContact CG-CG 3.78Å
681	V	78.1	Confident	84.6	Confident	63 Å²	63	42 Å²	42	38%	0.382	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	9.3	-179.2	-61.8	0	0	0	0	112.5	S679 L683	S679-V681 PolarHBondContact O-N 3.41Å; S679-V681 VanDerWaalsContact O-N 3.09Å; S679-V681 WeakPolarHBondContact OG-CG2 3.4Å; S679-V681 PolarHBondContact OG-N 2.96Å; V681-L683 PolarHBondContact O-N 2.85Å
682	H	82.9	Confident	85.2	Confident	12 Å²	12	41.8 Å²	41.8	6%	0.056	22%	0.223	C	C	.	.			trans	-66.5	128.6	-179.2	-165.5	115.7	0	0	0	110.5	N538 P678 S679 F684 H758 F764 T788	N538-H682 PolarHBondContact ND2-NE2 3.49Å; N538-H682 WeakPolarHBondContact OD1-CA 3.27Å; P678-H682 HydrophobicContact CB-CB 3.62Å; S679-H682 VanDerWaalsContact O-CB 3.31Å; S679-H682 WeakPolarHBondContact O-CB 3.43Å; S679-H682 PolarHBondContact O-N 2.79Å; S679-H682 PolarHBondContact OG-N 2.71Å; S679-H682 VanDerWaalsContact OG-N 3.11Å; H682-F684 AromaticContact CD2-CD1 3.93Å; H682-F684 AromaticContact CD2-CE1 3.61Å; H682-F684 AromaticContact CD2-CE2 3.92Å; H682-F684 AromaticContact CD2-CZ 3.61Å; H682-F684 AromaticContact NE2-CD1 3.98Å; H682-F684 AromaticContact NE2-CE1 3.55Å; H682-F684 AromaticContact NE2-CZ 3.95Å; H682-H758 AromaticContact CE1-CD2 3.95Å; H682-F764 AromaticContact CE1-CD2 3.93Å; H682-F764 AromaticContact CE1-CG 3.93Å; H682-T788 HydrophobicContact CB-CG2 4.2Å
683	L	82.1	Confident	85.3	Confident	104 Å²	104	41.6 Å²	41.6	55%	0.545	22%	0.222	S	C	.	.			trans	-102.9	122.4	-179.8	-68.2	171.2	0	0	0	110.5	V537 N538 V681	V537-L683 HydrophobicContact CG1-CB 4.46Å; V537-L683 HydrophobicContact CG1-CD1 4.4Å; N538-L683 PolarHBondContact ND2-O 2.87Å; N538-L683 VanDerWaalsContact ND2-O 3.11Å; N538-L683 PolarHBondContact OD1-N 3.3Å; V681-L683 PolarHBondContact O-N 2.85Å
684	F	86.1	Confident	85.2	Confident	32 Å²	32	40 Å²	40	14%	0.14	22%	0.215	C	C	.	.			trans	-99.6	110.2	172.1	-62.1	-74.6	0	0	0	109.3	P678 H682 I715 C756 F764 A766 T788	P678-F684 HydrophobicContact CB-CE2 4.15Å; P678-F684 HydrophobicContact CB-CZ 3.86Å; P678-F684 HydrophobicContact CG-CE2 4.33Å; P678-F684 HydrophobicContact CG-CZ 4.19Å; H682-F684 AromaticContact CD2-CD1 3.93Å; H682-F684 AromaticContact CD2-CE1 3.61Å; H682-F684 AromaticContact CD2-CE2 3.92Å; H682-F684 AromaticContact CD2-CZ 3.61Å; H682-F684 AromaticContact NE2-CD1 3.98Å; H682-F684 AromaticContact NE2-CE1 3.55Å; H682-F684 AromaticContact NE2-CZ 3.95Å; F684-I715 HydrophobicContact CB-CG1 4.23Å; F684-C756 HydrophobicContact CD1-CB 3.7Å; F684-C756 HydrophobicContact CE1-CB 3.91Å; F684-F764 HydrophobicContact CE1-CB 3.99Å; F684-F764 HydrophobicContact CZ-CB 4.11Å; F684-A766 HydrophobicContact CD1-CB 3.98Å; F684-A766 HydrophobicContact CD2-CB 3.78Å; F684-A766 HydrophobicContact CE1-CB 3.83Å; F684-A766 HydrophobicContact CE2-CB 3.63Å; F684-A766 HydrophobicContact CG-CB 3.94Å; F684-A766 HydrophobicContact CZ-CB 3.65Å; F684-T788 HydrophobicContact CE2-CG2 4.04Å
685	L	79.6	Confident	84.7	Confident	121 Å²	121	39 Å²	39	63%	0.634	21%	0.209	S	C	*	.			trans	-80.1	154.4	-178.3	-57.6	173.5	0	0	0	111.2	N687 S688	L685-N687 PolarHBondContact O-N 3.37Å; L685-N687 VanDerWaalsContact O-N 3.17Å; L685-S688 PolarHBondContact N-OG 3.03Å; L685-S688 VanDerWaalsContact N-OG 3.1Å; L685-S688 WeakPolarHBondContact O-CB 3.19Å; L685-S688 PolarHBondContact O-N 3.42Å; L685-S688 PolarHBondContact O-OG 3.05Å
686	E	73.3	Confident	83.9	Confident	103 Å²	103	39.1 Å²	39.1	48%	0.481	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-34.6	179.2	-63.5	179	173.7	0	0	113.7	S688	E686-S688 VanDerWaalsContact C-N 3.27Å; E686-S688 PolarHBondContact O-N 3.41Å
687	N	72.9	Confident	82.7	Confident	159 Å²	159	39.4 Å²	39.4	85%	0.85	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	5.9	179.8	-66.3	-33.1	0	0	0	113.8	L685	L685-N687 PolarHBondContact O-N 3.37Å; L685-N687 VanDerWaalsContact O-N 3.17Å
688	S	80.1	Confident	81.5	Confident	27 Å²	27	44 Å²	44	19%	0.189	24%	0.235	C	C	.	.	S	Bend	trans	-67.2	140.6	179	-54.5	0	0	0	0	110.7	L685 E686 C690	L685-S688 PolarHBondContact N-OG 3.03Å; L685-S688 VanDerWaalsContact N-OG 3.1Å; L685-S688 WeakPolarHBondContact O-CB 3.19Å; L685-S688 PolarHBondContact O-N 3.42Å; L685-S688 PolarHBondContact O-OG 3.05Å; E686-S688 VanDerWaalsContact C-N 3.27Å; E686-S688 PolarHBondContact O-N 3.41Å; S688-C690 PolarHBondContact O-N 2.64Å
689	E	85.2	Confident	80.1	Confident	70 Å²	70	51.3 Å²	51.3	33%	0.327	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	94.8	175.8	-177.4	-178.3	-163.5	0	0	109.5	Y691 C756 R757 W763	E689-Y691 HydrophobicContact CG-CD2 4.33Å; E689-Y691 HydrophobicContact CG-CE2 3.78Å; E689-C756 WeakPolarHBondContact O-CA 3.35Å; E689-R757 HydrophobicContact CB-CB 4.11Å; E689-R757 PolarHBondContact O-N 3.18Å; E689-R757 WeakPolarHBondContact OE2-CD 3.46Å; E689-R757 IonicContact OE2-NH1 2.92Å; E689-R757 PolarHBondContact OE2-NH1 2.97Å; E689-R757 VanDerWaalsContact OE2-NH1 3.13Å; E689-W763 HydrophobicContact CG-CH2 4.15Å
690	C	89.6	Confident	79.2	Confident	3 Å²	3	55.9 Å²	55.9	2%	0.02	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	144.7	-177.8	-56.3	0	0	0	0	113.2	S688 A712 V713 L754 T755 C756	S688-C690 PolarHBondContact O-N 2.64Å; C690-A712 WeakPolarHBondContact O-CA 3.43Å; C690-V713 HydrophobicContact CB-CG2 4.32Å; C690-V713 WeakPolarHBondContact CB-O 3.02Å; C690-V713 PolarHBondContact O-N 3.17Å; C690-L754 HydrophobicContact CB-CD1 4.21Å; C690-T755 CarbonylContact C-O 3.55Å; C690-T755 VanDerWaalsContact CA-O 3.29Å; C690-T755 WeakPolarHBondContact CA-O 3.35Å; C690-C756 HydrophobicContact CB-CB 4.13Å; C690-C756 WeakPolarHBondContact CB-SG 3.34Å; C690-C756 WeakPolarHBondContact SG-CB 3.4Å; C690-C756 CovalentContact SG-SG 2.04Å; C690-C756 PolarHBondContact SG-SG 3.18Å
691	Y	90.3	Very high	78.2	Confident	10 Å²	10	56.2 Å²	56.2	4%	0.039	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	141.2	-179.4	-79.2	-96	0	0	0	111.6	W580 E689 A711 A712 T755 W763	W580-Y691 VanDerWaalsContact CH2-CB 3.42Å; W580-Y691 HydrophobicContact CH2-CD1 4.18Å; W580-Y691 AromaticContact CH2-CD2 3.74Å; W580-Y691 HydrophobicContact CH2-CD2 3.74Å; W580-Y691 AromaticContact CH2-CG 3.52Å; W580-Y691 HydrophobicContact CH2-CG 3.52Å; W580-Y691 AromaticContact CZ2-CD1 3.8Å; W580-Y691 HydrophobicContact CZ2-CD1 3.8Å; W580-Y691 HydrophobicContact CZ2-CD2 4.13Å; W580-Y691 HydrophobicContact CZ2-CE1 4.42Å; W580-Y691 AromaticContact CZ2-CG 3.63Å; W580-Y691 HydrophobicContact CZ2-CG 3.63Å; E689-Y691 HydrophobicContact CG-CD2 4.33Å; E689-Y691 HydrophobicContact CG-CE2 3.78Å; Y691-A711 VanDerWaalsContact CA-O 3.29Å; Y691-A711 WeakPolarHBondContact CA-O 3.31Å; Y691-A712 HydrophobicContact CD1-CB 4.2Å; Y691-A712 HydrophobicContact CE1-CB 3.79Å; Y691-A712 HydrophobicContact CE2-CB 4.43Å; Y691-T755 PolarHBondContact N-O 3.13Å; Y691-T755 PolarHBondContact O-N 3.15Å; Y691-T755 PolarHBondContact O-OG1 2.99Å; Y691-W763 AromaticContact CD2-CH2 3.56Å; Y691-W763 HydrophobicContact CD2-CH2 3.56Å; Y691-W763 AromaticContact CD2-CZ3 3.8Å; Y691-W763 HydrophobicContact CD2-CZ3 3.8Å; Y691-W763 AromaticContact CE2-CH2 3.95Å; Y691-W763 HydrophobicContact CE2-CH2 3.95Å
692	I	89.6	Confident	77.5	Confident	8 Å²	8	54.3 Å²	54.3	4%	0.041	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	142.9	165.4	55.9	170.9	0	0	0	109.3	K710 A711 V713 T745 L754 Y784	I692-K710 CarbonylContact O-C 3.58Å; I692-K710 VanDerWaalsContact O-CA 3.22Å; I692-K710 WeakPolarHBondContact O-CA 3.46Å; I692-A711 HydrophobicContact CD1-CB 4.08Å; I692-A711 HydrophobicContact CG1-CB 3.81Å; I692-A711 WeakPolarHBondContact CG1-O 3.01Å; I692-A711 PolarHBondContact N-O 3.34Å; I692-A711 PolarHBondContact O-N 3.17Å; I692-V713 HydrophobicContact CD1-CG1 3.99Å; I692-V713 HydrophobicContact CG1-CG1 4.07Å; I692-V713 HydrophobicContact CG2-CG2 3.95Å; I692-T745 HydrophobicContact CB-CG2 4.03Å; I692-T745 HydrophobicContact CD1-CG2 3.62Å; I692-T745 HydrophobicContact CG1-CG2 4.39Å; I692-T745 HydrophobicContact CG2-CG2 4.11Å; I692-L754 HydrophobicContact CG2-CB 4.32Å; I692-L754 HydrophobicContact CG2-CD1 3.67Å; I692-Y784 HydrophobicContact CG2-CE1 3.92Å; I692-Y784 WeakPolarHBondContact CG2-OH 3.3Å
693	T	89.6	Confident	76.7	Confident	5 Å²	5	58.6 Å²	58.6	3%	0.031	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	139.3	-179.1	54.7	0	0	0	0	111.1	W580 Q709 K710	W580-T693 HydrophobicContact CB-CG2 4.26Å; W580-T693 HydrophobicContact CD2-CG2 3.59Å; W580-T693 HydrophobicContact CE3-CG2 4.2Å; W580-T693 HydrophobicContact CG-CG2 3.56Å; W580-T693 HydrophobicContact CZ2-CG2 4.46Å; T693-Q709 VanDerWaalsContact CA-O 3.31Å; T693-Q709 WeakPolarHBondContact CA-O 3.45Å; T693-K710 HydrophobicContact CG2-CB 3.79Å
694	G	86.5	Confident	76.3	Confident	2 Å²	2	56.2 Å²	56.2	2%	0.021	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.4	178.7	179.9	0	0	0	0	0	114.8	Q709 D749	G694-Q709 PolarHBondContact N-O 3.15Å; G694-Q709 PolarHBondContact O-N 3.07Å; G694-D749 WeakPolarHBondContact CA-OD1 3.36Å
695	W	83.4	Confident	75.7	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.008	32%	0.316	C	S	.	.	S	Bend	trans	-108.4	15	179.9	-66.5	-89.5	0	0	0	112.6	I583 G584 H592 V627 R629 T705 L708 D749	I583-W695 HydrophobicContact CD1-CZ3 4.48Å; I583-W695 HydrophobicContact CG1-CH2 3.94Å; I583-W695 HydrophobicContact CG1-CZ3 3.79Å; I583-W695 HydrophobicContact CG2-CH2 4.29Å; G584-W695 WeakPolarHBondContact O-CZ3 3.38Å; H592-W695 AromaticContact CE1-CE3 3.85Å; V627-W695 PolarHBondContact O-NE1 2.88Å; R629-W695 HydrophobicContact CB-CG 4.17Å; R629-W695 HydrophobicContact CG-CB 4.46Å; R629-W695 HydrophobicContact CG-CG 4.42Å; W695-T705 PolarHBondContact O-N 2.73Å; W695-T705 VanDerWaalsContact O-N 3.15Å; W695-T705 PolarHBondContact O-OG1 3.03Å; W695-L708 HydrophobicContact CD2-CD1 3.84Å; W695-L708 HydrophobicContact CE3-CD1 3.95Å; W695-L708 HydrophobicContact CH2-CD1 3.86Å; W695-L708 HydrophobicContact CZ2-CB 3.97Å; W695-L708 HydrophobicContact CZ2-CD1 3.74Å; W695-L708 HydrophobicContact CZ2-CD2 4.49Å; W695-L708 HydrophobicContact CZ2-CG 4.27Å; W695-L708 HydrophobicContact CZ3-CD1 3.96Å; W695-D749 PolarHBondContact N-OD1 2.87Å
696	G	76.9	Confident	75.3	Confident	3 Å²	3	53.4 Å²	53.4	3%	0.031	31%	0.305	C	S	.	.			trans	-63.4	171.5	178.4	0	0	0	0	0	113.1	T705 L747 D749	G696-T705 PolarHBondContact O-OG1 3.3Å; G696-L747 CarbonylContact C-O 3.59Å; G696-L747 WeakPolarHBondContact CA-O 3.41Å; G696-D749 VanDerWaalsContact CA-OD1 3.25Å; G696-D749 WeakPolarHBondContact CA-OD1 3.22Å; G696-D749 PolarHBondContact N-OD1 2.78Å
697	S	65	Low	75.4	Confident	8 Å²	8	52 Å²	52	6%	0.056	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-67	144.1	179.6	-161.6	0	0	0	0	111.8	K699 G702 S703 C746 L747	S697-K699 VanDerWaalsContact C-N 3.26Å; S697-K699 PolarHBondContact O-N 2.96Å; S697-K699 PolarHBondContact OG-O 2.86Å; S697-G702 WeakPolarHBondContact OG-CA 3.37Å; S697-G702 PolarHBondContact OG-O 2.9Å; S697-S703 PolarHBondContact OG-N 3.3Å; S697-S703 PolarHBondContact OG-O 2.84Å; S697-C746 WeakPolarHBondContact O-CB 3.48Å; S697-C746 PolarHBondContact O-SG 2.74Å; S697-C746 VanDerWaalsContact O-SG 3.34Å; S697-L747 PolarHBondContact N-O 3.03Å
698	M	66	Low	75.7	Confident	112 Å²	112	44.5 Å²	44.5	55%	0.552	26%	0.26	S	S	*	.	S	Bend	trans	-81.7	-5	178.5	-61	179.3	72	0	0	113.6	G572 T705 Q709	G572-M698 WeakPolarHBondContact O-CE 3.31Å; M698-T705 HydrophobicContact CG-CG2 3.58Å; M698-T705 HydrophobicContact SD-CG2 3.87Å; M698-Q709 HydrophobicContact CG-CG 4.44Å
699	K	60.9	Low	75.8	Confident	153 Å²	153	44.2 Å²	44.2	67%	0.665	26%	0.256	S	S	*	.	S	Bend	trans	-150.2	151.3	179.2	58.3	-179.7	179.1	176.6	0	110	S697 G701 G702	S697-K699 VanDerWaalsContact C-N 3.26Å; S697-K699 PolarHBondContact O-N 2.96Å; S697-K699 PolarHBondContact OG-O 2.86Å; K699-G701 PolarHBondContact O-N 2.87Å; K699-G702 PolarHBondContact O-N 3.47Å
700	E	64	Low	75.8	Confident	97 Å²	97	41.3 Å²	41.3	45%	0.453	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	127.5	175.2	-166.4	173.6	176.9	0	0	110.4	G702 G774 R777	E700-G702 VanDerWaalsContact C-N 3.27Å; E700-G702 PolarHBondContact O-N 2.74Å; E700-G774 WeakPolarHBondContact OE1-CA 3.44Å; E700-R777 IonicContact OE1-CZ 3.72Å; E700-R777 IonicContact OE1-NE 3.39Å; E700-R777 IonicContact OE1-NH2 3.8Å; E700-R777 PolarHBondContact OE1-NH2 3.44Å; E700-R777 IonicContact OE2-CZ 2.64Å; E700-R777 IonicContact OE2-NE 2.7Å; E700-R777 PolarHBondContact OE2-NE 2.95Å; E700-R777 IonicContact OE2-NH2 3.03Å; E700-R777 PolarHBondContact OE2-NH2 3.24Å
701	G	60.1	Low	75.3	Confident	87 Å²	87	41.8 Å²	41.8	90%	0.897	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	72	9.4	-176.8	0	0	0	0	0	116	K699	K699-G701 PolarHBondContact O-N 2.87Å
702	G	62.5	Low	75	Confident	22 Å²	22	42.2 Å²	42.2	23%	0.227	25%	0.252	C	S	.	.			trans	-81.7	175.1	175.9	0	0	0	0	0	114.2	S697 K699 E700	S697-G702 WeakPolarHBondContact OG-CA 3.37Å; S697-G702 PolarHBondContact OG-O 2.9Å; K699-G702 PolarHBondContact O-N 3.47Å; E700-G702 VanDerWaalsContact C-N 3.27Å; E700-G702 PolarHBondContact O-N 2.74Å
703	S	67.3	Low	74.8	Confident	102 Å²	102	41.9 Å²	41.9	71%	0.713	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-80.3	154.4	172.5	58.3	0	0	0	0	112	S697	S697-S703 PolarHBondContact OG-N 3.3Å; S697-S703 PolarHBondContact OG-O 2.84Å
704	L	73.8	Confident	74.8	Confident	54 Å²	54	45 Å²	45	28%	0.283	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-59.5	147.6	171.9	-63.9	177	0	0	0	111.5	L747	L704-L747 HydrophobicContact CD2-CD2 4.09Å; L704-L747 VanDerWaalsContact CD2-O 3.25Å; L704-L747 WeakPolarHBondContact CD2-O 3.48Å
705	T	72.5	Confident	75	Confident	19 Å²	19	45.8 Å²	45.8	12%	0.117	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-84	152	175.6	58.5	0	0	0	0	110.7	R629 W695 G696 M698 L707 Q709	R629-T705 WeakPolarHBondContact CD-O 3.4Å; R629-T705 PolarHBondContact NE-O 3.12Å; W695-T705 PolarHBondContact O-N 2.73Å; W695-T705 VanDerWaalsContact O-N 3.15Å; W695-T705 PolarHBondContact O-OG1 3.03Å; G696-T705 PolarHBondContact O-OG1 3.3Å; M698-T705 HydrophobicContact CG-CG2 3.58Å; M698-T705 HydrophobicContact SD-CG2 3.87Å; T705-L707 PolarHBondContact OG1-O 3.22Å; T705-L707 VanDerWaalsContact OG1-O 3.1Å; T705-Q709 HydrophobicContact CG2-CG 4.14Å
706	N	71.9	Confident	75.3	Confident	76 Å²	76	46.5 Å²	46.5	41%	0.406	27%	0.274	S	S	.	.	S	Bend	trans	-90.2	-18.7	172.5	-168.9	41.8	0	0	0	112.3	L628 R629	L628-N706 CarbonylContact C-O 3.02Å; L628-N706 WeakPolarHBondContact CA-O 3.32Å; R629-N706 PolarHBondContact N-O 2.03Å
707	L	74.4	Confident	75.8	Confident	72 Å²	72	50.2 Å²	50.2	38%	0.377	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-108.8	138.6	179.6	-70.3	164.2	0	0	0	109	T574 V627 L628 T705 Q709	T574-L707 HydrophobicContact CG2-CB 3.71Å; T574-L707 HydrophobicContact CG2-CD1 4.14Å; T574-L707 HydrophobicContact CG2-CD2 4.42Å; T574-L707 HydrophobicContact CG2-CG 4.31Å; V627-L707 CarbonylContact O-C 3.6Å; V627-L707 WeakPolarHBondContact O-CA 3.23Å; L628-L707 HydrophobicContact CD2-CD2 3.59Å; L628-L707 HydrophobicContact CD2-CG 4.44Å; T705-L707 PolarHBondContact OG1-O 3.22Å; T705-L707 VanDerWaalsContact OG1-O 3.1Å; L707-Q709 PolarHBondContact O-N 3.08Å; L707-Q709 PolarHBondContact O-NE2 2.79Å
708	L	80.8	Confident	76.9	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.016	30%	0.297	C	S	.	.			trans	-57.8	131.3	176.9	178.8	68	0	0	0	109.4	T574 A575 I583 V627 W695	T574-L708 CarbonylContact C-O 3.55Å; T574-L708 VanDerWaalsContact CA-O 3.3Å; T574-L708 WeakPolarHBondContact CA-O 3.4Å; A575-L708 HydrophobicContact CB-CB 4.1Å; A575-L708 HydrophobicContact CB-CD2 3.6Å; A575-L708 HydrophobicContact CB-CG 3.71Å; A575-L708 PolarHBondContact N-O 3Å; I583-L708 HydrophobicContact CG1-CD1 3.95Å; I583-L708 HydrophobicContact CG2-CD1 4.32Å; I583-L708 HydrophobicContact CG2-CD2 3.54Å; V627-L708 HydrophobicContact CB-CB 4.14Å; V627-L708 HydrophobicContact CG1-CB 4.38Å; V627-L708 HydrophobicContact CG1-CD2 4.44Å; V627-L708 PolarHBondContact O-N 3.37Å; W695-L708 HydrophobicContact CD2-CD1 3.84Å; W695-L708 HydrophobicContact CE3-CD1 3.95Å; W695-L708 HydrophobicContact CH2-CD1 3.86Å; W695-L708 HydrophobicContact CZ2-CB 3.97Å; W695-L708 HydrophobicContact CZ2-CD1 3.74Å; W695-L708 HydrophobicContact CZ2-CD2 4.49Å; W695-L708 HydrophobicContact CZ2-CG 4.27Å; W695-L708 HydrophobicContact CZ3-CD1 3.96Å
709	Q	82.4	Confident	77.8	Confident	21 Å²	21	53 Å²	53	10%	0.098	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	157.2	174.8	-55.2	-54.6	-48.2	0	0	110.6	V573 T574 T693 G694 M698 T705 L707	V573-Q709 CarbonylContact O-C 3.58Å; V573-Q709 VanDerWaalsContact O-CA 3.31Å; V573-Q709 WeakPolarHBondContact O-CA 3.11Å; V573-Q709 PolarHBondContact O-OE1 3.38Å; T574-Q709 PolarHBondContact OG1-NE2 3.38Å; T574-Q709 PolarHBondContact OG1-OE1 3.07Å; T693-Q709 VanDerWaalsContact CA-O 3.31Å; T693-Q709 WeakPolarHBondContact CA-O 3.45Å; G694-Q709 PolarHBondContact N-O 3.15Å; G694-Q709 PolarHBondContact O-N 3.07Å; M698-Q709 HydrophobicContact CG-CG 4.44Å; T705-Q709 HydrophobicContact CG2-CG 4.14Å; L707-Q709 PolarHBondContact O-N 3.08Å; L707-Q709 PolarHBondContact O-NE2 2.79Å
710	K	83.5	Confident	79	Confident	8 Å²	8	49.5 Å²	49.5	4%	0.035	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	146.4	171	68.8	-173	179.3	-170.6	0	110.2	G572 V573 A575 E579 W580 I692 T693	G572-K710 WeakPolarHBondContact CA-O 3.19Å; V573-K710 HydrophobicContact CG2-CD 4.19Å; V573-K710 HydrophobicContact CG2-CG 3.64Å; V573-K710 PolarHBondContact N-O 3.24Å; V573-K710 WeakPolarHBondContact O-CG 3.46Å; V573-K710 PolarHBondContact O-N 3.49Å; A575-K710 HydrophobicContact CB-CD 4.39Å; E579-K710 WeakPolarHBondContact OE1-CD 3.45Å; E579-K710 WeakPolarHBondContact OE1-CE 3.28Å; E579-K710 IonicContact OE1-NZ 3.91Å; E579-K710 PolarHBondContact OE1-NZ 2.75Å; E579-K710 IonicContact OE2-NZ 3.26Å; E579-K710 PolarHBondContact OE2-NZ 2.67Å; W580-K710 HydrophobicContact CZ2-CD 4.43Å; I692-K710 CarbonylContact O-C 3.58Å; I692-K710 VanDerWaalsContact O-CA 3.22Å; I692-K710 WeakPolarHBondContact O-CA 3.46Å; T693-K710 HydrophobicContact CG2-CB 3.79Å
711	A	80.8	Confident	80.2	Confident	13 Å²	13	44.9 Å²	44.9	11%	0.107	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	139.5	171.8	0	0	0	0	0	110.8	Y691 I692	Y691-A711 VanDerWaalsContact CA-O 3.29Å; Y691-A711 WeakPolarHBondContact CA-O 3.31Å; I692-A711 HydrophobicContact CD1-CB 4.08Å; I692-A711 HydrophobicContact CG1-CB 3.81Å; I692-A711 WeakPolarHBondContact CG1-O 3.01Å; I692-A711 PolarHBondContact N-O 3.34Å; I692-A711 PolarHBondContact O-N 3.17Å
712	A	83.4	Confident	81.5	Confident	19 Å²	19	43.5 Å²	43.5	16%	0.157	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	133.2	172.6	0	0	0	0	0	109.6	C690 Y691 F738 R743	C690-A712 WeakPolarHBondContact O-CA 3.43Å; Y691-A712 HydrophobicContact CD1-CB 4.2Å; Y691-A712 HydrophobicContact CE1-CB 3.79Å; Y691-A712 HydrophobicContact CE2-CB 4.43Å; A712-F738 WeakPolarHBondContact O-CE2 3.47Å; A712-R743 WeakPolarHBondContact O-CD 3.47Å; A712-R743 PolarHBondContact O-NH1 3.09Å
713	V	86.1	Confident	82.5	Confident	2 Å²	2	49 Å²	49	1%	0.012	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	157.7	-178.1	-65.7	0	0	0	0	109.9	C690 I692 A736 L754	C690-V713 HydrophobicContact CB-CG2 4.32Å; C690-V713 WeakPolarHBondContact CB-O 3.02Å; C690-V713 PolarHBondContact O-N 3.17Å; I692-V713 HydrophobicContact CD1-CG1 3.99Å; I692-V713 HydrophobicContact CG1-CG1 4.07Å; I692-V713 HydrophobicContact CG2-CG2 3.95Å; V713-A736 HydrophobicContact CB-CB 4.47Å; V713-A736 HydrophobicContact CG2-CB 4.02Å; V713-L754 HydrophobicContact CG2-CD1 3.51Å
714	N	88.7	Confident	83.3	Confident	71 Å²	71	45 Å²	45	38%	0.38	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	150.6	173.6	-67.1	1.5	0	0	0	109.6	A736 G737	N714-A736 CarbonylContact O-C 3.52Å; N714-A736 WeakPolarHBondContact O-CA 3.47Å; N714-A736 WeakPolarHBondContact O-CB 3.35Å; N714-G737 PolarHBondContact N-O 3.4Å; N714-G737 PolarHBondContact O-N 3.21Å
715	I	90.9	Very high	83.8	Confident	18 Å²	18	42.5 Å²	42.5	9%	0.092	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	135.2	166.7	-58.6	-51.4	0	0	0	107.8	F684 M734 A736 L754	F684-I715 HydrophobicContact CB-CG1 4.23Å; I715-M734 HydrophobicContact CD1-CE 3.6Å; I715-M734 HydrophobicContact CG1-CE 4.49Å; I715-M734 HydrophobicContact CG2-CE 4.2Å; I715-A736 HydrophobicContact CD1-CB 4.11Å; I715-L754 HydrophobicContact CD1-CD2 3.96Å
716	I	89.3	Confident	83.8	Confident	17 Å²	17	46.2 Å²	46.2	9%	0.087	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	135.8	176.1	-62.8	168.4	0	0	0	107.3	D720 C721 C735 M739 P781	I716-D720 HydrophobicContact CG2-CB 4.02Å; I716-C721 HydrophobicContact CG2-CB 4.21Å; I716-C735 HydrophobicContact CB-CB 4.15Å; I716-C735 PolarHBondContact N-O 3.45Å; I716-M739 HydrophobicContact CD1-CG 4.49Å; I716-M739 HydrophobicContact CD1-SD 4.07Å; I716-M739 HydrophobicContact CG2-SD 4.41Å; I716-P781 HydrophobicContact CD1-CB 3.33Å; I716-P781 HydrophobicContact CD1-CG 3.69Å
717	D	88.3	Confident	83.7	Confident	80 Å²	80	48.9 Å²	48.9	43%	0.428	27%	0.265	S	S	.	.			trans	-60.8	150.1	178.9	-163.7	9.8	0	0	0	111.4	E719 D720 C721	D717-E719 VanDerWaalsContact C-N 3.31Å; D717-E719 PolarHBondContact O-N 2.88Å; D717-D720 PolarHBondContact O-N 2.93Å; D717-C721 WeakPolarHBondContact O-CB 3.33Å; D717-C721 PolarHBondContact O-N 2.73Å
718	Q	86.8	Confident	83.9	Confident	30 Å²	30	50.5 Å²	50.5	14%	0.14	27%	0.271	C	S	.	.	H	α-helix	trans	-59.6	-44.4	-176.2	-172.2	71.5	23.4	0	0	110.8	C721 Q722 T730 M733	Q718-C721 PolarHBondContact O-N 3.2Å; Q718-Q722 WeakPolarHBondContact O-CB 3.41Å; Q718-Q722 PolarHBondContact O-N 3.16Å; Q718-T730 PolarHBondContact NE2-O 3.41Å; Q718-M733 PolarHBondContact OE1-O 3.1Å; Q718-M733 VanDerWaalsContact OE1-O 3.07Å
719	E	86.1	Confident	84.1	Confident	148 Å²	148	50.7 Å²	50.7	69%	0.692	27%	0.273	S	S	*	.	H	α-helix	trans	-61.9	-49.1	-178.8	-63.7	-172.4	178.9	0	0	111.4	D717 C721 Q722 L723	D717-E719 VanDerWaalsContact C-N 3.31Å; D717-E719 PolarHBondContact O-N 2.88Å; E719-C721 VanDerWaalsContact C-N 3.33Å; E719-C721 PolarHBondContact O-N 3.22Å; E719-Q722 WeakPolarHBondContact O-CB 3.06Å; E719-Q722 PolarHBondContact O-N 2.93Å; E719-Q722 VanDerWaalsContact O-N 3.09Å; E719-L723 PolarHBondContact O-N 3.18Å
720	D	86.6	Confident	84.4	Confident	81 Å²	81	51 Å²	51	43%	0.433	28%	0.276	S	S	.	.	H	α-helix	trans	-60.9	-41.7	177.5	-76.4	-20.9	0	0	0	111.9	I716 D717 Q722 L723	I716-D720 HydrophobicContact CG2-CB 4.02Å; D717-D720 PolarHBondContact O-N 2.93Å; D720-Q722 VanDerWaalsContact C-N 3.3Å; D720-Q722 PolarHBondContact O-N 3.44Å; D720-L723 WeakPolarHBondContact O-CB 3.4Å; D720-L723 PolarHBondContact O-N 2.04Å
721	C	87.3	Confident	84.6	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-68.1	-32.3	176.6	-162.5	0	0	0	0	112.5	I716 D717 Q718 E719 L723 S724 Y725 L729 C735	I716-C721 HydrophobicContact CG2-CB 4.21Å; D717-C721 WeakPolarHBondContact O-CB 3.33Å; D717-C721 PolarHBondContact O-N 2.73Å; Q718-C721 PolarHBondContact O-N 3.2Å; E719-C721 VanDerWaalsContact C-N 3.33Å; E719-C721 PolarHBondContact O-N 3.22Å; C721-L723 VanDerWaalsContact C-N 3.28Å; C721-L723 PolarHBondContact O-N 3.34Å; C721-S724 WeakPolarHBondContact O-CB 3.35Å; C721-S724 PolarHBondContact O-N 3.42Å; C721-Y725 WeakPolarHBondContact O-CD2 3.37Å; C721-Y725 PolarHBondContact O-N 3.48Å; C721-L729 HydrophobicContact CB-CD1 3.82Å; C721-L729 WeakPolarHBondContact O-CD1 3.38Å; C721-L729 WeakPolarHBondContact SG-CD1 3.11Å; C721-C735 HydrophobicContact CB-CB 3.53Å; C721-C735 WeakPolarHBondContact CB-SG 3.41Å; C721-C735 WeakPolarHBondContact SG-CB 3.47Å; C721-C735 CovalentContact SG-SG 1.99Å; C721-C735 PolarHBondContact SG-SG 3.18Å
722	Q	87.4	Confident	85.1	Confident	57 Å²	57	55.8 Å²	55.8	27%	0.266	31%	0.307	S	S	.	.	H	α-helix	trans	-66.9	-32.1	179.3	-139.7	144.7	-14.9	0	0	112.2	Q718 E719 D720 S724 Y725 S726 L729	Q718-Q722 WeakPolarHBondContact O-CB 3.41Å; Q718-Q722 PolarHBondContact O-N 3.16Å; E719-Q722 WeakPolarHBondContact O-CB 3.06Å; E719-Q722 PolarHBondContact O-N 2.93Å; E719-Q722 VanDerWaalsContact O-N 3.09Å; D720-Q722 VanDerWaalsContact C-N 3.3Å; D720-Q722 PolarHBondContact O-N 3.44Å; Q722-S724 VanDerWaalsContact C-N 3.29Å; Q722-S724 PolarHBondContact O-N 3.27Å; Q722-Y725 PolarHBondContact O-N 3.16Å; Q722-S726 PolarHBondContact O-N 3.28Å; Q722-L729 HydrophobicContact CG-CB 4.43Å; Q722-L729 PolarHBondContact NE2-O 3.22Å
723	L	85.2	Confident	85.5	Confident	137 Å²	137	55 Å²	55	72%	0.717	30%	0.3	S	S	*	.	H	α-helix	trans	-61	-38.4	172.9	-64.3	174.4	0	0	0	111.8	E719 D720 C721	E719-L723 PolarHBondContact O-N 3.18Å; D720-L723 WeakPolarHBondContact O-CB 3.4Å; D720-L723 PolarHBondContact O-N 2.04Å; C721-L723 VanDerWaalsContact C-N 3.28Å; C721-L723 PolarHBondContact O-N 3.34Å
724	S	84.3	Confident	85.8	Confident	18 Å²	18	55 Å²	55	13%	0.126	30%	0.3	C	S	.	.	H	α-helix	trans	-67	-35.4	176.8	-67.3	0	0	0	0	113.4	C721 Q722 M739 G779 F780	C721-S724 WeakPolarHBondContact O-CB 3.35Å; C721-S724 PolarHBondContact O-N 3.42Å; Q722-S724 VanDerWaalsContact C-N 3.29Å; Q722-S724 PolarHBondContact O-N 3.27Å; S724-M739 WeakPolarHBondContact OG-CE 3.25Å; S724-G779 WeakPolarHBondContact CB-O 3.44Å; S724-G779 PolarHBondContact OG-O 3.02Å; S724-F780 WeakPolarHBondContact O-CE1 3.22Å
725	Y	82.6	Confident	86	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.008	28%	0.282	C	S	.	.	H	α-helix	trans	-111.7	12	-169.9	-70.6	-81.4	0	0	0	114.7	C721 Q722 N727 M728 L729 W771 H773 F780 P781 V783	C721-Y725 WeakPolarHBondContact O-CD2 3.37Å; C721-Y725 PolarHBondContact O-N 3.48Å; Q722-Y725 PolarHBondContact O-N 3.16Å; Y725-N727 PolarHBondContact O-N 3.25Å; Y725-M728 PolarHBondContact O-N 2.96Å; Y725-M728 VanDerWaalsContact O-N 3.16Å; Y725-L729 HydrophobicContact CD2-CD1 4.05Å; Y725-L729 HydrophobicContact CD2-CG 4.46Å; Y725-L729 HydrophobicContact CG-CD1 4.47Å; Y725-L729 HydrophobicContact CG-CG 4.46Å; Y725-W771 AromaticContact CD1-CH2 3.73Å; Y725-W771 HydrophobicContact CD1-CH2 3.73Å; Y725-W771 AromaticContact CD1-CZ3 3.78Å; Y725-W771 HydrophobicContact CD1-CZ3 3.78Å; Y725-W771 HydrophobicContact CE1-CH2 4.04Å; Y725-W771 AromaticContact CE1-CZ3 3.68Å; Y725-W771 HydrophobicContact CE1-CZ3 3.68Å; Y725-W771 HydrophobicContact CG-CH2 4.36Å; Y725-H773 AromaticContact CD1-CD2 3.45Å; Y725-H773 VanDerWaalsContact CD1-CD2 3.45Å; Y725-H773 WeakPolarHBondContact CD1-CD2 3.06Å; Y725-H773 HydrophobicContact CE1-CB 4.15Å; Y725-H773 AromaticContact CE1-CD2 3.28Å; Y725-H773 WeakPolarHBondContact CE1-CD2 3.42Å; Y725-H773 AromaticContact CE1-CG 3.94Å; Y725-F780 HydrophobicContact CD1-CD1 4.33Å; Y725-F780 AromaticContact CE1-CD1 3.9Å; Y725-F780 HydrophobicContact CE1-CD1 3.9Å; Y725-P781 HydrophobicContact CE2-CG 4.29Å; Y725-P781 WeakPolarHBondContact CE2-O 3.27Å; Y725-P781 PolarHBondContact OH-O 2.58Å; Y725-V783 HydrophobicContact CD2-CG2 4.38Å; Y725-V783 HydrophobicContact CE1-CG2 4.35Å; Y725-V783 HydrophobicContact CE2-CG2 3.81Å
726	S	72.2	Confident	85.9	Confident	97 Å²	97	50.8 Å²	50.8	68%	0.678	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	50.3	170.2	-60.7	0	0	0	0	114.3	Q722 M728	Q722-S726 PolarHBondContact O-N 3.28Å; S726-M728 PolarHBondContact O-N 3.25Å
727	N	70.8	Confident	85.8	Confident	132 Å²	132	50.1 Å²	50.1	71%	0.706	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	14	178.6	-57.5	-38.5	0	0	0	117.6	Y725 L729	Y725-N727 PolarHBondContact O-N 3.25Å; N727-L729 VanDerWaalsContact C-N 3.3Å
728	M	77.6	Confident	85.5	Confident	106 Å²	106	48.5 Å²	48.5	52%	0.522	26%	0.264	S	S	.	.			trans	-76	-13.8	171.7	-80.4	-174.3	-83.7	0	0	114.4	Y725 S726	Y725-M728 PolarHBondContact O-N 2.96Å; Y725-M728 VanDerWaalsContact O-N 3.16Å; S726-M728 PolarHBondContact O-N 3.25Å
729	L	85.8	Confident	85.1	Confident	8 Å²	8	50.4 Å²	50.4	4%	0.042	27%	0.274	C	S	.	.			trans	-83.4	132.7	-177.4	-64.3	173.8	0	0	0	112.3	C721 Q722 Y725 N727 M733 W771 V783	C721-L729 HydrophobicContact CB-CD1 3.82Å; C721-L729 WeakPolarHBondContact O-CD1 3.38Å; C721-L729 WeakPolarHBondContact SG-CD1 3.11Å; Q722-L729 HydrophobicContact CG-CB 4.43Å; Q722-L729 PolarHBondContact NE2-O 3.22Å; Y725-L729 HydrophobicContact CD2-CD1 4.05Å; Y725-L729 HydrophobicContact CD2-CG 4.46Å; Y725-L729 HydrophobicContact CG-CD1 4.47Å; Y725-L729 HydrophobicContact CG-CG 4.46Å; N727-L729 VanDerWaalsContact C-N 3.3Å; L729-M733 HydrophobicContact CD2-CB 4.29Å; L729-M733 HydrophobicContact CD2-SD 3.81Å; L729-W771 HydrophobicContact CD2-CH2 4.41Å; L729-W771 HydrophobicContact CD2-CZ2 3.94Å; L729-V783 HydrophobicContact CD2-CB 4.48Å; L729-V783 HydrophobicContact CD2-CG1 3.63Å; L729-V783 HydrophobicContact CD2-CG2 3.95Å
730	T	88.9	Confident	84.8	Confident	28 Å²	28	50 Å²	50	17%	0.172	27%	0.272	C	S	.	.			trans	-95.4	163.1	172.6	60.6	0	0	0	0	111	D654 Q718 S732 M733	D654-T730 HydrophobicContact CB-CG2 4.21Å; D654-T730 PolarHBondContact OD1-OG1 2.99Å; Q718-T730 PolarHBondContact NE2-O 3.41Å; T730-S732 PolarHBondContact O-N 2.78Å; T730-S732 PolarHBondContact OG1-OG 2.98Å; T730-M733 HydrophobicContact CG2-CE 4.39Å; T730-M733 WeakPolarHBondContact O-CB 3.02Å; T730-M733 PolarHBondContact O-N 3.27Å; T730-M733 WeakPolarHBondContact OG1-CG 3.28Å
731	P	88.3	Confident	83.9	Confident	110 Å²	110	46.9 Å²	46.9	71%	0.714	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.6	175.4	-23.7	34.9	0	0	0	114.6	M733 R786	P731-M733 PolarHBondContact O-N 3.35Å; P731-R786 PolarHBondContact O-NE 3.28Å
732	S	89.9	Confident	83.1	Confident	10 Å²	10	50 Å²	50	7%	0.07	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-4.9	173.2	25.9	0	0	0	0	113.3	D654 T730 R786	D654-S732 PolarHBondContact OD1-OG 2.75Å; T730-S732 PolarHBondContact O-N 2.78Å; T730-S732 PolarHBondContact OG1-OG 2.98Å; S732-R786 VanDerWaalsContact O-CB 3.29Å; S732-R786 WeakPolarHBondContact O-CB 3.13Å; S732-R786 PolarHBondContact O-N 3.19Å
733	M	92.9	Very high	82.2	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.015	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	160.2	174	-62.2	173.6	-169.2	0	0	110.9	N652 D654 Q718 L729 T730 P731 W771 V783 Y784 R786	N652-M733 VanDerWaalsContact O-CE 3.29Å; N652-M733 WeakPolarHBondContact O-CE 3.45Å; D654-M733 VanDerWaalsContact CA-CE 3.47Å; D654-M733 HydrophobicContact CB-CE 3.9Å; Q718-M733 PolarHBondContact OE1-O 3.1Å; Q718-M733 VanDerWaalsContact OE1-O 3.07Å; L729-M733 HydrophobicContact CD2-CB 4.29Å; L729-M733 HydrophobicContact CD2-SD 3.81Å; T730-M733 HydrophobicContact CG2-CE 4.39Å; T730-M733 WeakPolarHBondContact O-CB 3.02Å; T730-M733 PolarHBondContact O-N 3.27Å; T730-M733 WeakPolarHBondContact OG1-CG 3.28Å; P731-M733 PolarHBondContact O-N 3.35Å; M733-W771 HydrophobicContact SD-CZ2 4.19Å; M733-V783 HydrophobicContact CB-CG1 4.01Å; M733-V783 HydrophobicContact CG-CG1 4.23Å; M733-V783 HydrophobicContact SD-CG1 4.03Å; M733-Y784 CarbonylContact C-O 3.48Å; M733-Y784 WeakPolarHBondContact CA-O 2.93Å; M733-R786 PolarHBondContact O-NE 2.98Å; M733-R786 VanDerWaalsContact O-NE 3.08Å; M733-R786 PolarHBondContact O-NH2 3.35Å
734	M	92.6	Very high	81.4	Confident	3 Å²	3	43.6 Å²	43.6	2%	0.015	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	161.9	170.8	67.9	179.4	-64.2	0	0	110.1	I715 L754 A766 Y784 R786	I715-M734 HydrophobicContact CD1-CE 3.6Å; I715-M734 HydrophobicContact CG1-CE 4.49Å; I715-M734 HydrophobicContact CG2-CE 4.2Å; M734-L754 HydrophobicContact CE-CD2 4.01Å; M734-L754 HydrophobicContact SD-CD2 4.32Å; M734-A766 HydrophobicContact CE-CB 4.27Å; M734-A766 HydrophobicContact SD-CB 4.35Å; M734-Y784 PolarHBondContact N-O 3.49Å; M734-Y784 PolarHBondContact O-N 3.32Å; M734-R786 HydrophobicContact CB-CB 4.18Å; M734-R786 HydrophobicContact CB-CG 4.41Å; M734-R786 HydrophobicContact CG-CB 4.17Å; M734-R786 HydrophobicContact SD-CB 4.31Å; M734-R786 HydrophobicContact SD-CG 4.22Å
735	C	91.7	Very high	80.6	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	144.9	-178.8	-57.1	0	0	0	0	111.6	I716 C721 P781 G782	I716-C735 HydrophobicContact CB-CB 4.15Å; I716-C735 PolarHBondContact N-O 3.45Å; C721-C735 HydrophobicContact CB-CB 3.53Å; C721-C735 WeakPolarHBondContact CB-SG 3.41Å; C721-C735 WeakPolarHBondContact SG-CB 3.47Å; C721-C735 CovalentContact SG-SG 1.99Å; C721-C735 PolarHBondContact SG-SG 3.18Å; C735-P781 HydrophobicContact CB-CG 4.21Å; C735-G782 WeakPolarHBondContact CA-O 2.98Å
736	A	90.3	Very high	80	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	139.6	173.6	0	0	0	0	0	110.4	V713 N714 I715 L754 G782 Y784	V713-A736 HydrophobicContact CB-CB 4.47Å; V713-A736 HydrophobicContact CG2-CB 4.02Å; N714-A736 CarbonylContact O-C 3.52Å; N714-A736 WeakPolarHBondContact O-CA 3.47Å; N714-A736 WeakPolarHBondContact O-CB 3.35Å; I715-A736 HydrophobicContact CD1-CB 4.11Å; A736-L754 HydrophobicContact CB-CD1 3.96Å; A736-L754 HydrophobicContact CB-CD2 3.64Å; A736-L754 HydrophobicContact CB-CG 4.47Å; A736-G782 PolarHBondContact N-O 3.3Å; A736-Y784 HydrophobicContact CB-CD2 4.15Å; A736-Y784 HydrophobicContact CB-CE2 3.72Å
737	G	85.9	Confident	79.7	Confident	2 Å²	2	46 Å²	46	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	152	-149.9	-176.3	0	0	0	0	0	112.2	N714	N714-G737 PolarHBondContact N-O 3.4Å; N714-G737 PolarHBondContact O-N 3.21Å
738	F	82.3	Confident	79.3	Confident	46 Å²	46	40.2 Å²	40.2	20%	0.202	23%	0.232	C	C	.	.			trans	-131.3	136.1	174.9	-65.2	-86.3	0	0	0	108.4	A712 E740 G741 R743	A712-F738 WeakPolarHBondContact O-CE2 3.47Å; F738-E740 PolarHBondContact O-N 3.41Å; F738-G741 PolarHBondContact O-N 2.63Å; F738-R743 HydrophobicContact CD2-CB 4.05Å; F738-R743 HydrophobicContact CD2-CG 4.38Å; F738-R743 HydrophobicContact CE2-CB 4.29Å; F738-R743 HydrophobicContact CE2-CG 4.43Å
739	M	79.3	Confident	79.3	Confident	71 Å²	71	36 Å²	36	35%	0.35	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-25.8	179.1	-66.5	-61.2	-76.1	0	0	111.7	I716 S724 G741 G779 P781	I716-M739 HydrophobicContact CD1-CG 4.49Å; I716-M739 HydrophobicContact CD1-SD 4.07Å; I716-M739 HydrophobicContact CG2-SD 4.41Å; S724-M739 WeakPolarHBondContact OG-CE 3.25Å; M739-G741 PolarHBondContact O-N 2.99Å; M739-G779 PolarHBondContact O-N 3.39Å; M739-P781 HydrophobicContact SD-CG 4.17Å
740	E	78.3	Confident	79.3	Confident	140 Å²	140	36.9 Å²	36.9	65%	0.654	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-15.1	172.6	-55.5	80.3	-175.6	0	0	112.5	F738 T778	F738-E740 PolarHBondContact O-N 3.41Å; E740-T778 WeakPolarHBondContact O-CB 3.4Å; E740-T778 PolarHBondContact O-OG1 3.35Å
741	G	68.8	Low	79.3	Confident	14 Å²	14	35.5 Å²	35.5	14%	0.144	21%	0.21	C	C	.	.			trans	85.6	-162.1	-175.9	0	0	0	0	0	113.6	F738 M739 R743	F738-G741 PolarHBondContact O-N 2.63Å; M739-G741 PolarHBondContact O-N 2.99Å; G741-R743 VanDerWaalsContact C-N 3.35Å; G741-R743 PolarHBondContact O-N 2.86Å
742	G	69.1	Low	79.4	Confident	65 Å²	65	30.3 Å²	30.3	67%	0.67	18%	0.176	S	C	*	.	S	Bend	trans	85.3	-23.6	174.2	0	0	0	0	0	116.8	G776	G742-G776 PolarHBondContact N-O 3.45Å
743	R	68.8	Low	79.7	Confident	40 Å²	40	29.8 Å²	29.8	15%	0.151	17%	0.173	C	C	.	.			trans	-130.5	125.1	170.2	-58	-171.5	-153.3	143.1	20.4	111.4	I570 A712 F738 G741	I570-R743 VanDerWaalsContact CD1-NH2 3.26Å; A712-R743 WeakPolarHBondContact O-CD 3.47Å; A712-R743 PolarHBondContact O-NH1 3.09Å; F738-R743 HydrophobicContact CD2-CB 4.05Å; F738-R743 HydrophobicContact CD2-CG 4.38Å; F738-R743 HydrophobicContact CE2-CB 4.29Å; F738-R743 HydrophobicContact CE2-CG 4.43Å; G741-R743 VanDerWaalsContact C-N 3.35Å; G741-R743 PolarHBondContact O-N 2.86Å
744	D	68.4	Low	79.8	Confident	20 Å²	20	29.7 Å²	29.7	11%	0.107	17%	0.172	C	C	.	.			trans	-163.8	169.2	-176.3	-158.8	-3.4	0	0	0	109.7	C775 G776 G782	D744-C775 HydrophobicContact CB-CB 4.29Å; D744-C775 WeakPolarHBondContact OD2-CA 3.05Å; D744-G776 PolarHBondContact OD2-N 3Å; D744-G782 WeakPolarHBondContact OD1-CA 3.38Å; D744-G782 PolarHBondContact OD1-N 3.25Å
745	T	67.5	Low	79.9	Confident	16 Å²	16	29.5 Å²	29.5	10%	0.098	17%	0.171	C	C	.	.			trans	-81.1	138.7	165.6	47.6	0	0	0	0	110.5	I692 D749 T769 C775 Y784	I692-T745 HydrophobicContact CB-CG2 4.03Å; I692-T745 HydrophobicContact CD1-CG2 3.62Å; I692-T745 HydrophobicContact CG1-CG2 4.39Å; I692-T745 HydrophobicContact CG2-CG2 4.11Å; T745-D749 HydrophobicContact CG2-CB 4.09Å; T745-T769 HydrophobicContact CG2-CG2 3.69Å; T745-T769 WeakPolarHBondContact OG1-CG2 3.15Å; T745-C775 VanDerWaalsContact O-CB 3.27Å; T745-C775 WeakPolarHBondContact O-CB 3.08Å; T745-Y784 HydrophobicContact CG2-CE1 3.95Å; T745-Y784 WeakPolarHBondContact CG2-OH 3.37Å
746	C	71.4	Confident	79.9	Confident	19 Å²	19	29.6 Å²	29.6	13%	0.128	17%	0.172	C	C	.	.			trans	-120.2	-175.4	-179	-71.5	0	0	0	0	111.4	S697 G748 D749 C775	S697-C746 WeakPolarHBondContact O-CB 3.48Å; S697-C746 PolarHBondContact O-SG 2.74Å; S697-C746 VanDerWaalsContact O-SG 3.34Å; C746-G748 PolarHBondContact O-N 3.48Å; C746-G748 VanDerWaalsContact O-N 3.16Å; C746-D749 PolarHBondContact N-OD2 3.39Å; C746-D749 WeakPolarHBondContact O-CB 3.46Å; C746-D749 PolarHBondContact O-N 3.13Å; C746-C775 HydrophobicContact CB-CB 3.82Å; C746-C775 WeakPolarHBondContact CB-SG 3.13Å; C746-C775 WeakPolarHBondContact SG-CB 3.5Å; C746-C775 CovalentContact SG-SG 2.04Å; C746-C775 PolarHBondContact SG-SG 2.67Å
747	L	65.4	Low	79.8	Confident	134 Å²	134	35.1 Å²	35.1	70%	0.702	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	121.3	177.8	-170.5	147.1	0	0	0	111	G696 S697 L704	G696-L747 CarbonylContact C-O 3.59Å; G696-L747 WeakPolarHBondContact CA-O 3.41Å; S697-L747 PolarHBondContact N-O 3.03Å; L704-L747 HydrophobicContact CD2-CD2 4.09Å; L704-L747 VanDerWaalsContact CD2-O 3.25Å; L704-L747 WeakPolarHBondContact CD2-O 3.48Å
748	G	61.3	Low	79.6	Confident	9 Å²	9	35.5 Å²	35.5	9%	0.093	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.7	-8.9	-176.7	0	0	0	0	0	115	H592 C746	H592-G748 PolarHBondContact NE2-O 3.26Å; C746-G748 PolarHBondContact O-N 3.48Å; C746-G748 VanDerWaalsContact O-N 3.16Å
749	D	78.8	Confident	79	Confident	18 Å²	18	40.3 Å²	40.3	10%	0.096	22%	0.217	C	C	.	.			trans	-90.9	-6	173.2	-63.1	-44.2	0	0	0	113.3	G694 W695 G696 T745 C746 G751 G752 T769	G694-D749 WeakPolarHBondContact CA-OD1 3.36Å; W695-D749 PolarHBondContact N-OD1 2.87Å; G696-D749 VanDerWaalsContact CA-OD1 3.25Å; G696-D749 WeakPolarHBondContact CA-OD1 3.22Å; G696-D749 PolarHBondContact N-OD1 2.78Å; T745-D749 HydrophobicContact CG2-CB 4.09Å; C746-D749 PolarHBondContact N-OD2 3.39Å; C746-D749 WeakPolarHBondContact O-CB 3.46Å; C746-D749 PolarHBondContact O-N 3.13Å; D749-G751 PolarHBondContact O-N 2.92Å; D749-G752 WeakPolarHBondContact O-CA 3.28Å; D749-G752 PolarHBondContact O-N 2.87Å; D749-T769 HydrophobicContact CB-CG2 4.39Å; D749-T769 WeakPolarHBondContact O-CB 3.22Å; D749-T769 WeakPolarHBondContact O-CG2 3.28Å
750	S	86.3	Confident	78.4	Confident	26 Å²	26	38.4 Å²	38.4	18%	0.182	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.8	132.5	177.1	-68	0	0	0	0	111.8	C594 G595 H609 G752	C594-S750 CarbonylContact C-O 3.5Å; C594-S750 WeakPolarHBondContact CA-O 3.29Å; C594-S750 WeakPolarHBondContact CB-O 3.14Å; G595-S750 PolarHBondContact N-O 3.45Å; H609-S750 WeakPolarHBondContact NE2-CB 3.32Å; H609-S750 PolarHBondContact NE2-OG 2.86Å; S750-G752 PolarHBondContact O-N 2.97Å
751	G	88.4	Confident	78.2	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	-4.5	-177	0	0	0	0	0	115.7	G595 T606 D749 T769	G595-G751 CarbonylContact C-O 3.53Å; G595-G751 CarbonylContact O-C 3.48Å; G595-G751 WeakPolarHBondContact O-CA 3.47Å; T606-G751 WeakPolarHBondContact OG1-CA 3.16Å; D749-G751 PolarHBondContact O-N 2.92Å; G751-T769 PolarHBondContact N-O 3.1Å
752	G	90.8	Very high	79	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.182	C	C	.	.			trans	-67.4	162	170.2	0	0	0	0	0	112.7	D749 S750 T769	D749-G752 WeakPolarHBondContact O-CA 3.28Å; D749-G752 PolarHBondContact O-N 2.87Å; S750-G752 PolarHBondContact O-N 2.97Å; G752-T769 PolarHBondContact O-N 3.26Å; G752-T769 PolarHBondContact O-OG1 2.71Å; G752-T769 VanDerWaalsContact O-OG1 3.1Å
753	P	95.1	Very high	80.1	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	140.9	-179.2	28.6	-27.2	0	0	0	113	I583 T597 T755 I765	I583-P753 HydrophobicContact CD1-CG 3.85Å; T597-P753 HydrophobicContact CG2-CB 3.94Å; T597-P753 HydrophobicContact CG2-CG 4.13Å; T597-P753 WeakPolarHBondContact OG1-CB 3.46Å; T597-P753 VanDerWaalsContact OG1-CD 3.31Å; T597-P753 WeakPolarHBondContact OG1-CD 3.44Å; T597-P753 VanDerWaalsContact OG1-CG 3.31Å; T597-P753 WeakPolarHBondContact OG1-CG 3.21Å; P753-T755 HydrophobicContact CB-CG2 3.8Å; P753-T755 HydrophobicContact CG-CG2 4.37Å; P753-I765 HydrophobicContact CB-CD1 4.03Å; P753-I765 HydrophobicContact CB-CG1 4.32Å
754	L	94.9	Very high	81.2	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	107.9	150.2	172.4	67.3	0	0	0	107.7	C690 I692 V713 I715 M734 A736 A766 G767 Y784	C690-L754 HydrophobicContact CB-CD1 4.21Å; I692-L754 HydrophobicContact CG2-CB 4.32Å; I692-L754 HydrophobicContact CG2-CD1 3.67Å; V713-L754 HydrophobicContact CG2-CD1 3.51Å; I715-L754 HydrophobicContact CD1-CD2 3.96Å; M734-L754 HydrophobicContact CE-CD2 4.01Å; M734-L754 HydrophobicContact SD-CD2 4.32Å; A736-L754 HydrophobicContact CB-CD1 3.96Å; A736-L754 HydrophobicContact CB-CD2 3.64Å; A736-L754 HydrophobicContact CB-CG 4.47Å; L754-A766 HydrophobicContact CD2-CB 4.24Å; L754-A766 HydrophobicContact CG-CB 4.25Å; L754-A766 PolarHBondContact O-N 2.8Å; L754-G767 PolarHBondContact N-O 2.99Å; L754-G767 PolarHBondContact O-N 2.84Å; L754-Y784 HydrophobicContact CB-CD1 3.81Å; L754-Y784 HydrophobicContact CB-CE1 3.98Å; L754-Y784 HydrophobicContact CB-CG 4.44Å; L754-Y784 HydrophobicContact CD2-CD1 4.26Å; L754-Y784 HydrophobicContact CD2-CD2 4.2Å; L754-Y784 HydrophobicContact CD2-CG 4.1Å
755	T	94.4	Very high	82.5	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	135.7	178.8	56.1	0	0	0	0	111.7	W580 W582 V675 C690 Y691 P753 F764	W580-T755 WeakPolarHBondContact CZ3-OG1 3.42Å; W582-T755 HydrophobicContact CZ2-CG2 4.17Å; V675-T755 HydrophobicContact CG2-CG2 3.94Å; C690-T755 CarbonylContact C-O 3.55Å; C690-T755 VanDerWaalsContact CA-O 3.29Å; C690-T755 WeakPolarHBondContact CA-O 3.35Å; Y691-T755 PolarHBondContact N-O 3.13Å; Y691-T755 PolarHBondContact O-N 3.15Å; Y691-T755 PolarHBondContact O-OG1 2.99Å; P753-T755 HydrophobicContact CB-CG2 3.8Å; P753-T755 HydrophobicContact CG-CG2 4.37Å; T755-F764 CarbonylContact C-O 3.55Å; T755-F764 VanDerWaalsContact CA-O 3.26Å; T755-F764 WeakPolarHBondContact CA-O 3.44Å
756	C	92.5	Very high	83.8	Confident	2 Å²	2	25.8 Å²	25.8	1%	0.014	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	140.8	177.5	-62.4	0	0	0	0	110.6	F684 E689 C690 F764 A766	F684-C756 HydrophobicContact CD1-CB 3.7Å; F684-C756 HydrophobicContact CE1-CB 3.91Å; E689-C756 WeakPolarHBondContact O-CA 3.35Å; C690-C756 HydrophobicContact CB-CB 4.13Å; C690-C756 WeakPolarHBondContact CB-SG 3.34Å; C690-C756 WeakPolarHBondContact SG-CB 3.4Å; C690-C756 CovalentContact SG-SG 2.04Å; C690-C756 PolarHBondContact SG-SG 3.18Å; C756-F764 PolarHBondContact N-O 3.43Å; C756-F764 PolarHBondContact O-N 2.98Å; C756-A766 HydrophobicContact CB-CB 4.49Å
757	R	88.1	Confident	84.9	Confident	115 Å²	115	24.9 Å²	24.9	43%	0.434	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	129.2	178.6	-164.1	-176.6	177.5	-169.6	-6.4	110.6	E689 W763	E689-R757 HydrophobicContact CB-CB 4.11Å; E689-R757 PolarHBondContact O-N 3.18Å; E689-R757 WeakPolarHBondContact OE2-CD 3.46Å; E689-R757 IonicContact OE2-NH1 2.92Å; E689-R757 PolarHBondContact OE2-NH1 2.97Å; E689-R757 VanDerWaalsContact OE2-NH1 3.13Å; R757-W763 HydrophobicContact CB-CD2 3.96Å; R757-W763 HydrophobicContact CB-CE3 4.01Å; R757-W763 HydrophobicContact CB-CH2 3.86Å; R757-W763 HydrophobicContact CB-CZ2 3.82Å; R757-W763 HydrophobicContact CB-CZ3 3.96Å; R757-W763 HydrophobicContact CG-CD2 4.19Å; R757-W763 HydrophobicContact CG-CZ2 3.97Å
758	H	81	Confident	86.3	Confident	11 Å²	11	18.5 Å²	18.5	5%	0.051	10%	0.095	C	C	.	.			trans	-74.2	152.6	170.2	-163.5	-108.5	0	0	0	111.2	N538 H682 S760 G761 P762 F764	N538-H758 WeakPolarHBondContact CB-NE2 3.36Å; H682-H758 AromaticContact CE1-CD2 3.95Å; H758-S760 PolarHBondContact ND1-N 2.89Å; H758-S760 PolarHBondContact ND1-OG 2.99Å; H758-S760 PolarHBondContact O-N 2.87Å; H758-S760 VanDerWaalsContact O-N 3.15Å; H758-G761 PolarHBondContact O-N 3.37Å; H758-P762 HydrophobicContact CB-CG 4.23Å; H758-P762 WeakPolarHBondContact CB-O 3.38Å; H758-P762 PolarHBondContact N-O 2.83Å; H758-F764 HydrophobicContact CB-CD2 3.88Å; H758-F764 HydrophobicContact CB-CE2 3.67Å
759	H	70.5	Confident	87.9	Confident	146 Å²	146	18.3 Å²	18.3	68%	0.676	9%	0.092	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-28.1	-179.3	58.2	70.6	0	0	0	113.1	G761	H759-G761 VanDerWaalsContact C-N 3.27Å; H759-G761 PolarHBondContact O-N 2.79Å
760	S	66.6	Low	88.5	Confident	31 Å²	31	17.7 Å²	17.7	22%	0.217	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-1.3	176.8	61.8	0	0	0	0	114.5	D542 H758 P762	D542-S760 WeakPolarHBondContact CA-OG 3.41Å; D542-S760 WeakPolarHBondContact O-CB 3.43Å; D542-S760 PolarHBondContact O-OG 3.03Å; H758-S760 PolarHBondContact ND1-N 2.89Å; H758-S760 PolarHBondContact ND1-OG 2.99Å; H758-S760 PolarHBondContact O-N 2.87Å; H758-S760 VanDerWaalsContact O-N 3.15Å; S760-P762 WeakPolarHBondContact O-CD 3.42Å; S760-P762 VanDerWaalsContact OG-CD 3.3Å; S760-P762 WeakPolarHBondContact OG-CD 3.39Å
761	G	74.9	Confident	88.5	Confident	17 Å²	17	18.8 Å²	18.8	18%	0.175	9%	0.09	C	C	.	.	S	Bend	trans	110.4	-32.4	175.2	0	0	0	0	0	118.5	H758 H759	H758-G761 PolarHBondContact O-N 3.37Å; H759-G761 VanDerWaalsContact C-N 3.27Å; H759-G761 PolarHBondContact O-N 2.79Å
762	P	84.7	Confident	88.2	Confident	3 Å²	3	20.2 Å²	20.2	2%	0.019	10%	0.104	C	C	.	.			trans	-70.9	155.1	-179.2	25	-28.2	0	0	0	112.5	C541 H758 S760 F764	C541-P762 WeakPolarHBondContact O-CG 3.35Å; H758-P762 HydrophobicContact CB-CG 4.23Å; H758-P762 WeakPolarHBondContact CB-O 3.38Å; H758-P762 PolarHBondContact N-O 2.83Å; S760-P762 WeakPolarHBondContact O-CD 3.42Å; S760-P762 VanDerWaalsContact OG-CD 3.3Å; S760-P762 WeakPolarHBondContact OG-CD 3.39Å; P762-F764 HydrophobicContact CB-CE2 4.28Å; P762-F764 HydrophobicContact CG-CE2 3.98Å
763	W	91.5	Very high	87.5	Confident	7 Å²	7	24.1 Å²	24.1	3%	0.027	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	131.1	178.6	-69.4	76.5	0	0	0	111.4	G559 W580 W582 V675 C676 E689 Y691 R757	G559-W763 VanDerWaalsContact CA-O 3.3Å; G559-W763 WeakPolarHBondContact CA-O 3.32Å; G559-W763 PolarHBondContact O-N 3.33Å; W580-W763 HydrophobicContact CH2-CE3 4.15Å; W580-W763 AromaticContact CH2-CH2 3.67Å; W580-W763 HydrophobicContact CH2-CH2 3.67Å; W580-W763 HydrophobicContact CH2-CZ2 4.17Å; W580-W763 AromaticContact CH2-CZ3 3.65Å; W580-W763 HydrophobicContact CH2-CZ3 3.65Å; W580-W763 HydrophobicContact CZ3-CD2 4.21Å; W580-W763 AromaticContact CZ3-CE3 3.82Å; W580-W763 HydrophobicContact CZ3-CE3 3.82Å; W580-W763 HydrophobicContact CZ3-CH2 4.17Å; W580-W763 AromaticContact CZ3-CZ3 3.8Å; W580-W763 HydrophobicContact CZ3-CZ3 3.8Å; W582-W763 HydrophobicContact CH2-CB 3.49Å; W582-W763 VanDerWaalsContact CH2-CB 3.49Å; W582-W763 AromaticContact CH2-CD1 3.96Å; W582-W763 HydrophobicContact CH2-CD2 4.29Å; W582-W763 AromaticContact CH2-CG 3.61Å; W582-W763 HydrophobicContact CH2-CG 3.61Å; W582-W763 HydrophobicContact CZ2-CB 3.86Å; W582-W763 HydrophobicContact CZ2-CD2 4.39Å; W582-W763 HydrophobicContact CZ2-CG 4.06Å; W582-W763 HydrophobicContact CZ3-CB 4.33Å; V675-W763 HydrophobicContact CG2-CB 4.43Å; V675-W763 VanDerWaalsContact CG2-O 3.28Å; V675-W763 WeakPolarHBondContact CG2-O 3.23Å; C676-W763 WeakPolarHBondContact CB-O 3.46Å; C676-W763 PolarHBondContact N-O 3.43Å; C676-W763 VanDerWaalsContact N-O 3.1Å; E689-W763 HydrophobicContact CG-CH2 4.15Å; Y691-W763 AromaticContact CD2-CH2 3.56Å; Y691-W763 HydrophobicContact CD2-CH2 3.56Å; Y691-W763 AromaticContact CD2-CZ3 3.8Å; Y691-W763 HydrophobicContact CD2-CZ3 3.8Å; Y691-W763 AromaticContact CE2-CH2 3.95Å; Y691-W763 HydrophobicContact CE2-CH2 3.95Å; R757-W763 HydrophobicContact CB-CD2 3.96Å; R757-W763 HydrophobicContact CB-CE3 4.01Å; R757-W763 HydrophobicContact CB-CH2 3.86Å; R757-W763 HydrophobicContact CB-CZ2 3.82Å; R757-W763 HydrophobicContact CB-CZ3 3.96Å; R757-W763 HydrophobicContact CG-CD2 4.19Å; R757-W763 HydrophobicContact CG-CZ2 3.97Å
764	F	93.3	Very high	86.1	Confident	3 Å²	3	25.4 Å²	25.4	1%	0.013	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	144.8	177.5	-69.4	-95.5	0	0	0	110.7	C541 C676 P678 H682 F684 T755 C756 H758 P762 A766	C541-F764 HydrophobicContact CB-CE1 4.43Å; C541-F764 HydrophobicContact CB-CZ 4.04Å; C676-F764 HydrophobicContact CB-CD1 3.47Å; C676-F764 VanDerWaalsContact CB-CD1 3.47Å; C676-F764 HydrophobicContact CB-CD2 4.48Å; C676-F764 HydrophobicContact CB-CE1 3.53Å; C676-F764 HydrophobicContact CB-CG 3.99Å; C676-F764 HydrophobicContact CB-CZ 4.09Å; C676-F764 VanDerWaalsContact O-CA 3.32Å; C676-F764 WeakPolarHBondContact O-CA 3.3Å; P678-F764 HydrophobicContact CB-CD1 4.42Å; H682-F764 AromaticContact CE1-CD2 3.93Å; H682-F764 AromaticContact CE1-CG 3.93Å; F684-F764 HydrophobicContact CE1-CB 3.99Å; F684-F764 HydrophobicContact CZ-CB 4.11Å; T755-F764 CarbonylContact C-O 3.55Å; T755-F764 VanDerWaalsContact CA-O 3.26Å; T755-F764 WeakPolarHBondContact CA-O 3.44Å; C756-F764 PolarHBondContact N-O 3.43Å; C756-F764 PolarHBondContact O-N 2.98Å; H758-F764 HydrophobicContact CB-CD2 3.88Å; H758-F764 HydrophobicContact CB-CE2 3.67Å; P762-F764 HydrophobicContact CB-CE2 4.28Å; P762-F764 HydrophobicContact CG-CE2 3.98Å; F764-A766 PolarHBondContact O-N 2.86Å
765	I	95	Very high	84.9	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	113	169.9	-173.6	171.2	0	0	0	109.8	T597 L605 V675 C676 L677 P678 P753 V768 V787	T597-I765 HydrophobicContact CG2-CD1 4.05Å; L605-I765 HydrophobicContact CD2-CD1 3.92Å; V675-I765 HydrophobicContact CG1-CB 3.91Å; V675-I765 HydrophobicContact CG1-CG2 4.01Å; V675-I765 HydrophobicContact CG2-CB 4.39Å; C676-I765 PolarHBondContact O-N 2.6Å; L677-I765 HydrophobicContact CD2-CG2 3.88Å; P678-I765 WeakPolarHBondContact CD-O 3.11Å; P678-I765 VanDerWaalsContact CG-O 3.31Å; P678-I765 WeakPolarHBondContact CG-O 3.11Å; P753-I765 HydrophobicContact CB-CD1 4.03Å; P753-I765 HydrophobicContact CB-CG1 4.32Å; I765-V768 HydrophobicContact CD1-CG2 4.23Å; I765-V787 HydrophobicContact CD1-CG2 4.35Å; I765-V787 HydrophobicContact CG1-CG2 4.03Å; I765-V787 HydrophobicContact CG2-CG1 4.21Å; I765-V787 HydrophobicContact CG2-CG2 4.36Å
766	A	94.3	Very high	83.6	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-41.7	177.9	0	0	0	0	0	111.4	F684 M734 L754 C756 F764 V787	F684-A766 HydrophobicContact CD1-CB 3.98Å; F684-A766 HydrophobicContact CD2-CB 3.78Å; F684-A766 HydrophobicContact CE1-CB 3.83Å; F684-A766 HydrophobicContact CE2-CB 3.63Å; F684-A766 HydrophobicContact CG-CB 3.94Å; F684-A766 HydrophobicContact CZ-CB 3.65Å; M734-A766 HydrophobicContact CE-CB 4.27Å; M734-A766 HydrophobicContact SD-CB 4.35Å; L754-A766 HydrophobicContact CD2-CB 4.24Å; L754-A766 HydrophobicContact CG-CB 4.25Å; L754-A766 PolarHBondContact O-N 2.8Å; C756-A766 HydrophobicContact CB-CB 4.49Å; F764-A766 PolarHBondContact O-N 2.86Å; A766-V787 PolarHBondContact O-N 2.9Å
767	G	94.4	Very high	82.8	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	161.3	-174.6	0	0	0	0	0	114.3	L754 T785	L754-G767 PolarHBondContact N-O 2.99Å; L754-G767 PolarHBondContact O-N 2.84Å; G767-T785 CarbonylContact C-O 3.57Å; G767-T785 WeakPolarHBondContact CA-O 3.45Å
768	V	95.9	Very high	82.5	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.7	170.6	179.9	0	0	0	0	108.7	L605 A607 V657 I765 S770 Y784 T785 V787	L605-V768 HydrophobicContact CD2-CG2 3.53Å; L605-V768 HydrophobicContact CG-CG2 3.89Å; A607-V768 HydrophobicContact CB-CG1 4.32Å; V657-V768 HydrophobicContact CG2-CG2 4.43Å; I765-V768 HydrophobicContact CD1-CG2 4.23Å; V768-S770 PolarHBondContact O-N 2.72Å; V768-Y784 CarbonylContact O-C 3.56Å; V768-Y784 VanDerWaalsContact O-CA 3.22Å; V768-Y784 WeakPolarHBondContact O-CA 3.5Å; V768-Y784 WeakPolarHBondContact O-CB 3.31Å; V768-T785 PolarHBondContact N-O 2.91Å; V768-T785 PolarHBondContact O-N 2.75Å; V768-V787 HydrophobicContact CG2-CG2 4.11Å
769	T	94.1	Very high	82.5	Confident	5 Å²	5	33 Å²	33	3%	0.031	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	122.2	-178.4	-54.7	0	0	0	0	111.4	T745 D749 G751 G752 Y784	T745-T769 HydrophobicContact CG2-CG2 3.69Å; T745-T769 WeakPolarHBondContact OG1-CG2 3.15Å; D749-T769 HydrophobicContact CB-CG2 4.39Å; D749-T769 WeakPolarHBondContact O-CB 3.22Å; D749-T769 WeakPolarHBondContact O-CG2 3.28Å; G751-T769 PolarHBondContact N-O 3.1Å; G752-T769 PolarHBondContact O-N 3.26Å; G752-T769 PolarHBondContact O-OG1 2.71Å; G752-T769 VanDerWaalsContact O-OG1 3.1Å; T769-Y784 HydrophobicContact CG2-CE1 4.44Å
770	S	90.9	Very high	83.1	Confident	6 Å²	6	29.5 Å²	29.5	4%	0.042	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	-70.7	-173.7	-176.4	0	0	0	0	113	H609 D656 V768 V783	H609-S770 PolarHBondContact CE1-O 3.18Å; H609-S770 VanDerWaalsContact CE1-O 3.3Å; D656-S770 VanDerWaalsContact CB-OG 3.28Å; D656-S770 WeakPolarHBondContact CB-OG 3.05Å; D656-S770 WeakPolarHBondContact OD2-CA 3.43Å; D656-S770 VanDerWaalsContact OD2-CB 3.32Å; D656-S770 WeakPolarHBondContact OD2-CB 3.37Å; D656-S770 PolarHBondContact OD2-OG 3.1Å; V768-S770 PolarHBondContact O-N 2.72Å; S770-V783 PolarHBondContact N-O 2.79Å
771	W	86.7	Confident	84.1	Confident	48 Å²	48	28.2 Å²	28.2	18%	0.182	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	173.7	-174.5	67	-84.4	0	0	0	113.2	M653 Y725 L729 M733 V783	M653-W771 HydrophobicContact CB-CG 4.04Å; M653-W771 HydrophobicContact CE-CB 4.49Å; M653-W771 HydrophobicContact CG-CB 4.32Å; M653-W771 HydrophobicContact CG-CG 4.06Å; Y725-W771 AromaticContact CD1-CH2 3.73Å; Y725-W771 HydrophobicContact CD1-CH2 3.73Å; Y725-W771 AromaticContact CD1-CZ3 3.78Å; Y725-W771 HydrophobicContact CD1-CZ3 3.78Å; Y725-W771 HydrophobicContact CE1-CH2 4.04Å; Y725-W771 AromaticContact CE1-CZ3 3.68Å; Y725-W771 HydrophobicContact CE1-CZ3 3.68Å; Y725-W771 HydrophobicContact CG-CH2 4.36Å; L729-W771 HydrophobicContact CD2-CH2 4.41Å; L729-W771 HydrophobicContact CD2-CZ2 3.94Å; M733-W771 HydrophobicContact SD-CZ2 4.19Å; W771-V783 HydrophobicContact CD2-CB 4.21Å; W771-V783 HydrophobicContact CD2-CG2 4.35Å; W771-V783 HydrophobicContact CG-CB 4.4Å; W771-V783 HydrophobicContact CH2-CG2 4.33Å; W771-V783 HydrophobicContact CZ2-CB 4.42Å; W771-V783 HydrophobicContact CZ2-CG1 4.16Å; W771-V783 HydrophobicContact CZ2-CG2 4.17Å; W771-V783 HydrophobicContact CZ3-CG2 4.5Å; W771-V783 PolarHBondContact N-O 2.81Å; W771-V783 WeakPolarHBondContact O-CA 3.48Å; W771-V783 VanDerWaalsContact O-CB 3.29Å; W771-V783 WeakPolarHBondContact O-CB 3.17Å; W771-V783 PolarHBondContact O-N 3.34Å
772	G	81.8	Confident	84.8	Confident	30 Å²	30	27.4 Å²	27.4	31%	0.309	16%	0.158	S	C	.	.			trans	-174.1	162.6	176	0	0	0	0	0	112.8	G774	G772-G774 PolarHBondContact O-N 2.98Å
773	H	77.3	Confident	85.1	Confident	83 Å²	83	27.2 Å²	27.2	38%	0.384	16%	0.157	S	C	.	.	S	Bend	trans	-86.9	84.7	174.5	-82.4	-50.6	0	0	0	111.3	Y725 R777 F780	Y725-H773 AromaticContact CD1-CD2 3.45Å; Y725-H773 VanDerWaalsContact CD1-CD2 3.45Å; Y725-H773 WeakPolarHBondContact CD1-CD2 3.06Å; Y725-H773 HydrophobicContact CE1-CB 4.15Å; Y725-H773 AromaticContact CE1-CD2 3.28Å; Y725-H773 WeakPolarHBondContact CE1-CD2 3.42Å; Y725-H773 AromaticContact CE1-CG 3.94Å; H773-R777 VanDerWaalsContact O-CD 3.31Å; H773-R777 WeakPolarHBondContact O-CD 3.41Å; H773-F780 HydrophobicContact CB-CB 4.36Å; H773-F780 HydrophobicContact CB-CD1 3.87Å; H773-F780 HydrophobicContact CB-CE1 4.4Å; H773-F780 HydrophobicContact CB-CG 4.14Å; H773-F780 AromaticContact CD2-CD1 3.96Å; H773-F780 AromaticContact CD2-CE1 3.95Å
774	G	64.8	Low	85.3	Confident	27 Å²	27	26.9 Å²	26.9	28%	0.278	16%	0.155	S	C	.	.	S	Bend	trans	74.2	-169.3	-165.7	0	0	0	0	0	110.3	E700 G772	E700-G774 WeakPolarHBondContact OE1-CA 3.44Å; G772-G774 PolarHBondContact O-N 2.98Å
775	C	70.8	Confident	85.3	Confident	19 Å²	19	26.8 Å²	26.8	13%	0.128	16%	0.155	C	C	.	.	S	Bend	trans	-131.3	128.1	172.8	64.8	0	0	0	0	111.4	D744 T745 C746	D744-C775 HydrophobicContact CB-CB 4.29Å; D744-C775 WeakPolarHBondContact OD2-CA 3.05Å; T745-C775 VanDerWaalsContact O-CB 3.27Å; T745-C775 WeakPolarHBondContact O-CB 3.08Å; C746-C775 HydrophobicContact CB-CB 3.82Å; C746-C775 WeakPolarHBondContact CB-SG 3.13Å; C746-C775 WeakPolarHBondContact SG-CB 3.5Å; C746-C775 CovalentContact SG-SG 2.04Å; C746-C775 PolarHBondContact SG-SG 2.67Å
776	G	66.3	Low	85.3	Confident	23 Å²	23	29.9 Å²	29.9	24%	0.237	17%	0.166	C	C	.	.	S	Bend	trans	74.1	23.6	178.5	0	0	0	0	0	114.1	G742 D744	G742-G776 PolarHBondContact N-O 3.45Å; D744-G776 PolarHBondContact OD2-N 3Å
777	R	75.4	Confident	85.3	Confident	117 Å²	117	29.9 Å²	29.9	44%	0.442	17%	0.166	S	C	.	.	B	Isolated β-bridge	trans	-78.5	142.6	175.8	-63.7	-168.6	-176.3	177.6	-1.2	110.7	E700 H773 G779 F780	E700-R777 IonicContact OE1-CZ 3.72Å; E700-R777 IonicContact OE1-NE 3.39Å; E700-R777 IonicContact OE1-NH2 3.8Å; E700-R777 PolarHBondContact OE1-NH2 3.44Å; E700-R777 IonicContact OE2-CZ 2.64Å; E700-R777 IonicContact OE2-NE 2.7Å; E700-R777 PolarHBondContact OE2-NE 2.95Å; E700-R777 IonicContact OE2-NH2 3.03Å; E700-R777 PolarHBondContact OE2-NH2 3.24Å; H773-R777 VanDerWaalsContact O-CD 3.31Å; H773-R777 WeakPolarHBondContact O-CD 3.41Å; R777-G779 PolarHBondContact O-N 3.27Å; R777-F780 HydrophobicContact CB-CB 4.38Å; R777-F780 PolarHBondContact O-N 2.85Å
778	T	82	Confident	85.2	Confident	105 Å²	105	30.8 Å²	30.8	64%	0.644	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	131.2	173.7	-52.3	0	0	0	0	110	E740 F780	E740-T778 WeakPolarHBondContact O-CB 3.4Å; E740-T778 PolarHBondContact O-OG1 3.35Å; T778-F780 VanDerWaalsContact C-N 3.3Å; T778-F780 PolarHBondContact O-N 2.79Å
779	G	81.4	Confident	85	Confident	22 Å²	22	33.3 Å²	33.3	23%	0.227	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	-5	-179.5	0	0	0	0	0	115.4	S724 M739 R777	S724-G779 WeakPolarHBondContact CB-O 3.44Å; S724-G779 PolarHBondContact OG-O 3.02Å; M739-G779 PolarHBondContact O-N 3.39Å; R777-G779 PolarHBondContact O-N 3.27Å
780	F	83.3	Confident	84.9	Confident	74 Å²	74	33.1 Å²	33.1	33%	0.325	19%	0.189	S	C	.	.	B	Isolated β-bridge	trans	-127.1	88.5	-179.3	-68	-81.8	0	0	0	110.6	S724 Y725 H773 R777 T778	S724-F780 WeakPolarHBondContact O-CE1 3.22Å; Y725-F780 HydrophobicContact CD1-CD1 4.33Å; Y725-F780 AromaticContact CE1-CD1 3.9Å; Y725-F780 HydrophobicContact CE1-CD1 3.9Å; H773-F780 HydrophobicContact CB-CB 4.36Å; H773-F780 HydrophobicContact CB-CD1 3.87Å; H773-F780 HydrophobicContact CB-CE1 4.4Å; H773-F780 HydrophobicContact CB-CG 4.14Å; H773-F780 AromaticContact CD2-CD1 3.96Å; H773-F780 AromaticContact CD2-CE1 3.95Å; R777-F780 HydrophobicContact CB-CB 4.38Å; R777-F780 PolarHBondContact O-N 2.85Å; T778-F780 VanDerWaalsContact C-N 3.3Å; T778-F780 PolarHBondContact O-N 2.79Å
781	P	87.9	Confident	84.9	Confident	3 Å²	3	33.6 Å²	33.6	2%	0.019	19%	0.189	C	C	.	.			trans	-74.9	158.4	176.4	32	-36.3	0	0	0	112.1	I716 Y725 C735 M739	I716-P781 HydrophobicContact CD1-CB 3.33Å; I716-P781 HydrophobicContact CD1-CG 3.69Å; Y725-P781 HydrophobicContact CE2-CG 4.29Å; Y725-P781 WeakPolarHBondContact CE2-O 3.27Å; Y725-P781 PolarHBondContact OH-O 2.58Å; C735-P781 HydrophobicContact CB-CG 4.21Å; M739-P781 HydrophobicContact SD-CG 4.17Å
782	G	88.3	Confident	84.9	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	143.7	176.5	0	0	0	0	0	113.3	C735 A736 D744 Y784	C735-G782 WeakPolarHBondContact CA-O 2.98Å; A736-G782 PolarHBondContact N-O 3.3Å; D744-G782 WeakPolarHBondContact OD1-CA 3.38Å; D744-G782 PolarHBondContact OD1-N 3.25Å; G782-Y784 WeakPolarHBondContact O-CD2 3.03Å; G782-Y784 VanDerWaalsContact O-CE2 3.22Å; G782-Y784 WeakPolarHBondContact O-CE2 3.43Å
783	V	92.3	Very high	85.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	130.1	-179.7	-172.3	0	0	0	0	110.2	Y725 L729 M733 S770 W771	Y725-V783 HydrophobicContact CD2-CG2 4.38Å; Y725-V783 HydrophobicContact CE1-CG2 4.35Å; Y725-V783 HydrophobicContact CE2-CG2 3.81Å; L729-V783 HydrophobicContact CD2-CB 4.48Å; L729-V783 HydrophobicContact CD2-CG1 3.63Å; L729-V783 HydrophobicContact CD2-CG2 3.95Å; M733-V783 HydrophobicContact CB-CG1 4.01Å; M733-V783 HydrophobicContact CG-CG1 4.23Å; M733-V783 HydrophobicContact SD-CG1 4.03Å; S770-V783 PolarHBondContact N-O 2.79Å; W771-V783 HydrophobicContact CD2-CB 4.21Å; W771-V783 HydrophobicContact CD2-CG2 4.35Å; W771-V783 HydrophobicContact CG-CB 4.4Å; W771-V783 HydrophobicContact CH2-CG2 4.33Å; W771-V783 HydrophobicContact CZ2-CB 4.42Å; W771-V783 HydrophobicContact CZ2-CG1 4.16Å; W771-V783 HydrophobicContact CZ2-CG2 4.17Å; W771-V783 HydrophobicContact CZ3-CG2 4.5Å; W771-V783 PolarHBondContact N-O 2.81Å; W771-V783 WeakPolarHBondContact O-CA 3.48Å; W771-V783 VanDerWaalsContact O-CB 3.29Å; W771-V783 WeakPolarHBondContact O-CB 3.17Å; W771-V783 PolarHBondContact O-N 3.34Å
784	Y	94.6	Very high	86.1	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146.7	-176.2	-54.6	-101.3	0	0	0	109.9	I692 M733 M734 A736 T745 L754 V768 T769 G782 R786	I692-Y784 HydrophobicContact CG2-CE1 3.92Å; I692-Y784 WeakPolarHBondContact CG2-OH 3.3Å; M733-Y784 CarbonylContact C-O 3.48Å; M733-Y784 WeakPolarHBondContact CA-O 2.93Å; M734-Y784 PolarHBondContact N-O 3.49Å; M734-Y784 PolarHBondContact O-N 3.32Å; A736-Y784 HydrophobicContact CB-CD2 4.15Å; A736-Y784 HydrophobicContact CB-CE2 3.72Å; T745-Y784 HydrophobicContact CG2-CE1 3.95Å; T745-Y784 WeakPolarHBondContact CG2-OH 3.37Å; L754-Y784 HydrophobicContact CB-CD1 3.81Å; L754-Y784 HydrophobicContact CB-CE1 3.98Å; L754-Y784 HydrophobicContact CB-CG 4.44Å; L754-Y784 HydrophobicContact CD2-CD1 4.26Å; L754-Y784 HydrophobicContact CD2-CD2 4.2Å; L754-Y784 HydrophobicContact CD2-CG 4.1Å; V768-Y784 CarbonylContact O-C 3.56Å; V768-Y784 VanDerWaalsContact O-CA 3.22Å; V768-Y784 WeakPolarHBondContact O-CA 3.5Å; V768-Y784 WeakPolarHBondContact O-CB 3.31Å; T769-Y784 HydrophobicContact CG2-CE1 4.44Å; G782-Y784 WeakPolarHBondContact O-CD2 3.03Å; G782-Y784 VanDerWaalsContact O-CE2 3.22Å; G782-Y784 WeakPolarHBondContact O-CE2 3.43Å; Y784-R786 PolarHBondContact O-N 2.04Å
785	T	94.8	Very high	87.2	Confident	1 Å²	1	37 Å²	37	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	123.2	167.1	-55.6	0	0	0	0	108.7	D656 V657 G767 V768 V787 V790	D656-T785 PolarHBondContact O-OG1 3.31Å; V657-T785 HydrophobicContact CB-CG2 4.13Å; V657-T785 HydrophobicContact CG1-CG2 4.42Å; G767-T785 CarbonylContact C-O 3.57Å; G767-T785 WeakPolarHBondContact CA-O 3.45Å; V768-T785 PolarHBondContact N-O 2.91Å; V768-T785 PolarHBondContact O-N 2.75Å; T785-V787 PolarHBondContact O-N 3.45Å; T785-V790 HydrophobicContact CG2-CG1 4.42Å
786	R	94.6	Very high	88.1	Confident	64 Å²	64	40.8 Å²	40.8	24%	0.242	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	112.6	-176.3	-176.7	-175.2	-67.2	-96.3	1.6	110.4	P731 S732 M733 M734 Y784 T788 S789	P731-R786 PolarHBondContact O-NE 3.28Å; S732-R786 VanDerWaalsContact O-CB 3.29Å; S732-R786 WeakPolarHBondContact O-CB 3.13Å; S732-R786 PolarHBondContact O-N 3.19Å; M733-R786 PolarHBondContact O-NE 2.98Å; M733-R786 VanDerWaalsContact O-NE 3.08Å; M733-R786 PolarHBondContact O-NH2 3.35Å; M734-R786 HydrophobicContact CB-CB 4.18Å; M734-R786 HydrophobicContact CB-CG 4.41Å; M734-R786 HydrophobicContact CG-CB 4.17Å; M734-R786 HydrophobicContact SD-CB 4.31Å; M734-R786 HydrophobicContact SD-CG 4.22Å; Y784-R786 PolarHBondContact O-N 2.04Å; R786-T788 VanDerWaalsContact C-N 3.33Å; R786-T788 WeakPolarHBondContact CG-OG1 3.41Å; R786-T788 PolarHBondContact O-N 2.78Å; R786-S789 WeakPolarHBondContact O-CB 3.22Å; R786-S789 PolarHBondContact O-N 2.88Å; R786-S789 VanDerWaalsContact O-N 3.16Å; R786-S789 PolarHBondContact O-OG 3.41Å
787	V	94.7	Very high	89	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.8	-34	-173.3	178.6	0	0	0	0	112.8	L605 L677 P678 I765 A766 V768 T785 S789 V790 R791 I794	L605-V787 HydrophobicContact CD2-CG2 4.1Å; L677-V787 HydrophobicContact CD2-CG1 4.13Å; P678-V787 HydrophobicContact CG-CB 4.17Å; P678-V787 HydrophobicContact CG-CG1 3.9Å; I765-V787 HydrophobicContact CD1-CG2 4.35Å; I765-V787 HydrophobicContact CG1-CG2 4.03Å; I765-V787 HydrophobicContact CG2-CG1 4.21Å; I765-V787 HydrophobicContact CG2-CG2 4.36Å; A766-V787 PolarHBondContact O-N 2.9Å; V768-V787 HydrophobicContact CG2-CG2 4.11Å; T785-V787 PolarHBondContact O-N 3.45Å; V787-S789 PolarHBondContact O-N 2.99Å; V787-V790 CarbonylContact O-C 3.59Å; V787-V790 WeakPolarHBondContact O-CG2 3.18Å; V787-V790 PolarHBondContact O-N 2.76Å; V787-V790 VanDerWaalsContact O-N 3.12Å; V787-R791 PolarHBondContact O-N 3.37Å; V787-I794 HydrophobicContact CG1-CD1 4.14Å
788	T	91.9	Very high	89.3	Confident	20 Å²	20	37 Å²	37	12%	0.123	20%	0.198	C	C	.	.	H	α-helix	trans	-59.2	-33.7	177.1	55.9	0	0	0	0	112.4	P678 S679 H682 F684 R786 R791	P678-T788 HydrophobicContact CB-CG2 3.94Å; P678-T788 HydrophobicContact CG-CG2 3.9Å; S679-T788 WeakPolarHBondContact O-CG2 3.34Å; H682-T788 HydrophobicContact CB-CG2 4.2Å; F684-T788 HydrophobicContact CE2-CG2 4.04Å; R786-T788 VanDerWaalsContact C-N 3.33Å; R786-T788 WeakPolarHBondContact CG-OG1 3.41Å; R786-T788 PolarHBondContact O-N 2.78Å; T788-R791 WeakPolarHBondContact O-CB 3.23Å
789	S	91.5	Very high	88.1	Confident	52 Å²	52	37.9 Å²	37.9	36%	0.364	21%	0.206	S	C	.	.	H	α-helix	trans	-69.3	-34.4	177.6	75.8	0	0	0	0	113.1	R786 V787	R786-S789 WeakPolarHBondContact O-CB 3.22Å; R786-S789 PolarHBondContact O-N 2.88Å; R786-S789 VanDerWaalsContact O-N 3.16Å; R786-S789 PolarHBondContact O-OG 3.41Å; V787-S789 PolarHBondContact O-N 2.99Å
790	V	91.7	Very high	86.9	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.012	22%	0.22	C	C	.	.	H	α-helix	trans	-98.8	-0.9	-178.3	-62.9	0	0	0	0	113.1	V657 T785 V787 K792 W793 I794	V657-V790 HydrophobicContact CG1-CB 4.32Å; V657-V790 HydrophobicContact CG1-CG1 4.01Å; V657-V790 HydrophobicContact CG1-CG2 4.34Å; T785-V790 HydrophobicContact CG2-CG1 4.42Å; V787-V790 CarbonylContact O-C 3.59Å; V787-V790 WeakPolarHBondContact O-CG2 3.18Å; V787-V790 PolarHBondContact O-N 2.76Å; V787-V790 VanDerWaalsContact O-N 3.12Å; V790-K792 VanDerWaalsContact C-N 3.27Å; V790-K792 PolarHBondContact O-N 2.7Å; V790-W793 WeakPolarHBondContact O-CB 3.5Å; V790-W793 PolarHBondContact O-N 3.14Å; V790-I794 HydrophobicContact CG2-CD1 4.28Å; V790-I794 WeakPolarHBondContact O-CG1 3.42Å; V790-I794 PolarHBondContact O-N 3.05Å
791	R	89.9	Confident	87.1	Confident	15 Å²	15	41 Å²	41	6%	0.057	22%	0.215	C	C	.	.	H	α-helix	trans	-54.1	-41.6	-179	178.5	59.7	171.5	109	-2.8	112.7	E540 P678 P680 V787 T788 W793 I794 S795 F800	E540-R791 IonicContact OE1-NH2 3.33Å; P678-R791 WeakPolarHBondContact O-CD 3.37Å; P678-R791 WeakPolarHBondContact O-CG 3.32Å; P678-R791 PolarHBondContact O-NE 3.01Å; P680-R791 HydrophobicContact CG-CB 4.22Å; P680-R791 HydrophobicContact CG-CG 3.78Å; V787-R791 PolarHBondContact O-N 3.37Å; T788-R791 WeakPolarHBondContact O-CB 3.23Å; R791-W793 VanDerWaalsContact C-N 3.33Å; R791-W793 PolarHBondContact O-N 2.67Å; R791-I794 PolarHBondContact O-N 3.37Å; R791-S795 PolarHBondContact NH1-OG 3.21Å; R791-S795 PolarHBondContact O-N 3.3Å; R791-S795 PolarHBondContact O-OG 3Å; R791-S795 VanDerWaalsContact O-OG 3.11Å; R791-F800 VanDerWaalsContact NH1-CD2 3.34Å
792	K	88.5	Confident	87.1	Confident	174 Å²	174	42.9 Å²	42.9	76%	0.757	23%	0.225	S	C	*	.	H	α-helix	trans	-61.4	-41.2	177.5	-174.4	176.3	-178.9	177.7	0	111.9	V790 S795 T796	V790-K792 VanDerWaalsContact C-N 3.27Å; V790-K792 PolarHBondContact O-N 2.7Å; K792-S795 PolarHBondContact O-N 2.97Å; K792-T796 PolarHBondContact O-N 3.39Å
793	W	92.2	Very high	87	Confident	31 Å²	31	45.3 Å²	45.3	12%	0.117	24%	0.237	C	C	.	.	H	α-helix	trans	-67.2	-40.6	176.1	168.3	81.3	0	0	0	111.5	I643 H645 V657 L659 V790 R791 S795 T796 H797	I643-W793 HydrophobicContact CG2-CZ2 4.17Å; H645-W793 HydrophobicContact CB-CH2 4.36Å; H645-W793 HydrophobicContact CB-CZ2 4.21Å; H645-W793 AromaticContact CD2-CD1 3.94Å; H645-W793 AromaticContact CD2-CD2 3.38Å; H645-W793 AromaticContact CD2-CE2 3.69Å; H645-W793 AromaticContact CD2-CE3 3.69Å; H645-W793 AromaticContact CD2-CG 3.56Å; H645-W793 AromaticContact NE2-CG 3.71Å; V657-W793 HydrophobicContact CG1-CE3 4.42Å; V657-W793 HydrophobicContact CG1-CH2 4.47Å; V657-W793 HydrophobicContact CG1-CZ3 3.94Å; V657-W793 HydrophobicContact CG2-CZ3 4.31Å; L659-W793 HydrophobicContact CB-CH2 4.07Å; L659-W793 HydrophobicContact CD1-CE3 4.35Å; L659-W793 HydrophobicContact CD1-CH2 3.75Å; L659-W793 HydrophobicContact CD1-CZ2 4.16Å; L659-W793 HydrophobicContact CD1-CZ3 3.85Å; L659-W793 HydrophobicContact CG-CH2 3.54Å; L659-W793 HydrophobicContact CG-CZ2 4.35Å; L659-W793 HydrophobicContact CG-CZ3 3.68Å; V790-W793 WeakPolarHBondContact O-CB 3.5Å; V790-W793 PolarHBondContact O-N 3.14Å; R791-W793 VanDerWaalsContact C-N 3.33Å; R791-W793 PolarHBondContact O-N 2.67Å; W793-S795 VanDerWaalsContact C-N 3.3Å; W793-S795 PolarHBondContact O-N 3.12Å; W793-T796 PolarHBondContact O-N 3.25Å; W793-T796 VanDerWaalsContact O-N 3.08Å; W793-T796 PolarHBondContact O-OG1 3.02Å; W793-H797 AromaticContact NE1-CE1 3.67Å; W793-H797 PolarHBondContact O-ND1 3.08Å
794	I	91.7	Very high	86.7	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-57.6	-44.5	175.3	-62.4	172.9	0	0	0	110.7	I599 L605 L677 V787 V790 R791 T796 H797 L798 F800	I599-I794 HydrophobicContact CD1-CG2 4.24Å; L605-I794 HydrophobicContact CD1-CD1 4.07Å; L605-I794 HydrophobicContact CD1-CG1 4.5Å; L605-I794 HydrophobicContact CD2-CD1 4.35Å; L677-I794 HydrophobicContact CD1-CG2 3.97Å; L677-I794 HydrophobicContact CD2-CD1 4.1Å; V787-I794 HydrophobicContact CG1-CD1 4.14Å; V790-I794 HydrophobicContact CG2-CD1 4.28Å; V790-I794 WeakPolarHBondContact O-CG1 3.42Å; V790-I794 PolarHBondContact O-N 3.05Å; R791-I794 PolarHBondContact O-N 3.37Å; I794-T796 PolarHBondContact O-N 3.08Å; I794-T796 VanDerWaalsContact O-N 3.16Å; I794-H797 PolarHBondContact O-N 3.41Å; I794-H797 VanDerWaalsContact O-N 3.08Å; I794-L798 HydrophobicContact CG2-CD1 3.66Å; I794-L798 PolarHBondContact O-N 3.19Å; I794-L798 VanDerWaalsContact O-N 3.09Å; I794-F800 HydrophobicContact CG2-CE2 4.44Å
795	S	87.8	Confident	86.2	Confident	54 Å²	54	51 Å²	51	38%	0.378	27%	0.267	S	S	.	.	H	α-helix	trans	-63.2	-18.2	178.2	-54.1	0	0	0	0	114.7	R791 K792 W793 H797 L798	R791-S795 PolarHBondContact NH1-OG 3.21Å; R791-S795 PolarHBondContact O-N 3.3Å; R791-S795 PolarHBondContact O-OG 3Å; R791-S795 VanDerWaalsContact O-OG 3.11Å; K792-S795 PolarHBondContact O-N 2.97Å; W793-S795 VanDerWaalsContact C-N 3.3Å; W793-S795 PolarHBondContact O-N 3.12Å; S795-H797 PolarHBondContact O-N 3.29Å; S795-L798 VanDerWaalsContact O-O 3.13Å
796	T	88.8	Confident	85.6	Confident	99 Å²	99	54.3 Å²	54.3	61%	0.607	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-18.9	175.5	64	0	0	0	0	112.9	K792 W793 I794	K792-T796 PolarHBondContact O-N 3.39Å; W793-T796 PolarHBondContact O-N 3.25Å; W793-T796 VanDerWaalsContact O-N 3.08Å; W793-T796 PolarHBondContact O-OG1 3.02Å; I794-T796 PolarHBondContact O-N 3.08Å; I794-T796 VanDerWaalsContact O-N 3.16Å
797	H	86.6	Confident	85	Confident	57 Å²	57	53.6 Å²	53.6	26%	0.264	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-29.2	-177.7	-63.8	87.3	0	0	0	112.8	W603 L659 W793 I794 S795	W603-H797 HydrophobicContact CH2-CB 4.15Å; W603-H797 HydrophobicContact CZ3-CB 4.48Å; L659-H797 HydrophobicContact CD1-CB 3.94Å; W793-H797 AromaticContact NE1-CE1 3.67Å; W793-H797 PolarHBondContact O-ND1 3.08Å; I794-H797 PolarHBondContact O-N 3.41Å; I794-H797 VanDerWaalsContact O-N 3.08Å; S795-H797 PolarHBondContact O-N 3.29Å
798	L	81.4	Confident	84.3	Confident	5 Å²	5	57.8 Å²	57.8	3%	0.026	31%	0.31	C	S	.	.	S	Bend	trans	-107.9	116.1	174.3	-71.6	103.2	0	0	0	110.1	I599 H600 W603 L659 I794 S795 F800	I599-L798 HydrophobicContact CD1-CD1 4.18Å; H600-L798 HydrophobicContact CB-CD2 3.56Å; W603-L798 HydrophobicContact CB-CD1 4.33Å; W603-L798 HydrophobicContact CB-CD2 3.83Å; W603-L798 HydrophobicContact CB-CG 4.4Å; W603-L798 VanDerWaalsContact CD1-CD2 3.43Å; W603-L798 HydrophobicContact CD2-CD1 4.12Å; W603-L798 HydrophobicContact CD2-CD2 4.41Å; W603-L798 HydrophobicContact CD2-CG 4.13Å; W603-L798 HydrophobicContact CE3-CD1 4.44Å; W603-L798 HydrophobicContact CG-CD1 4.08Å; W603-L798 HydrophobicContact CG-CD2 3.64Å; W603-L798 HydrophobicContact CG-CG 3.87Å; L659-L798 HydrophobicContact CD1-CD1 4.28Å; L659-L798 HydrophobicContact CD2-CD1 4.25Å; I794-L798 HydrophobicContact CG2-CD1 3.66Å; I794-L798 PolarHBondContact O-N 3.19Å; I794-L798 VanDerWaalsContact O-N 3.09Å; S795-L798 VanDerWaalsContact O-O 3.13Å; L798-F800 HydrophobicContact CB-CD2 4.21Å; L798-F800 HydrophobicContact CB-CE2 3.49Å; L798-F800 VanDerWaalsContact CB-CE2 3.49Å; L798-F800 HydrophobicContact CB-CZ 3.68Å; L798-F800 HydrophobicContact CD2-CZ 3.97Å; L798-F800 HydrophobicContact CG-CZ 4.35Å; L798-F800 WeakPolarHBondContact O-CD2 3.34Å; L798-F800 PolarHBondContact O-N 3.22Å
799	P	56.6	Low	83.6	Confident	123 Å²	123	60.9 Å²	60.9	80%	0.799	33%	0.325	S	S	*	.			trans	-72.5	114.7	166.9	29.2	-29.1	0	0	0	108.1
800	F	56.7	Low	82.9	Confident	119 Å²	119	61.7 Å²	61.7	52%	0.522	32%	0.322	S	S	.	.			trans	-93	0	168.8	-66	-80.2	0	0	0	109.5	N555 L677 R791 I794 L798	N555-F800 PolarHBondContact ND2-OXT 3.16Å; L677-F800 HydrophobicContact CD1-CE1 3.93Å; L677-F800 HydrophobicContact CD1-CE2 4.1Å; L677-F800 HydrophobicContact CD1-CZ 3.29Å; R791-F800 VanDerWaalsContact NH1-CD2 3.34Å; I794-F800 HydrophobicContact CG2-CE2 4.44Å; L798-F800 HydrophobicContact CB-CD2 4.21Å; L798-F800 HydrophobicContact CB-CE2 3.49Å; L798-F800 VanDerWaalsContact CB-CE2 3.49Å; L798-F800 HydrophobicContact CB-CZ 3.68Å; L798-F800 HydrophobicContact CD2-CZ 3.97Å; L798-F800 HydrophobicContact CG-CZ 4.35Å; L798-F800 WeakPolarHBondContact O-CD2 3.34Å; L798-F800 PolarHBondContact O-N 3.22Å

Retrieved 800 of 800 residues in 4943.7 ms (Link to these results)

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