A0A3Q0KMT5_SCHMA Loading...

Calpain C (C02 family)

AlphaFold DB , UniProt , Accession A0A3Q0KMT5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 810 aa.

						>A0A3Q0KMT5_SCHMA|A0A3Q0KMT5
MQSNPTSNYSMENKLENLNICGNAFGYGHNSSSQYKLRDKTGYPPDTPQKYVNDMRTARHNTRAMLFDPERSPLSSKVTENNYCRASPSPMVNRPSTVFSPVGGPSSSFEKIRQDLLNSGHLFCDSAFPADDSSLYYSQRPPCQIVWMRPSEIVAANSGGGSMGITPRKISTPEFIGEGGIKLGELRQGELGDCWVVAALAAIASQPSLLSRTIPTGQSFRVEWYAGIFAFRFWRFGRWEEVYIDDRLPVKSGGQPLFVHSGRSTEFWPTLLEKAYAKLNGSYEALNVGLVGDAMDDLTGGLTESYTLPGAEDHGLQPPADLDDILIKSFDRRSLITARIKTKGVPGPGFVIPVGFVPGQAFGLTDCRKLRLTDASGSRLLRLVRLRNLWPSVRVDWTGAWSEGSTEWLSLPPQDRLKVGLVKAQEEFWMSLEDFIANFDYLDICHLTEPPPVISKSSSAYHSLHNFPSVHLRGRWLRGVSCGGRPYIRASHWANPQFRLVINSPDPNDPDGFATTVIALMQADRRRLRHRAPRLASIGFVLYRLPAGANPPMPRGFFETNHHIASVDFFFDSREVVKRLKLTPGHYLLVPCTYAADQPGEFLLRLLFDNPDRICESTLERVELSGLAATGPEPDPNYELFQPRLRRLFYEASGESMAVDAFQLEPILNCLLRDDHRAPYSMVSTDACRSLVALLDRDGTGRLCESDFRRVWDILRSWSRLFASFDPQRTAHVTSLDFRIIVEQAGYTLPHTLFSKLVNRFVNVDWRLDYPHFISAMSLITKAVAIFKNFDHGGRAVLPLEQFVEIAMTM
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.9	Very low	34.1	Very low	252 Å²	252	154.1 Å²	154.1	100%	1.241	83%	0.833	S	S	*	*				0	129.9	0	-88.9	173.4	157.4	0	0	108.1
2	Q	34.4	Very low	33.5	Very low	191 Å²	191	154.1 Å²	154.1	89%	0.893	82%	0.823	S	S	*	*			trans	-72.2	145.9	-170	-64.4	158.4	-29	0	0	112.4
3	S	36.5	Very low	33.3	Very low	125 Å²	125	152.5 Å²	152.5	87%	0.874	82%	0.815	S	S	*	*				176.8	140.1	109.8	40.9	0	0	0	0	112.2
4	N	32.7	Very low	33.1	Very low	156 Å²	156	155.4 Å²	155.4	83%	0.834	82%	0.816	S	S	*	*			trans	-99	-166.9	-170.3	-115.2	-1	0	0	0	109.5
5	P	48.7	Very low	32.4	Very low	94 Å²	94	156.5 Å²	156.5	61%	0.61	82%	0.822	S	S	*	*				-144.8	-159.3	-57.7	41.5	-21.1	0	0	0	113.6
6	T	35.4	Very low	32.1	Very low	133 Å²	133	157.8 Å²	157.8	82%	0.816	82%	0.822	S	S	*	*			trans	82.9	139.6	157.8	53.6	0	0	0	0	119.4
7	S	34.9	Very low	31.9	Very low	96 Å²	96	156.5 Å²	156.5	67%	0.671	82%	0.817	S	S	*	*			cis	-167.2	158.6	7.4	53	0	0	0	0	113.5
8	N	29	Very low	31.8	Very low	143 Å²	143	156.6 Å²	156.6	77%	0.765	82%	0.818	S	S	*	*			trans	64.3	119.8	143.4	-65.4	-11.5	0	0	0	122.8
9	Y	30.1	Very low	31.7	Very low	242 Å²	242	156.5 Å²	156.5	95%	0.949	82%	0.818	S	S	*	*				-161.5	138.7	103.7	-104.9	-80.8	0	0	0	110.7
10	S	26.7	Very low	31.3	Very low	102 Å²	102	156.7 Å²	156.7	71%	0.713	82%	0.818	S	S	*	*			trans	-127.2	135.4	176.2	156.1	0	0	0	0	107.9
11	M	30.3	Very low	31.1	Very low	161 Å²	161	155.7 Å²	155.7	79%	0.793	82%	0.823	S	S	*	*			trans	178.6	122.4	132.4	-100.5	-164.4	-147.1	0	0	112.5
12	E	27.6	Very low	30.6	Very low	154 Å²	154	146.9 Å²	146.9	72%	0.72	80%	0.796	S	S	*	*			trans	50.1	115.4	130.4	-61.8	178.9	165.6	0	0	121.4
13	N	30.5	Very low	30.3	Very low	133 Å²	133	145.5 Å²	145.5	71%	0.711	80%	0.795	S	S	*	*				-179.6	132.4	100.7	-98.9	-62.8	0	0	0	114.7
14	K	30.3	Very low	29.6	Very low	193 Å²	193	143.5 Å²	143.5	84%	0.839	79%	0.786	S	S	*	*			trans	76.4	90.9	142.5	-67.4	176.3	-178.3	-178.8	0	120.9
15	L	23.7	Very low	29.4	Very low	172 Å²	172	145.9 Å²	145.9	90%	0.901	79%	0.79	S	S	*	*			trans	-96.5	133.3	135.7	-89.9	149.1	0	0	0	108.3
16	E	27.2	Very low	28.1	Very low	177 Å²	177	144.4 Å²	144.4	83%	0.827	79%	0.792	S	S	*	*				170.2	145.4	129.7	-95.8	179.7	-177.7	0	0	112.9
17	N	29.4	Very low	27.7	Very low	137 Å²	137	148.8 Å²	148.8	73%	0.733	80%	0.795	S	S	*	*			trans	86.7	95	166.2	-58.5	-34.2	0	0	0	119.2
18	L	29.1	Very low	27.2	Very low	158 Å²	158	147.4 Å²	147.4	83%	0.827	80%	0.796	S	S	*	*				-173.3	107.8	102.9	-97.6	154.5	0	0	0	112.9
19	N	29.6	Very low	27.1	Very low	154 Å²	154	148.8 Å²	148.8	82%	0.824	80%	0.797	S	S	*	*			trans	48.4	123.5	137.6	-73.3	-14.5	0	0	0	123.7
20	I	23.4	Very low	26.9	Very low	161 Å²	161	145.1 Å²	145.1	83%	0.826	79%	0.794	S	S	*	*			trans	-84.6	140.1	172	-65.8	156.2	0	0	0	110.6
21	C	27.8	Very low	26.8	Very low	136 Å²	136	145 Å²	145	92%	0.919	79%	0.793	S	S	*	*			trans	175.4	128	144.6	-95.8	0	0	0	0	105.8
22	G	26	Very low	26.6	Very low	66 Å²	66	143 Å²	143	68%	0.68	80%	0.795	S	S	*	*			cis	159.5	132.6	5.6	0	0	0	0	0	107.7
23	N	27.5	Very low	26.6	Very low	163 Å²	163	139.9 Å²	139.9	87%	0.872	79%	0.79	S	S	*	*			trans	73.1	105.1	156.4	-64.1	-9.5	0	0	0	122.6
24	A	22.8	Very low	26.4	Very low	83 Å²	83	141.4 Å²	141.4	69%	0.686	79%	0.793	S	S	*	*				28.9	123.8	116.1	0	0	0	0	0	120.1
25	F	27.7	Very low	26.2	Very low	206 Å²	206	142 Å²	142	90%	0.904	79%	0.792	S	S	*	*				-170.1	130	112.4	-98.6	-74.3	0	0	0	109.2
26	G	22.1	Very low	26.3	Very low	63 Å²	63	142 Å²	142	65%	0.649	78%	0.784	S	S	*	*			trans	-88.2	148.1	169.2	0	0	0	0	0	111.1
27	Y	27	Very low	26.4	Very low	225 Å²	225	139.4 Å²	139.4	88%	0.882	78%	0.775	S	S	*	*			trans	-161.6	124.9	144.7	-95.2	-73.5	0	0	0	107.8
28	G	23.6	Very low	26.4	Very low	67 Å²	67	143.5 Å²	143.5	69%	0.691	78%	0.781	S	S	*	*			trans	-73.9	140.5	164.9	0	0	0	0	0	110.1
29	H	27.6	Very low	26.6	Very low	172 Å²	172	140.8 Å²	140.8	80%	0.796	77%	0.767	S	S	*	*			trans	-153.5	115.5	156.3	-109.6	-75.4	0	0	0	110	S31	H29-S31 PolarHBondContact O-N 3.42Å
30	N	24.5	Very low	27	Very low	164 Å²	164	143.8 Å²	143.8	88%	0.877	77%	0.773	S	S	*	*			trans	-52.9	122.1	152.6	-86	-24.6	0	0	0	108.6
31	S	26.2	Very low	27.7	Very low	99 Å²	99	140.5 Å²	140.5	69%	0.692	76%	0.76	S	S	*	*			trans	-153.7	123.9	155.8	59.5	0	0	0	0	111.1	H29 S33	H29-S31 PolarHBondContact O-N 3.42Å; S31-S33 PolarHBondContact O-N 2.8Å
32	S	25	Very low	28.3	Very low	121 Å²	121	136.6 Å²	136.6	85%	0.846	74%	0.743	S	S	*	*			trans	-49.3	100.5	154.8	34.5	0	0	0	0	109.6	Q34	S32-Q34 PolarHBondContact O-N 2.73Å
33	S	28.3	Very low	29	Very low	87 Å²	87	137.8 Å²	137.8	61%	0.608	73%	0.728	S	S	*	*			trans	-78.9	90.1	177.7	62.9	0	0	0	0	110.2	S31 Y35	S31-S33 PolarHBondContact O-N 2.8Å; S33-Y35 PolarHBondContact O-N 2.86Å
34	Q	25.5	Very low	30.4	Very low	166 Å²	166	132.5 Å²	132.5	78%	0.776	70%	0.702	S	S	*	*			trans	-55.1	112.6	141.8	-77.9	-176.8	-10.9	0	0	107.2	S32 K36	S32-Q34 PolarHBondContact O-N 2.73Å; Q34-K36 PolarHBondContact O-N 3.32Å
35	Y	26.5	Very low	32.3	Very low	206 Å²	206	132.2 Å²	132.2	81%	0.808	69%	0.693	S	S	*	*			trans	-62.3	97.3	170	-85.1	-91.1	0	0	0	109.4	S33	S33-Y35 PolarHBondContact O-N 2.86Å
36	K	25.9	Very low	34.5	Very low	172 Å²	172	125.3 Å²	125.3	75%	0.748	67%	0.666	S	S	*	*			trans	-100.4	76.4	159.4	-88	-176.8	178.4	171.5	0	108.8	Q34	Q34-K36 PolarHBondContact O-N 3.32Å
37	L	29.7	Very low	37.3	Very low	122 Å²	122	123 Å²	123	64%	0.639	64%	0.639	S	S	*	*			trans	-94.2	85.4	150.5	-95	149.3	0	0	0	106.4	D39	L37-D39 VanDerWaalsContact C-N 3.32Å; L37-D39 PolarHBondContact O-N 3.17Å
38	R	28.6	Very low	40	Very low	223 Å²	223	115.3 Å²	115.3	84%	0.842	62%	0.616	S	S	*	*			trans	-75.3	95.4	159.9	-90.7	-174.4	173.3	-179.8	-2.6	106.2
39	D	33.2	Very low	42.8	Very low	100 Å²	100	114.8 Å²	114.8	54%	0.535	60%	0.596	S	S	.	*			trans	-54.7	144.3	159.6	-119.7	-25	0	0	0	108.4	L37 T41 G42	L37-D39 VanDerWaalsContact C-N 3.32Å; L37-D39 PolarHBondContact O-N 3.17Å; D39-T41 PolarHBondContact O-N 2.77Å; D39-G42 PolarHBondContact O-N 2.83Å; D39-G42 VanDerWaalsContact O-N 3.07Å
40	K	38.7	Very low	45.1	Very low	218 Å²	218	108.9 Å²	108.9	95%	0.948	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	6.7	-176.1	-76.2	-178.1	176.2	177.8	0	114.6
41	T	37.8	Very low	47.5	Very low	91 Å²	91	105.9 Å²	105.9	56%	0.558	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	-2	178.7	59.9	0	0	0	0	113.6	D39 Y43	D39-T41 PolarHBondContact O-N 2.77Å; T41-Y43 WeakPolarHBondContact O-CD2 3.41Å; T41-Y43 WeakPolarHBondContact O-CE2 3.41Å; T41-Y43 PolarHBondContact O-N 2.89Å
42	G	40.6	Very low	49.4	Very low	55 Å²	55	102.4 Å²	102.4	57%	0.567	52%	0.52	S	S	*	.	S	Bend	trans	72.9	1.3	177.1	0	0	0	0	0	115.1	D39	D39-G42 PolarHBondContact O-N 2.83Å; D39-G42 VanDerWaalsContact O-N 3.07Å
43	Y	40.7	Very low	50.8	Low	91 Å²	91	101.5 Å²	101.5	36%	0.357	51%	0.506	S	S	.	.	S	Bend	trans	-91	144.1	177.2	-62	-70.5	0	0	0	111.2	T41 R489 H562	T41-Y43 WeakPolarHBondContact O-CD2 3.41Å; T41-Y43 WeakPolarHBondContact O-CE2 3.41Å; T41-Y43 PolarHBondContact O-N 2.89Å; Y43-R489 VanDerWaalsContact CD1-NH2 3.26Å; Y43-R489 VanDerWaalsContact CE2-NH2 3.32Å; Y43-R489 PolarHBondContact OH-NH1 2.62Å; Y43-R489 VanDerWaalsContact OH-NH1 3.14Å; Y43-H562 AromaticContact CD1-CE1 3.31Å; Y43-H562 WeakPolarHBondContact CD1-CE1 3.32Å; Y43-H562 AromaticContact CD1-NE2 3.9Å; Y43-H562 AromaticContact CE1-CE1 3.48Å; Y43-H562 VanDerWaalsContact CE1-CE1 3.48Å; Y43-H562 WeakPolarHBondContact CE1-CE1 3.06Å
44	P	57.2	Low	51.7	Low	52 Å²	52	102.1 Å²	102.1	34%	0.338	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-60	142.5	168.6	24.5	-30.9	0	0	0	109.7	D46 H562	P44-D46 PolarHBondContact O-N 3Å; P44-H562 HydrophobicContact CG-CB 4.35Å
45	P	62.3	Low	52.5	Low	77 Å²	77	97 Å²	97	50%	0.5	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-56.5	139.2	178	21.7	-31.3	0	0	0	110.7	T47	P45-T47 PolarHBondContact O-N 3.35Å
46	D	74.5	Confident	53.2	Low	61 Å²	61	91.8 Å²	91.8	33%	0.326	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-58.4	137.5	179.4	-170.8	23.7	0	0	0	110.1	P44 P48 R485	P44-D46 PolarHBondContact O-N 3Å; D46-P48 WeakPolarHBondContact O-CD 3.21Å; D46-R485 IonicContact OD1-NE 3.86Å; D46-R485 PolarHBondContact OD1-NE 3.43Å; D46-R485 IonicContact OD2-CZ 2.83Å; D46-R485 VanDerWaalsContact OD2-CZ 3.25Å; D46-R485 IonicContact OD2-NE 3.46Å; D46-R485 PolarHBondContact OD2-NE 2.87Å; D46-R485 IonicContact OD2-NH2 2.88Å; D46-R485 PolarHBondContact OD2-NH2 3.41Å
47	T	80.7	Confident	53.3	Low	14 Å²	14	88.7 Å²	88.7	9%	0.086	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-68.6	120.8	175.9	-60.3	0	0	0	0	108.7	P45 S566 V567 F570	P45-T47 PolarHBondContact O-N 3.35Å; T47-S566 PolarHBondContact OG1-OG 3.37Å; T47-V567 HydrophobicContact CG2-CG2 4.34Å; T47-V567 WeakPolarHBondContact CG2-O 3.3Å; T47-F570 HydrophobicContact CG2-CD2 3.76Å; T47-F570 HydrophobicContact CG2-CE2 4.02Å
48	P	82.4	Confident	53.2	Low	63 Å²	63	85 Å²	85	41%	0.409	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-65.5	154.1	-175.7	22.8	-31.2	0	0	0	113.1	D46 F569 F570	D46-P48 WeakPolarHBondContact O-CD 3.21Å; P48-F569 HydrophobicContact CB-CD1 4.17Å; P48-F569 HydrophobicContact CB-CE1 4.49Å; P48-F569 HydrophobicContact CG-CD1 3.53Å; P48-F569 HydrophobicContact CG-CE1 3.64Å; P48-F569 WeakPolarHBondContact O-CA 3.41Å; P48-F570 PolarHBondContact O-N 3.43Å
49	Q	82.3	Confident	53.2	Low	56 Å²	56	84.1 Å²	84.1	26%	0.262	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	143	167.3	-160.3	-180	4.6	0	0	109.8	Y51 S537 F570 Y594	Q49-Y51 PolarHBondContact NE2-OH 2.88Å; Q49-Y51 PolarHBondContact OE1-OH 3.48Å; Q49-S537 PolarHBondContact NE2-OG 2.87Å; Q49-F570 WeakPolarHBondContact CA-O 3.37Å; Q49-Y594 HydrophobicContact CB-CD1 4.16Å; Q49-Y594 HydrophobicContact CB-CD2 3.9Å; Q49-Y594 HydrophobicContact CB-CE1 3.82Å; Q49-Y594 HydrophobicContact CB-CE2 3.56Å; Q49-Y594 HydrophobicContact CB-CG 4.18Å; Q49-Y594 HydrophobicContact CG-CD1 3.91Å; Q49-Y594 HydrophobicContact CG-CD2 4.07Å; Q49-Y594 HydrophobicContact CG-CE1 4.04Å; Q49-Y594 HydrophobicContact CG-CE2 4.22Å; Q49-Y594 HydrophobicContact CG-CG 3.91Å
50	K	77.3	Confident	52.9	Low	49 Å²	49	88.6 Å²	88.6	21%	0.213	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	156.7	165.8	-81.1	-173.7	174.6	172.4	0	110.2	H314 F569 F570 F571	K50-H314 PolarHBondContact NZ-O 3.27Å; K50-F569 HydrophobicContact CB-CB 4.26Å; K50-F569 HydrophobicContact CD-CB 4.28Å; K50-F569 HydrophobicContact CD-CD1 3.48Å; K50-F569 VanDerWaalsContact CD-CD1 3.48Å; K50-F569 HydrophobicContact CD-CD2 4.14Å; K50-F569 HydrophobicContact CD-CE1 3.86Å; K50-F569 HydrophobicContact CD-CE2 4.43Å; K50-F569 HydrophobicContact CD-CG 3.69Å; K50-F569 HydrophobicContact CD-CZ 4.33Å; K50-F569 HydrophobicContact CG-CB 4.32Å; K50-F569 HydrophobicContact CG-CD1 3.7Å; K50-F569 HydrophobicContact CG-CE1 4.37Å; K50-F569 HydrophobicContact CG-CG 4.09Å; K50-F569 VanDerWaalsContact NZ-CZ 3.27Å; K50-F570 PolarHBondContact N-O 3.24Å; K50-F571 HydrophobicContact CB-CD2 3.63Å; K50-F571 HydrophobicContact CB-CE2 3.79Å; K50-F571 VanDerWaalsContact O-CD2 3.24Å; K50-F571 WeakPolarHBondContact O-CD2 3.1Å
51	Y	75	Confident	52.4	Low	100 Å²	100	85.6 Å²	85.6	39%	0.392	45%	0.449	S	S	.	.			trans	-112.2	147.5	174	-59.6	-83.9	0	0	0	111.8	Q49 N53 D54 F571 D572	Q49-Y51 PolarHBondContact NE2-OH 2.88Å; Q49-Y51 PolarHBondContact OE1-OH 3.48Å; Y51-N53 PolarHBondContact O-N 2.94Å; Y51-D54 PolarHBondContact N-OD2 3.25Å; Y51-D54 WeakPolarHBondContact O-CB 3.2Å; Y51-D54 PolarHBondContact O-N 3.32Å; Y51-F571 WeakPolarHBondContact O-CE2 3.33Å; Y51-D572 WeakPolarHBondContact CA-OD1 3.33Å; Y51-D572 HydrophobicContact CD1-CB 4.45Å; Y51-D572 WeakPolarHBondContact CD1-OD2 3.44Å
52	V	65.9	Low	51.8	Low	27 Å²	27	87.3 Å²	87.3	16%	0.164	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-57.6	-34.2	176.6	170.1	0	0	0	0	111	M55 F571 D572	V52-M55 PolarHBondContact O-N 3.32Å; V52-F571 HydrophobicContact CB-CE1 4.49Å; V52-F571 HydrophobicContact CB-CZ 4.2Å; V52-F571 HydrophobicContact CG2-CD1 4.13Å; V52-F571 HydrophobicContact CG2-CE1 3.54Å; V52-F571 HydrophobicContact CG2-CE2 4.39Å; V52-F571 HydrophobicContact CG2-CZ 3.69Å; V52-D572 WeakPolarHBondContact CG2-OD1 3.48Å; V52-D572 PolarHBondContact N-OD1 3.34Å
53	N	54.6	Low	51	Low	102 Å²	102	95.1 Å²	95.1	55%	0.545	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-69.2	-31.4	178.5	-74	-14.7	0	0	0	113	Y51 M55 R56 T57	Y51-N53 PolarHBondContact O-N 2.94Å; N53-M55 PolarHBondContact O-N 2.96Å; N53-R56 WeakPolarHBondContact O-CA 3.41Å; N53-R56 PolarHBondContact O-N 2.78Å; N53-T57 PolarHBondContact O-N 3.47Å; N53-T57 PolarHBondContact O-OG1 3.34Å
54	D	47	Very low	50.3	Low	100 Å²	100	94.6 Å²	94.6	54%	0.535	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-64.2	-25.7	178.9	-61.7	-25.6	0	0	0	111.7	Y51	Y51-D54 PolarHBondContact N-OD2 3.25Å; Y51-D54 WeakPolarHBondContact O-CB 3.2Å; Y51-D54 PolarHBondContact O-N 3.32Å
55	M	41.9	Very low	48.8	Very low	57 Å²	57	99 Å²	99	28%	0.281	50%	0.504	S	S	.	.	G	3₁₀ helix	trans	-79.8	-17.8	172.9	-65	-112.1	-90.6	0	0	113.1	V52 N53 D313 F571	V52-M55 PolarHBondContact O-N 3.32Å; N53-M55 PolarHBondContact O-N 2.96Å; M55-D313 HydrophobicContact SD-CB 4.45Å; M55-F571 HydrophobicContact CE-CZ 4.23Å; M55-F571 HydrophobicContact CG-CZ 4.22Å
56	R	40.4	Very low	47	Very low	97 Å²	97	103.2 Å²	103.2	37%	0.366	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-30.1	-178.4	-67.4	-179.3	177.9	-173.9	-3.2	112.7	N53 A58 V288	N53-R56 WeakPolarHBondContact O-CA 3.41Å; N53-R56 PolarHBondContact O-N 2.78Å; R56-A58 PolarHBondContact O-N 2.88Å; R56-V288 PolarHBondContact NH2-O 3.18Å
57	T	29.3	Very low	44.8	Very low	107 Å²	107	109.6 Å²	109.6	66%	0.656	55%	0.547	S	S	*	.			trans	-95.1	70.1	-177.5	39.3	0	0	0	0	113.2	N53	N53-T57 PolarHBondContact O-N 3.47Å; N53-T57 PolarHBondContact O-OG1 3.34Å
58	A	28	Very low	42.3	Very low	44 Å²	44	116.5 Å²	116.5	36%	0.364	58%	0.583	S	S	.	*	S	Bend	trans	-106.7	99.9	151.4	0	0	0	0	0	109	R56 K343	R56-A58 PolarHBondContact O-N 2.88Å; A58-K343 PolarHBondContact O-NZ 3.3Å
59	R	27.3	Very low	39.9	Very low	205 Å²	205	118.6 Å²	118.6	77%	0.774	60%	0.597	S	S	*	*			trans	78.4	87.3	175.3	-55.1	-177.6	179.8	177.9	2	117.5
60	H	28	Very low	37.3	Very low	195 Å²	195	123.3 Å²	123.3	90%	0.903	62%	0.619	S	S	*	*				-117.5	113.5	122.5	-85.7	-51.2	0	0	0	107.7	T62	H60-T62 PolarHBondContact O-N 3.11Å
61	N	26.9	Very low	35	Very low	154 Å²	154	130.4 Å²	130.4	82%	0.824	64%	0.644	S	S	*	*			trans	-58.9	120.8	168.6	-91	-11.8	0	0	0	108.6	R63	N61-R63 PolarHBondContact O-N 2.98Å
62	T	25.3	Very low	32.8	Very low	127 Å²	127	130.5 Å²	130.5	78%	0.779	66%	0.659	S	S	*	*			trans	-22.2	117	152.1	21	0	0	0	0	114.1	H60	H60-T62 PolarHBondContact O-N 3.11Å
63	R	23.9	Very low	31.3	Very low	219 Å²	219	134.2 Å²	134.2	83%	0.826	68%	0.684	S	S	*	*			trans	-118.3	86.8	133.3	-156.9	175.5	-172.9	177	1.8	107	N61 M65	N61-R63 PolarHBondContact O-N 2.98Å; R63-M65 PolarHBondContact O-N 3.35Å; R63-M65 VanDerWaalsContact O-N 3.11Å
64	A	25.7	Very low	30	Very low	81 Å²	81	137.3 Å²	137.3	67%	0.669	70%	0.7	S	S	*	*			trans	-62.2	108	165.5	0	0	0	0	0	107.3	L66	A64-L66 PolarHBondContact O-N 3.25Å
65	M	26.8	Very low	29.2	Very low	143 Å²	143	137.9 Å²	137.9	70%	0.704	71%	0.712	S	S	*	*			trans	-77.6	105.3	161.5	-78.2	-93.1	-177.4	0	0	106.3	R63 F67	R63-M65 PolarHBondContact O-N 3.35Å; R63-M65 VanDerWaalsContact O-N 3.11Å; M65-F67 PolarHBondContact O-N 3.2Å
66	L	23.6	Very low	28.4	Very low	167 Å²	167	139.9 Å²	139.9	87%	0.874	73%	0.731	S	S	*	*			trans	-56.2	123.4	163.8	-71.2	153.2	0	0	0	108.4	A64	A64-L66 PolarHBondContact O-N 3.25Å
67	F	28.9	Very low	27.8	Very low	195 Å²	195	145.2 Å²	145.2	86%	0.855	76%	0.757	S	S	*	*			trans	-127.6	119.7	154.3	-94.3	-79.1	0	0	0	108.5	M65	M65-F67 PolarHBondContact O-N 3.2Å
68	D	28.3	Very low	27.5	Very low	159 Å²	159	146.2 Å²	146.2	85%	0.85	76%	0.763	S	S	*	*			trans	-63.5	148.6	-178	-115.7	-33.3	0	0	0	112.5
69	P	31.5	Very low	27.6	Very low	107 Å²	107	150.2 Å²	150.2	70%	0.695	78%	0.783	S	S	*	*			trans	-104.7	117.6	173.1	34.4	-21.8	0	0	0	111.1
70	E	28.3	Very low	27.5	Very low	154 Å²	154	148.1 Å²	148.1	72%	0.72	78%	0.782	S	S	*	*			trans	-152.2	124.4	154.9	-82.7	-142.8	131	0	0	114.1
71	R	29.6	Very low	27.3	Very low	199 Å²	199	144.2 Å²	144.2	75%	0.751	77%	0.767	S	S	*	*			trans	67.3	101.3	137.5	-65.1	177.8	-168	-153.5	3.9	119.5
72	S	27.1	Very low	27.4	Very low	102 Å²	102	144.8 Å²	144.8	71%	0.713	77%	0.77	S	S	*	*				90.6	162.3	71.3	67.2	0	0	0	0	113.5
73	P	35.6	Very low	27.4	Very low	105 Å²	105	148 Å²	148	68%	0.682	77%	0.77	S	S	*	*			cis	-140.9	-177.6	-37.3	32.2	-10.3	0	0	0	115.6
74	L	26.3	Very low	27.4	Very low	166 Å²	166	143.9 Å²	143.9	87%	0.869	77%	0.773	S	S	*	*			trans	77.7	109.6	152.8	-73.2	151.5	0	0	0	120.8
75	S	30.1	Very low	27.3	Very low	113 Å²	113	150.6 Å²	150.6	79%	0.79	78%	0.781	S	S	*	*				-173.5	127.1	110.4	172	0	0	0	0	111.6
76	S	24.7	Very low	27.2	Very low	99 Å²	99	148 Å²	148	69%	0.692	78%	0.783	S	S	*	*			trans	-52.5	139.6	175.6	50.1	0	0	0	0	116.1
77	K	28.4	Very low	27.1	Very low	209 Å²	209	144.4 Å²	144.4	91%	0.909	77%	0.771	S	S	*	*			trans	-141.3	124.5	131.9	-84.8	-165.6	178.8	176.8	0	110.9
78	V	23.6	Very low	26.9	Very low	128 Å²	128	140.7 Å²	140.7	78%	0.776	77%	0.767	S	S	*	*			trans	-72.4	130.1	169.8	170	0	0	0	0	109.1
79	T	30.3	Very low	26.7	Very low	127 Å²	127	137.9 Å²	137.9	78%	0.779	76%	0.759	S	S	*	*			trans	-173.9	95.5	149.1	33.2	0	0	0	0	105.4
80	E	24.3	Very low	26.3	Very low	161 Å²	161	138.2 Å²	138.2	75%	0.752	76%	0.761	S	S	*	*				55.1	124.5	92.2	-78.5	-169.4	167.7	0	0	115.2
81	N	24.7	Very low	26.2	Very low	113 Å²	113	138.5 Å²	138.5	60%	0.604	77%	0.765	S	S	*	*			trans	61.3	97.7	151.7	-66.6	-25.7	0	0	0	118.3
82	N	28	Very low	25.9	Very low	166 Å²	166	134.5 Å²	134.5	89%	0.888	76%	0.762	S	S	*	*			trans	-139.7	92.1	132.5	-95	-34.7	0	0	0	110.1	C84	N82-C84 PolarHBondContact O-N 3.41Å
83	Y	25.2	Very low	25.8	Very low	196 Å²	196	137.2 Å²	137.2	77%	0.769	77%	0.769	S	S	*	*			trans	-41.2	121.3	158.2	-80.3	-94.9	0	0	0	109.9	R85	Y83-R85 PolarHBondContact O-N 2.86Å
84	C	25.3	Very low	25.1	Very low	131 Å²	131	142.2 Å²	142.2	89%	0.885	77%	0.774	S	S	*	*			trans	-62.1	81.2	157.4	-74.4	0	0	0	0	108.4	N82 A86	N82-C84 PolarHBondContact O-N 3.41Å; C84-A86 PolarHBondContact O-N 3.01Å
85	R	23.1	Very low	25.1	Very low	222 Å²	222	139.8 Å²	139.8	84%	0.838	77%	0.768	S	S	*	*			trans	-68.2	79.5	156.1	-97.8	-175	178.1	177.7	0.4	107.1	Y83 S87	Y83-R85 PolarHBondContact O-N 2.86Å; R85-S87 PolarHBondContact O-N 3.19Å
86	A	24.1	Very low	25.1	Very low	90 Å²	90	139.1 Å²	139.1	74%	0.744	76%	0.764	S	S	*	*			trans	-67.9	87.2	148.4	0	0	0	0	0	105.7	C84 P88	C84-A86 PolarHBondContact O-N 3.01Å; A86-P88 WeakPolarHBondContact O-CD 3.47Å; A86-P88 VanDerWaalsContact O-N 3.14Å
87	S	22.8	Very low	25.5	Very low	90 Å²	90	140.4 Å²	140.4	63%	0.629	77%	0.768	S	S	*	*			trans	-56.4	115.7	168.7	-61.2	0	0	0	0	107.6	R85 S89	R85-S87 PolarHBondContact O-N 3.19Å; S87-S89 VanDerWaalsContact C-N 3.29Å; S87-S89 PolarHBondContact O-N 3.32Å
88	P	24.6	Very low	26.4	Very low	118 Å²	118	136.9 Å²	136.9	77%	0.766	76%	0.763	S	S	*	*			trans	-76.7	95.3	164.1	30	-21.8	0	0	0	104.6	A86 P90	A86-P88 WeakPolarHBondContact O-CD 3.47Å; A86-P88 VanDerWaalsContact O-N 3.14Å; P88-P90 VanDerWaalsContact O-CD 3.31Å; P88-P90 WeakPolarHBondContact O-CD 3.4Å; P88-P90 VanDerWaalsContact O-N 3.08Å
89	S	23.7	Very low	27.7	Very low	99 Å²	99	133.9 Å²	133.9	69%	0.692	74%	0.74	S	S	*	*			trans	-52.5	121.2	163	-67.8	0	0	0	0	106.3	S87 M91	S87-S89 VanDerWaalsContact C-N 3.29Å; S87-S89 PolarHBondContact O-N 3.32Å; S89-M91 PolarHBondContact O-N 3.22Å
90	P	22.6	Very low	29.2	Very low	114 Å²	114	131.9 Å²	131.9	74%	0.74	73%	0.731	S	S	*	*			trans	-64.1	108.3	170.5	26	-28	0	0	0	104.5	P88 V92	P88-P90 VanDerWaalsContact O-CD 3.31Å; P88-P90 WeakPolarHBondContact O-CD 3.4Å; P88-P90 VanDerWaalsContact O-N 3.08Å; P90-V92 PolarHBondContact O-N 3.46Å
91	M	25.3	Very low	31.2	Very low	160 Å²	160	124.7 Å²	124.7	79%	0.788	70%	0.698	S	S	*	*			trans	-62.9	92.9	162.6	-65.3	-158.4	94.8	0	0	104.7	S89 N93	S89-M91 PolarHBondContact O-N 3.22Å; M91-N93 PolarHBondContact O-N 3.4Å
92	V	24.9	Very low	33.4	Very low	116 Å²	116	123.1 Å²	123.1	70%	0.703	69%	0.692	S	S	*	*			trans	-45.4	117.2	158.4	175.1	0	0	0	0	104.1	P90 R94	P90-V92 PolarHBondContact O-N 3.46Å; V92-R94 HydrophobicContact CG1-CG 4.49Å; V92-R94 PolarHBondContact O-N 3.3Å
93	N	24.7	Very low	36	Very low	159 Å²	159	116.6 Å²	116.6	85%	0.85	67%	0.665	S	S	*	*			trans	-57.6	75.6	161.9	-89.8	-14.9	0	0	0	106.5	M91	M91-N93 PolarHBondContact O-N 3.4Å
94	R	21.4	Very low	38.9	Very low	209 Å²	209	108.8 Å²	108.8	79%	0.789	64%	0.644	S	S	*	*			trans	-57.8	131.8	150.6	-80.2	-173.3	176.4	-172.8	-0.8	103.5	V92 S96	V92-R94 HydrophobicContact CG1-CG 4.49Å; V92-R94 PolarHBondContact O-N 3.3Å; R94-S96 PolarHBondContact O-N 2.98Å
95	P	25.4	Very low	42.1	Very low	116 Å²	116	104 Å²	104	75%	0.753	61%	0.611	S	S	*	*			trans	-56.3	104.1	163.2	25.2	-28.4	0	0	0	103.8	T97	P95-T97 PolarHBondContact O-N 3.45Å
96	S	31	Very low	45.4	Very low	99 Å²	99	94.5 Å²	94.5	69%	0.692	58%	0.579	S	S	*	*			trans	-64.5	96	171.8	53.5	0	0	0	0	102.9	R94 V98	R94-S96 PolarHBondContact O-N 2.98Å; S96-V98 VanDerWaalsContact C-N 3.3Å; S96-V98 PolarHBondContact O-N 3.43Å
97	T	32	Very low	48.7	Very low	126 Å²	126	95 Å²	95	77%	0.773	58%	0.577	S	S	*	*			trans	-46	108	163.3	43.4	0	0	0	0	104.4	P95 F99	P95-T97 PolarHBondContact O-N 3.45Å; T97-F99 VanDerWaalsContact C-N 3.28Å; T97-F99 PolarHBondContact O-N 3.32Å
98	V	47.3	Very low	52.1	Low	135 Å²	135	94.2 Å²	94.2	82%	0.818	57%	0.571	S	S	*	*			trans	-59	101	-175.3	176.2	0	0	0	0	105.2	S96 S100	S96-V98 VanDerWaalsContact C-N 3.3Å; S96-V98 PolarHBondContact O-N 3.43Å; V98-S100 PolarHBondContact O-N 3.43Å
99	F	51.1	Low	55.5	Low	65 Å²	65	88.6 Å²	88.6	29%	0.285	54%	0.535	S	S	.	.			trans	-62.6	112.4	-179.2	171.5	-101	0	0	0	106.7	T97 P101 R232 W239 E241	T97-F99 VanDerWaalsContact C-N 3.28Å; T97-F99 PolarHBondContact O-N 3.32Å; F99-P101 HydrophobicContact CE1-CB 4.25Å; F99-P101 WeakPolarHBondContact O-CD 3.48Å; F99-R232 HydrophobicContact CE1-CG 4.04Å; F99-R232 HydrophobicContact CZ-CG 4.28Å; F99-R232 VanDerWaalsContact CZ-NE 3.26Å; F99-W239 HydrophobicContact CD1-CB 3.84Å; F99-W239 HydrophobicContact CE1-CB 4.33Å; F99-E241 HydrophobicContact CZ-CB 4.19Å; F99-E241 HydrophobicContact CZ-CG 4.44Å
100	S	61.1	Low	58.9	Low	85 Å²	85	86.8 Å²	86.8	59%	0.594	52%	0.515	S	S	*	.			trans	-87.1	116.6	178.4	-162.3	0	0	0	0	108.1	V98 V102	V98-S100 PolarHBondContact O-N 3.43Å; S100-V102 PolarHBondContact O-N 2.69Å
101	P	66.5	Low	62.4	Low	10 Å²	10	88.1 Å²	88.1	7%	0.065	51%	0.51	C	S	.	.			trans	-79.7	58.7	-172.8	35.4	-39.3	0	0	0	111.4	F99 R212 W239	F99-P101 HydrophobicContact CE1-CB 4.25Å; F99-P101 WeakPolarHBondContact O-CD 3.48Å; P101-R212 HydrophobicContact CB-CG 3.76Å; P101-R212 HydrophobicContact CG-CG 3.65Å; P101-W239 HydrophobicContact CB-CD2 4.11Å; P101-W239 HydrophobicContact CB-CE3 4.44Å; P101-W239 HydrophobicContact CB-CG 4.1Å; P101-W239 HydrophobicContact CG-CD2 3.99Å; P101-W239 HydrophobicContact CG-CG 3.9Å
102	V	70.6	Confident	65.9	Low	79 Å²	79	83.3 Å²	83.3	48%	0.479	49%	0.486	S	S	.	.			trans	-122.3	135.2	-178.1	-174.8	0	0	0	0	110.3	S100 P452	S100-V102 PolarHBondContact O-N 2.69Å; V102-P452 HydrophobicContact CG1-CB 4.36Å; V102-P452 HydrophobicContact CG2-CB 4.33Å
103	G	82.8	Confident	69.3	Low	30 Å²	30	78.3 Å²	78.3	31%	0.309	46%	0.455	S	S	.	.	S	Bend	trans	82.2	-150.2	174.6	0	0	0	0	0	114.3	P215 T216 R232	G103-P215 WeakPolarHBondContact O-CA 3.34Å; G103-T216 PolarHBondContact O-N 3.35Å; G103-R232 PolarHBondContact O-NH1 2.96Å
104	G	87.4	Confident	72.7	Confident	32 Å²	32	74.2 Å²	74.2	33%	0.33	43%	0.43	S	S	.	.	S	Bend	trans	-73.9	177.9	-178.7	0	0	0	0	0	113.8	T216 R232	G104-T216 VanDerWaalsContact CA-O 3.28Å; G104-T216 WeakPolarHBondContact CA-O 3.24Å; G104-R232 PolarHBondContact O-NH2 3.48Å
105	P	90.8	Very high	76.4	Confident	30 Å²	30	68.4 Å²	68.4	20%	0.195	42%	0.415	C	S	.	.			trans	-56.1	162	-179.7	-24.8	34.2	0	0	0	114	F109 P215 Q218 A230	P105-F109 HydrophobicContact CB-CB 3.87Å; P105-F109 HydrophobicContact CB-CD1 3.18Å; P105-F109 HydrophobicContact CB-CD2 4.37Å; P105-F109 HydrophobicContact CB-CE1 3.71Å; P105-F109 HydrophobicContact CB-CG 3.55Å; P105-F109 HydrophobicContact CB-CZ 4.48Å; P105-F109 HydrophobicContact CG-CD1 3.7Å; P105-F109 HydrophobicContact CG-CE1 3.66Å; P105-F109 HydrophobicContact CG-CG 4.37Å; P105-F109 HydrophobicContact CG-CZ 4.31Å; P105-P215 HydrophobicContact CB-CB 4.5Å; P105-P215 HydrophobicContact CG-CB 3.88Å; P105-Q218 HydrophobicContact CG-CG 4.07Å; P105-A230 HydrophobicContact CB-CB 4.24Å; P105-A230 HydrophobicContact CG-CB 4.42Å
106	S	93.4	Very high	79.8	Confident	22 Å²	22	64.1 Å²	64.1	15%	0.154	39%	0.386	C	S	.	.			trans	-64.2	164	178.6	65.6	0	0	0	0	114.1	S108 F109 E110 E241 Y243	S106-S108 PolarHBondContact O-N 2.9Å; S106-F109 WeakPolarHBondContact O-CB 3.32Å; S106-F109 PolarHBondContact O-N 3.39Å; S106-F109 PolarHBondContact OG-N 3.29Å; S106-E110 PolarHBondContact O-N 2.52Å; S106-E241 WeakPolarHBondContact CB-OE2 3.36Å; S106-E241 PolarHBondContact N-OE1 3.05Å; S106-E241 PolarHBondContact N-OE2 3.28Å; S106-E241 PolarHBondContact OG-OE2 3.45Å; S106-Y243 PolarHBondContact OG-OH 3.18Å
107	S	93	Very high	82.9	Confident	102 Å²	102	62 Å²	62	71%	0.713	37%	0.366	S	S	*	.	H	α-helix	trans	-60.1	-33.9	173.8	53.3	0	0	0	0	113.1	E110 K111	S107-E110 PolarHBondContact O-N 2.88Å; S107-K111 WeakPolarHBondContact O-CB 3.41Å; S107-K111 PolarHBondContact O-N 3.33Å
108	S	94.5	Very high	85.9	Confident	72 Å²	72	62.2 Å²	62.2	50%	0.503	36%	0.363	S	S	.	.	H	α-helix	trans	-64	-44.2	174.6	-61.4	0	0	0	0	111.7	S106 I112	S106-S108 PolarHBondContact O-N 2.9Å; S108-I112 WeakPolarHBondContact O-CG1 3.43Å; S108-I112 PolarHBondContact O-N 3.38Å
109	F	96	Very high	88.3	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-60.3	-49.3	173.7	172.5	-87.3	0	0	0	111	P105 S106 K111 I112 R113 W224 I228 A230 Y243	P105-F109 HydrophobicContact CB-CB 3.87Å; P105-F109 HydrophobicContact CB-CD1 3.18Å; P105-F109 HydrophobicContact CB-CD2 4.37Å; P105-F109 HydrophobicContact CB-CE1 3.71Å; P105-F109 HydrophobicContact CB-CG 3.55Å; P105-F109 HydrophobicContact CB-CZ 4.48Å; P105-F109 HydrophobicContact CG-CD1 3.7Å; P105-F109 HydrophobicContact CG-CE1 3.66Å; P105-F109 HydrophobicContact CG-CG 4.37Å; P105-F109 HydrophobicContact CG-CZ 4.31Å; S106-F109 WeakPolarHBondContact O-CB 3.32Å; S106-F109 PolarHBondContact O-N 3.39Å; S106-F109 PolarHBondContact OG-N 3.29Å; F109-K111 VanDerWaalsContact C-N 3.27Å; F109-K111 PolarHBondContact O-N 3.34Å; F109-I112 PolarHBondContact O-N 3.24Å; F109-I112 VanDerWaalsContact O-N 3.13Å; F109-R113 HydrophobicContact CE1-CB 4.31Å; F109-R113 PolarHBondContact O-N 3.36Å; F109-W224 HydrophobicContact CE1-CH2 4.2Å; F109-W224 AromaticContact CE1-CZ2 3.96Å; F109-W224 HydrophobicContact CE1-CZ2 3.96Å; F109-W224 AromaticContact CZ-CH2 3.96Å; F109-W224 HydrophobicContact CZ-CH2 3.96Å; F109-W224 HydrophobicContact CZ-CZ2 4.2Å; F109-I228 HydrophobicContact CD2-CD1 4.27Å; F109-I228 HydrophobicContact CD2-CG1 4.43Å; F109-I228 HydrophobicContact CE2-CB 4.44Å; F109-I228 HydrophobicContact CE2-CD1 4.09Å; F109-I228 HydrophobicContact CE2-CG1 3.8Å; F109-I228 HydrophobicContact CE2-CG2 4.12Å; F109-I228 HydrophobicContact CZ-CG2 4.02Å; F109-A230 HydrophobicContact CD2-CB 3.62Å; F109-A230 HydrophobicContact CE2-CB 3.65Å; F109-A230 HydrophobicContact CG-CB 4.25Å; F109-A230 HydrophobicContact CZ-CB 4.34Å; F109-Y243 HydrophobicContact CB-CD1 4.42Å; F109-Y243 HydrophobicContact CB-CE1 3.78Å; F109-Y243 AromaticContact CD2-CD1 3.72Å; F109-Y243 HydrophobicContact CD2-CD1 3.72Å; F109-Y243 AromaticContact CD2-CE1 3.94Å; F109-Y243 HydrophobicContact CD2-CE1 3.94Å; F109-Y243 HydrophobicContact CD2-CG 4.21Å; F109-Y243 HydrophobicContact CG-CE1 4.35Å; F109-Y243 PolarHBondContact N-OH 3.03Å
110	E	95.2	Very high	90.4	Very high	62 Å²	62	58.9 Å²	58.9	29%	0.29	36%	0.364	S	S	.	.	H	α-helix	trans	-63.1	-36.7	-175.4	-177.1	55.6	-159	0	0	111.7	S106 S107 R113 Q114	S106-E110 PolarHBondContact O-N 2.52Å; S107-E110 PolarHBondContact O-N 2.88Å; E110-R113 PolarHBondContact O-N 3.36Å; E110-R113 IonicContact OE1-CZ 3.26Å; E110-R113 IonicContact OE1-NE 3.07Å; E110-R113 IonicContact OE1-NH2 3.13Å; E110-R113 PolarHBondContact OE1-NH2 3.2Å; E110-R113 IonicContact OE2-CZ 2.62Å; E110-R113 IonicContact OE2-NE 2.92Å; E110-R113 PolarHBondContact OE2-NE 2.85Å; E110-R113 IonicContact OE2-NH2 2.74Å; E110-R113 PolarHBondContact OE2-NH2 2.83Å; E110-Q114 WeakPolarHBondContact O-CB 3.45Å; E110-Q114 VanDerWaalsContact O-CG 3.28Å; E110-Q114 WeakPolarHBondContact O-CG 3.46Å; E110-Q114 PolarHBondContact O-N 3.48Å; E110-Q114 WeakPolarHBondContact OE1-CG 3.32Å; E110-Q114 PolarHBondContact OE1-NE2 2.92Å
111	K	96.6	Very high	92	Very high	142 Å²	142	61.1 Å²	61.1	62%	0.617	37%	0.365	S	S	*	.	H	α-helix	trans	-59.3	-50.4	172.5	-175.7	178	178.5	-179.9	0	112	S107 F109 R113 Q114 D115	S107-K111 WeakPolarHBondContact O-CB 3.41Å; S107-K111 PolarHBondContact O-N 3.33Å; F109-K111 VanDerWaalsContact C-N 3.27Å; F109-K111 PolarHBondContact O-N 3.34Å; K111-R113 VanDerWaalsContact C-N 3.32Å; K111-R113 PolarHBondContact O-N 2.96Å; K111-Q114 PolarHBondContact O-N 3.22Å; K111-D115 VanDerWaalsContact O-CG 3.28Å; K111-D115 PolarHBondContact O-N 2.96Å
112	I	97	Very high	93.5	Very high	58 Å²	58	64 Å²	64	30%	0.297	38%	0.38	S	S	.	.	H	α-helix	trans	-60.3	-44.3	179.3	-64.4	166.2	0	0	0	110.4	S108 F109 Q114 D115 L116 F123 I228 Y243	S108-I112 WeakPolarHBondContact O-CG1 3.43Å; S108-I112 PolarHBondContact O-N 3.38Å; F109-I112 PolarHBondContact O-N 3.24Å; F109-I112 VanDerWaalsContact O-N 3.13Å; I112-Q114 PolarHBondContact O-N 3.1Å; I112-D115 PolarHBondContact O-N 2.94Å; I112-L116 HydrophobicContact CG2-CD1 3.99Å; I112-L116 WeakPolarHBondContact O-CD1 3.47Å; I112-L116 VanDerWaalsContact O-CG 3.29Å; I112-L116 WeakPolarHBondContact O-CG 3.41Å; I112-L116 PolarHBondContact O-N 2.76Å; I112-L116 VanDerWaalsContact O-N 3.11Å; I112-F123 HydrophobicContact CG2-CD2 4.42Å; I112-F123 HydrophobicContact CG2-CE2 4.37Å; I112-I228 HydrophobicContact CB-CD1 4.47Å; I112-I228 HydrophobicContact CG2-CD1 3.75Å; I112-Y243 HydrophobicContact CD1-CD2 4.11Å; I112-Y243 HydrophobicContact CD1-CE2 3.96Å
113	R	97.5	Very high	94.8	Very high	12 Å²	12	62 Å²	62	5%	0.045	36%	0.364	C	S	.	.	H	α-helix	trans	-60.2	-44.1	178.9	-168.1	-172.8	70.9	77	3.9	111.9	F109 E110 K111 L116 L117 W224 A226 I228	F109-R113 HydrophobicContact CE1-CB 4.31Å; F109-R113 PolarHBondContact O-N 3.36Å; E110-R113 PolarHBondContact O-N 3.36Å; E110-R113 IonicContact OE1-CZ 3.26Å; E110-R113 IonicContact OE1-NE 3.07Å; E110-R113 IonicContact OE1-NH2 3.13Å; E110-R113 PolarHBondContact OE1-NH2 3.2Å; E110-R113 IonicContact OE2-CZ 2.62Å; E110-R113 IonicContact OE2-NE 2.92Å; E110-R113 PolarHBondContact OE2-NE 2.85Å; E110-R113 IonicContact OE2-NH2 2.74Å; E110-R113 PolarHBondContact OE2-NH2 2.83Å; K111-R113 VanDerWaalsContact C-N 3.32Å; K111-R113 PolarHBondContact O-N 2.96Å; R113-L116 PolarHBondContact O-N 2.77Å; R113-L117 PolarHBondContact O-N 2.92Å; R113-W224 PolarHBondContact NH1-O 3.34Å; R113-A226 HydrophobicContact CG-CB 3.89Å; R113-I228 HydrophobicContact CB-CG2 4.07Å; R113-I228 HydrophobicContact CG-CG2 3.9Å
114	Q	96.8	Very high	95.5	Very high	72 Å²	72	64 Å²	64	34%	0.336	37%	0.373	S	S	.	.	H	α-helix	trans	-69.4	-40.1	179.3	-69.5	-68.6	4.2	0	0	112.7	E110 K111 I112 L116 L117 N118	E110-Q114 WeakPolarHBondContact O-CB 3.45Å; E110-Q114 VanDerWaalsContact O-CG 3.28Å; E110-Q114 WeakPolarHBondContact O-CG 3.46Å; E110-Q114 PolarHBondContact O-N 3.48Å; E110-Q114 WeakPolarHBondContact OE1-CG 3.32Å; E110-Q114 PolarHBondContact OE1-NE2 2.92Å; K111-Q114 PolarHBondContact O-N 3.22Å; I112-Q114 PolarHBondContact O-N 3.1Å; Q114-L116 PolarHBondContact O-N 3.48Å; Q114-L117 PolarHBondContact O-N 3.18Å; Q114-N118 WeakPolarHBondContact O-CB 3.45Å; Q114-N118 PolarHBondContact O-N 3.41Å; Q114-N118 PolarHBondContact O-ND2 3.04Å
115	D	97.5	Very high	96	Very high	88 Å²	88	62.7 Å²	62.7	47%	0.471	36%	0.358	S	S	.	.	H	α-helix	trans	-60.7	-36.5	175.6	-68.5	-19.7	0	0	0	111.4	K111 I112 S119	K111-D115 VanDerWaalsContact O-CG 3.28Å; K111-D115 PolarHBondContact O-N 2.96Å; I112-D115 PolarHBondContact O-N 2.94Å; D115-S119 WeakPolarHBondContact O-CB 3.49Å; D115-S119 PolarHBondContact O-N 3.04Å; D115-S119 VanDerWaalsContact O-N 3.08Å; D115-S119 PolarHBondContact O-OG 3.05Å
116	L	97.5	Very high	96.2	Very high	25 Å²	25	66.8 Å²	66.8	13%	0.131	39%	0.388	C	S	.	.	H	α-helix	trans	-68.9	-44.2	174.4	-71.9	164.4	0	0	0	112.8	I112 R113 Q114 N118 S119 G120 H121 F123 A226 I228	I112-L116 HydrophobicContact CG2-CD1 3.99Å; I112-L116 WeakPolarHBondContact O-CD1 3.47Å; I112-L116 VanDerWaalsContact O-CG 3.29Å; I112-L116 WeakPolarHBondContact O-CG 3.41Å; I112-L116 PolarHBondContact O-N 2.76Å; I112-L116 VanDerWaalsContact O-N 3.11Å; R113-L116 PolarHBondContact O-N 2.77Å; Q114-L116 PolarHBondContact O-N 3.48Å; L116-N118 VanDerWaalsContact C-N 3.3Å; L116-N118 PolarHBondContact O-N 2.82Å; L116-S119 WeakPolarHBondContact CA-OG 3.32Å; L116-S119 PolarHBondContact O-N 3.25Å; L116-S119 PolarHBondContact O-OG 3.41Å; L116-S119 VanDerWaalsContact O-OG 3.11Å; L116-G120 PolarHBondContact O-N 2.77Å; L116-H121 WeakPolarHBondContact CB-O 3.36Å; L116-H121 WeakPolarHBondContact CD2-O 3.32Å; L116-H121 PolarHBondContact O-N 2.86Å; L116-F123 HydrophobicContact CD1-CB 3.6Å; L116-F123 HydrophobicContact CD1-CD2 3.88Å; L116-F123 HydrophobicContact CD1-CG 4.11Å; L116-A226 HydrophobicContact CB-CB 3.85Å; L116-A226 HydrophobicContact CD1-CB 4.3Å; L116-I228 HydrophobicContact CD1-CG2 4.34Å
117	L	95.9	Very high	96.3	Very high	54 Å²	54	69.4 Å²	69.4	28%	0.283	41%	0.411	S	S	.	.	H	α-helix	trans	-58.7	-44.1	174.1	-75.5	-179.1	0	0	0	111.6	R113 Q114 S119 G120 Y225 A226	R113-L117 PolarHBondContact O-N 2.92Å; Q114-L117 PolarHBondContact O-N 3.18Å; L117-S119 VanDerWaalsContact C-N 3.33Å; L117-S119 PolarHBondContact O-N 3.08Å; L117-G120 PolarHBondContact O-N 2.97Å; L117-Y225 VanDerWaalsContact CD2-O 3.29Å; L117-Y225 WeakPolarHBondContact CD2-O 3.45Å; L117-A226 HydrophobicContact CD2-CB 4.13Å; L117-A226 HydrophobicContact CG-CB 4.16Å
118	N	96.3	Very high	96.5	Very high	131 Å²	131	64.8 Å²	64.8	70%	0.701	38%	0.378	S	S	*	.	H	α-helix	trans	-66.5	-33.6	-179.9	-69.2	-25.5	0	0	0	112.9	Q114 L116	Q114-N118 WeakPolarHBondContact O-CB 3.45Å; Q114-N118 PolarHBondContact O-N 3.41Å; Q114-N118 PolarHBondContact O-ND2 3.04Å; L116-N118 VanDerWaalsContact C-N 3.3Å; L116-N118 PolarHBondContact O-N 2.82Å
119	S	96.3	Very high	96.7	Very high	64 Å²	64	63.3 Å²	63.3	45%	0.448	37%	0.366	S	S	.	.	H	α-helix	trans	-85.4	-11.8	178.4	58.7	0	0	0	0	113.9	D115 L116 L117 H121	D115-S119 WeakPolarHBondContact O-CB 3.49Å; D115-S119 PolarHBondContact O-N 3.04Å; D115-S119 VanDerWaalsContact O-N 3.08Å; D115-S119 PolarHBondContact O-OG 3.05Å; L116-S119 WeakPolarHBondContact CA-OG 3.32Å; L116-S119 PolarHBondContact O-N 3.25Å; L116-S119 PolarHBondContact O-OG 3.41Å; L116-S119 VanDerWaalsContact O-OG 3.11Å; L117-S119 VanDerWaalsContact C-N 3.33Å; L117-S119 PolarHBondContact O-N 3.08Å; S119-H121 PolarHBondContact O-N 2.87Å
120	G	94.7	Very high	96.7	Very high	67 Å²	67	64.7 Å²	64.7	69%	0.691	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	15	-176.4	0	0	0	0	0	114	L116 L117	L116-G120 PolarHBondContact O-N 2.77Å; L117-G120 PolarHBondContact O-N 2.97Å
121	H	95.9	Very high	96.6	Very high	131 Å²	131	65.1 Å²	65.1	61%	0.606	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-103	143.7	178.8	-68.2	-57.2	0	0	0	111.4	L116 S119	L116-H121 WeakPolarHBondContact CB-O 3.36Å; L116-H121 WeakPolarHBondContact CD2-O 3.32Å; L116-H121 PolarHBondContact O-N 2.86Å; S119-H121 PolarHBondContact O-N 2.87Å
122	L	97.4	Very high	96.4	Very high	71 Å²	71	62.6 Å²	62.6	37%	0.372	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-85.2	143.2	171.5	-61.5	179.1	0	0	0	110.6	C124 Y225	L122-C124 PolarHBondContact O-N 3.36Å; L122-Y225 HydrophobicContact CD1-CE1 4.18Å; L122-Y225 HydrophobicContact CD2-CD1 4.02Å; L122-Y225 HydrophobicContact CD2-CE1 3.49Å; L122-Y225 VanDerWaalsContact CD2-CE1 3.49Å
123	F	97.9	Very high	96.2	Very high	36 Å²	36	63.3 Å²	63.3	16%	0.158	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-57	138.1	177	-170.7	-120.9	0	0	0	111.6	I112 L116 D125 R149 A226 I228 D245	I112-F123 HydrophobicContact CG2-CD2 4.42Å; I112-F123 HydrophobicContact CG2-CE2 4.37Å; L116-F123 HydrophobicContact CD1-CB 3.6Å; L116-F123 HydrophobicContact CD1-CD2 3.88Å; L116-F123 HydrophobicContact CD1-CG 4.11Å; F123-D125 HydrophobicContact CE1-CB 3.85Å; F123-D125 HydrophobicContact CZ-CB 4.38Å; F123-R149 PolarHBondContact O-NH1 3.24Å; F123-R149 PolarHBondContact O-NH2 2.97Å; F123-A226 PolarHBondContact N-O 2.84Å; F123-I228 HydrophobicContact CB-CB 3.68Å; F123-I228 HydrophobicContact CB-CG1 4.27Å; F123-I228 HydrophobicContact CD1-CB 3.85Å; F123-I228 HydrophobicContact CD1-CD1 3.82Å; F123-I228 HydrophobicContact CD1-CG1 3.52Å; F123-I228 HydrophobicContact CD2-CD1 3.99Å; F123-I228 HydrophobicContact CD2-CG1 4.5Å; F123-I228 HydrophobicContact CE1-CD1 3.96Å; F123-I228 HydrophobicContact CE1-CG1 3.93Å; F123-I228 HydrophobicContact CE2-CD1 4.1Å; F123-I228 HydrophobicContact CG-CB 3.86Å; F123-I228 HydrophobicContact CG-CD1 3.85Å; F123-I228 HydrophobicContact CG-CG1 3.86Å; F123-I228 HydrophobicContact CZ-CD1 4.1Å; F123-D245 HydrophobicContact CB-CB 4.48Å; F123-D245 HydrophobicContact CD1-CB 3.71Å; F123-D245 HydrophobicContact CE1-CB 4.45Å; F123-D245 HydrophobicContact CG-CB 4.49Å; F123-D245 WeakPolarHBondContact O-CB 3.39Å
124	C	97.5	Very high	96	Very high	72 Å²	72	62.8 Å²	62.8	49%	0.486	38%	0.384	S	S	.	.			trans	-130.1	110.4	174.1	-71.4	0	0	0	0	107.4	L122 S126	L122-C124 PolarHBondContact O-N 3.36Å; C124-S126 PolarHBondContact O-N 2.84Å; C124-S126 VanDerWaalsContact O-N 3.12Å
125	D	97.6	Very high	95.9	Very high	5 Å²	5	59.4 Å²	59.4	3%	0.027	37%	0.368	C	S	.	.			trans	-74.7	100.6	-174.7	-167.8	-8.7	0	0	0	111.4	F123 A127 F128 D245 K278	F123-D125 HydrophobicContact CE1-CB 3.85Å; F123-D125 HydrophobicContact CZ-CB 4.38Å; D125-A127 PolarHBondContact O-N 2.94Å; D125-A127 PolarHBondContact OD1-N 3.42Å; D125-A127 VanDerWaalsContact OD1-N 3.12Å; D125-F128 CarbonylContact O-C 3.5Å; D125-F128 VanDerWaalsContact O-C 3.27Å; D125-F128 PolarHBondContact O-N 2.76Å; D125-F128 PolarHBondContact OD1-N 3.43Å; D125-D245 HydrophobicContact CB-CB 4.38Å; D125-D245 VanDerWaalsContact CB-OD2 3.23Å; D125-D245 WeakPolarHBondContact CB-OD2 3.25Å; D125-D245 PolarHBondContact N-OD2 2.91Å; D125-K278 IonicContact OD1-NZ 2.97Å; D125-K278 PolarHBondContact OD1-NZ 2.81Å; D125-K278 WeakPolarHBondContact OD2-CD 3.3Å; D125-K278 WeakPolarHBondContact OD2-CE 3.2Å; D125-K278 IonicContact OD2-NZ 2.82Å; D125-K278 PolarHBondContact OD2-NZ 3.04Å
126	S	96.3	Very high	95.4	Very high	117 Å²	117	56.6 Å²	56.6	82%	0.818	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-20.6	177.9	57.8	0	0	0	0	113.3	C124	C124-S126 PolarHBondContact O-N 2.84Å; C124-S126 VanDerWaalsContact O-N 3.12Å
127	A	95.9	Very high	94.9	Very high	76 Å²	76	59.7 Å²	59.7	63%	0.628	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-12.1	177.9	0	0	0	0	0	112.9	D125	D125-A127 PolarHBondContact O-N 2.94Å; D125-A127 PolarHBondContact OD1-N 3.42Å; D125-A127 VanDerWaalsContact OD1-N 3.12Å
128	F	97.2	Very high	94.4	Very high	6 Å²	6	60.9 Å²	60.9	3%	0.026	37%	0.374	C	S	.	.	S	Bend	trans	-147.2	72.9	176.7	-159.6	-108.4	0	0	0	109.5	D125 S134 K274 A277 K278 Y283	D125-F128 CarbonylContact O-C 3.5Å; D125-F128 VanDerWaalsContact O-C 3.27Å; D125-F128 PolarHBondContact O-N 2.76Å; D125-F128 PolarHBondContact OD1-N 3.43Å; F128-S134 WeakPolarHBondContact CZ-O 3.38Å; F128-K274 HydrophobicContact CD1-CG 4.39Å; F128-K274 HydrophobicContact CE1-CG 4.1Å; F128-A277 HydrophobicContact CZ-CB 4.06Å; F128-K278 HydrophobicContact CB-CB 4.19Å; F128-K278 HydrophobicContact CB-CD 3.74Å; F128-K278 HydrophobicContact CB-CG 3.84Å; F128-K278 HydrophobicContact CD1-CB 4.08Å; F128-K278 HydrophobicContact CD2-CB 3.79Å; F128-K278 HydrophobicContact CD2-CG 4Å; F128-K278 HydrophobicContact CE1-CB 4.38Å; F128-K278 HydrophobicContact CE2-CB 4.13Å; F128-K278 HydrophobicContact CG-CB 3.75Å; F128-K278 HydrophobicContact CG-CD 4.25Å; F128-K278 HydrophobicContact CG-CG 3.93Å; F128-K278 HydrophobicContact CZ-CB 4.39Å; F128-Y283 HydrophobicContact CE1-CD2 4.37Å; F128-Y283 HydrophobicContact CE1-CE2 4.03Å; F128-Y283 HydrophobicContact CZ-CD2 4.14Å; F128-Y283 HydrophobicContact CZ-CE2 4.24Å
129	P	97	Very high	93.9	Very high	40 Å²	40	60.1 Å²	60.1	26%	0.26	37%	0.366	S	S	.	.			trans	-65.2	153.9	-170.6	28.6	-36	0	0	0	112	D131 S134	P129-D131 WeakPolarHBondContact CG-OD2 3.45Å; P129-D131 PolarHBondContact O-N 3Å; P129-S134 VanDerWaalsContact O-CB 3.27Å; P129-S134 WeakPolarHBondContact O-CB 3.36Å; P129-S134 PolarHBondContact O-OG 2.89Å
130	A	96.3	Very high	93.2	Very high	29 Å²	29	67.5 Å²	67.5	24%	0.24	39%	0.385	C	S	.	.	S	Bend	trans	-79.5	61.2	177.5	0	0	0	0	0	111.3	W147 R247	A130-W147 VanDerWaalsContact C-CE2 3.49Å; A130-W147 VanDerWaalsContact C-NE1 3.32Å; A130-W147 HydrophobicContact CB-CB 3.83Å; A130-W147 HydrophobicContact CB-CD2 3.63Å; A130-W147 HydrophobicContact CB-CE3 3.84Å; A130-W147 HydrophobicContact CB-CG 3.64Å; A130-W147 VanDerWaalsContact O-CD1 3.23Å; A130-W147 PolarHBondContact O-NE1 3.12Å; A130-R247 HydrophobicContact CB-CB 4.24Å
131	D	93.8	Very high	92.6	Very high	72 Å²	72	65.5 Å²	65.5	39%	0.385	36%	0.36	S	S	.	.	S	Bend	trans	-143.6	-178.5	178.9	66.7	36.5	0	0	0	111.7	P129 S133 S134	P129-D131 WeakPolarHBondContact CG-OD2 3.45Å; P129-D131 PolarHBondContact O-N 3Å; D131-S133 PolarHBondContact O-N 3.24Å; D131-S133 VanDerWaalsContact OD1-CB 3.23Å; D131-S133 WeakPolarHBondContact OD1-CB 3.48Å; D131-S133 PolarHBondContact OD1-N 3.29Å; D131-S133 PolarHBondContact OD1-OG 2.86Å; D131-S134 PolarHBondContact O-N 3.44Å
132	D	91.8	Very high	91.7	Very high	88 Å²	88	63.4 Å²	63.4	47%	0.471	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-62.1	-24.2	-175.9	-70.7	-3.3	0	0	0	113.8	S134 L135 Y136	D132-S134 PolarHBondContact O-N 3.19Å; D132-L135 PolarHBondContact O-N 3.49Å; D132-Y136 PolarHBondContact O-N 2.82Å
133	S	92.2	Very high	91	Very high	73 Å²	73	62.4 Å²	62.4	51%	0.51	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-67	-26.9	-178.8	74	0	0	0	0	112.9	D131 L135	D131-S133 PolarHBondContact O-N 3.24Å; D131-S133 VanDerWaalsContact OD1-CB 3.23Å; D131-S133 WeakPolarHBondContact OD1-CB 3.48Å; D131-S133 PolarHBondContact OD1-N 3.29Å; D131-S133 PolarHBondContact OD1-OG 2.86Å; S133-L135 VanDerWaalsContact C-N 3.34Å
134	S	95.1	Very high	90.5	Very high	2 Å²	2	67.8 Å²	67.8	1%	0.014	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-80.2	-16.9	174	-68.2	0	0	0	0	112.8	F128 P129 D131 D132 S282 Y283	F128-S134 WeakPolarHBondContact CZ-O 3.38Å; P129-S134 VanDerWaalsContact O-CB 3.27Å; P129-S134 WeakPolarHBondContact O-CB 3.36Å; P129-S134 PolarHBondContact O-OG 2.89Å; D131-S134 PolarHBondContact O-N 3.44Å; D132-S134 PolarHBondContact O-N 3.19Å; S134-S282 CarbonylContact O-C 3.29Å; S134-S282 VanDerWaalsContact O-CA 3.27Å; S134-S282 WeakPolarHBondContact O-CA 3.47Å; S134-S282 WeakPolarHBondContact O-CB 3.23Å; S134-Y283 WeakPolarHBondContact O-CD2 3.31Å; S134-Y283 PolarHBondContact O-N 3.49Å
135	L	93	Very high	90.3	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-63.4	-176	-61.5	172.3	0	0	0	111.5	D132 S133 P141 I145 W147 P249 F258 Y283 E284	D132-L135 PolarHBondContact O-N 3.49Å; S133-L135 VanDerWaalsContact C-N 3.34Å; L135-P141 HydrophobicContact CD1-CG 4.37Å; L135-I145 HydrophobicContact CD1-CB 4.31Å; L135-I145 HydrophobicContact CD1-CD1 3.56Å; L135-I145 HydrophobicContact CD1-CG2 3.99Å; L135-W147 HydrophobicContact CD1-CZ2 4.22Å; L135-W147 HydrophobicContact CD2-CH2 4.22Å; L135-W147 HydrophobicContact CD2-CZ2 3.76Å; L135-W147 HydrophobicContact CG-CZ2 3.81Å; L135-P249 HydrophobicContact CD2-CB 3.79Å; L135-P249 HydrophobicContact CD2-CG 4Å; L135-F258 HydrophobicContact CD2-CE2 3.76Å; L135-F258 HydrophobicContact CD2-CZ 4.11Å; L135-Y283 HydrophobicContact CD2-CD2 3.8Å; L135-Y283 HydrophobicContact CD2-CE2 4.25Å; L135-Y283 HydrophobicContact CD2-CG 4.46Å; L135-E284 VanDerWaalsContact O-CB 3.29Å; L135-E284 WeakPolarHBondContact O-CB 3.31Å; L135-E284 PolarHBondContact O-N 3.17Å
136	Y	88.7	Confident	90.1	Very high	29 Å²	29	67.6 Å²	67.6	11%	0.114	38%	0.377	C	S	.	.			trans	-135.3	136.9	-171.6	-62	-84.3	0	0	0	110.5	D132 Q139 P141 E284	D132-Y136 PolarHBondContact O-N 2.82Å; Y136-Q139 WeakPolarHBondContact CB-O 3.4Å; Y136-Q139 HydrophobicContact CD1-CG 3.93Å; Y136-Q139 HydrophobicContact CG-CG 4.25Å; Y136-P141 HydrophobicContact CD2-CB 4.38Å; Y136-P141 HydrophobicContact CD2-CG 4.09Å; Y136-P141 HydrophobicContact CE2-CB 4.31Å; Y136-P141 HydrophobicContact CE2-CG 4.46Å; Y136-E284 VanDerWaalsContact CA-OE2 3.25Å; Y136-E284 WeakPolarHBondContact CA-OE2 3.35Å; Y136-E284 WeakPolarHBondContact CB-OE2 3.36Å; Y136-E284 HydrophobicContact CD1-CB 3.83Å; Y136-E284 HydrophobicContact CD1-CG 4.05Å; Y136-E284 HydrophobicContact CE1-CB 4.47Å; Y136-E284 HydrophobicContact CG-CB 4.47Å
137	Y	86.6	Confident	90.1	Very high	91 Å²	91	64 Å²	64	36%	0.357	35%	0.345	S	S	.	.	S	Bend	trans	-106.3	-20.3	172.9	58.5	-103.5	0	0	0	112.6	S282 E284 A285 R529 H530	Y137-S282 WeakPolarHBondContact CD1-OG 3.46Å; Y137-E284 HydrophobicContact CD1-CB 4.13Å; Y137-E284 HydrophobicContact CD1-CG 4.32Å; Y137-E284 HydrophobicContact CE1-CB 3.88Å; Y137-E284 HydrophobicContact CE1-CG 3.81Å; Y137-E284 PolarHBondContact N-OE2 3.45Å; Y137-A285 HydrophobicContact CE1-CB 4.34Å; Y137-R529 HydrophobicContact CE1-CB 4.27Å; Y137-H530 HydrophobicContact CD1-CB 4.14Å; Y137-H530 HydrophobicContact CD2-CB 3.82Å; Y137-H530 HydrophobicContact CE2-CB 4.47Å; Y137-H530 HydrophobicContact CG-CB 3.65Å
138	S	86	Confident	90.1	Very high	79 Å²	79	62 Å²	62	55%	0.552	32%	0.324	S	S	*	.	S	Bend	trans	-101.4	-22.8	-176.5	82.1	0	0	0	0	114	E284	S138-E284 VanDerWaalsContact CB-OE1 3.23Å; S138-E284 WeakPolarHBondContact CB-OE1 3.22Å; S138-E284 PolarHBondContact N-OE2 2.85Å; S138-E284 PolarHBondContact OG-OE1 2.7Å; S138-E284 PolarHBondContact OG-OE2 3.15Å
139	Q	84.9	Confident	90.1	Very high	114 Å²	114	62.8 Å²	62.8	53%	0.533	33%	0.326	S	S	.	.	S	Bend	trans	-147.6	166	-173.4	63.9	-179.6	22.7	0	0	111.8	Y136	Y136-Q139 WeakPolarHBondContact CB-O 3.4Å; Y136-Q139 HydrophobicContact CD1-CG 3.93Å; Y136-Q139 HydrophobicContact CG-CG 4.25Å
140	R	82.2	Confident	90	Very high	220 Å²	220	60.9 Å²	60.9	83%	0.83	31%	0.314	S	S	*	.			trans	-79.2	153.6	168.9	-71.1	-172.4	-179.7	-173	-0.1	110.7
141	P	81.2	Confident	89.9	Confident	25 Å²	25	62.3 Å²	62.3	16%	0.162	32%	0.322	C	S	.	.			trans	-54.2	145.2	173.9	-27.4	35.2	0	0	0	113.5	L135 Y136 C143 I145	L135-P141 HydrophobicContact CD1-CG 4.37Å; Y136-P141 HydrophobicContact CD2-CB 4.38Å; Y136-P141 HydrophobicContact CD2-CG 4.09Å; Y136-P141 HydrophobicContact CE2-CB 4.31Å; Y136-P141 HydrophobicContact CE2-CG 4.46Å; P141-C143 WeakPolarHBondContact CB-O 3.33Å; P141-C143 PolarHBondContact O-N 3.19Å; P141-I145 HydrophobicContact CB-CD1 3.57Å; P141-I145 HydrophobicContact CB-CG1 4.19Å; P141-I145 HydrophobicContact CG-CD1 4.07Å
142	P	77.7	Confident	89.9	Confident	87 Å²	87	63.3 Å²	63.3	57%	0.565	33%	0.325	S	S	*	.	S	Bend	trans	-72.4	-16.1	-178.1	29.6	-35.4	0	0	0	113.5
143	C	83	Confident	90	Very high	49 Å²	49	59.1 Å²	59.1	33%	0.331	30%	0.302	S	S	.	.	S	Bend	trans	-145.9	171.1	178.3	64.9	0	0	0	0	110.5	P141 I145	P141-C143 WeakPolarHBondContact CB-O 3.33Å; P141-C143 PolarHBondContact O-N 3.19Å; C143-I145 PolarHBondContact O-N 2.93Å; C143-I145 VanDerWaalsContact O-N 3.15Å
144	Q	87.6	Confident	89.9	Confident	150 Å²	150	56 Å²	56	70%	0.701	28%	0.28	S	S	*	.			trans	-69.5	110.4	173	-173.7	176.7	3.6	0	0	109.7
145	I	91.8	Very high	89.6	Confident	25 Å²	25	58.9 Å²	58.9	13%	0.128	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	136.2	178.2	-63.8	172.3	0	0	0	109.2	L135 P141 C143 P249 L257	L135-I145 HydrophobicContact CD1-CB 4.31Å; L135-I145 HydrophobicContact CD1-CD1 3.56Å; L135-I145 HydrophobicContact CD1-CG2 3.99Å; P141-I145 HydrophobicContact CB-CD1 3.57Å; P141-I145 HydrophobicContact CB-CG1 4.19Å; P141-I145 HydrophobicContact CG-CD1 4.07Å; C143-I145 PolarHBondContact O-N 2.93Å; C143-I145 VanDerWaalsContact O-N 3.15Å; I145-P249 HydrophobicContact CG2-CB 3.69Å; I145-L257 HydrophobicContact CD1-CD2 3.38Å; I145-L257 HydrophobicContact CG1-CD2 3.95Å
146	V	94.4	Very high	89.3	Confident	48 Å²	48	61 Å²	61	29%	0.291	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	140.4	172.3	-175.4	0	0	0	0	107.6	M148 V250	V146-M148 HydrophobicContact CB-CE 4.42Å; V146-M148 HydrophobicContact CG1-CE 3.9Å; V146-M148 HydrophobicContact CG1-CG 4.06Å; V146-V250 HydrophobicContact CB-CG2 4.32Å; V146-V250 PolarHBondContact N-O 3Å; V146-V250 WeakPolarHBondContact O-CG2 3.33Å; V146-V250 PolarHBondContact O-N 2.94Å
147	W	95.7	Very high	89	Confident	40 Å²	40	63.4 Å²	63.4	15%	0.152	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	115.7	174.8	-71.6	83.9	0	0	0	109.4	A130 L135 R247 L248 P249 Y283	A130-W147 VanDerWaalsContact C-CE2 3.49Å; A130-W147 VanDerWaalsContact C-NE1 3.32Å; A130-W147 HydrophobicContact CB-CB 3.83Å; A130-W147 HydrophobicContact CB-CD2 3.63Å; A130-W147 HydrophobicContact CB-CE3 3.84Å; A130-W147 HydrophobicContact CB-CG 3.64Å; A130-W147 VanDerWaalsContact O-CD1 3.23Å; A130-W147 PolarHBondContact O-NE1 3.12Å; L135-W147 HydrophobicContact CD1-CZ2 4.22Å; L135-W147 HydrophobicContact CD2-CH2 4.22Å; L135-W147 HydrophobicContact CD2-CZ2 3.76Å; L135-W147 HydrophobicContact CG-CZ2 3.81Å; W147-R247 HydrophobicContact CB-CB 4.42Å; W147-R247 HydrophobicContact CE3-CB 4.13Å; W147-R247 VanDerWaalsContact CE3-O 3.25Å; W147-R247 WeakPolarHBondContact CZ3-O 3.34Å; W147-L248 WeakPolarHBondContact CA-O 3.49Å; W147-P249 HydrophobicContact CD2-CB 4.48Å; W147-P249 HydrophobicContact CH2-CG 4.46Å; W147-P249 HydrophobicContact CZ2-CB 4.46Å; W147-P249 HydrophobicContact CZ3-CG 4.43Å; W147-Y283 HydrophobicContact CH2-CE2 4.19Å
148	M	96	Very high	88.5	Confident	36 Å²	36	61.4 Å²	61.4	18%	0.177	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	145.9	-177.4	-70.5	-172.9	179.5	0	0	111.7	V146 E152 I153 R247 L248 V250	V146-M148 HydrophobicContact CB-CE 4.42Å; V146-M148 HydrophobicContact CG1-CE 3.9Å; V146-M148 HydrophobicContact CG1-CG 4.06Å; M148-E152 WeakPolarHBondContact CA-OE2 3.33Å; M148-E152 HydrophobicContact CB-CB 4.13Å; M148-E152 WeakPolarHBondContact CB-OE2 3.42Å; M148-E152 HydrophobicContact CG-CB 4.44Å; M148-E152 HydrophobicContact SD-CB 4.47Å; M148-I153 HydrophobicContact CB-CD1 4.23Å; M148-I153 HydrophobicContact CB-CG1 3.71Å; M148-R247 CarbonylContact O-C 3.56Å; M148-L248 PolarHBondContact N-O 3.28Å; M148-L248 PolarHBondContact O-N 3.34Å; M148-V250 HydrophobicContact CB-CG2 3.93Å; M148-V250 HydrophobicContact CE-CG2 4.37Å; M148-V250 HydrophobicContact CG-CG2 3.66Å; M148-V250 HydrophobicContact SD-CG2 3.68Å
149	R	96.8	Very high	87.3	Confident	21 Å²	21	60.2 Å²	60.2	8%	0.079	34%	0.336	C	S	.	.			trans	-77.7	159.7	169.2	-63	-167.2	-175.1	-101.3	2.1	110.8	F123 S151 E152 I153 Y225 D246 R247	F123-R149 PolarHBondContact O-NH1 3.24Å; F123-R149 PolarHBondContact O-NH2 2.97Å; R149-S151 PolarHBondContact O-N 2.99Å; R149-E152 PolarHBondContact N-OE2 3.45Å; R149-E152 WeakPolarHBondContact O-CB 3.24Å; R149-E152 PolarHBondContact O-N 3.48Å; R149-I153 WeakPolarHBondContact O-CG1 3.49Å; R149-I153 PolarHBondContact O-N 3.2Å; R149-Y225 WeakPolarHBondContact CD-OH 3.49Å; R149-D246 VanDerWaalsContact CD-OD1 3.29Å; R149-D246 WeakPolarHBondContact CD-OD1 3.27Å; R149-D246 WeakPolarHBondContact CG-OD1 3.31Å; R149-D246 IonicContact CZ-OD1 3.23Å; R149-D246 IonicContact NE-OD1 2.62Å; R149-D246 IonicContact NH1-OD1 3.03Å; R149-D246 PolarHBondContact NH1-OD1 3.2Å; R149-R247 HydrophobicContact CG-CG 3.94Å
150	P	95.7	Very high	85.7	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-59.1	-33.6	-176.4	-31	43.6	0	0	0	113.7	I153 V154 P173 F220 D246 L248 F267	P150-I153 PolarHBondContact O-N 3.21Å; P150-V154 VanDerWaalsContact O-CG2 3.32Å; P150-V154 WeakPolarHBondContact O-CG2 3.11Å; P150-V154 PolarHBondContact O-N 3.07Å; P150-P173 HydrophobicContact CB-CB 3.72Å; P150-P173 HydrophobicContact CB-CG 4.34Å; P150-F220 HydrophobicContact CB-CE1 3.84Å; P150-F220 HydrophobicContact CB-CZ 3.84Å; P150-F220 HydrophobicContact CG-CE1 3.6Å; P150-F220 HydrophobicContact CG-CZ 3.58Å; P150-D246 VanDerWaalsContact CD-CG 3.47Å; P150-D246 WeakPolarHBondContact CD-O 3.21Å; P150-D246 VanDerWaalsContact CD-OD2 3.24Å; P150-D246 WeakPolarHBondContact CD-OD2 3.38Å; P150-D246 HydrophobicContact CG-CB 4.07Å; P150-L248 HydrophobicContact CG-CD1 4.37Å; P150-F267 HydrophobicContact CB-CD1 3.87Å; P150-F267 HydrophobicContact CB-CD2 3.71Å; P150-F267 HydrophobicContact CB-CE1 3.86Å; P150-F267 HydrophobicContact CB-CE2 3.72Å; P150-F267 HydrophobicContact CB-CG 3.79Å; P150-F267 HydrophobicContact CB-CZ 3.79Å; P150-F267 HydrophobicContact CG-CB 4.5Å; P150-F267 HydrophobicContact CG-CD1 4.03Å; P150-F267 HydrophobicContact CG-CD2 4.46Å; P150-F267 HydrophobicContact CG-CE1 4.37Å; P150-F267 HydrophobicContact CG-CG 4.07Å
151	S	93.3	Very high	83.7	Confident	59 Å²	59	50.4 Å²	50.4	41%	0.413	33%	0.334	S	S	.	.	H	α-helix	trans	-61.1	-42.2	173.5	48.8	0	0	0	0	112.7	R149 A155	R149-S151 PolarHBondContact O-N 2.99Å; S151-A155 WeakPolarHBondContact O-CB 3.34Å; S151-A155 PolarHBondContact O-N 2.86Å; S151-A155 VanDerWaalsContact O-N 3.11Å
152	E	93.9	Very high	81.6	Confident	93 Å²	93	54.8 Å²	54.8	44%	0.435	37%	0.365	S	S	.	.	H	α-helix	trans	-68.5	-39.9	177.9	-61.8	160.4	-175.6	0	0	110.8	M148 R149 A155 A156	M148-E152 WeakPolarHBondContact CA-OE2 3.33Å; M148-E152 HydrophobicContact CB-CB 4.13Å; M148-E152 WeakPolarHBondContact CB-OE2 3.42Å; M148-E152 HydrophobicContact CG-CB 4.44Å; M148-E152 HydrophobicContact SD-CB 4.47Å; R149-E152 PolarHBondContact N-OE2 3.45Å; R149-E152 WeakPolarHBondContact O-CB 3.24Å; R149-E152 PolarHBondContact O-N 3.48Å; E152-A155 PolarHBondContact O-N 3.25Å; E152-A156 WeakPolarHBondContact O-CB 3.34Å; E152-A156 PolarHBondContact O-N 3.38Å
153	I	93.3	Very high	79.7	Confident	1 Å²	1	60 Å²	60	1%	0.005	39%	0.385	C	S	.	.	H	α-helix	trans	-63.6	-48.3	177.5	-65.5	170.4	0	0	0	111.2	M148 R149 P150 A155 A156 N157 L248 V250 G254 F267	M148-I153 HydrophobicContact CB-CD1 4.23Å; M148-I153 HydrophobicContact CB-CG1 3.71Å; R149-I153 WeakPolarHBondContact O-CG1 3.49Å; R149-I153 PolarHBondContact O-N 3.2Å; P150-I153 PolarHBondContact O-N 3.21Å; I153-A155 VanDerWaalsContact C-N 3.29Å; I153-A155 PolarHBondContact O-N 2.82Å; I153-A156 PolarHBondContact O-N 3.18Å; I153-N157 PolarHBondContact O-N 2.62Å; I153-N157 PolarHBondContact O-ND2 3.43Å; I153-L248 HydrophobicContact CD1-CB 4.09Å; I153-L248 HydrophobicContact CD1-CD1 4.06Å; I153-V250 HydrophobicContact CD1-CG1 3.62Å; I153-V250 HydrophobicContact CG1-CG1 3.95Å; I153-G254 WeakPolarHBondContact CG2-O 3.49Å; I153-F267 HydrophobicContact CB-CE1 4.23Å; I153-F267 HydrophobicContact CB-CZ 4.21Å; I153-F267 HydrophobicContact CD1-CE1 4.02Å; I153-F267 HydrophobicContact CG2-CE1 4Å; I153-F267 HydrophobicContact CG2-CZ 4.01Å
154	V	92.1	Very high	77.9	Confident	6 Å²	6	60.2 Å²	60.2	4%	0.036	40%	0.395	C	S	.	.	H	α-helix	trans	-63.1	-38.7	178.3	175.1	0	0	0	0	110.9	P150 S158 S171 P173 T265 F267	P150-V154 VanDerWaalsContact O-CG2 3.32Å; P150-V154 WeakPolarHBondContact O-CG2 3.11Å; P150-V154 PolarHBondContact O-N 3.07Å; V154-S158 WeakPolarHBondContact O-CB 3.48Å; V154-S158 PolarHBondContact O-N 3.24Å; V154-S158 VanDerWaalsContact O-N 3.16Å; V154-S158 PolarHBondContact O-OG 3.09Å; V154-S171 WeakPolarHBondContact CG1-O 3.39Å; V154-P173 HydrophobicContact CG2-CB 4.26Å; V154-T265 HydrophobicContact CG1-CG2 4.37Å; V154-T265 HydrophobicContact CG2-CG2 4.41Å; V154-F267 HydrophobicContact CG2-CE2 3.67Å; V154-F267 HydrophobicContact CG2-CZ 3.76Å
155	A	88.6	Confident	76.2	Confident	64 Å²	64	61.7 Å²	61.7	53%	0.529	41%	0.406	S	S	.	.	H	α-helix	trans	-64.4	-46.3	175.9	0	0	0	0	0	112.1	S151 E152 I153 N157 S158 G159	S151-A155 WeakPolarHBondContact O-CB 3.34Å; S151-A155 PolarHBondContact O-N 2.86Å; S151-A155 VanDerWaalsContact O-N 3.11Å; E152-A155 PolarHBondContact O-N 3.25Å; I153-A155 VanDerWaalsContact C-N 3.29Å; I153-A155 PolarHBondContact O-N 2.82Å; A155-N157 PolarHBondContact O-N 2.62Å; A155-S158 PolarHBondContact O-N 3.15Å; A155-S158 VanDerWaalsContact O-N 3.16Å; A155-G159 PolarHBondContact O-N 3.26Å
156	A	86.5	Confident	74.1	Confident	44 Å²	44	66 Å²	66	36%	0.364	43%	0.433	S	S	.	.	H	α-helix	trans	-59.6	-44.9	177.7	0	0	0	0	0	112	E152 I153 S158 G159	E152-A156 WeakPolarHBondContact O-CB 3.34Å; E152-A156 PolarHBondContact O-N 3.38Å; I153-A156 PolarHBondContact O-N 3.18Å; A156-S158 PolarHBondContact O-N 3.05Å; A156-G159 PolarHBondContact O-N 3.33Å
157	N	81.5	Confident	71.8	Confident	79 Å²	79	69.8 Å²	69.8	42%	0.422	46%	0.459	S	S	.	.	H	α-helix	trans	-67.9	-22.6	178.9	-70.8	-29.7	0	0	0	113.3	I153 A155 G159	I153-N157 PolarHBondContact O-N 2.62Å; I153-N157 PolarHBondContact O-ND2 3.43Å; A155-N157 PolarHBondContact O-N 2.62Å; N157-G159 VanDerWaalsContact C-N 3.34Å
158	S	76.5	Confident	69.8	Low	49 Å²	49	74.6 Å²	74.6	34%	0.343	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-7.5	178.3	-57.4	0	0	0	0	113.4	V154 A155 A156 R168	V154-S158 WeakPolarHBondContact O-CB 3.48Å; V154-S158 PolarHBondContact O-N 3.24Å; V154-S158 VanDerWaalsContact O-N 3.16Å; V154-S158 PolarHBondContact O-OG 3.09Å; A155-S158 PolarHBondContact O-N 3.15Å; A155-S158 VanDerWaalsContact O-N 3.16Å; A156-S158 PolarHBondContact O-N 3.05Å; S158-R168 PolarHBondContact O-NH1 3.4Å
159	G	59.8	Low	68	Low	54 Å²	54	82.1 Å²	82.1	56%	0.557	51%	0.509	S	S	*	.	S	Bend	trans	-93	-5.4	-166.4	0	0	0	0	0	117.8	A155 A156 N157	A155-G159 PolarHBondContact O-N 3.26Å; A156-G159 PolarHBondContact O-N 3.33Å; N157-G159 VanDerWaalsContact C-N 3.34Å
160	G	51.5	Low	66.7	Low	83 Å²	83	88.3 Å²	88.3	86%	0.856	54%	0.542	S	S	*	.			trans	-91.8	-2.2	-166.5	0	0	0	0	0	118.8
161	G	42	Very low	66	Low	45 Å²	45	90.9 Å²	90.9	46%	0.464	56%	0.56	S	S	.	*	S	Bend	trans	-101.9	129.9	-179.1	0	0	0	0	0	112.9	R168	G161-R168 PolarHBondContact O-NH2 3.31Å
162	S	37.1	Very low	65.8	Low	118 Å²	118	92.3 Å²	92.3	83%	0.825	57%	0.566	S	S	*	*			trans	-47.8	140.9	173.8	-70.4	0	0	0	0	114.3	G164	S162-G164 PolarHBondContact O-N 3.35Å
163	M	36	Very low	65.8	Low	197 Å²	197	89 Å²	89	97%	0.97	55%	0.552	S	S	*	*			trans	0.1	96	152.4	-73.4	-83.2	-74.9	0	0	115.5
164	G	46.5	Very low	65.8	Low	53 Å²	53	91.7 Å²	91.7	55%	0.546	57%	0.565	S	S	.	*			trans	-142.9	134.4	168.7	0	0	0	0	0	109.8	S162 T166	S162-G164 PolarHBondContact O-N 3.35Å; G164-T166 PolarHBondContact O-N 2.88Å; G164-T166 VanDerWaalsContact O-N 3.09Å
165	I	50.3	Low	65.9	Low	181 Å²	181	91.8 Å²	91.8	93%	0.928	57%	0.565	S	S	*	*			trans	-75.4	9.8	-165.5	-65	166.5	0	0	0	113.7
166	T	48.5	Very low	65.9	Low	115 Å²	115	91.7 Å²	91.7	71%	0.706	56%	0.555	S	S	*	*	S	Bend	trans	-82.3	132.8	174.8	33.3	0	0	0	0	111.1	G164 R168	G164-T166 PolarHBondContact O-N 2.88Å; G164-T166 VanDerWaalsContact O-N 3.09Å; T166-R168 PolarHBondContact O-N 3.21Å
167	P	45.9	Very low	65.8	Low	127 Å²	127	89.8 Å²	89.8	83%	0.825	54%	0.539	S	S	*	.			trans	-60.3	111.4	175	23.3	-29.7	0	0	0	108.4	K169	P167-K169 PolarHBondContact O-N 2.78Å
168	R	53.9	Low	65.6	Low	141 Å²	141	93.9 Å²	93.9	53%	0.532	56%	0.556	S	S	.	*			trans	-61.1	123.6	176.7	-79.8	-174.2	178.5	159.3	8.9	108	S158 G161 T166 I170	S158-R168 PolarHBondContact O-NH1 3.4Å; G161-R168 PolarHBondContact O-NH2 3.31Å; T166-R168 PolarHBondContact O-N 3.21Å; R168-I170 PolarHBondContact O-N 3.25Å
169	K	58.6	Low	65.6	Low	195 Å²	195	94.8 Å²	94.8	85%	0.848	57%	0.573	S	S	*	*			trans	-55.4	111.5	167.1	-164.2	177.4	-177	-176.4	0	106.6	P167 S171	P167-K169 PolarHBondContact O-N 2.78Å; K169-S171 PolarHBondContact O-N 3.1Å
170	I	69.1	Low	66.6	Low	150 Å²	150	93.6 Å²	93.6	77%	0.769	56%	0.561	S	S	*	*			trans	-66.6	104	178.9	-64.6	170.4	0	0	0	106.3	R168 T172	R168-I170 PolarHBondContact O-N 3.25Å; I170-T172 HydrophobicContact CG2-CG2 4.46Å
171	S	81.6	Confident	67.9	Low	54 Å²	54	91.2 Å²	91.2	38%	0.378	53%	0.528	S	S	.	.			trans	-72.7	128	172.6	-66.7	0	0	0	0	108.6	V154 K169	V154-S171 WeakPolarHBondContact CG1-O 3.39Å; K169-S171 PolarHBondContact O-N 3.1Å
172	T	89.1	Confident	69.3	Low	89 Å²	89	94.1 Å²	94.1	55%	0.546	53%	0.528	S	S	.	.			trans	-108.6	147.6	173.4	52.3	0	0	0	0	109.4	I170	I170-T172 HydrophobicContact CG2-CG2 4.46Å
173	P	93.5	Very high	70.5	Confident	23 Å²	23	89 Å²	89	15%	0.149	49%	0.492	C	S	.	.			trans	-62.7	142.2	174.6	27.9	-34.6	0	0	0	110.8	P150 V154 F220 F267	P150-P173 HydrophobicContact CB-CB 3.72Å; P150-P173 HydrophobicContact CB-CG 4.34Å; V154-P173 HydrophobicContact CG2-CB 4.26Å; P173-F220 HydrophobicContact CB-CB 4.42Å; P173-F220 HydrophobicContact CB-CD1 4.33Å; P173-F220 HydrophobicContact CB-CD2 3.96Å; P173-F220 HydrophobicContact CB-CE2 4.27Å; P173-F220 HydrophobicContact CB-CG 3.99Å; P173-F220 HydrophobicContact CG-CB 4.03Å; P173-F220 HydrophobicContact CG-CD1 4.18Å; P173-F220 HydrophobicContact CG-CD2 4.44Å; P173-F220 HydrophobicContact CG-CG 3.98Å; P173-F220 WeakPolarHBondContact O-CB 3.47Å; P173-F267 HydrophobicContact CB-CD2 3.94Å; P173-F267 HydrophobicContact CB-CE2 3.74Å
174	E	93.3	Very high	71.5	Confident	58 Å²	58	81.5 Å²	81.5	27%	0.271	47%	0.465	S	S	.	.	B	Isolated β-bridge	trans	-119.9	138.9	176	-60.8	-174.9	138	0	0	108.1	G177 F220 R263 T265 E266 F267	E174-G177 VanDerWaalsContact OE2-CA 3.28Å; E174-G177 WeakPolarHBondContact OE2-CA 3.36Å; E174-F220 VanDerWaalsContact C-CD2 3.43Å; E174-R263 IonicContact OE2-NH2 2.71Å; E174-R263 PolarHBondContact OE2-NH2 2.89Å; E174-T265 WeakPolarHBondContact CA-O 3.5Å; E174-T265 PolarHBondContact N-O 3.15Å; E174-T265 VanDerWaalsContact O-O 3.12Å; E174-E266 WeakPolarHBondContact O-CA 3.32Å; E174-F267 PolarHBondContact O-N 2.88Å; E174-F267 VanDerWaalsContact O-N 3.08Å
175	F	93.4	Very high	72.5	Confident	9 Å²	9	80.7 Å²	80.7	4%	0.039	45%	0.446	C	S	.	.	S	Bend	trans	-72.4	-60.9	175.6	-178.8	-116	0	0	0	108.8	I214 Q218 F220 F229 F231 F267 W268 L271	F175-I214 HydrophobicContact CE1-CG2 3.59Å; F175-I214 HydrophobicContact CZ-CG2 3.78Å; F175-Q218 HydrophobicContact CD1-CB 3.85Å; F175-Q218 HydrophobicContact CE1-CB 3.8Å; F175-Q218 HydrophobicContact CG-CB 4.37Å; F175-Q218 HydrophobicContact CZ-CB 4.28Å; F175-F220 HydrophobicContact CB-CD2 4.13Å; F175-F220 HydrophobicContact CB-CE2 4.05Å; F175-F220 HydrophobicContact CD2-CE2 4.46Å; F175-F229 HydrophobicContact CB-CE1 4.45Å; F175-F229 AromaticContact CD2-CD1 3.69Å; F175-F229 HydrophobicContact CD2-CD1 3.69Å; F175-F229 AromaticContact CD2-CE1 3.53Å; F175-F229 HydrophobicContact CD2-CE1 3.53Å; F175-F229 HydrophobicContact CD2-CZ 4.45Å; F175-F229 AromaticContact CE2-CD1 3.6Å; F175-F229 HydrophobicContact CE2-CD1 3.6Å; F175-F229 AromaticContact CE2-CE1 3.97Å; F175-F229 HydrophobicContact CE2-CE1 3.97Å; F175-F229 HydrophobicContact CE2-CG 4.42Å; F175-F229 HydrophobicContact CG-CD1 4.45Å; F175-F229 HydrophobicContact CG-CE1 4.08Å; F175-F229 HydrophobicContact CZ-CD1 4.3Å; F175-F231 AromaticContact CE2-CZ 3.9Å; F175-F231 HydrophobicContact CE2-CZ 3.9Å; F175-F231 HydrophobicContact CZ-CE1 4.07Å; F175-F231 AromaticContact CZ-CZ 3.84Å; F175-F231 HydrophobicContact CZ-CZ 3.84Å; F175-F267 PolarHBondContact O-N 3.42Å; F175-W268 HydrophobicContact CD2-CB 4.28Å; F175-W268 HydrophobicContact CE1-CB 4.4Å; F175-W268 HydrophobicContact CE2-CB 4.01Å; F175-W268 HydrophobicContact CZ-CB 4.07Å; F175-W268 VanDerWaalsContact O-CB 3.27Å; F175-W268 WeakPolarHBondContact O-CB 3.47Å; F175-W268 PolarHBondContact O-N 3.05Å; F175-L271 HydrophobicContact CD2-CD1 3.79Å; F175-L271 HydrophobicContact CE2-CD1 3.73Å
176	I	89.7	Confident	73.8	Confident	61 Å²	61	72.3 Å²	72.3	31%	0.313	40%	0.403	S	S	.	.	S	Bend	trans	-118.1	130.5	167.3	-64.9	163.7	0	0	0	106.4	I181 I214 W268	I176-I181 HydrophobicContact CD1-CD1 3.82Å; I176-I181 HydrophobicContact CD1-CG1 4.03Å; I176-I181 HydrophobicContact CG1-CD1 4.23Å; I176-I181 HydrophobicContact CG1-CG1 4.05Å; I176-I181 HydrophobicContact CG2-CG1 3.69Å; I176-I214 HydrophobicContact CD1-CG2 4.47Å; I176-W268 HydrophobicContact CG1-CB 4Å; I176-W268 HydrophobicContact CG1-CG 3.98Å
177	G	84.1	Confident	75.2	Confident	4 Å²	4	72.9 Å²	72.9	4%	0.041	39%	0.393	C	S	.	.			trans	-71.2	163.3	-175.7	0	0	0	0	0	113.6	E174 G179 G180 E266	E174-G177 VanDerWaalsContact OE2-CA 3.28Å; E174-G177 WeakPolarHBondContact OE2-CA 3.36Å; G177-G179 PolarHBondContact O-N 2.83Å; G177-G180 PolarHBondContact O-N 2.88Å; G177-E266 PolarHBondContact N-OE1 2.69Å
178	E	76.8	Confident	76.7	Confident	166 Å²	166	69.9 Å²	69.9	78%	0.776	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	132.2	174.4	-160.6	175.1	-154.1	0	0	111.4	R263	E178-R263 PolarHBondContact O-NH1 3.24Å
179	G	76.9	Confident	77.8	Confident	67 Å²	67	64.1 Å²	64.1	69%	0.691	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.4	-0.3	-171.1	0	0	0	0	0	115.1	G177	G177-G179 PolarHBondContact O-N 2.83Å
180	G	80.3	Confident	78.6	Confident	30 Å²	30	59.6 Å²	59.6	31%	0.309	34%	0.335	S	S	.	.			trans	79.5	-170.6	176.3	0	0	0	0	0	113.2	G177 K182	G177-G180 PolarHBondContact O-N 2.88Å; G180-K182 PolarHBondContact O-N 3.46Å
181	I	78.9	Confident	78.8	Confident	33 Å²	33	52.8 Å²	52.8	17%	0.169	30%	0.3	C	S	.	.			trans	-71.7	121.4	-175.8	-62.1	175.5	0	0	0	109.6	I176 A204 L210 I214 W268	I176-I181 HydrophobicContact CD1-CD1 3.82Å; I176-I181 HydrophobicContact CD1-CG1 4.03Å; I176-I181 HydrophobicContact CG1-CD1 4.23Å; I176-I181 HydrophobicContact CG1-CG1 4.05Å; I176-I181 HydrophobicContact CG2-CG1 3.69Å; I181-A204 HydrophobicContact CG2-CB 4.07Å; I181-L210 HydrophobicContact CB-CD2 4.35Å; I181-L210 HydrophobicContact CD1-CD2 3.3Å; I181-L210 HydrophobicContact CD1-CG 3.96Å; I181-L210 HydrophobicContact CG1-CD2 4.35Å; I181-L210 HydrophobicContact CG2-CD2 3.79Å; I181-I214 HydrophobicContact CD1-CD1 4.12Å; I181-W268 HydrophobicContact CD1-CD2 4.41Å; I181-W268 HydrophobicContact CG2-CH2 4.1Å; I181-W268 HydrophobicContact CG2-CZ2 3.43Å; I181-W268 VanDerWaalsContact CG2-CZ2 3.43Å
182	K	71.6	Confident	78.3	Confident	105 Å²	105	51.7 Å²	51.7	46%	0.457	30%	0.297	S	S	.	.			trans	-113.9	130.4	177.3	-68.5	-176.9	-177.9	176.4	0	110.8	G180 G184 E185	G180-K182 PolarHBondContact O-N 3.46Å; K182-G184 PolarHBondContact O-N 3.09Å; K182-E185 HydrophobicContact CB-CG 4.39Å
183	L	61.5	Low	77.6	Confident	12 Å²	12	47.5 Å²	47.5	6%	0.063	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-57.2	-37.8	-178	-135.4	130.3	0	0	0	113	E185 A201 A204 S205 L389	L183-E185 PolarHBondContact O-N 3Å; L183-A201 VanDerWaalsContact CD1-O 3.27Å; L183-A201 WeakPolarHBondContact CD1-O 3.47Å; L183-A201 HydrophobicContact CD2-CB 4.23Å; L183-A201 WeakPolarHBondContact CG-O 3.41Å; L183-A204 HydrophobicContact CD1-CB 4.33Å; L183-A204 HydrophobicContact CG-CB 4.3Å; L183-S205 VanDerWaalsContact CD1-CA 3.4Å; L183-S205 VanDerWaalsContact CD1-N 3.27Å; L183-L389 HydrophobicContact CD2-CB 4.09Å; L183-L389 HydrophobicContact CD2-CD2 3.59Å; L183-L389 HydrophobicContact CD2-CG 4.46Å
184	G	58.4	Low	76.8	Confident	39 Å²	39	48.5 Å²	48.5	40%	0.402	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-77.9	8.3	-168.8	0	0	0	0	0	116.4	K182	K182-G184 PolarHBondContact O-N 3.09Å
185	E	67.8	Low	76.3	Confident	35 Å²	35	46.2 Å²	46.2	16%	0.164	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-109.3	-7.7	-175.7	-61.7	174.9	177.8	0	0	111.8	K182 L183 R187 S261 G262 R263	K182-E185 HydrophobicContact CB-CG 4.39Å; L183-E185 PolarHBondContact O-N 3Å; E185-R187 PolarHBondContact O-N 3.35Å; E185-S261 WeakPolarHBondContact CB-OG 3.35Å; E185-S261 CarbonylContact O-C 3.57Å; E185-S261 VanDerWaalsContact O-C 3.23Å; E185-S261 WeakPolarHBondContact O-CA 3.49Å; E185-G262 PolarHBondContact O-N 3.12Å; E185-R263 VanDerWaalsContact CD-CG 3.49Å; E185-R263 HydrophobicContact CG-CG 4.4Å; E185-R263 VanDerWaalsContact OE1-CD 3.25Å; E185-R263 WeakPolarHBondContact OE1-CD 3.21Å; E185-R263 WeakPolarHBondContact OE2-CD 3.31Å; E185-R263 WeakPolarHBondContact OE2-CG 3.19Å
186	L	77.6	Confident	75.8	Confident	5 Å²	5	45.8 Å²	45.8	3%	0.026	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	124.1	177.6	-73.8	161.5	0	0	0	112	L200 A201 V259 W268 P269	L186-L200 HydrophobicContact CD1-CB 4.41Å; L186-A201 HydrophobicContact CD1-CB 3.95Å; L186-V259 HydrophobicContact CD2-CG1 4.16Å; L186-W268 HydrophobicContact CD1-CH2 4.42Å; L186-W268 HydrophobicContact CD2-CH2 4.2Å; L186-W268 HydrophobicContact CD2-CZ2 4.31Å; L186-P269 HydrophobicContact CD2-CB 3.52Å; L186-P269 HydrophobicContact CD2-CG 3.79Å
187	R	76.6	Confident	75.4	Confident	127 Å²	127	42.9 Å²	42.9	48%	0.479	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129.4	173.6	-63.8	-176.7	177.6	-148.5	5	109.9	E185 V259 H260	E185-R187 PolarHBondContact O-N 3.35Å; R187-V259 WeakPolarHBondContact O-CA 3.37Å; R187-H260 VanDerWaalsContact CD-CE1 3.41Å; R187-H260 WeakPolarHBondContact CD-CE1 3.29Å; R187-H260 PolarHBondContact N-O 2.91Å; R187-H260 PolarHBondContact O-N 3.16Å
188	Q	78.4	Confident	75.3	Confident	64 Å²	64	42.8 Å²	42.8	30%	0.299	25%	0.249	S	C	.	.			trans	-73.8	136.5	173.6	-172	-177.2	-12.4	0	0	109.5	L191 V197	Q188-L191 PolarHBondContact NE2-O 3.12Å; Q188-V197 HydrophobicContact CB-CG2 4.41Å; Q188-V197 HydrophobicContact CG-CG2 4.2Å
189	G	77.2	Confident	75.8	Confident	21 Å²	21	34.9 Å²	34.9	22%	0.216	21%	0.212	C	C	.	.			trans	-88.9	-150.6	170.7	0	0	0	0	0	112.9	L191 L257	G189-L191 VanDerWaalsContact C-N 3.32Å; G189-L191 PolarHBondContact O-N 2.95Å; G189-L257 CarbonylContact C-O 3.52Å; G189-L257 WeakPolarHBondContact CA-O 3.18Å
190	E	75	Confident	76.2	Confident	100 Å²	100	31.7 Å²	31.7	47%	0.467	18%	0.179	S	C	.	.	S	Bend	trans	-83.8	-4.5	-172.9	-61.7	-172.7	176.5	0	0	114.3	K251 L257	E190-K251 WeakPolarHBondContact OE1-CE 3.2Å; E190-K251 IonicContact OE1-NZ 2.95Å; E190-K251 PolarHBondContact OE1-NZ 3.44Å; E190-L257 HydrophobicContact CG-CD1 4.26Å; E190-L257 PolarHBondContact N-O 3.2Å; E190-L257 WeakPolarHBondContact OE2-CD1 3.32Å
191	L	74	Confident	76.3	Confident	7 Å²	7	30.3 Å²	30.3	4%	0.037	17%	0.165	C	C	.	.	S	Bend	trans	-82.2	143.5	-179.3	-167.3	61.2	0	0	0	111.4	Q188 G189 D193 F258 Y283 L286 N287	Q188-L191 PolarHBondContact NE2-O 3.12Å; G189-L191 VanDerWaalsContact C-N 3.32Å; G189-L191 PolarHBondContact O-N 2.95Å; L191-D193 HydrophobicContact CB-CB 4.47Å; L191-D193 HydrophobicContact CD2-CB 3.97Å; L191-D193 HydrophobicContact CG-CB 3.96Å; L191-D193 PolarHBondContact O-N 3.16Å; L191-F258 HydrophobicContact CB-CD1 3.64Å; L191-F258 HydrophobicContact CB-CE1 3.9Å; L191-F258 HydrophobicContact CD1-CE1 4.38Å; L191-F258 HydrophobicContact CD2-CD1 4.34Å; L191-F258 HydrophobicContact CD2-CE1 4.4Å; L191-F258 HydrophobicContact CG-CE1 4.47Å; L191-Y283 HydrophobicContact CD2-CD1 4.17Å; L191-Y283 WeakPolarHBondContact CD2-O 3.41Å; L191-L286 HydrophobicContact CD2-CB 4.15Å; L191-N287 HydrophobicContact CD1-CB 4.36Å
192	G	70.5	Confident	76.5	Confident	31 Å²	31	28.9 Å²	28.9	32%	0.32	16%	0.158	S	C	.	.	S	Bend	trans	-76.2	40	174.8	0	0	0	0	0	113.4	N287 V288	G192-N287 VanDerWaalsContact CA-OD1 3.31Å; G192-N287 WeakPolarHBondContact CA-OD1 3.49Å; G192-V288 PolarHBondContact O-N 3.25Å
193	D	74.4	Confident	77.1	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.137	C	C	.	.			trans	-108.2	24.7	-175.9	73.9	-28.2	0	0	0	112.9	L191 W195 V196 V197 E273 L286	L191-D193 HydrophobicContact CB-CB 4.47Å; L191-D193 HydrophobicContact CD2-CB 3.97Å; L191-D193 HydrophobicContact CG-CB 3.96Å; L191-D193 PolarHBondContact O-N 3.16Å; D193-W195 PolarHBondContact O-N 3.47Å; D193-V196 HydrophobicContact CB-CG2 4.25Å; D193-V196 WeakPolarHBondContact O-CB 3.47Å; D193-V196 PolarHBondContact O-N 3.04Å; D193-V197 PolarHBondContact O-N 3.29Å; D193-E273 VanDerWaalsContact OD2-OE1 3.05Å; D193-L286 HydrophobicContact CB-CB 4.12Å
194	C	76.8	Confident	78	Confident	45 Å²	45	23.5 Å²	23.5	30%	0.304	14%	0.135	S	C	.	.	H	α-helix	trans	-47	-27.6	175.4	60	0	0	0	0	113.8	V197 A198	C194-V197 PolarHBondContact O-N 3.23Å; C194-A198 WeakPolarHBondContact O-CB 3.46Å; C194-A198 PolarHBondContact O-N 2.76Å
195	W	82.4	Confident	78.8	Confident	9 Å²	9	24.5 Å²	24.5	3%	0.034	14%	0.136	C	C	.	.	H	α-helix	trans	-65.4	-35.4	175.1	67.1	-80	0	0	0	113.8	D193 A199 Y276 L286 G289 V291 D293 A294 R526	D193-W195 PolarHBondContact O-N 3.47Å; W195-A199 PolarHBondContact O-N 2.76Å; W195-Y276 AromaticContact CH2-CE1 3.69Å; W195-Y276 HydrophobicContact CH2-CE1 3.69Å; W195-Y276 WeakPolarHBondContact CH2-OH 3.35Å; W195-Y276 HydrophobicContact CZ2-CE1 4.3Å; W195-Y276 HydrophobicContact CZ3-CE1 4.34Å; W195-L286 PolarHBondContact NE1-O 3.08Å; W195-G289 VanDerWaalsContact NE1-N 3.17Å; W195-V291 HydrophobicContact CB-CG2 4.03Å; W195-D293 HydrophobicContact CZ3-CB 4.21Å; W195-A294 HydrophobicContact CE3-CB 3.5Å; W195-A294 VanDerWaalsContact CE3-CB 3.5Å; W195-A294 HydrophobicContact CZ3-CB 3.43Å; W195-A294 VanDerWaalsContact CZ3-CB 3.43Å; W195-R526 VanDerWaalsContact CH2-NH1 3.31Å
196	V	82.9	Confident	79.3	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.006	14%	0.137	C	C	.	.	H	α-helix	trans	-70.7	-45.3	172.6	-176.7	0	0	0	0	109.6	D193 A198 A199 L200 Y276	D193-V196 HydrophobicContact CB-CG2 4.25Å; D193-V196 WeakPolarHBondContact O-CB 3.47Å; D193-V196 PolarHBondContact O-N 3.04Å; V196-A198 VanDerWaalsContact C-N 3.29Å; V196-A198 PolarHBondContact O-N 2.92Å; V196-A199 PolarHBondContact O-N 2.8Å; V196-L200 HydrophobicContact CG1-CD1 3.92Å; V196-L200 HydrophobicContact CG1-CG 4.3Å; V196-L200 WeakPolarHBondContact O-CB 3.36Å; V196-L200 WeakPolarHBondContact O-CG 3.48Å; V196-L200 PolarHBondContact O-N 3.46Å; V196-Y276 HydrophobicContact CG1-CD1 4.1Å; V196-Y276 HydrophobicContact CG1-CE1 4.35Å; V196-Y276 HydrophobicContact CG2-CD1 4.06Å; V196-Y276 HydrophobicContact CG2-CE1 3.77Å
197	V	81.8	Confident	79.3	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.7	-42.1	178.3	-169.7	0	0	0	0	111.2	Q188 D193 C194 L200 A201 V259 W390	Q188-V197 HydrophobicContact CB-CG2 4.41Å; Q188-V197 HydrophobicContact CG-CG2 4.2Å; D193-V197 PolarHBondContact O-N 3.29Å; C194-V197 PolarHBondContact O-N 3.23Å; V197-L200 PolarHBondContact O-N 2.91Å; V197-A201 WeakPolarHBondContact O-CB 3.24Å; V197-A201 PolarHBondContact O-N 3.03Å; V197-V259 HydrophobicContact CG2-CG2 3.37Å; V197-W390 HydrophobicContact CB-CZ2 4.22Å; V197-W390 HydrophobicContact CG1-CZ2 4.07Å
198	A	81.7	Confident	79.5	Confident	1 Å²	1	23.3 Å²	23.3	1%	0.008	15%	0.145	C	C	.	.	H	α-helix	trans	-57.7	-50.3	175.1	0	0	0	0	0	112.1	C194 V196 A201 A202 V291 A361 W390	C194-A198 WeakPolarHBondContact O-CB 3.46Å; C194-A198 PolarHBondContact O-N 2.76Å; V196-A198 VanDerWaalsContact C-N 3.29Å; V196-A198 PolarHBondContact O-N 2.92Å; A198-A201 PolarHBondContact O-N 2.89Å; A198-A202 WeakPolarHBondContact O-CB 3.36Å; A198-A202 PolarHBondContact O-N 3.16Å; A198-V291 HydrophobicContact CB-CG1 3.99Å; A198-V291 HydrophobicContact CB-CG2 3.89Å; A198-A361 HydrophobicContact CB-CB 3.81Å; A198-W390 VanDerWaalsContact CA-CH2 3.44Å; A198-W390 HydrophobicContact CB-CH2 3.58Å; A198-W390 HydrophobicContact CB-CZ2 4.27Å
199	A	87.6	Confident	79.8	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.3	-42.1	179.1	0	0	0	0	0	111.5	W195 V196 A202 I203 V291 A294 M295 L298	W195-A199 PolarHBondContact O-N 2.76Å; V196-A199 PolarHBondContact O-N 2.8Å; A199-A202 PolarHBondContact O-N 3.22Å; A199-I203 WeakPolarHBondContact O-CD1 3.31Å; A199-I203 WeakPolarHBondContact O-CG1 3.43Å; A199-I203 PolarHBondContact O-N 3.42Å; A199-V291 HydrophobicContact CB-CG1 4.31Å; A199-A294 HydrophobicContact CB-CB 3.44Å; A199-A294 VanDerWaalsContact CB-CB 3.44Å; A199-M295 HydrophobicContact CB-CG 3.7Å; A199-L298 HydrophobicContact CB-CD1 3.96Å
200	L	85.7	Confident	80.2	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.7	-45.7	176.1	-74.9	171.6	0	0	0	112.1	L186 V196 V197 A202 I203 A204 W268 L272 L298	L186-L200 HydrophobicContact CD1-CB 4.41Å; V196-L200 HydrophobicContact CG1-CD1 3.92Å; V196-L200 HydrophobicContact CG1-CG 4.3Å; V196-L200 WeakPolarHBondContact O-CB 3.36Å; V196-L200 WeakPolarHBondContact O-CG 3.48Å; V196-L200 PolarHBondContact O-N 3.46Å; V197-L200 PolarHBondContact O-N 2.91Å; L200-A202 VanDerWaalsContact C-N 3.32Å; L200-A202 PolarHBondContact O-N 3.49Å; L200-I203 PolarHBondContact O-N 3.36Å; L200-A204 VanDerWaalsContact O-CB 3.26Å; L200-A204 WeakPolarHBondContact O-CB 3.5Å; L200-A204 PolarHBondContact O-N 3.09Å; L200-W268 HydrophobicContact CD2-CZ3 4.47Å; L200-L272 HydrophobicContact CD1-CD2 3.98Å; L200-L272 HydrophobicContact CD2-CD1 3.66Å; L200-L272 HydrophobicContact CD2-CD2 3.58Å; L200-L272 HydrophobicContact CD2-CG 4.28Å; L200-L272 HydrophobicContact CG-CD2 4.33Å; L200-L298 HydrophobicContact CD2-CD1 3.79Å; L200-L298 HydrophobicContact CD2-CD2 4.09Å; L200-L298 HydrophobicContact CG-CD1 4.07Å
201	A	81.5	Confident	80.8	Confident	1 Å²	1	15.1 Å²	15.1	1%	0.008	10%	0.102	C	C	.	.	H	α-helix	trans	-65	-38.8	178	0	0	0	0	0	111.1	L183 L186 V197 A198 A204 S205 L389	L183-A201 VanDerWaalsContact CD1-O 3.27Å; L183-A201 WeakPolarHBondContact CD1-O 3.47Å; L183-A201 HydrophobicContact CD2-CB 4.23Å; L183-A201 WeakPolarHBondContact CG-O 3.41Å; L186-A201 HydrophobicContact CD1-CB 3.95Å; V197-A201 WeakPolarHBondContact O-CB 3.24Å; V197-A201 PolarHBondContact O-N 3.03Å; A198-A201 PolarHBondContact O-N 2.89Å; A201-A204 PolarHBondContact O-N 3.04Å; A201-S205 PolarHBondContact O-N 3.1Å; A201-L389 HydrophobicContact CB-CB 3.78Å; A201-L389 HydrophobicContact CB-CD1 4.35Å; A201-L389 HydrophobicContact CB-CG 4.47Å
202	A	82.6	Confident	81.5	Confident	4 Å²	4	15 Å²	15	3%	0.033	10%	0.101	C	C	.	.	H	α-helix	trans	-61.6	-46.2	174	0	0	0	0	0	112	A198 A199 L200 S205 T337 L389	A198-A202 WeakPolarHBondContact O-CB 3.36Å; A198-A202 PolarHBondContact O-N 3.16Å; A199-A202 PolarHBondContact O-N 3.22Å; L200-A202 VanDerWaalsContact C-N 3.32Å; L200-A202 PolarHBondContact O-N 3.49Å; A202-S205 WeakPolarHBondContact O-CB 3.44Å; A202-S205 PolarHBondContact O-N 3.42Å; A202-S205 PolarHBondContact O-OG 3.11Å; A202-T337 HydrophobicContact CB-CG2 3.4Å; A202-L389 HydrophobicContact CB-CD1 4.32Å
203	I	84.2	Confident	82.5	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-70.7	-34.5	-179.7	-64	161.9	0	0	0	111.5	A199 L200 S205 Q206 L209 L210 L298 T299 L335	A199-I203 WeakPolarHBondContact O-CD1 3.31Å; A199-I203 WeakPolarHBondContact O-CG1 3.43Å; A199-I203 PolarHBondContact O-N 3.42Å; L200-I203 PolarHBondContact O-N 3.36Å; I203-S205 PolarHBondContact O-N 3.14Å; I203-S205 VanDerWaalsContact O-N 3.11Å; I203-Q206 CarbonylContact O-C 3.57Å; I203-Q206 WeakPolarHBondContact O-CA 3.31Å; I203-Q206 PolarHBondContact O-N 3.08Å; I203-L209 HydrophobicContact CG2-CB 4.4Å; I203-L209 HydrophobicContact CG2-CD2 4.28Å; I203-L209 HydrophobicContact CG2-CG 4.23Å; I203-L210 HydrophobicContact CG2-CB 4.05Å; I203-L210 HydrophobicContact CG2-CD1 3.85Å; I203-L210 HydrophobicContact CG2-CG 4.48Å; I203-L298 HydrophobicContact CD1-CB 3.21Å; I203-L298 HydrophobicContact CD1-CD1 3.53Å; I203-L298 HydrophobicContact CD1-CG 3.98Å; I203-T299 HydrophobicContact CD1-CG2 3.55Å; I203-T299 HydrophobicContact CG1-CG2 3.74Å; I203-L335 HydrophobicContact CB-CD1 4.38Å; I203-L335 HydrophobicContact CG1-CD1 3.43Å; I203-L335 VanDerWaalsContact CG1-CD1 3.43Å
204	A	80.5	Confident	83.4	Confident	4 Å²	4	13.9 Å²	13.9	3%	0.033	9%	0.088	C	C	.	.	H	α-helix	trans	-60.6	-19.3	175.2	0	0	0	0	0	112.8	I181 L183 L200 A201 Q206 L210	I181-A204 HydrophobicContact CG2-CB 4.07Å; L183-A204 HydrophobicContact CD1-CB 4.33Å; L183-A204 HydrophobicContact CG-CB 4.3Å; L200-A204 VanDerWaalsContact O-CB 3.26Å; L200-A204 WeakPolarHBondContact O-CB 3.5Å; L200-A204 PolarHBondContact O-N 3.09Å; A201-A204 PolarHBondContact O-N 3.04Å; A204-Q206 PolarHBondContact O-N 3.02Å; A204-L210 HydrophobicContact CB-CD2 4.36Å
205	S	75.1	Confident	84.1	Confident	59 Å²	59	11.8 Å²	11.8	41%	0.413	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-17.6	171.1	76.7	0	0	0	0	113.2	L183 A201 A202 I203	L183-S205 VanDerWaalsContact CD1-CA 3.4Å; L183-S205 VanDerWaalsContact CD1-N 3.27Å; A201-S205 PolarHBondContact O-N 3.1Å; A202-S205 WeakPolarHBondContact O-CB 3.44Å; A202-S205 PolarHBondContact O-N 3.42Å; A202-S205 PolarHBondContact O-OG 3.11Å; I203-S205 PolarHBondContact O-N 3.14Å; I203-S205 VanDerWaalsContact O-N 3.11Å
206	Q	79.1	Confident	84.5	Confident	43 Å²	43	14.4 Å²	14.4	20%	0.201	9%	0.091	C	C	.	.	S	Bend	trans	-124.2	81.4	177.4	-63.9	-172.2	-0.8	0	0	110.2	I203 A204 S208 L209 L210 R333 L335	I203-Q206 CarbonylContact O-C 3.57Å; I203-Q206 WeakPolarHBondContact O-CA 3.31Å; I203-Q206 PolarHBondContact O-N 3.08Å; A204-Q206 PolarHBondContact O-N 3.02Å; Q206-S208 PolarHBondContact O-N 3.25Å; Q206-L209 HydrophobicContact CB-CB 4.18Å; Q206-L209 WeakPolarHBondContact O-CB 3.21Å; Q206-L209 PolarHBondContact O-N 2.98Å; Q206-L210 PolarHBondContact O-N 3.34Å; Q206-R333 PolarHBondContact NE2-O 2.92Å; Q206-L335 VanDerWaalsContact CD-CD2 3.45Å; Q206-L335 HydrophobicContact CG-CD2 3.99Å
207	P	77.4	Confident	84.8	Confident	76 Å²	76	17.2 Å²	17.2	49%	0.494	12%	0.12	S	C	.	.	H	α-helix	trans	-55.5	-29.5	-175.1	-28	35.2	0	0	0	114.8	L209 L210 S211	P207-L209 VanDerWaalsContact C-N 3.3Å; P207-L209 PolarHBondContact O-N 3.17Å; P207-L210 PolarHBondContact O-N 2.96Å; P207-S211 PolarHBondContact O-N 3.06Å
208	S	80.5	Confident	85.4	Confident	24 Å²	24	17.9 Å²	17.9	17%	0.168	12%	0.123	C	C	.	.	H	α-helix	trans	-66.8	-29.1	176.5	55.4	0	0	0	0	113.6	Q206 S211 P452	Q206-S208 PolarHBondContact O-N 3.25Å; S208-S211 PolarHBondContact O-OG 2.92Å; S208-P452 WeakPolarHBondContact O-CD 3.33Å
209	L	84.8	Confident	86	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-78	-37	175.9	-173.9	60.2	0	0	0	110.9	I203 Q206 P207 S211 R212 T299 L335 L447	I203-L209 HydrophobicContact CG2-CB 4.4Å; I203-L209 HydrophobicContact CG2-CD2 4.28Å; I203-L209 HydrophobicContact CG2-CG 4.23Å; Q206-L209 HydrophobicContact CB-CB 4.18Å; Q206-L209 WeakPolarHBondContact O-CB 3.21Å; Q206-L209 PolarHBondContact O-N 2.98Å; P207-L209 VanDerWaalsContact C-N 3.3Å; P207-L209 PolarHBondContact O-N 3.17Å; L209-S211 PolarHBondContact O-N 2.93Å; L209-R212 WeakPolarHBondContact O-CB 3.29Å; L209-R212 PolarHBondContact O-N 2.93Å; L209-T299 HydrophobicContact CD2-CG2 3.63Å; L209-T299 HydrophobicContact CG-CG2 4.15Å; L209-L335 HydrophobicContact CD2-CD1 3.75Å; L209-L335 HydrophobicContact CD2-CD2 4.49Å; L209-L335 HydrophobicContact CD2-CG 4.28Å; L209-L447 HydrophobicContact CD1-CD1 4.48Å; L209-L447 HydrophobicContact CD1-CD2 4.25Å; L209-L447 HydrophobicContact CD2-CD1 4.11Å; L209-L447 HydrophobicContact CD2-CD2 3.75Å
210	L	86	Confident	86.3	Confident	1 Å²	1	20.1 Å²	20.1	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-64.7	-26	-179	-165.7	53.4	0	0	0	112.9	I181 I203 A204 Q206 P207 R212 T213 I214 W268	I181-L210 HydrophobicContact CB-CD2 4.35Å; I181-L210 HydrophobicContact CD1-CD2 3.3Å; I181-L210 HydrophobicContact CD1-CG 3.96Å; I181-L210 HydrophobicContact CG1-CD2 4.35Å; I181-L210 HydrophobicContact CG2-CD2 3.79Å; I203-L210 HydrophobicContact CG2-CB 4.05Å; I203-L210 HydrophobicContact CG2-CD1 3.85Å; I203-L210 HydrophobicContact CG2-CG 4.48Å; A204-L210 HydrophobicContact CB-CD2 4.36Å; Q206-L210 PolarHBondContact O-N 3.34Å; P207-L210 PolarHBondContact O-N 2.96Å; L210-R212 PolarHBondContact O-N 3.16Å; L210-R212 VanDerWaalsContact O-N 3.17Å; L210-T213 PolarHBondContact O-N 2.84Å; L210-T213 VanDerWaalsContact O-N 3.1Å; L210-I214 HydrophobicContact CD1-CD1 3.87Å; L210-I214 HydrophobicContact CD1-CG1 4.09Å; L210-I214 HydrophobicContact CD2-CD1 4.18Å; L210-I214 HydrophobicContact CG-CD1 3.78Å; L210-I214 HydrophobicContact CG-CG1 4.17Å; L210-I214 PolarHBondContact O-N 3.4Å; L210-W268 HydrophobicContact CD2-CH2 4.16Å; L210-W268 HydrophobicContact CD2-CZ3 4.28Å
211	S	86.8	Confident	86.7	Confident	12 Å²	12	28 Å²	28	8%	0.084	17%	0.166	C	C	.	.	H	α-helix	trans	-66	-13.1	172.6	72.2	0	0	0	0	113.9	P207 S208 L209 I214 I454	P207-S211 PolarHBondContact O-N 3.06Å; S208-S211 PolarHBondContact O-OG 2.92Å; L209-S211 PolarHBondContact O-N 2.93Å; S211-I214 WeakPolarHBondContact CA-O 3.34Å; S211-I454 WeakPolarHBondContact OG-CD1 3.49Å
212	R	88.9	Confident	87.1	Confident	5 Å²	5	34.2 Å²	34.2	2%	0.019	20%	0.203	C	C	.	.	H	α-helix	trans	-73.4	-41.8	171.7	-164.2	177.7	-69.9	163.2	-7.3	110.7	P101 L209 L210 R232 W239 T299 E449 P450 P452	P101-R212 HydrophobicContact CB-CG 3.76Å; P101-R212 HydrophobicContact CG-CG 3.65Å; L209-R212 WeakPolarHBondContact O-CB 3.29Å; L209-R212 PolarHBondContact O-N 2.93Å; L210-R212 PolarHBondContact O-N 3.16Å; L210-R212 VanDerWaalsContact O-N 3.17Å; R212-R232 WeakPolarHBondContact O-CB 3.28Å; R212-R232 VanDerWaalsContact O-CD 3.25Å; R212-R232 WeakPolarHBondContact O-CD 3.36Å; R212-W239 HydrophobicContact CG-CH2 3.71Å; R212-W239 HydrophobicContact CG-CZ2 3.82Å; R212-W239 HydrophobicContact CG-CZ3 4.1Å; R212-T299 PolarHBondContact NH1-O 2.92Å; R212-E449 PolarHBondContact NH2-O 3.35Å; R212-P450 PolarHBondContact NH2-O 3.1Å; R212-P452 HydrophobicContact CB-CG 3.84Å; R212-P452 HydrophobicContact CG-CG 4.22Å
213	T	92.6	Very high	87.5	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-79	-39	177.6	-47.8	0	0	0	0	112.5	L210 P215 F231 R232 F233 L272 L298	L210-T213 PolarHBondContact O-N 2.84Å; L210-T213 VanDerWaalsContact O-N 3.1Å; T213-P215 WeakPolarHBondContact O-CD 3.48Å; T213-F231 CarbonylContact O-C 3.51Å; T213-F231 WeakPolarHBondContact O-CA 3.5Å; T213-R232 WeakPolarHBondContact CA-O 3.36Å; T213-R232 WeakPolarHBondContact CG2-O 3.4Å; T213-R232 PolarHBondContact O-N 3.42Å; T213-F233 HydrophobicContact CG2-CE1 4.27Å; T213-L272 HydrophobicContact CG2-CD1 3.84Å; T213-L298 HydrophobicContact CG2-CD2 3.72Å; T213-L298 PolarHBondContact OG1-O 3.46Å
214	I	92.7	Very high	88	Confident	6 Å²	6	42.2 Å²	42.2	3%	0.031	24%	0.239	C	C	.	.	S	Bend	trans	-111.4	99.7	-175.1	-51.7	-176.4	0	0	0	108.4	F175 I176 I181 L210 S211 T216 F231 W268 L272	F175-I214 HydrophobicContact CE1-CG2 3.59Å; F175-I214 HydrophobicContact CZ-CG2 3.78Å; I176-I214 HydrophobicContact CD1-CG2 4.47Å; I181-I214 HydrophobicContact CD1-CD1 4.12Å; L210-I214 HydrophobicContact CD1-CD1 3.87Å; L210-I214 HydrophobicContact CD1-CG1 4.09Å; L210-I214 HydrophobicContact CD2-CD1 4.18Å; L210-I214 HydrophobicContact CG-CD1 3.78Å; L210-I214 HydrophobicContact CG-CG1 4.17Å; L210-I214 PolarHBondContact O-N 3.4Å; S211-I214 WeakPolarHBondContact CA-O 3.34Å; I214-T216 PolarHBondContact O-N 3.1Å; I214-F231 HydrophobicContact CD1-CE1 4.45Å; I214-F231 HydrophobicContact CG1-CD1 4.11Å; I214-F231 HydrophobicContact CG1-CE1 4.09Å; I214-F231 HydrophobicContact CG2-CE1 4.3Å; I214-W268 HydrophobicContact CD1-CD2 4.06Å; I214-W268 HydrophobicContact CD1-CE3 3.35Å; I214-W268 HydrophobicContact CD1-CZ3 3.84Å; I214-L272 HydrophobicContact CD1-CD1 3.92Å; I214-L272 HydrophobicContact CG1-CD1 3.96Å
215	P	92.1	Very high	88.8	Confident	1 Å²	1	44 Å²	44	1%	0.006	24%	0.244	C	C	.	.			trans	-53.5	135.8	173.6	-21.2	28.5	0	0	0	111.4	G103 P105 T213 Q218 A230 R232	G103-P215 WeakPolarHBondContact O-CA 3.34Å; P105-P215 HydrophobicContact CB-CB 4.5Å; P105-P215 HydrophobicContact CG-CB 3.88Å; T213-P215 WeakPolarHBondContact O-CD 3.48Å; P215-Q218 PolarHBondContact O-NE2 3.44Å; P215-A230 VanDerWaalsContact CD-O 3.29Å; P215-A230 WeakPolarHBondContact CD-O 3.47Å; P215-A230 HydrophobicContact CG-CB 4.34Å; P215-R232 HydrophobicContact CG-CG 4.27Å
216	T	89.2	Confident	89.9	Confident	64 Å²	64	41.2 Å²	41.2	39%	0.393	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	156.9	-179.2	55.5	0	0	0	0	111.9	G103 G104 I214	G103-T216 PolarHBondContact O-N 3.35Å; G104-T216 VanDerWaalsContact CA-O 3.28Å; G104-T216 WeakPolarHBondContact CA-O 3.24Å; I214-T216 PolarHBondContact O-N 3.1Å
217	G	89.3	Confident	90.7	Very high	61 Å²	61	39.1 Å²	39.1	63%	0.629	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.8	0.2	174.7	0	0	0	0	0	116	W224	G217-W224 PolarHBondContact O-NE1 2.84Å
218	Q	94.2	Very high	91.7	Very high	14 Å²	14	35.5 Å²	35.5	7%	0.065	19%	0.192	C	C	.	.			trans	-73.7	143.3	174.4	-59.1	-176.1	81.3	0	0	111.6	P105 F175 P215 W224 F229 A230	P105-Q218 HydrophobicContact CG-CG 4.07Å; F175-Q218 HydrophobicContact CD1-CB 3.85Å; F175-Q218 HydrophobicContact CE1-CB 3.8Å; F175-Q218 HydrophobicContact CG-CB 4.37Å; F175-Q218 HydrophobicContact CZ-CB 4.28Å; P215-Q218 PolarHBondContact O-NE2 3.44Å; Q218-W224 HydrophobicContact CB-CH2 3.74Å; Q218-W224 HydrophobicContact CB-CZ2 4.07Å; Q218-W224 HydrophobicContact CB-CZ3 4.34Å; Q218-W224 HydrophobicContact CG-CH2 3.82Å; Q218-W224 HydrophobicContact CG-CZ2 3.94Å; Q218-F229 HydrophobicContact CB-CD1 4.09Å; Q218-F229 HydrophobicContact CB-CE1 4.28Å; Q218-A230 PolarHBondContact NE2-O 2.88Å; Q218-A230 PolarHBondContact OE1-O 3.44Å
219	S	94.8	Very high	92.6	Very high	26 Å²	26	34.4 Å²	34.4	18%	0.182	18%	0.184	C	C	.	.			trans	-156.1	166.1	-171.7	-160.7	0	0	0	0	114.2	R221 W224	S219-R221 WeakPolarHBondContact OG-CG 3.3Å; S219-R221 PolarHBondContact OG-N 3.34Å; S219-W224 VanDerWaalsContact O-CZ3 3.23Å; S219-W224 WeakPolarHBondContact O-CZ3 3.28Å
220	F	95.4	Very high	93.2	Very high	22 Å²	22	34.4 Å²	34.4	10%	0.096	18%	0.184	C	C	.	.			trans	-102.3	6.4	165.1	-68.4	-77.4	0	0	0	112.9	P150 P173 E174 F175 Y225 F229 D246 F267 L271	P150-F220 HydrophobicContact CB-CE1 3.84Å; P150-F220 HydrophobicContact CB-CZ 3.84Å; P150-F220 HydrophobicContact CG-CE1 3.6Å; P150-F220 HydrophobicContact CG-CZ 3.58Å; P173-F220 HydrophobicContact CB-CB 4.42Å; P173-F220 HydrophobicContact CB-CD1 4.33Å; P173-F220 HydrophobicContact CB-CD2 3.96Å; P173-F220 HydrophobicContact CB-CE2 4.27Å; P173-F220 HydrophobicContact CB-CG 3.99Å; P173-F220 HydrophobicContact CG-CB 4.03Å; P173-F220 HydrophobicContact CG-CD1 4.18Å; P173-F220 HydrophobicContact CG-CD2 4.44Å; P173-F220 HydrophobicContact CG-CG 3.98Å; P173-F220 WeakPolarHBondContact O-CB 3.47Å; E174-F220 VanDerWaalsContact C-CD2 3.43Å; F175-F220 HydrophobicContact CB-CD2 4.13Å; F175-F220 HydrophobicContact CB-CE2 4.05Å; F175-F220 HydrophobicContact CD2-CE2 4.46Å; F220-Y225 AromaticContact CD1-CD2 3.75Å; F220-Y225 HydrophobicContact CD1-CD2 3.75Å; F220-Y225 AromaticContact CD1-CE2 3.63Å; F220-Y225 HydrophobicContact CD1-CE2 3.63Å; F220-Y225 HydrophobicContact CE1-CD2 4.42Å; F220-Y225 AromaticContact CE1-CE2 3.96Å; F220-Y225 HydrophobicContact CE1-CE2 3.96Å; F220-F229 HydrophobicContact CD1-CE2 4.39Å; F220-F229 AromaticContact CD1-CZ 3.86Å; F220-F229 HydrophobicContact CD1-CZ 3.86Å; F220-F229 HydrophobicContact CD2-CZ 4.45Å; F220-F229 AromaticContact CE1-CE2 3.65Å; F220-F229 HydrophobicContact CE1-CE2 3.65Å; F220-F229 AromaticContact CE1-CZ 3.4Å; F220-F229 HydrophobicContact CE1-CZ 3.4Å; F220-F229 VanDerWaalsContact CE1-CZ 3.4Å; F220-F229 HydrophobicContact CE2-CZ 4.09Å; F220-F229 HydrophobicContact CG-CZ 4.35Å; F220-F229 HydrophobicContact CZ-CE1 4.33Å; F220-F229 AromaticContact CZ-CE2 3.94Å; F220-F229 HydrophobicContact CZ-CE2 3.94Å; F220-F229 AromaticContact CZ-CZ 3.53Å; F220-F229 HydrophobicContact CZ-CZ 3.53Å; F220-D246 HydrophobicContact CE1-CB 4.5Å; F220-F267 HydrophobicContact CE2-CB 4.11Å; F220-F267 HydrophobicContact CE2-CD2 4.36Å; F220-F267 HydrophobicContact CZ-CB 4.16Å; F220-L271 HydrophobicContact CZ-CD1 4.02Å
221	R	93	Very high	93.7	Very high	166 Å²	166	34.3 Å²	34.3	63%	0.626	18%	0.184	S	C	*	.			trans	-61.2	141.7	175.5	-70.5	175.8	-176.7	-142	1.5	110.7	S219 E223 W224 Y225	S219-R221 WeakPolarHBondContact OG-CG 3.3Å; S219-R221 PolarHBondContact OG-N 3.34Å; R221-E223 HydrophobicContact CB-CG 4.42Å; R221-E223 WeakPolarHBondContact CB-OE1 3.34Å; R221-E223 WeakPolarHBondContact CD-OE1 3.28Å; R221-E223 PolarHBondContact O-N 3.43Å; R221-W224 PolarHBondContact O-N 3.08Å; R221-Y225 VanDerWaalsContact O-CB 3.28Å; R221-Y225 WeakPolarHBondContact O-CB 3.32Å; R221-Y225 PolarHBondContact O-N 2.9Å
222	V	90.1	Very high	94.1	Very high	131 Å²	131	34 Å²	34	79%	0.794	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-38.8	-171.4	178.9	0	0	0	0	111.8	W224	V222-W224 PolarHBondContact O-N 2.78Å
223	E	91.5	Very high	94.4	Very high	134 Å²	134	33.7 Å²	33.7	63%	0.626	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-18.6	178.6	62.1	-88.3	-162.3	0	0	114.5	R221	R221-E223 HydrophobicContact CB-CG 4.42Å; R221-E223 WeakPolarHBondContact CB-OE1 3.34Å; R221-E223 WeakPolarHBondContact CD-OE1 3.28Å; R221-E223 PolarHBondContact O-N 3.43Å
224	W	94.5	Very high	94.5	Very high	38 Å²	38	33.9 Å²	33.9	14%	0.144	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-30	-177.7	-168.2	93.1	0	0	0	112.9	F109 R113 G217 Q218 S219 R221 V222 A226 F229	F109-W224 HydrophobicContact CE1-CH2 4.2Å; F109-W224 AromaticContact CE1-CZ2 3.96Å; F109-W224 HydrophobicContact CE1-CZ2 3.96Å; F109-W224 AromaticContact CZ-CH2 3.96Å; F109-W224 HydrophobicContact CZ-CH2 3.96Å; F109-W224 HydrophobicContact CZ-CZ2 4.2Å; R113-W224 PolarHBondContact NH1-O 3.34Å; G217-W224 PolarHBondContact O-NE1 2.84Å; Q218-W224 HydrophobicContact CB-CH2 3.74Å; Q218-W224 HydrophobicContact CB-CZ2 4.07Å; Q218-W224 HydrophobicContact CB-CZ3 4.34Å; Q218-W224 HydrophobicContact CG-CH2 3.82Å; Q218-W224 HydrophobicContact CG-CZ2 3.94Å; S219-W224 VanDerWaalsContact O-CZ3 3.23Å; S219-W224 WeakPolarHBondContact O-CZ3 3.28Å; R221-W224 PolarHBondContact O-N 3.08Å; V222-W224 PolarHBondContact O-N 2.78Å; W224-A226 PolarHBondContact O-N 3.38Å; W224-F229 HydrophobicContact CH2-CD1 4.49Å; W224-F229 HydrophobicContact CH2-CE1 4.49Å; W224-F229 HydrophobicContact CZ3-CD1 4.4Å; W224-F229 HydrophobicContact CZ3-CE1 4Å; W224-F229 HydrophobicContact CZ3-CZ 4.36Å
225	Y	97.1	Very high	94.5	Very high	40 Å²	40	34.8 Å²	34.8	16%	0.157	18%	0.183	C	C	.	.			trans	-71	118.8	-166.9	179.6	-106.9	0	0	0	113.6	L117 L122 R149 F220 R221 F229 D246	L117-Y225 VanDerWaalsContact CD2-O 3.29Å; L117-Y225 WeakPolarHBondContact CD2-O 3.45Å; L122-Y225 HydrophobicContact CD1-CE1 4.18Å; L122-Y225 HydrophobicContact CD2-CD1 4.02Å; L122-Y225 HydrophobicContact CD2-CE1 3.49Å; L122-Y225 VanDerWaalsContact CD2-CE1 3.49Å; R149-Y225 WeakPolarHBondContact CD-OH 3.49Å; F220-Y225 AromaticContact CD1-CD2 3.75Å; F220-Y225 HydrophobicContact CD1-CD2 3.75Å; F220-Y225 AromaticContact CD1-CE2 3.63Å; F220-Y225 HydrophobicContact CD1-CE2 3.63Å; F220-Y225 HydrophobicContact CE1-CD2 4.42Å; F220-Y225 AromaticContact CE1-CE2 3.96Å; F220-Y225 HydrophobicContact CE1-CE2 3.96Å; R221-Y225 VanDerWaalsContact O-CB 3.28Å; R221-Y225 WeakPolarHBondContact O-CB 3.32Å; R221-Y225 PolarHBondContact O-N 2.9Å; Y225-F229 HydrophobicContact CE2-CE2 4.41Å; Y225-D246 WeakPolarHBondContact CE2-OD2 3.24Å; Y225-D246 VanDerWaalsContact CZ-OD2 3.26Å; Y225-D246 PolarHBondContact OH-OD1 2.91Å; Y225-D246 PolarHBondContact OH-OD2 3.46Å
226	A	97.3	Very high	94.5	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.008	19%	0.189	C	C	.	.	S	Bend	trans	-126.9	17.9	171.6	0	0	0	0	0	112.6	R113 L116 L117 F123 W224 I228	R113-A226 HydrophobicContact CG-CB 3.89Å; L116-A226 HydrophobicContact CB-CB 3.85Å; L116-A226 HydrophobicContact CD1-CB 4.3Å; L117-A226 HydrophobicContact CD2-CB 4.13Å; L117-A226 HydrophobicContact CG-CB 4.16Å; F123-A226 PolarHBondContact N-O 2.84Å; W224-A226 PolarHBondContact O-N 3.38Å; A226-I228 VanDerWaalsContact C-N 3.26Å; A226-I228 HydrophobicContact CB-CG2 4.23Å; A226-I228 PolarHBondContact O-N 3.46Å
227	G	97.6	Very high	94.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	67	20.1	-177.8	0	0	0	0	0	115	D245 D246	G227-D245 WeakPolarHBondContact O-CA 3.18Å; G227-D245 WeakPolarHBondContact O-CB 3.45Å; G227-D246 PolarHBondContact O-N 3.24Å
228	I	98.3	Very high	94.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	139.4	-178.9	-166.9	175.6	0	0	0	111.5	F109 I112 R113 L116 F123 A226 I244	F109-I228 HydrophobicContact CD2-CD1 4.27Å; F109-I228 HydrophobicContact CD2-CG1 4.43Å; F109-I228 HydrophobicContact CE2-CB 4.44Å; F109-I228 HydrophobicContact CE2-CD1 4.09Å; F109-I228 HydrophobicContact CE2-CG1 3.8Å; F109-I228 HydrophobicContact CE2-CG2 4.12Å; F109-I228 HydrophobicContact CZ-CG2 4.02Å; I112-I228 HydrophobicContact CB-CD1 4.47Å; I112-I228 HydrophobicContact CG2-CD1 3.75Å; R113-I228 HydrophobicContact CB-CG2 4.07Å; R113-I228 HydrophobicContact CG-CG2 3.9Å; L116-I228 HydrophobicContact CD1-CG2 4.34Å; F123-I228 HydrophobicContact CB-CB 3.68Å; F123-I228 HydrophobicContact CB-CG1 4.27Å; F123-I228 HydrophobicContact CD1-CB 3.85Å; F123-I228 HydrophobicContact CD1-CD1 3.82Å; F123-I228 HydrophobicContact CD1-CG1 3.52Å; F123-I228 HydrophobicContact CD2-CD1 3.99Å; F123-I228 HydrophobicContact CD2-CG1 4.5Å; F123-I228 HydrophobicContact CE1-CD1 3.96Å; F123-I228 HydrophobicContact CE1-CG1 3.93Å; F123-I228 HydrophobicContact CE2-CD1 4.1Å; F123-I228 HydrophobicContact CG-CB 3.86Å; F123-I228 HydrophobicContact CG-CD1 3.85Å; F123-I228 HydrophobicContact CG-CG1 3.86Å; F123-I228 HydrophobicContact CZ-CD1 4.1Å; A226-I228 VanDerWaalsContact C-N 3.26Å; A226-I228 HydrophobicContact CB-CG2 4.23Å; A226-I228 PolarHBondContact O-N 3.46Å; I228-I244 WeakPolarHBondContact CA-O 3.34Å
229	F	98.3	Very high	94.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	154.9	177.6	-67.7	-91	0	0	0	111.1	F175 Q218 F220 W224 Y225 F231 Y243 I244 D246 L271	F175-F229 HydrophobicContact CB-CE1 4.45Å; F175-F229 AromaticContact CD2-CD1 3.69Å; F175-F229 HydrophobicContact CD2-CD1 3.69Å; F175-F229 AromaticContact CD2-CE1 3.53Å; F175-F229 HydrophobicContact CD2-CE1 3.53Å; F175-F229 HydrophobicContact CD2-CZ 4.45Å; F175-F229 AromaticContact CE2-CD1 3.6Å; F175-F229 HydrophobicContact CE2-CD1 3.6Å; F175-F229 AromaticContact CE2-CE1 3.97Å; F175-F229 HydrophobicContact CE2-CE1 3.97Å; F175-F229 HydrophobicContact CE2-CG 4.42Å; F175-F229 HydrophobicContact CG-CD1 4.45Å; F175-F229 HydrophobicContact CG-CE1 4.08Å; F175-F229 HydrophobicContact CZ-CD1 4.3Å; Q218-F229 HydrophobicContact CB-CD1 4.09Å; Q218-F229 HydrophobicContact CB-CE1 4.28Å; F220-F229 HydrophobicContact CD1-CE2 4.39Å; F220-F229 AromaticContact CD1-CZ 3.86Å; F220-F229 HydrophobicContact CD1-CZ 3.86Å; F220-F229 HydrophobicContact CD2-CZ 4.45Å; F220-F229 AromaticContact CE1-CE2 3.65Å; F220-F229 HydrophobicContact CE1-CE2 3.65Å; F220-F229 AromaticContact CE1-CZ 3.4Å; F220-F229 HydrophobicContact CE1-CZ 3.4Å; F220-F229 VanDerWaalsContact CE1-CZ 3.4Å; F220-F229 HydrophobicContact CE2-CZ 4.09Å; F220-F229 HydrophobicContact CG-CZ 4.35Å; F220-F229 HydrophobicContact CZ-CE1 4.33Å; F220-F229 AromaticContact CZ-CE2 3.94Å; F220-F229 HydrophobicContact CZ-CE2 3.94Å; F220-F229 AromaticContact CZ-CZ 3.53Å; F220-F229 HydrophobicContact CZ-CZ 3.53Å; W224-F229 HydrophobicContact CH2-CD1 4.49Å; W224-F229 HydrophobicContact CH2-CE1 4.49Å; W224-F229 HydrophobicContact CZ3-CD1 4.4Å; W224-F229 HydrophobicContact CZ3-CE1 4Å; W224-F229 HydrophobicContact CZ3-CZ 4.36Å; Y225-F229 HydrophobicContact CE2-CE2 4.41Å; F229-F231 HydrophobicContact CB-CE2 4.17Å; F229-Y243 CarbonylContact O-C 3.55Å; F229-Y243 WeakPolarHBondContact O-CA 3.22Å; F229-I244 HydrophobicContact CB-CG1 4.24Å; F229-I244 PolarHBondContact N-O 3.04Å; F229-I244 PolarHBondContact O-N 3.39Å; F229-D246 HydrophobicContact CD2-CB 3.95Å; F229-D246 HydrophobicContact CE2-CB 3.75Å; F229-L271 HydrophobicContact CD1-CD1 4.23Å; F229-L271 HydrophobicContact CD2-CD1 4.03Å; F229-L271 HydrophobicContact CD2-CD2 4.44Å; F229-L271 HydrophobicContact CE1-CD1 4.39Å; F229-L271 HydrophobicContact CE2-CD1 4.21Å; F229-L271 HydrophobicContact CG-CD1 4.06Å; F229-L271 HydrophobicContact CZ-CD1 4.38Å
230	A	97.4	Very high	94.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	140.9	179.6	0	0	0	0	0	111.6	P105 F109 P215 Q218 E241 V242 Y243	P105-A230 HydrophobicContact CB-CB 4.24Å; P105-A230 HydrophobicContact CG-CB 4.42Å; F109-A230 HydrophobicContact CD2-CB 3.62Å; F109-A230 HydrophobicContact CE2-CB 3.65Å; F109-A230 HydrophobicContact CG-CB 4.25Å; F109-A230 HydrophobicContact CZ-CB 4.34Å; P215-A230 VanDerWaalsContact CD-O 3.29Å; P215-A230 WeakPolarHBondContact CD-O 3.47Å; P215-A230 HydrophobicContact CG-CB 4.34Å; Q218-A230 PolarHBondContact NE2-O 2.88Å; Q218-A230 PolarHBondContact OE1-O 3.44Å; A230-E241 HydrophobicContact CB-CG 4.18Å; A230-V242 WeakPolarHBondContact CA-O 3.34Å; A230-Y243 HydrophobicContact CB-CD1 4.03Å; A230-Y243 HydrophobicContact CB-CE1 4.35Å
231	F	97	Very high	94.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	158.3	171.3	-65.1	-87.9	0	0	0	109.8	F175 T213 I214 F229 F233 E241 V242 I244 L271 L272 A275	F175-F231 AromaticContact CE2-CZ 3.9Å; F175-F231 HydrophobicContact CE2-CZ 3.9Å; F175-F231 HydrophobicContact CZ-CE1 4.07Å; F175-F231 AromaticContact CZ-CZ 3.84Å; F175-F231 HydrophobicContact CZ-CZ 3.84Å; T213-F231 CarbonylContact O-C 3.51Å; T213-F231 WeakPolarHBondContact O-CA 3.5Å; I214-F231 HydrophobicContact CD1-CE1 4.45Å; I214-F231 HydrophobicContact CG1-CD1 4.11Å; I214-F231 HydrophobicContact CG1-CE1 4.09Å; I214-F231 HydrophobicContact CG2-CE1 4.3Å; F229-F231 HydrophobicContact CB-CE2 4.17Å; F231-F233 HydrophobicContact CB-CE2 3.78Å; F231-F233 HydrophobicContact CB-CZ 3.93Å; F231-E241 CarbonylContact O-C 3.54Å; F231-E241 WeakPolarHBondContact O-CA 3.45Å; F231-V242 PolarHBondContact N-O 3.36Å; F231-V242 PolarHBondContact O-N 2.84Å; F231-I244 HydrophobicContact CD2-CD1 4.34Å; F231-I244 HydrophobicContact CD2-CG1 4.47Å; F231-I244 HydrophobicContact CE2-CD1 3.95Å; F231-I244 HydrophobicContact CE2-CG1 4.34Å; F231-L271 HydrophobicContact CE2-CB 3.8Å; F231-L271 HydrophobicContact CZ-CB 3.64Å; F231-L272 HydrophobicContact CD1-CB 3.88Å; F231-L272 HydrophobicContact CD1-CD1 4.12Å; F231-L272 HydrophobicContact CD1-CG 3.84Å; F231-L272 HydrophobicContact CE1-CB 3.56Å; F231-L272 HydrophobicContact CE1-CD1 4.24Å; F231-L272 HydrophobicContact CE1-CG 4.03Å; F231-L272 HydrophobicContact CZ-CB 4.07Å; F231-A275 HydrophobicContact CB-CB 3.88Å; F231-A275 HydrophobicContact CD2-CB 3.44Å; F231-A275 VanDerWaalsContact CD2-CB 3.44Å; F231-A275 HydrophobicContact CE2-CB 4.27Å; F231-A275 HydrophobicContact CG-CB 3.88Å
232	R	95.7	Very high	94.9	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.015	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.6	-178.1	-66.3	166.9	179.9	167.9	-2.3	109.7	F99 G103 G104 R212 T213 P215 W239 E240 E241	F99-R232 HydrophobicContact CE1-CG 4.04Å; F99-R232 HydrophobicContact CZ-CG 4.28Å; F99-R232 VanDerWaalsContact CZ-NE 3.26Å; G103-R232 PolarHBondContact O-NH1 2.96Å; G104-R232 PolarHBondContact O-NH2 3.48Å; R212-R232 WeakPolarHBondContact O-CB 3.28Å; R212-R232 VanDerWaalsContact O-CD 3.25Å; R212-R232 WeakPolarHBondContact O-CD 3.36Å; T213-R232 WeakPolarHBondContact CA-O 3.36Å; T213-R232 WeakPolarHBondContact CG2-O 3.4Å; T213-R232 PolarHBondContact O-N 3.42Å; P215-R232 HydrophobicContact CG-CG 4.27Å; R232-W239 HydrophobicContact CB-CE3 4.1Å; R232-W239 HydrophobicContact CB-CZ3 4.48Å; R232-E240 WeakPolarHBondContact CA-O 3.42Å; R232-E241 HydrophobicContact CG-CB 4.33Å; R232-E241 HydrophobicContact CG-CG 3.97Å; R232-E241 IonicContact CZ-OE1 2.62Å; R232-E241 IonicContact NE-OE1 3.28Å; R232-E241 PolarHBondContact NE-OE1 3.27Å; R232-E241 IonicContact NH2-OE1 3.74Å; R232-E241 PolarHBondContact NH2-OE1 3.11Å
233	F	95.3	Very high	95.3	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	137.5	176.7	-57.2	-77.6	0	0	0	109.7	T213 F231 R235 E240 V242 L272 A275 Y276 L279 D297 L298	T213-F233 HydrophobicContact CG2-CE1 4.27Å; F231-F233 HydrophobicContact CB-CE2 3.78Å; F231-F233 HydrophobicContact CB-CZ 3.93Å; F233-R235 HydrophobicContact CB-CG 4.45Å; F233-E240 PolarHBondContact N-O 3.42Å; F233-E240 PolarHBondContact O-N 3.13Å; F233-V242 HydrophobicContact CD2-CB 4.34Å; F233-V242 HydrophobicContact CD2-CG2 3.77Å; F233-V242 HydrophobicContact CE2-CB 4.23Å; F233-V242 HydrophobicContact CE2-CG2 4.11Å; F233-L272 HydrophobicContact CE1-CD2 4.15Å; F233-L272 HydrophobicContact CZ-CD2 4.33Å; F233-L272 HydrophobicContact CZ-CG 4.43Å; F233-A275 HydrophobicContact CE2-CB 3.85Å; F233-A275 HydrophobicContact CZ-CB 4.06Å; F233-Y276 AromaticContact CD1-CD2 3.65Å; F233-Y276 HydrophobicContact CD1-CD2 3.65Å; F233-Y276 HydrophobicContact CD1-CE2 4.18Å; F233-Y276 AromaticContact CE1-CD2 3.57Å; F233-Y276 HydrophobicContact CE1-CD2 3.57Å; F233-Y276 HydrophobicContact CE1-CE2 4.45Å; F233-Y276 HydrophobicContact CE1-CG 4.14Å; F233-Y276 HydrophobicContact CG-CD2 4.19Å; F233-Y276 HydrophobicContact CZ-CD2 4.03Å; F233-Y276 HydrophobicContact CZ-CG 4.39Å; F233-L279 HydrophobicContact CB-CD2 3.55Å; F233-L279 HydrophobicContact CD2-CD2 3.68Å; F233-L279 HydrophobicContact CG-CD2 3.7Å; F233-D297 CarbonylContact C-O 3.54Å; F233-D297 WeakPolarHBondContact CA-O 3.24Å; F233-L298 HydrophobicContact CD1-CD2 3.95Å; F233-L298 HydrophobicContact CE1-CD2 3.75Å
234	W	94.4	Very high	95.6	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.015	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	124.8	170.4	-174.1	97.1	0	0	0	108.9	R238 W239 D297 G300 M521 L603 R605	W234-R238 CarbonylContact C-O 3.6Å; W234-R238 WeakPolarHBondContact CA-O 3.29Å; W234-W239 HydrophobicContact CB-CD2 4.14Å; W234-W239 HydrophobicContact CB-CE3 4.09Å; W234-W239 HydrophobicContact CB-CH2 3.89Å; W234-W239 HydrophobicContact CB-CZ2 3.9Å; W234-W239 HydrophobicContact CB-CZ3 4Å; W234-W239 AromaticContact CD1-CE2 3.83Å; W234-W239 AromaticContact CD1-NE1 3.8Å; W234-W239 HydrophobicContact CG-CZ2 4.4Å; W234-D297 PolarHBondContact N-O 3.29Å; W234-D297 WeakPolarHBondContact O-CA 3.25Å; W234-G300 VanDerWaalsContact CD1-CA 3.45Å; W234-M521 HydrophobicContact CH2-CE 4.01Å; W234-M521 HydrophobicContact CH2-SD 3.88Å; W234-M521 HydrophobicContact CZ3-CE 3.74Å; W234-M521 HydrophobicContact CZ3-SD 3.68Å; W234-L603 HydrophobicContact CH2-CD2 3.69Å; W234-L603 HydrophobicContact CZ2-CD2 3.84Å; W234-R605 VanDerWaalsContact CH2-NH1 3.27Å
235	R	92.5	Very high	95.8	Very high	25 Å²	25	20.8 Å²	20.8	9%	0.094	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	108.1	-178.5	-61.1	-58.5	-74.1	170.4	-6.6	109	F233 G237 R238 E240 L279 D297 D524	F233-R235 HydrophobicContact CB-CG 4.45Å; R235-G237 VanDerWaalsContact C-N 3.29Å; R235-G237 PolarHBondContact O-N 3.12Å; R235-R238 PolarHBondContact N-O 3.21Å; R235-R238 WeakPolarHBondContact O-CG 3.48Å; R235-R238 PolarHBondContact O-N 3.33Å; R235-R238 VanDerWaalsContact O-N 3.1Å; R235-E240 HydrophobicContact CB-CG 4.18Å; R235-E240 HydrophobicContact CG-CB 4.44Å; R235-E240 HydrophobicContact CG-CG 4.27Å; R235-L279 HydrophobicContact CG-CD1 4.43Å; R235-L279 HydrophobicContact CG-CD2 4.01Å; R235-D297 VanDerWaalsContact NH1-CG 3.33Å; R235-D297 IonicContact NH1-OD1 3.25Å; R235-D297 PolarHBondContact NH1-OD1 2.91Å; R235-D297 VanDerWaalsContact NH1-OD1 3.07Å; R235-D297 IonicContact NH1-OD2 3.61Å; R235-D297 PolarHBondContact NH1-OD2 2.87Å; R235-D524 IonicContact CZ-OD2 3.73Å; R235-D524 VanDerWaalsContact CZ-OD2 3.26Å; R235-D524 IonicContact NH1-OD2 2.81Å; R235-D524 PolarHBondContact NH1-OD2 2.82Å; R235-D524 IonicContact NH2-OD2 3.46Å; R235-D524 PolarHBondContact NH2-OD2 3.43Å
236	F	92.2	Very high	95.8	Very high	29 Å²	29	18.9 Å²	18.9	13%	0.127	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	50.5	168.4	-160.9	-116.1	0	0	0	112.2	R473 M521 Q522 A523 E601 F602 L603	F236-R473 PolarHBondContact O-NH1 3.4Å; F236-R473 VanDerWaalsContact O-NH1 3.1Å; F236-R473 PolarHBondContact O-NH2 3.1Å; F236-M521 HydrophobicContact CD2-CG 3.91Å; F236-M521 HydrophobicContact CD2-SD 3.94Å; F236-M521 HydrophobicContact CE2-CB 4.42Å; F236-M521 HydrophobicContact CE2-CG 4.1Å; F236-M521 WeakPolarHBondContact CE2-O 3.33Å; F236-Q522 VanDerWaalsContact CE2-C 3.47Å; F236-A523 HydrophobicContact CE1-CB 4.46Å; F236-A523 HydrophobicContact CE2-CB 4.45Å; F236-A523 HydrophobicContact CZ-CB 4.3Å; F236-E601 HydrophobicContact CE1-CB 4.06Å; F236-E601 HydrophobicContact CZ-CB 4.11Å; F236-F602 VanDerWaalsContact CZ-CA 3.49Å; F236-L603 HydrophobicContact CD2-CB 4.04Å; F236-L603 HydrophobicContact CE2-CB 3.7Å; F236-L603 HydrophobicContact CZ-CB 4.02Å
237	G	91.5	Very high	95.8	Very high	29 Å²	29	21.3 Å²	21.3	30%	0.299	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	15	177.4	0	0	0	0	0	115.7	R235 R473	R235-G237 VanDerWaalsContact C-N 3.29Å; R235-G237 PolarHBondContact O-N 3.12Å; G237-R473 VanDerWaalsContact C-NH2 3.35Å; G237-R473 PolarHBondContact O-NH2 2.66Å
238	R	91.8	Very high	95.8	Very high	129 Å²	129	21.3 Å²	21.3	49%	0.487	10%	0.096	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	148.5	174.8	57.6	173.7	-172.5	-156.6	3.2	111.4	W234 R235 E240	W234-R238 CarbonylContact C-O 3.6Å; W234-R238 WeakPolarHBondContact CA-O 3.29Å; R235-R238 PolarHBondContact N-O 3.21Å; R235-R238 WeakPolarHBondContact O-CG 3.48Å; R235-R238 PolarHBondContact O-N 3.33Å; R235-R238 VanDerWaalsContact O-N 3.1Å; R238-E240 HydrophobicContact CG-CG 4.42Å; R238-E240 IonicContact CZ-OE1 3.35Å; R238-E240 IonicContact NE-OE1 3.53Å; R238-E240 PolarHBondContact NE-OE1 2.9Å; R238-E240 IonicContact NH2-OE1 2.78Å; R238-E240 PolarHBondContact NH2-OE1 3.46Å
239	W	92.6	Very high	95.7	Very high	25 Å²	25	21.5 Å²	21.5	10%	0.095	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	129	170.9	-72.1	96.9	0	0	0	110.3	F99 P101 R212 R232 W234 L298 T299	F99-W239 HydrophobicContact CD1-CB 3.84Å; F99-W239 HydrophobicContact CE1-CB 4.33Å; P101-W239 HydrophobicContact CB-CD2 4.11Å; P101-W239 HydrophobicContact CB-CE3 4.44Å; P101-W239 HydrophobicContact CB-CG 4.1Å; P101-W239 HydrophobicContact CG-CD2 3.99Å; P101-W239 HydrophobicContact CG-CG 3.9Å; R212-W239 HydrophobicContact CG-CH2 3.71Å; R212-W239 HydrophobicContact CG-CZ2 3.82Å; R212-W239 HydrophobicContact CG-CZ3 4.1Å; R232-W239 HydrophobicContact CB-CE3 4.1Å; R232-W239 HydrophobicContact CB-CZ3 4.48Å; W234-W239 HydrophobicContact CB-CD2 4.14Å; W234-W239 HydrophobicContact CB-CE3 4.09Å; W234-W239 HydrophobicContact CB-CH2 3.89Å; W234-W239 HydrophobicContact CB-CZ2 3.9Å; W234-W239 HydrophobicContact CB-CZ3 4Å; W234-W239 AromaticContact CD1-CE2 3.83Å; W234-W239 AromaticContact CD1-NE1 3.8Å; W234-W239 HydrophobicContact CG-CZ2 4.4Å; W239-L298 WeakPolarHBondContact CH2-O 3.46Å; W239-T299 WeakPolarHBondContact CZ2-O 3.41Å
240	E	94.4	Very high	95.5	Very high	52 Å²	52	21.5 Å²	21.5	24%	0.243	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127.1	176.2	-65.1	-173.6	-168.4	0	0	109.6	R232 F233 R235 R238	R232-E240 WeakPolarHBondContact CA-O 3.42Å; F233-E240 PolarHBondContact N-O 3.42Å; F233-E240 PolarHBondContact O-N 3.13Å; R235-E240 HydrophobicContact CB-CG 4.18Å; R235-E240 HydrophobicContact CG-CB 4.44Å; R235-E240 HydrophobicContact CG-CG 4.27Å; R238-E240 HydrophobicContact CG-CG 4.42Å; R238-E240 IonicContact CZ-OE1 3.35Å; R238-E240 IonicContact NE-OE1 3.53Å; R238-E240 PolarHBondContact NE-OE1 2.9Å; R238-E240 IonicContact NH2-OE1 2.78Å; R238-E240 PolarHBondContact NH2-OE1 3.46Å
241	E	96.1	Very high	95.1	Very high	36 Å²	36	24.5 Å²	24.5	17%	0.168	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	123.8	175.3	-159.1	174.1	-113.9	0	0	109.8	F99 S106 A230 F231 R232 Y243	F99-E241 HydrophobicContact CZ-CB 4.19Å; F99-E241 HydrophobicContact CZ-CG 4.44Å; S106-E241 WeakPolarHBondContact CB-OE2 3.36Å; S106-E241 PolarHBondContact N-OE1 3.05Å; S106-E241 PolarHBondContact N-OE2 3.28Å; S106-E241 PolarHBondContact OG-OE2 3.45Å; A230-E241 HydrophobicContact CB-CG 4.18Å; F231-E241 CarbonylContact O-C 3.54Å; F231-E241 WeakPolarHBondContact O-CA 3.45Å; R232-E241 HydrophobicContact CG-CB 4.33Å; R232-E241 HydrophobicContact CG-CG 3.97Å; R232-E241 IonicContact CZ-OE1 2.62Å; R232-E241 IonicContact NE-OE1 3.28Å; R232-E241 PolarHBondContact NE-OE1 3.27Å; R232-E241 IonicContact NH2-OE1 3.74Å; R232-E241 PolarHBondContact NH2-OE1 3.11Å; E241-Y243 HydrophobicContact CB-CE1 4.26Å; E241-Y243 HydrophobicContact CG-CD1 4.42Å; E241-Y243 HydrophobicContact CG-CE1 3.78Å; E241-Y243 WeakPolarHBondContact OE2-CE1 3.36Å; E241-Y243 PolarHBondContact OE2-OH 3.15Å
242	V	97.4	Very high	94.4	Very high	14 Å²	14	28 Å²	28	9%	0.085	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.4	-175.9	-178.9	0	0	0	0	109.1	A230 F231 F233 I244 A275 K278 L279	A230-V242 WeakPolarHBondContact CA-O 3.34Å; F231-V242 PolarHBondContact N-O 3.36Å; F231-V242 PolarHBondContact O-N 2.84Å; F233-V242 HydrophobicContact CD2-CB 4.34Å; F233-V242 HydrophobicContact CD2-CG2 3.77Å; F233-V242 HydrophobicContact CE2-CB 4.23Å; F233-V242 HydrophobicContact CE2-CG2 4.11Å; V242-I244 HydrophobicContact CG1-CG2 4.37Å; V242-A275 HydrophobicContact CB-CB 4.47Å; V242-A275 HydrophobicContact CG1-CB 4.13Å; V242-K278 HydrophobicContact CG1-CB 4.46Å; V242-K278 HydrophobicContact CG1-CD 3.89Å; V242-K278 HydrophobicContact CG1-CG 4.22Å; V242-L279 HydrophobicContact CG2-CB 4.35Å; V242-L279 HydrophobicContact CG2-CD1 3.95Å
243	Y	97.6	Very high	93.8	Very high	48 Å²	48	30.6 Å²	30.6	19%	0.188	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	139.9	175	-47.8	-26.3	0	0	0	109.8	S106 F109 I112 F229 A230 E241 K278	S106-Y243 PolarHBondContact OG-OH 3.18Å; F109-Y243 HydrophobicContact CB-CD1 4.42Å; F109-Y243 HydrophobicContact CB-CE1 3.78Å; F109-Y243 AromaticContact CD2-CD1 3.72Å; F109-Y243 HydrophobicContact CD2-CD1 3.72Å; F109-Y243 AromaticContact CD2-CE1 3.94Å; F109-Y243 HydrophobicContact CD2-CE1 3.94Å; F109-Y243 HydrophobicContact CD2-CG 4.21Å; F109-Y243 HydrophobicContact CG-CE1 4.35Å; F109-Y243 PolarHBondContact N-OH 3.03Å; I112-Y243 HydrophobicContact CD1-CD2 4.11Å; I112-Y243 HydrophobicContact CD1-CE2 3.96Å; F229-Y243 CarbonylContact O-C 3.55Å; F229-Y243 WeakPolarHBondContact O-CA 3.22Å; A230-Y243 HydrophobicContact CB-CD1 4.03Å; A230-Y243 HydrophobicContact CB-CE1 4.35Å; E241-Y243 HydrophobicContact CB-CE1 4.26Å; E241-Y243 HydrophobicContact CG-CD1 4.42Å; E241-Y243 HydrophobicContact CG-CE1 3.78Å; E241-Y243 WeakPolarHBondContact OE2-CE1 3.36Å; E241-Y243 PolarHBondContact OE2-OH 3.15Å; Y243-K278 WeakPolarHBondContact O-CD 3.31Å; Y243-K278 PolarHBondContact O-NZ 3.17Å
244	I	98.6	Very high	93.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	155.4	173.4	56.5	164.1	0	0	0	109.7	I228 F229 F231 V242 L271 K274 A275 K278	I228-I244 WeakPolarHBondContact CA-O 3.34Å; F229-I244 HydrophobicContact CB-CG1 4.24Å; F229-I244 PolarHBondContact N-O 3.04Å; F229-I244 PolarHBondContact O-N 3.39Å; F231-I244 HydrophobicContact CD2-CD1 4.34Å; F231-I244 HydrophobicContact CD2-CG1 4.47Å; F231-I244 HydrophobicContact CE2-CD1 3.95Å; F231-I244 HydrophobicContact CE2-CG1 4.34Å; V242-I244 HydrophobicContact CG1-CG2 4.37Å; I244-L271 HydrophobicContact CD1-CB 4.09Å; I244-L271 HydrophobicContact CD1-CD2 3.93Å; I244-L271 WeakPolarHBondContact CD1-O 3.18Å; I244-K274 HydrophobicContact CD1-CB 3.98Å; I244-K274 HydrophobicContact CD1-CD 4.09Å; I244-K274 HydrophobicContact CD1-CG 4.14Å; I244-K274 HydrophobicContact CG2-CG 4.45Å; I244-A275 HydrophobicContact CD1-CB 4.15Å; I244-A275 HydrophobicContact CG1-CB 4.43Å; I244-A275 HydrophobicContact CG2-CB 3.92Å; I244-K278 HydrophobicContact CG2-CB 4.4Å; I244-K278 HydrophobicContact CG2-CD 3.81Å
245	D	98.3	Very high	93.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	168.3	156.5	68.9	56.6	0	0	0	111.4	F123 D125 G227 R247 K274	F123-D245 HydrophobicContact CB-CB 4.48Å; F123-D245 HydrophobicContact CD1-CB 3.71Å; F123-D245 HydrophobicContact CE1-CB 4.45Å; F123-D245 HydrophobicContact CG-CB 4.49Å; F123-D245 WeakPolarHBondContact O-CB 3.39Å; D125-D245 HydrophobicContact CB-CB 4.38Å; D125-D245 VanDerWaalsContact CB-OD2 3.23Å; D125-D245 WeakPolarHBondContact CB-OD2 3.25Å; D125-D245 PolarHBondContact N-OD2 2.91Å; G227-D245 WeakPolarHBondContact O-CA 3.18Å; G227-D245 WeakPolarHBondContact O-CB 3.45Å; D245-R247 VanDerWaalsContact CG-NE 3.3Å; D245-R247 VanDerWaalsContact OD1-CB 3.25Å; D245-R247 WeakPolarHBondContact OD1-CB 3.39Å; D245-R247 PolarHBondContact OD1-N 3.32Å; D245-R247 IonicContact OD1-NE 2.75Å; D245-R247 PolarHBondContact OD1-NE 3.33Å; D245-R247 IonicContact OD2-CZ 2.78Å; D245-R247 IonicContact OD2-NE 3.19Å; D245-R247 PolarHBondContact OD2-NE 3.38Å; D245-R247 IonicContact OD2-NH2 3Å; D245-R247 PolarHBondContact OD2-NH2 2.93Å; D245-K274 PolarHBondContact O-NZ 3.4Å; D245-K274 IonicContact OD1-NZ 2.63Å; D245-K274 PolarHBondContact OD1-NZ 3.3Å
246	D	98	Very high	92.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-93.7	14.3	-179.1	69.5	-10.4	0	0	0	114.7	R149 P150 F220 Y225 G227 F229 L248 L271	R149-D246 VanDerWaalsContact CD-OD1 3.29Å; R149-D246 WeakPolarHBondContact CD-OD1 3.27Å; R149-D246 WeakPolarHBondContact CG-OD1 3.31Å; R149-D246 IonicContact CZ-OD1 3.23Å; R149-D246 IonicContact NE-OD1 2.62Å; R149-D246 IonicContact NH1-OD1 3.03Å; R149-D246 PolarHBondContact NH1-OD1 3.2Å; P150-D246 VanDerWaalsContact CD-CG 3.47Å; P150-D246 WeakPolarHBondContact CD-O 3.21Å; P150-D246 VanDerWaalsContact CD-OD2 3.24Å; P150-D246 WeakPolarHBondContact CD-OD2 3.38Å; P150-D246 HydrophobicContact CG-CB 4.07Å; F220-D246 HydrophobicContact CE1-CB 4.5Å; Y225-D246 WeakPolarHBondContact CE2-OD2 3.24Å; Y225-D246 VanDerWaalsContact CZ-OD2 3.26Å; Y225-D246 PolarHBondContact OH-OD1 2.91Å; Y225-D246 PolarHBondContact OH-OD2 3.46Å; G227-D246 PolarHBondContact O-N 3.24Å; F229-D246 HydrophobicContact CD2-CB 3.95Å; F229-D246 HydrophobicContact CE2-CB 3.75Å; D246-L248 WeakPolarHBondContact O-CG 3.41Å; D246-L248 PolarHBondContact O-N 2.95Å; D246-L271 HydrophobicContact CB-CD2 3.86Å
247	R	97.9	Very high	92.7	Very high	52 Å²	52	33.8 Å²	33.8	20%	0.196	18%	0.181	C	C	.	.			trans	-70.3	122.2	172	-61.5	174.7	-71.3	-177.9	2	109	A130 W147 M148 R149 D245 K274	A130-R247 HydrophobicContact CB-CB 4.24Å; W147-R247 HydrophobicContact CB-CB 4.42Å; W147-R247 HydrophobicContact CE3-CB 4.13Å; W147-R247 VanDerWaalsContact CE3-O 3.25Å; W147-R247 WeakPolarHBondContact CZ3-O 3.34Å; M148-R247 CarbonylContact O-C 3.56Å; R149-R247 HydrophobicContact CG-CG 3.94Å; D245-R247 VanDerWaalsContact CG-NE 3.3Å; D245-R247 VanDerWaalsContact OD1-CB 3.25Å; D245-R247 WeakPolarHBondContact OD1-CB 3.39Å; D245-R247 PolarHBondContact OD1-N 3.32Å; D245-R247 IonicContact OD1-NE 2.75Å; D245-R247 PolarHBondContact OD1-NE 3.33Å; D245-R247 IonicContact OD2-CZ 2.78Å; D245-R247 IonicContact OD2-NE 3.19Å; D245-R247 PolarHBondContact OD2-NE 3.38Å; D245-R247 IonicContact OD2-NH2 3Å; D245-R247 PolarHBondContact OD2-NH2 2.93Å; R247-K274 WeakPolarHBondContact O-CE 3.49Å; R247-K274 PolarHBondContact O-NZ 3.04Å
248	L	96.9	Very high	92.5	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	141.1	-175.1	-62.8	173.7	0	0	0	110.7	W147 M148 P150 I153 D246 V250 F267 T270 L271 K274	W147-L248 WeakPolarHBondContact CA-O 3.49Å; M148-L248 PolarHBondContact N-O 3.28Å; M148-L248 PolarHBondContact O-N 3.34Å; P150-L248 HydrophobicContact CG-CD1 4.37Å; I153-L248 HydrophobicContact CD1-CB 4.09Å; I153-L248 HydrophobicContact CD1-CD1 4.06Å; D246-L248 WeakPolarHBondContact O-CG 3.41Å; D246-L248 PolarHBondContact O-N 2.95Å; L248-V250 PolarHBondContact O-N 3.26Å; L248-F267 HydrophobicContact CD1-CD1 3.72Å; L248-F267 HydrophobicContact CD1-CE1 4.26Å; L248-T270 HydrophobicContact CB-CG2 4.5Å; L248-T270 HydrophobicContact CD1-CG2 3.73Å; L248-T270 HydrophobicContact CD2-CG2 3.77Å; L248-T270 HydrophobicContact CG-CG2 4.18Å; L248-L271 HydrophobicContact CD2-CD2 4Å; L248-K274 HydrophobicContact CD2-CD 4.08Å
249	P	95.3	Very high	92.3	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.019	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	118.7	174.9	29.1	-31.8	0	0	0	110.4	L135 I145 W147 L257 F258 Y283	L135-P249 HydrophobicContact CD2-CB 3.79Å; L135-P249 HydrophobicContact CD2-CG 4Å; I145-P249 HydrophobicContact CG2-CB 3.69Å; W147-P249 HydrophobicContact CD2-CB 4.48Å; W147-P249 HydrophobicContact CH2-CG 4.46Å; W147-P249 HydrophobicContact CZ2-CB 4.46Å; W147-P249 HydrophobicContact CZ3-CG 4.43Å; P249-L257 WeakPolarHBondContact O-CB 3.44Å; P249-L257 PolarHBondContact O-N 3.17Å; P249-L257 VanDerWaalsContact O-N 3.16Å; P249-F258 HydrophobicContact CB-CE2 4.24Å; P249-F258 HydrophobicContact CG-CD2 3.53Å; P249-F258 HydrophobicContact CG-CE2 3.52Å; P249-Y283 HydrophobicContact CG-CE2 4.04Å
250	V	94.1	Very high	92.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	156.9	179.1	-58.6	0	0	0	0	110.9	V146 M148 I153 L248 Q255	V146-V250 HydrophobicContact CB-CG2 4.32Å; V146-V250 PolarHBondContact N-O 3Å; V146-V250 WeakPolarHBondContact O-CG2 3.33Å; V146-V250 PolarHBondContact O-N 2.94Å; M148-V250 HydrophobicContact CB-CG2 3.93Å; M148-V250 HydrophobicContact CE-CG2 4.37Å; M148-V250 HydrophobicContact CG-CG2 3.66Å; M148-V250 HydrophobicContact SD-CG2 3.68Å; I153-V250 HydrophobicContact CD1-CG1 3.62Å; I153-V250 HydrophobicContact CG1-CG1 3.95Å; L248-V250 PolarHBondContact O-N 3.26Å; V250-Q255 CarbonylContact C-O 3.58Å; V250-Q255 VanDerWaalsContact CA-O 3.29Å; V250-Q255 WeakPolarHBondContact CA-O 3.3Å; V250-Q255 WeakPolarHBondContact CB-O 3.41Å
251	K	90.4	Very high	91.8	Very high	63 Å²	63	24.7 Å²	24.7	27%	0.274	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	161.6	164.2	-64.3	-177.2	179.7	177.7	0	109.8	E190 G253 G254 Q255 L257	E190-K251 WeakPolarHBondContact OE1-CE 3.2Å; E190-K251 IonicContact OE1-NZ 2.95Å; E190-K251 PolarHBondContact OE1-NZ 3.44Å; K251-G253 PolarHBondContact O-N 3.01Å; K251-G254 PolarHBondContact O-N 2.73Å; K251-Q255 PolarHBondContact N-O 2.89Å; K251-L257 HydrophobicContact CG-CD1 4.18Å
252	S	82.8	Confident	91.1	Very high	75 Å²	75	24.8 Å²	24.8	52%	0.524	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-17.7	-177.4	-46.5	0	0	0	0	115.5
253	G	82.8	Confident	90.6	Very high	58 Å²	58	26.9 Å²	26.9	60%	0.598	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	5.6	174.5	0	0	0	0	0	115.9	K251	K251-G253 PolarHBondContact O-N 3.01Å
254	G	86.1	Confident	90.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	85.2	4.9	-178.4	0	0	0	0	0	114.8	I153 K251 P256	I153-G254 WeakPolarHBondContact CG2-O 3.49Å; K251-G254 PolarHBondContact O-N 2.73Å; G254-P256 WeakPolarHBondContact O-CD 3.36Å
255	Q	87.5	Confident	89.7	Confident	104 Å²	104	29.5 Å²	29.5	49%	0.486	18%	0.179	S	C	.	.			trans	-75.2	124.7	175.2	-172.2	-178.1	8.7	0	0	110.5	V250 K251 L257	V250-Q255 CarbonylContact C-O 3.58Å; V250-Q255 VanDerWaalsContact CA-O 3.29Å; V250-Q255 WeakPolarHBondContact CA-O 3.3Å; V250-Q255 WeakPolarHBondContact CB-O 3.41Å; K251-Q255 PolarHBondContact N-O 2.89Å; Q255-L257 PolarHBondContact O-N 3.29Å
256	P	88.9	Confident	89.4	Confident	20 Å²	20	29.7 Å²	29.7	13%	0.13	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-53.8	135.8	172.3	-25.5	35.1	0	0	0	112.2	G254 H260	G254-P256 WeakPolarHBondContact O-CD 3.36Å; P256-H260 HydrophobicContact CB-CB 3.8Å; P256-H260 HydrophobicContact CG-CB 3.93Å
257	L	87.2	Confident	89.2	Confident	1 Å²	1	30 Å²	30	1%	0.005	18%	0.182	C	C	.	.	S	Bend	trans	-79.9	-33.7	179.8	-169.6	67.6	0	0	0	112.6	I145 G189 E190 P249 K251 Q255	I145-L257 HydrophobicContact CD1-CD2 3.38Å; I145-L257 HydrophobicContact CG1-CD2 3.95Å; G189-L257 CarbonylContact C-O 3.52Å; G189-L257 WeakPolarHBondContact CA-O 3.18Å; E190-L257 HydrophobicContact CG-CD1 4.26Å; E190-L257 PolarHBondContact N-O 3.2Å; E190-L257 WeakPolarHBondContact OE2-CD1 3.32Å; P249-L257 WeakPolarHBondContact O-CB 3.44Å; P249-L257 PolarHBondContact O-N 3.17Å; P249-L257 VanDerWaalsContact O-N 3.16Å; K251-L257 HydrophobicContact CG-CD1 4.18Å; Q255-L257 PolarHBondContact O-N 3.29Å
258	F	88.8	Confident	89	Confident	2 Å²	2	27.6 Å²	27.6	1%	0.009	17%	0.172	C	C	.	.	S	Bend	trans	-114.2	-155	-172.1	-55.3	-49.1	0	0	0	111.4	L135 L191 P249 H260 E273 Y283	L135-F258 HydrophobicContact CD2-CE2 3.76Å; L135-F258 HydrophobicContact CD2-CZ 4.11Å; L191-F258 HydrophobicContact CB-CD1 3.64Å; L191-F258 HydrophobicContact CB-CE1 3.9Å; L191-F258 HydrophobicContact CD1-CE1 4.38Å; L191-F258 HydrophobicContact CD2-CD1 4.34Å; L191-F258 HydrophobicContact CD2-CE1 4.4Å; L191-F258 HydrophobicContact CG-CE1 4.47Å; P249-F258 HydrophobicContact CB-CE2 4.24Å; P249-F258 HydrophobicContact CG-CD2 3.53Å; P249-F258 HydrophobicContact CG-CE2 3.52Å; F258-H260 PolarHBondContact O-CD2 2.94Å; F258-H260 PolarHBondContact O-N 3.44Å; F258-E273 WeakPolarHBondContact CB-OE1 3.31Å; F258-E273 WeakPolarHBondContact CB-OE2 3.22Å; F258-Y283 HydrophobicContact CB-CE1 4.37Å; F258-Y283 AromaticContact CD2-CD1 3.28Å; F258-Y283 HydrophobicContact CD2-CD1 3.28Å; F258-Y283 HydrophobicContact CD2-CD2 4.33Å; F258-Y283 AromaticContact CD2-CE1 3.2Å; F258-Y283 HydrophobicContact CD2-CE1 3.2Å; F258-Y283 HydrophobicContact CD2-CE2 4.26Å; F258-Y283 AromaticContact CD2-CG 3.85Å; F258-Y283 HydrophobicContact CD2-CG 3.85Å; F258-Y283 AromaticContact CD2-CZ 3.71Å; F258-Y283 AromaticContact CE2-CD1 3.29Å; F258-Y283 HydrophobicContact CE2-CD1 3.29Å; F258-Y283 AromaticContact CE2-CD2 3.74Å; F258-Y283 HydrophobicContact CE2-CD2 3.74Å; F258-Y283 AromaticContact CE2-CE1 3.62Å; F258-Y283 HydrophobicContact CE2-CE1 3.62Å; F258-Y283 HydrophobicContact CE2-CE2 4.01Å; F258-Y283 AromaticContact CE2-CG 3.33Å; F258-Y283 HydrophobicContact CE2-CG 3.33Å; F258-Y283 AromaticContact CE2-CZ 3.94Å; F258-Y283 AromaticContact CG-CD1 3.99Å; F258-Y283 HydrophobicContact CG-CD1 3.99Å; F258-Y283 HydrophobicContact CG-CE1 4.03Å; F258-Y283 HydrophobicContact CZ-CD1 4.03Å; F258-Y283 AromaticContact CZ-CG 3.92Å; F258-Y283 HydrophobicContact CZ-CG 3.92Å
259	V	87.8	Confident	88.7	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	-53.4	134.9	-177.8	161.8	0	0	0	0	112	L186 R187 V197 P269 T270 E273	L186-V259 HydrophobicContact CD2-CG1 4.16Å; R187-V259 WeakPolarHBondContact O-CA 3.37Å; V197-V259 HydrophobicContact CG2-CG2 3.37Å; V259-P269 HydrophobicContact CG1-CB 3.59Å; V259-T270 WeakPolarHBondContact O-CA 3.37Å; V259-T270 VanDerWaalsContact O-CB 3.25Å; V259-T270 WeakPolarHBondContact O-CB 3.44Å; V259-T270 VanDerWaalsContact O-CG2 3.26Å; V259-T270 WeakPolarHBondContact O-CG2 3.49Å; V259-T270 PolarHBondContact O-OG1 3.18Å; V259-E273 HydrophobicContact CB-CB 4.33Å; V259-E273 HydrophobicContact CB-CG 4.4Å; V259-E273 VanDerWaalsContact CB-OE1 3.27Å; V259-E273 WeakPolarHBondContact CB-OE1 3.29Å; V259-E273 WeakPolarHBondContact CG2-OE1 3.38Å; V259-E273 PolarHBondContact N-OE1 3.13Å; V259-E273 PolarHBondContact N-OE2 3.11Å
260	H	87.7	Confident	88.6	Confident	35 Å²	35	27.6 Å²	27.6	16%	0.162	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	162.3	176.2	67.3	89.8	0	0	0	113.2	R187 P256 F258 T270	R187-H260 VanDerWaalsContact CD-CE1 3.41Å; R187-H260 WeakPolarHBondContact CD-CE1 3.29Å; R187-H260 PolarHBondContact N-O 2.91Å; R187-H260 PolarHBondContact O-N 3.16Å; P256-H260 HydrophobicContact CB-CB 3.8Å; P256-H260 HydrophobicContact CG-CB 3.93Å; F258-H260 PolarHBondContact O-CD2 2.94Å; F258-H260 PolarHBondContact O-N 3.44Å; H260-T270 WeakPolarHBondContact CA-OG1 3.31Å
261	S	87.1	Confident	88.7	Confident	6 Å²	6	27.6 Å²	27.6	4%	0.042	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	152.2	173.2	-171.6	0	0	0	0	111	E185 R263 E266	E185-S261 WeakPolarHBondContact CB-OG 3.35Å; E185-S261 CarbonylContact O-C 3.57Å; E185-S261 VanDerWaalsContact O-C 3.23Å; E185-S261 WeakPolarHBondContact O-CA 3.49Å; S261-R263 PolarHBondContact OG-N 3.35Å; S261-R263 VanDerWaalsContact OG-N 3.15Å; S261-E266 WeakPolarHBondContact CB-O 3.33Å; S261-E266 WeakPolarHBondContact CB-OE2 3.33Å; S261-E266 PolarHBondContact OG-OE2 3.46Å
262	G	83.1	Confident	88.9	Confident	38 Å²	38	24.6 Å²	24.6	39%	0.392	16%	0.16	S	C	.	.	S	Bend	trans	-72.7	-20.5	167.7	0	0	0	0	0	111.2	E185	E185-G262 PolarHBondContact O-N 3.12Å
263	R	85.9	Confident	89.5	Confident	58 Å²	58	21 Å²	21	22%	0.219	14%	0.135	C	C	.	.	S	Bend	trans	-82	114.9	165.1	-67.8	173	73.7	157.2	1.1	108.7	E174 E178 E185 S261 T265 E266	E174-R263 IonicContact OE2-NH2 2.71Å; E174-R263 PolarHBondContact OE2-NH2 2.89Å; E178-R263 PolarHBondContact O-NH1 3.24Å; E185-R263 VanDerWaalsContact CD-CG 3.49Å; E185-R263 HydrophobicContact CG-CG 4.4Å; E185-R263 VanDerWaalsContact OE1-CD 3.25Å; E185-R263 WeakPolarHBondContact OE1-CD 3.21Å; E185-R263 WeakPolarHBondContact OE2-CD 3.31Å; E185-R263 WeakPolarHBondContact OE2-CG 3.19Å; S261-R263 PolarHBondContact OG-N 3.35Å; S261-R263 VanDerWaalsContact OG-N 3.15Å; R263-T265 PolarHBondContact O-N 3.4Å; R263-E266 HydrophobicContact CB-CB 3.92Å; R263-E266 PolarHBondContact O-N 3.02Å
264	S	86.8	Confident	90.1	Very high	81 Å²	81	18.3 Å²	18.3	57%	0.566	11%	0.106	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-11.8	-177.3	55.5	0	0	0	0	114.9
265	T	90.8	Very high	90.7	Very high	22 Å²	22	18.3 Å²	18.3	14%	0.135	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-6.8	176.9	56.1	0	0	0	0	113.7	V154 E174 R263 F267	V154-T265 HydrophobicContact CG1-CG2 4.37Å; V154-T265 HydrophobicContact CG2-CG2 4.41Å; E174-T265 WeakPolarHBondContact CA-O 3.5Å; E174-T265 PolarHBondContact N-O 3.15Å; E174-T265 VanDerWaalsContact O-O 3.12Å; R263-T265 PolarHBondContact O-N 3.4Å; T265-F267 WeakPolarHBondContact O-CD2 3.4Å; T265-F267 VanDerWaalsContact O-CE2 3.27Å; T265-F267 WeakPolarHBondContact O-CE2 3.34Å
266	E	92.6	Very high	91	Very high	5 Å²	5	13.4 Å²	13.4	2%	0.023	8%	0.083	C	C	.	.	B	Isolated β-bridge	trans	-100.1	129.4	-175.2	-174.8	-175	-119.7	0	0	112.2	E174 G177 S261 R263 W268	E174-E266 WeakPolarHBondContact O-CA 3.32Å; G177-E266 PolarHBondContact N-OE1 2.69Å; S261-E266 WeakPolarHBondContact CB-O 3.33Å; S261-E266 WeakPolarHBondContact CB-OE2 3.33Å; S261-E266 PolarHBondContact OG-OE2 3.46Å; R263-E266 HydrophobicContact CB-CB 3.92Å; R263-E266 PolarHBondContact O-N 3.02Å; E266-W268 VanDerWaalsContact CD-CD1 3.41Å; E266-W268 PolarHBondContact OE1-NE1 2.71Å; E266-W268 PolarHBondContact OE2-NE1 3.38Å
267	F	94	Very high	91.3	Very high	6 Å²	6	12.4 Å²	12.4	3%	0.026	8%	0.077	C	C	.	.			trans	-123.3	-4	-169.2	-68.2	-88.3	0	0	0	116.3	P150 I153 V154 P173 E174 F175 F220 L248 T265 P269 T270 L271	P150-F267 HydrophobicContact CB-CD1 3.87Å; P150-F267 HydrophobicContact CB-CD2 3.71Å; P150-F267 HydrophobicContact CB-CE1 3.86Å; P150-F267 HydrophobicContact CB-CE2 3.72Å; P150-F267 HydrophobicContact CB-CG 3.79Å; P150-F267 HydrophobicContact CB-CZ 3.79Å; P150-F267 HydrophobicContact CG-CB 4.5Å; P150-F267 HydrophobicContact CG-CD1 4.03Å; P150-F267 HydrophobicContact CG-CD2 4.46Å; P150-F267 HydrophobicContact CG-CE1 4.37Å; P150-F267 HydrophobicContact CG-CG 4.07Å; I153-F267 HydrophobicContact CB-CE1 4.23Å; I153-F267 HydrophobicContact CB-CZ 4.21Å; I153-F267 HydrophobicContact CD1-CE1 4.02Å; I153-F267 HydrophobicContact CG2-CE1 4Å; I153-F267 HydrophobicContact CG2-CZ 4.01Å; V154-F267 HydrophobicContact CG2-CE2 3.67Å; V154-F267 HydrophobicContact CG2-CZ 3.76Å; P173-F267 HydrophobicContact CB-CD2 3.94Å; P173-F267 HydrophobicContact CB-CE2 3.74Å; E174-F267 PolarHBondContact O-N 2.88Å; E174-F267 VanDerWaalsContact O-N 3.08Å; F175-F267 PolarHBondContact O-N 3.42Å; F220-F267 HydrophobicContact CE2-CB 4.11Å; F220-F267 HydrophobicContact CE2-CD2 4.36Å; F220-F267 HydrophobicContact CZ-CB 4.16Å; L248-F267 HydrophobicContact CD1-CD1 3.72Å; L248-F267 HydrophobicContact CD1-CE1 4.26Å; T265-F267 WeakPolarHBondContact O-CD2 3.4Å; T265-F267 VanDerWaalsContact O-CE2 3.27Å; T265-F267 WeakPolarHBondContact O-CE2 3.34Å; F267-P269 VanDerWaalsContact C-N 3.32Å; F267-T270 PolarHBondContact O-N 2.93Å; F267-L271 HydrophobicContact CB-CD1 4.17Å; F267-L271 HydrophobicContact CB-CG 4.45Å; F267-L271 WeakPolarHBondContact O-CB 3.33Å; F267-L271 WeakPolarHBondContact O-CG 3.4Å; F267-L271 PolarHBondContact O-N 3.02Å
268	W	92.4	Very high	91.8	Very high	1 Å²	1	14.4 Å²	14.4	0%	0.004	9%	0.086	C	C	.	.	H	α-helix	trans	-54.1	-38	178.7	77.8	-92.2	0	0	0	114.4	F175 I176 I181 L186 L200 L210 I214 E266 L272	F175-W268 HydrophobicContact CD2-CB 4.28Å; F175-W268 HydrophobicContact CE1-CB 4.4Å; F175-W268 HydrophobicContact CE2-CB 4.01Å; F175-W268 HydrophobicContact CZ-CB 4.07Å; F175-W268 VanDerWaalsContact O-CB 3.27Å; F175-W268 WeakPolarHBondContact O-CB 3.47Å; F175-W268 PolarHBondContact O-N 3.05Å; I176-W268 HydrophobicContact CG1-CB 4Å; I176-W268 HydrophobicContact CG1-CG 3.98Å; I181-W268 HydrophobicContact CD1-CD2 4.41Å; I181-W268 HydrophobicContact CG2-CH2 4.1Å; I181-W268 HydrophobicContact CG2-CZ2 3.43Å; I181-W268 VanDerWaalsContact CG2-CZ2 3.43Å; L186-W268 HydrophobicContact CD1-CH2 4.42Å; L186-W268 HydrophobicContact CD2-CH2 4.2Å; L186-W268 HydrophobicContact CD2-CZ2 4.31Å; L200-W268 HydrophobicContact CD2-CZ3 4.47Å; L210-W268 HydrophobicContact CD2-CH2 4.16Å; L210-W268 HydrophobicContact CD2-CZ3 4.28Å; I214-W268 HydrophobicContact CD1-CD2 4.06Å; I214-W268 HydrophobicContact CD1-CE3 3.35Å; I214-W268 HydrophobicContact CD1-CZ3 3.84Å; E266-W268 VanDerWaalsContact CD-CD1 3.41Å; E266-W268 PolarHBondContact OE1-NE1 2.71Å; E266-W268 PolarHBondContact OE2-NE1 3.38Å; W268-L272 HydrophobicContact CE3-CD1 4.24Å; W268-L272 HydrophobicContact CZ3-CD1 4.07Å; W268-L272 VanDerWaalsContact O-CB 3.27Å; W268-L272 WeakPolarHBondContact O-CB 3.49Å; W268-L272 PolarHBondContact O-N 2.89Å
269	P	90.9	Very high	92	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.006	9%	0.091	C	C	.	.	H	α-helix	trans	-66.6	-45.7	-178.4	-20.3	33.9	0	0	0	112	L186 V259 F267 L271 L272 E273	L186-P269 HydrophobicContact CD2-CB 3.52Å; L186-P269 HydrophobicContact CD2-CG 3.79Å; V259-P269 HydrophobicContact CG1-CB 3.59Å; F267-P269 VanDerWaalsContact C-N 3.32Å; P269-L271 VanDerWaalsContact C-N 3.34Å; P269-L271 PolarHBondContact O-N 3.49Å; P269-L272 PolarHBondContact O-N 3.49Å; P269-E273 WeakPolarHBondContact O-CB 3.39Å; P269-E273 PolarHBondContact O-N 3.17Å
270	T	93.2	Very high	92.3	Very high	4 Å²	4	15.5 Å²	15.5	3%	0.025	9%	0.091	C	C	.	.	H	α-helix	trans	-67.4	-37.7	-178.2	-42.8	0	0	0	0	111.1	L248 V259 H260 F267 K274	L248-T270 HydrophobicContact CB-CG2 4.5Å; L248-T270 HydrophobicContact CD1-CG2 3.73Å; L248-T270 HydrophobicContact CD2-CG2 3.77Å; L248-T270 HydrophobicContact CG-CG2 4.18Å; V259-T270 WeakPolarHBondContact O-CA 3.37Å; V259-T270 VanDerWaalsContact O-CB 3.25Å; V259-T270 WeakPolarHBondContact O-CB 3.44Å; V259-T270 VanDerWaalsContact O-CG2 3.26Å; V259-T270 WeakPolarHBondContact O-CG2 3.49Å; V259-T270 PolarHBondContact O-OG1 3.18Å; H260-T270 WeakPolarHBondContact CA-OG1 3.31Å; F267-T270 PolarHBondContact O-N 2.93Å; T270-K274 WeakPolarHBondContact O-CB 3.46Å; T270-K274 PolarHBondContact O-N 3.23Å
271	L	96.3	Very high	92.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-69.2	-40	174.7	-70.5	172	0	0	0	112	F175 F220 F229 F231 I244 D246 L248 F267 P269 K274 A275	F175-L271 HydrophobicContact CD2-CD1 3.79Å; F175-L271 HydrophobicContact CE2-CD1 3.73Å; F220-L271 HydrophobicContact CZ-CD1 4.02Å; F229-L271 HydrophobicContact CD1-CD1 4.23Å; F229-L271 HydrophobicContact CD2-CD1 4.03Å; F229-L271 HydrophobicContact CD2-CD2 4.44Å; F229-L271 HydrophobicContact CE1-CD1 4.39Å; F229-L271 HydrophobicContact CE2-CD1 4.21Å; F229-L271 HydrophobicContact CG-CD1 4.06Å; F229-L271 HydrophobicContact CZ-CD1 4.38Å; F231-L271 HydrophobicContact CE2-CB 3.8Å; F231-L271 HydrophobicContact CZ-CB 3.64Å; I244-L271 HydrophobicContact CD1-CB 4.09Å; I244-L271 HydrophobicContact CD1-CD2 3.93Å; I244-L271 WeakPolarHBondContact CD1-O 3.18Å; D246-L271 HydrophobicContact CB-CD2 3.86Å; L248-L271 HydrophobicContact CD2-CD2 4Å; F267-L271 HydrophobicContact CB-CD1 4.17Å; F267-L271 HydrophobicContact CB-CG 4.45Å; F267-L271 WeakPolarHBondContact O-CB 3.33Å; F267-L271 WeakPolarHBondContact O-CG 3.4Å; F267-L271 PolarHBondContact O-N 3.02Å; P269-L271 VanDerWaalsContact C-N 3.34Å; P269-L271 PolarHBondContact O-N 3.49Å; L271-K274 WeakPolarHBondContact O-CB 3.42Å; L271-K274 PolarHBondContact O-N 2.93Å; L271-A275 PolarHBondContact O-N 3.3Å
272	L	95	Very high	92.8	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63.6	-48.1	177	-172.8	158.7	0	0	0	110.7	L200 T213 I214 F231 F233 W268 P269 K274 A275 Y276 L298	L200-L272 HydrophobicContact CD1-CD2 3.98Å; L200-L272 HydrophobicContact CD2-CD1 3.66Å; L200-L272 HydrophobicContact CD2-CD2 3.58Å; L200-L272 HydrophobicContact CD2-CG 4.28Å; L200-L272 HydrophobicContact CG-CD2 4.33Å; T213-L272 HydrophobicContact CG2-CD1 3.84Å; I214-L272 HydrophobicContact CD1-CD1 3.92Å; I214-L272 HydrophobicContact CG1-CD1 3.96Å; F231-L272 HydrophobicContact CD1-CB 3.88Å; F231-L272 HydrophobicContact CD1-CD1 4.12Å; F231-L272 HydrophobicContact CD1-CG 3.84Å; F231-L272 HydrophobicContact CE1-CB 3.56Å; F231-L272 HydrophobicContact CE1-CD1 4.24Å; F231-L272 HydrophobicContact CE1-CG 4.03Å; F231-L272 HydrophobicContact CZ-CB 4.07Å; F233-L272 HydrophobicContact CE1-CD2 4.15Å; F233-L272 HydrophobicContact CZ-CD2 4.33Å; F233-L272 HydrophobicContact CZ-CG 4.43Å; W268-L272 HydrophobicContact CE3-CD1 4.24Å; W268-L272 HydrophobicContact CZ3-CD1 4.07Å; W268-L272 VanDerWaalsContact O-CB 3.27Å; W268-L272 WeakPolarHBondContact O-CB 3.49Å; W268-L272 PolarHBondContact O-N 2.89Å; P269-L272 PolarHBondContact O-N 3.49Å; L272-K274 VanDerWaalsContact C-N 3.28Å; L272-K274 PolarHBondContact O-N 2.61Å; L272-A275 PolarHBondContact O-N 2.84Å; L272-A275 VanDerWaalsContact O-N 3.1Å; L272-Y276 PolarHBondContact O-N 3.26Å; L272-L298 HydrophobicContact CD2-CD2 4.17Å
273	E	94.1	Very high	93.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-57.4	-43.1	176.3	-176.2	-162.5	-125.3	0	0	110.8	D193 F258 V259 P269 A275 Y276 A277 Y283 L286	D193-E273 VanDerWaalsContact OD2-OE1 3.05Å; F258-E273 WeakPolarHBondContact CB-OE1 3.31Å; F258-E273 WeakPolarHBondContact CB-OE2 3.22Å; V259-E273 HydrophobicContact CB-CB 4.33Å; V259-E273 HydrophobicContact CB-CG 4.4Å; V259-E273 VanDerWaalsContact CB-OE1 3.27Å; V259-E273 WeakPolarHBondContact CB-OE1 3.29Å; V259-E273 WeakPolarHBondContact CG2-OE1 3.38Å; V259-E273 PolarHBondContact N-OE1 3.13Å; V259-E273 PolarHBondContact N-OE2 3.11Å; P269-E273 WeakPolarHBondContact O-CB 3.39Å; P269-E273 PolarHBondContact O-N 3.17Å; E273-A275 PolarHBondContact O-N 3.35Å; E273-Y276 CarbonylContact O-C 3.55Å; E273-Y276 PolarHBondContact O-N 3.26Å; E273-A277 WeakPolarHBondContact O-CB 3.45Å; E273-A277 PolarHBondContact O-N 3.49Å; E273-Y283 HydrophobicContact CG-CE1 4.11Å; E273-L286 HydrophobicContact CG-CD1 4.36Å
274	K	96.6	Very high	93.5	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-58.1	-45.9	173.4	-174.9	175.1	170.5	-172.2	0	112.6	F128 I244 D245 R247 L248 T270 L271 L272 Y276 A277 K278 Y283	F128-K274 HydrophobicContact CD1-CG 4.39Å; F128-K274 HydrophobicContact CE1-CG 4.1Å; I244-K274 HydrophobicContact CD1-CB 3.98Å; I244-K274 HydrophobicContact CD1-CD 4.09Å; I244-K274 HydrophobicContact CD1-CG 4.14Å; I244-K274 HydrophobicContact CG2-CG 4.45Å; D245-K274 PolarHBondContact O-NZ 3.4Å; D245-K274 IonicContact OD1-NZ 2.63Å; D245-K274 PolarHBondContact OD1-NZ 3.3Å; R247-K274 WeakPolarHBondContact O-CE 3.49Å; R247-K274 PolarHBondContact O-NZ 3.04Å; L248-K274 HydrophobicContact CD2-CD 4.08Å; T270-K274 WeakPolarHBondContact O-CB 3.46Å; T270-K274 PolarHBondContact O-N 3.23Å; L271-K274 WeakPolarHBondContact O-CB 3.42Å; L271-K274 PolarHBondContact O-N 2.93Å; L272-K274 VanDerWaalsContact C-N 3.28Å; L272-K274 PolarHBondContact O-N 2.61Å; K274-Y276 VanDerWaalsContact C-N 3.28Å; K274-Y276 PolarHBondContact O-N 3.13Å; K274-A277 WeakPolarHBondContact O-CB 3.27Å; K274-A277 PolarHBondContact O-N 3.46Å; K274-K278 WeakPolarHBondContact O-CB 3.44Å; K274-K278 PolarHBondContact O-N 3.33Å; K274-Y283 WeakPolarHBondContact CA-OH 3.13Å; K274-Y283 WeakPolarHBondContact CB-OH 3.19Å; K274-Y283 HydrophobicContact CG-CE2 4.47Å; K274-Y283 WeakPolarHBondContact CG-OH 3.43Å
275	A	97.4	Very high	93.6	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-64.1	-36.6	178.1	0	0	0	0	0	111.7	F231 F233 V242 I244 L271 L272 E273 K278 L279	F231-A275 HydrophobicContact CB-CB 3.88Å; F231-A275 HydrophobicContact CD2-CB 3.44Å; F231-A275 VanDerWaalsContact CD2-CB 3.44Å; F231-A275 HydrophobicContact CE2-CB 4.27Å; F231-A275 HydrophobicContact CG-CB 3.88Å; F233-A275 HydrophobicContact CE2-CB 3.85Å; F233-A275 HydrophobicContact CZ-CB 4.06Å; V242-A275 HydrophobicContact CB-CB 4.47Å; V242-A275 HydrophobicContact CG1-CB 4.13Å; I244-A275 HydrophobicContact CD1-CB 4.15Å; I244-A275 HydrophobicContact CG1-CB 4.43Å; I244-A275 HydrophobicContact CG2-CB 3.92Å; L271-A275 PolarHBondContact O-N 3.3Å; L272-A275 PolarHBondContact O-N 2.84Å; L272-A275 VanDerWaalsContact O-N 3.1Å; E273-A275 PolarHBondContact O-N 3.35Å; A275-K278 PolarHBondContact O-N 3.47Å; A275-L279 WeakPolarHBondContact O-CB 3.41Å; A275-L279 PolarHBondContact O-N 2.89Å
276	Y	95.5	Very high	93.5	Very high	1 Å²	1	6.6 Å²	6.6	0%	0.004	4%	0.04	C	C	.	.	H	α-helix	trans	-70.8	-38.3	175.4	-163.2	-120.9	0	0	0	112.1	W195 V196 F233 L272 E273 K274 L279 N280 L286 D297 R526	W195-Y276 AromaticContact CH2-CE1 3.69Å; W195-Y276 HydrophobicContact CH2-CE1 3.69Å; W195-Y276 WeakPolarHBondContact CH2-OH 3.35Å; W195-Y276 HydrophobicContact CZ2-CE1 4.3Å; W195-Y276 HydrophobicContact CZ3-CE1 4.34Å; V196-Y276 HydrophobicContact CG1-CD1 4.1Å; V196-Y276 HydrophobicContact CG1-CE1 4.35Å; V196-Y276 HydrophobicContact CG2-CD1 4.06Å; V196-Y276 HydrophobicContact CG2-CE1 3.77Å; F233-Y276 AromaticContact CD1-CD2 3.65Å; F233-Y276 HydrophobicContact CD1-CD2 3.65Å; F233-Y276 HydrophobicContact CD1-CE2 4.18Å; F233-Y276 AromaticContact CE1-CD2 3.57Å; F233-Y276 HydrophobicContact CE1-CD2 3.57Å; F233-Y276 HydrophobicContact CE1-CE2 4.45Å; F233-Y276 HydrophobicContact CE1-CG 4.14Å; F233-Y276 HydrophobicContact CG-CD2 4.19Å; F233-Y276 HydrophobicContact CZ-CD2 4.03Å; F233-Y276 HydrophobicContact CZ-CG 4.39Å; L272-Y276 PolarHBondContact O-N 3.26Å; E273-Y276 CarbonylContact O-C 3.55Å; E273-Y276 PolarHBondContact O-N 3.26Å; K274-Y276 VanDerWaalsContact C-N 3.28Å; K274-Y276 PolarHBondContact O-N 3.13Å; Y276-L279 HydrophobicContact CD2-CD2 4.25Å; Y276-L279 HydrophobicContact CE2-CD2 4.42Å; Y276-L279 WeakPolarHBondContact O-CB 3.44Å; Y276-L279 PolarHBondContact O-N 2.87Å; Y276-N280 PolarHBondContact O-N 3.18Å; Y276-N280 PolarHBondContact O-ND2 3.28Å; Y276-L286 HydrophobicContact CD1-CD1 4.04Å; Y276-L286 HydrophobicContact CD1-CD2 3.49Å; Y276-L286 VanDerWaalsContact CD1-CD2 3.49Å; Y276-L286 HydrophobicContact CD1-CG 4.41Å; Y276-L286 HydrophobicContact CE1-CD2 3.72Å; Y276-L286 HydrophobicContact CG-CD2 4.35Å; Y276-D297 HydrophobicContact CE2-CB 3.9Å; Y276-D297 WeakPolarHBondContact CE2-OD2 3.48Å; Y276-D297 PolarHBondContact OH-OD2 2.94Å; Y276-R526 PolarHBondContact OH-NH1 3.06Å; Y276-R526 VanDerWaalsContact OH-NH1 3.12Å
277	A	95.1	Very high	93.1	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-60.8	-46.5	172.2	0	0	0	0	0	110.8	F128 E273 K274 L279 N280 G281 S282 Y283 L286	F128-A277 HydrophobicContact CZ-CB 4.06Å; E273-A277 WeakPolarHBondContact O-CB 3.45Å; E273-A277 PolarHBondContact O-N 3.49Å; K274-A277 WeakPolarHBondContact O-CB 3.27Å; K274-A277 PolarHBondContact O-N 3.46Å; A277-L279 PolarHBondContact O-N 2.99Å; A277-N280 CarbonylContact O-C 3.55Å; A277-N280 VanDerWaalsContact O-C 3.32Å; A277-N280 PolarHBondContact O-N 3.45Å; A277-N280 VanDerWaalsContact O-N 3.14Å; A277-G281 CarbonylContact O-C 3.57Å; A277-G281 PolarHBondContact O-N 3.39Å; A277-S282 PolarHBondContact O-N 2.98Å; A277-Y283 HydrophobicContact CB-CD1 3.79Å; A277-Y283 HydrophobicContact CB-CD2 3.99Å; A277-Y283 HydrophobicContact CB-CE1 4.01Å; A277-Y283 HydrophobicContact CB-CE2 4.22Å; A277-Y283 HydrophobicContact CB-CG 3.8Å; A277-L286 HydrophobicContact CB-CD1 3.84Å; A277-L286 HydrophobicContact CB-CG 4.34Å
278	K	96.2	Very high	92.3	Very high	43 Å²	43	12.1 Å²	12.1	19%	0.187	7%	0.073	C	C	.	.	H	α-helix	trans	-56.6	-48	173.6	174.2	174.3	-179.4	172.6	0	112.1	D125 F128 V242 Y243 I244 K274 A275 N280 G281	D125-K278 IonicContact OD1-NZ 2.97Å; D125-K278 PolarHBondContact OD1-NZ 2.81Å; D125-K278 WeakPolarHBondContact OD2-CD 3.3Å; D125-K278 WeakPolarHBondContact OD2-CE 3.2Å; D125-K278 IonicContact OD2-NZ 2.82Å; D125-K278 PolarHBondContact OD2-NZ 3.04Å; F128-K278 HydrophobicContact CB-CB 4.19Å; F128-K278 HydrophobicContact CB-CD 3.74Å; F128-K278 HydrophobicContact CB-CG 3.84Å; F128-K278 HydrophobicContact CD1-CB 4.08Å; F128-K278 HydrophobicContact CD2-CB 3.79Å; F128-K278 HydrophobicContact CD2-CG 4Å; F128-K278 HydrophobicContact CE1-CB 4.38Å; F128-K278 HydrophobicContact CE2-CB 4.13Å; F128-K278 HydrophobicContact CG-CB 3.75Å; F128-K278 HydrophobicContact CG-CD 4.25Å; F128-K278 HydrophobicContact CG-CG 3.93Å; F128-K278 HydrophobicContact CZ-CB 4.39Å; V242-K278 HydrophobicContact CG1-CB 4.46Å; V242-K278 HydrophobicContact CG1-CD 3.89Å; V242-K278 HydrophobicContact CG1-CG 4.22Å; Y243-K278 WeakPolarHBondContact O-CD 3.31Å; Y243-K278 PolarHBondContact O-NZ 3.17Å; I244-K278 HydrophobicContact CG2-CB 4.4Å; I244-K278 HydrophobicContact CG2-CD 3.81Å; K274-K278 WeakPolarHBondContact O-CB 3.44Å; K274-K278 PolarHBondContact O-N 3.33Å; A275-K278 PolarHBondContact O-N 3.47Å; K278-N280 PolarHBondContact O-N 3.35Å; K278-G281 PolarHBondContact O-N 3.17Å
279	L	94.7	Very high	91.7	Very high	23 Å²	23	12.9 Å²	12.9	12%	0.12	8%	0.08	C	C	.	.	H	α-helix	trans	-58.3	-36.8	178.4	-175.3	64.8	0	0	0	112	F233 R235 V242 A275 Y276 A277	F233-L279 HydrophobicContact CB-CD2 3.55Å; F233-L279 HydrophobicContact CD2-CD2 3.68Å; F233-L279 HydrophobicContact CG-CD2 3.7Å; R235-L279 HydrophobicContact CG-CD1 4.43Å; R235-L279 HydrophobicContact CG-CD2 4.01Å; V242-L279 HydrophobicContact CG2-CB 4.35Å; V242-L279 HydrophobicContact CG2-CD1 3.95Å; A275-L279 WeakPolarHBondContact O-CB 3.41Å; A275-L279 PolarHBondContact O-N 2.89Å; Y276-L279 HydrophobicContact CD2-CD2 4.25Å; Y276-L279 HydrophobicContact CE2-CD2 4.42Å; Y276-L279 WeakPolarHBondContact O-CB 3.44Å; Y276-L279 PolarHBondContact O-N 2.87Å; A277-L279 PolarHBondContact O-N 2.99Å
280	N	92.2	Very high	91.4	Very high	1 Å²	1	16 Å²	16	1%	0.005	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	4.3	178.8	-68.4	-78.8	0	0	0	113.7	Y276 A277 K278 A285 L286 R526 R527	Y276-N280 PolarHBondContact O-N 3.18Å; Y276-N280 PolarHBondContact O-ND2 3.28Å; A277-N280 CarbonylContact O-C 3.55Å; A277-N280 VanDerWaalsContact O-C 3.32Å; A277-N280 PolarHBondContact O-N 3.45Å; A277-N280 VanDerWaalsContact O-N 3.14Å; K278-N280 PolarHBondContact O-N 3.35Å; N280-A285 HydrophobicContact CB-CB 4.17Å; N280-A285 WeakPolarHBondContact O-CB 3.42Å; N280-L286 HydrophobicContact CB-CD2 3.76Å; N280-R526 HydrophobicContact CB-CB 4.33Å; N280-R526 VanDerWaalsContact OD1-CB 3.31Å; N280-R526 WeakPolarHBondContact OD1-CB 3.5Å; N280-R526 VanDerWaalsContact OD1-CD 3.31Å; N280-R526 WeakPolarHBondContact OD1-CD 3.31Å; N280-R527 VanDerWaalsContact O-CA 3.24Å; N280-R527 WeakPolarHBondContact O-CA 3.2Å
281	G	92.3	Very high	91.2	Very high	32 Å²	32	15.9 Å²	15.9	33%	0.33	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.2	-23.5	172.8	0	0	0	0	0	116.7	A277 K278	A277-G281 CarbonylContact O-C 3.57Å; A277-G281 PolarHBondContact O-N 3.39Å; K278-G281 PolarHBondContact O-N 3.17Å
282	S	93.4	Very high	90.9	Very high	5 Å²	5	16.1 Å²	16.1	4%	0.035	10%	0.098	C	C	.	.	S	Bend	trans	-167.9	167	175.4	56.9	0	0	0	0	110.3	S134 Y137 A277 A285	S134-S282 CarbonylContact O-C 3.29Å; S134-S282 VanDerWaalsContact O-CA 3.27Å; S134-S282 WeakPolarHBondContact O-CA 3.47Å; S134-S282 WeakPolarHBondContact O-CB 3.23Å; Y137-S282 WeakPolarHBondContact CD1-OG 3.46Å; A277-S282 PolarHBondContact O-N 2.98Å; S282-A285 WeakPolarHBondContact O-CB 3.47Å; S282-A285 PolarHBondContact O-N 2.94Å; S282-A285 WeakPolarHBondContact OG-CB 3.23Å; S282-A285 PolarHBondContact OG-N 3.19Å; S282-A285 VanDerWaalsContact OG-N 3.12Å
283	Y	93.1	Very high	90.7	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	-62.9	-43.5	169.6	-80.4	-86.6	0	0	0	111.7	F128 S134 L135 W147 L191 P249 F258 E273 K274 A277 A285 L286	F128-Y283 HydrophobicContact CE1-CD2 4.37Å; F128-Y283 HydrophobicContact CE1-CE2 4.03Å; F128-Y283 HydrophobicContact CZ-CD2 4.14Å; F128-Y283 HydrophobicContact CZ-CE2 4.24Å; S134-Y283 WeakPolarHBondContact O-CD2 3.31Å; S134-Y283 PolarHBondContact O-N 3.49Å; L135-Y283 HydrophobicContact CD2-CD2 3.8Å; L135-Y283 HydrophobicContact CD2-CE2 4.25Å; L135-Y283 HydrophobicContact CD2-CG 4.46Å; W147-Y283 HydrophobicContact CH2-CE2 4.19Å; L191-Y283 HydrophobicContact CD2-CD1 4.17Å; L191-Y283 WeakPolarHBondContact CD2-O 3.41Å; P249-Y283 HydrophobicContact CG-CE2 4.04Å; F258-Y283 HydrophobicContact CB-CE1 4.37Å; F258-Y283 AromaticContact CD2-CD1 3.28Å; F258-Y283 HydrophobicContact CD2-CD1 3.28Å; F258-Y283 HydrophobicContact CD2-CD2 4.33Å; F258-Y283 AromaticContact CD2-CE1 3.2Å; F258-Y283 HydrophobicContact CD2-CE1 3.2Å; F258-Y283 HydrophobicContact CD2-CE2 4.26Å; F258-Y283 AromaticContact CD2-CG 3.85Å; F258-Y283 HydrophobicContact CD2-CG 3.85Å; F258-Y283 AromaticContact CD2-CZ 3.71Å; F258-Y283 AromaticContact CE2-CD1 3.29Å; F258-Y283 HydrophobicContact CE2-CD1 3.29Å; F258-Y283 AromaticContact CE2-CD2 3.74Å; F258-Y283 HydrophobicContact CE2-CD2 3.74Å; F258-Y283 AromaticContact CE2-CE1 3.62Å; F258-Y283 HydrophobicContact CE2-CE1 3.62Å; F258-Y283 HydrophobicContact CE2-CE2 4.01Å; F258-Y283 AromaticContact CE2-CG 3.33Å; F258-Y283 HydrophobicContact CE2-CG 3.33Å; F258-Y283 AromaticContact CE2-CZ 3.94Å; F258-Y283 AromaticContact CG-CD1 3.99Å; F258-Y283 HydrophobicContact CG-CD1 3.99Å; F258-Y283 HydrophobicContact CG-CE1 4.03Å; F258-Y283 HydrophobicContact CZ-CD1 4.03Å; F258-Y283 AromaticContact CZ-CG 3.92Å; F258-Y283 HydrophobicContact CZ-CG 3.92Å; E273-Y283 HydrophobicContact CG-CE1 4.11Å; K274-Y283 WeakPolarHBondContact CA-OH 3.13Å; K274-Y283 WeakPolarHBondContact CB-OH 3.19Å; K274-Y283 HydrophobicContact CG-CE2 4.47Å; K274-Y283 WeakPolarHBondContact CG-OH 3.43Å; A277-Y283 HydrophobicContact CB-CD1 3.79Å; A277-Y283 HydrophobicContact CB-CD2 3.99Å; A277-Y283 HydrophobicContact CB-CE1 4.01Å; A277-Y283 HydrophobicContact CB-CE2 4.22Å; A277-Y283 HydrophobicContact CB-CG 3.8Å; Y283-A285 PolarHBondContact O-N 3.01Å; Y283-A285 VanDerWaalsContact O-N 3.14Å; Y283-L286 WeakPolarHBondContact O-CB 3.44Å; Y283-L286 PolarHBondContact O-N 3.35Å
284	E	90.9	Very high	90.7	Very high	15 Å²	15	16.9 Å²	16.9	7%	0.07	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-58	-30.8	176.6	-174.6	179.7	-177.3	0	0	112.6	L135 Y136 Y137 S138 L286 N287	L135-E284 VanDerWaalsContact O-CB 3.29Å; L135-E284 WeakPolarHBondContact O-CB 3.31Å; L135-E284 PolarHBondContact O-N 3.17Å; Y136-E284 VanDerWaalsContact CA-OE2 3.25Å; Y136-E284 WeakPolarHBondContact CA-OE2 3.35Å; Y136-E284 WeakPolarHBondContact CB-OE2 3.36Å; Y136-E284 HydrophobicContact CD1-CB 3.83Å; Y136-E284 HydrophobicContact CD1-CG 4.05Å; Y136-E284 HydrophobicContact CE1-CB 4.47Å; Y136-E284 HydrophobicContact CG-CB 4.47Å; Y137-E284 HydrophobicContact CD1-CB 4.13Å; Y137-E284 HydrophobicContact CD1-CG 4.32Å; Y137-E284 HydrophobicContact CE1-CB 3.88Å; Y137-E284 HydrophobicContact CE1-CG 3.81Å; Y137-E284 PolarHBondContact N-OE2 3.45Å; S138-E284 VanDerWaalsContact CB-OE1 3.23Å; S138-E284 WeakPolarHBondContact CB-OE1 3.22Å; S138-E284 PolarHBondContact N-OE2 2.85Å; S138-E284 PolarHBondContact OG-OE1 2.7Å; S138-E284 PolarHBondContact OG-OE2 3.15Å; E284-L286 PolarHBondContact O-N 2.95Å; E284-L286 VanDerWaalsContact O-N 3.15Å; E284-N287 WeakPolarHBondContact O-CB 3.49Å; E284-N287 PolarHBondContact O-N 3.5Å
285	A	88.9	Confident	90.5	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.008	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-63.5	-19.6	176.1	0	0	0	0	0	113.3	Y137 N280 S282 Y283 N287 R529	Y137-A285 HydrophobicContact CE1-CB 4.34Å; N280-A285 HydrophobicContact CB-CB 4.17Å; N280-A285 WeakPolarHBondContact O-CB 3.42Å; S282-A285 WeakPolarHBondContact O-CB 3.47Å; S282-A285 PolarHBondContact O-N 2.94Å; S282-A285 WeakPolarHBondContact OG-CB 3.23Å; S282-A285 PolarHBondContact OG-N 3.19Å; S282-A285 VanDerWaalsContact OG-N 3.12Å; Y283-A285 PolarHBondContact O-N 3.01Å; Y283-A285 VanDerWaalsContact O-N 3.14Å; A285-N287 VanDerWaalsContact C-N 3.34Å; A285-R529 PolarHBondContact O-NH1 3.28Å
286	L	89	Confident	90.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-82.7	-10.2	173.2	-53.7	-175.5	0	0	0	113.2	L191 D193 W195 E273 Y276 A277 N280 Y283 E284 V288	L191-L286 HydrophobicContact CD2-CB 4.15Å; D193-L286 HydrophobicContact CB-CB 4.12Å; W195-L286 PolarHBondContact NE1-O 3.08Å; E273-L286 HydrophobicContact CG-CD1 4.36Å; Y276-L286 HydrophobicContact CD1-CD1 4.04Å; Y276-L286 HydrophobicContact CD1-CD2 3.49Å; Y276-L286 VanDerWaalsContact CD1-CD2 3.49Å; Y276-L286 HydrophobicContact CD1-CG 4.41Å; Y276-L286 HydrophobicContact CE1-CD2 3.72Å; Y276-L286 HydrophobicContact CG-CD2 4.35Å; A277-L286 HydrophobicContact CB-CD1 3.84Å; A277-L286 HydrophobicContact CB-CG 4.34Å; N280-L286 HydrophobicContact CB-CD2 3.76Å; Y283-L286 WeakPolarHBondContact O-CB 3.44Å; Y283-L286 PolarHBondContact O-N 3.35Å; E284-L286 PolarHBondContact O-N 2.95Å; E284-L286 VanDerWaalsContact O-N 3.15Å; L286-V288 PolarHBondContact O-N 3.01Å
287	N	83	Confident	90.3	Very high	65 Å²	65	16.9 Å²	16.9	35%	0.348	10%	0.102	S	C	.	.	S	Bend	trans	-63.4	120.7	-179.1	-162.8	9.3	0	0	0	110.3	L191 G192 E284 A285 R529	L191-N287 HydrophobicContact CD1-CB 4.36Å; G192-N287 VanDerWaalsContact CA-OD1 3.31Å; G192-N287 WeakPolarHBondContact CA-OD1 3.49Å; E284-N287 WeakPolarHBondContact O-CB 3.49Å; E284-N287 PolarHBondContact O-N 3.5Å; A285-N287 VanDerWaalsContact C-N 3.34Å; N287-R529 PolarHBondContact O-NH1 2.9Å
288	V	77.2	Confident	90.2	Very high	63 Å²	63	17 Å²	17	38%	0.382	10%	0.103	S	C	.	.	S	Bend	trans	60.1	102.7	179.8	-150.5	0	0	0	0	115	R56 G192 L286 R529	R56-V288 PolarHBondContact NH2-O 3.18Å; G192-V288 PolarHBondContact O-N 3.25Å; L286-V288 PolarHBondContact O-N 3.01Å; V288-R529 PolarHBondContact O-NH2 2.66Å
289	G	80.3	Confident	90	Very high	16 Å²	16	14.9 Å²	14.9	17%	0.165	9%	0.094	C	C	.	.			trans	-138.7	-166.1	174.3	0	0	0	0	0	112.5	W195	W195-G289 VanDerWaalsContact NE1-N 3.17Å
290	L	84.8	Confident	89.9	Confident	68 Å²	68	13.9 Å²	13.9	36%	0.356	9%	0.088	S	C	.	.			trans	-113.7	135.4	176.3	-62.7	175.5	0	0	0	108.7	G292 D293 A294	L290-G292 PolarHBondContact O-N 3.43Å; L290-D293 HydrophobicContact CB-CB 4.45Å; L290-D293 WeakPolarHBondContact O-CB 3.21Å; L290-D293 PolarHBondContact O-N 2.89Å; L290-A294 PolarHBondContact O-N 3.06Å
291	V	88.4	Confident	89.9	Confident	1 Å²	1	13.9 Å²	13.9	1%	0.006	9%	0.089	C	C	.	.	H	α-helix	trans	-56.2	-42.8	-179.1	-179.6	0	0	0	0	111	W195 A198 A199 D293 A294 M295	W195-V291 HydrophobicContact CB-CG2 4.03Å; A198-V291 HydrophobicContact CB-CG1 3.99Å; A198-V291 HydrophobicContact CB-CG2 3.89Å; A199-V291 HydrophobicContact CB-CG1 4.31Å; V291-D293 PolarHBondContact O-N 2.8Å; V291-A294 PolarHBondContact O-N 3.26Å; V291-M295 HydrophobicContact CG1-CE 4.18Å; V291-M295 HydrophobicContact CG1-CG 4.18Å; V291-M295 HydrophobicContact CG1-SD 4.32Å; V291-M295 WeakPolarHBondContact O-CG 3.4Å; V291-M295 PolarHBondContact O-N 3.28Å
292	G	90.5	Very high	90	Very high	4 Å²	4	12.3 Å²	12.3	4%	0.041	7%	0.073	C	C	.	.	H	α-helix	trans	-56	-35.4	175.7	0	0	0	0	0	114.1	L290 A294 M295 D296 T303	L290-G292 PolarHBondContact O-N 3.43Å; G292-A294 VanDerWaalsContact C-N 3.35Å; G292-A294 PolarHBondContact O-N 2.84Å; G292-M295 PolarHBondContact O-N 3Å; G292-D296 WeakPolarHBondContact O-CB 3.41Å; G292-D296 PolarHBondContact O-N 3.3Å; G292-T303 PolarHBondContact O-OG1 3.03Å
293	D	91.9	Very high	90.1	Very high	16 Å²	16	12.4 Å²	12.4	9%	0.086	7%	0.073	C	C	.	.	H	α-helix	trans	-66.4	-38.8	177.6	-76.1	-31.5	0	0	0	112.3	W195 L290 V291 D297 R526 R574	W195-D293 HydrophobicContact CZ3-CB 4.21Å; L290-D293 HydrophobicContact CB-CB 4.45Å; L290-D293 WeakPolarHBondContact O-CB 3.21Å; L290-D293 PolarHBondContact O-N 2.89Å; V291-D293 PolarHBondContact O-N 2.8Å; D293-D297 VanDerWaalsContact O-CG 3.28Å; D293-D297 PolarHBondContact O-N 3.14Å; D293-D297 VanDerWaalsContact O-N 3.1Å; D293-R526 VanDerWaalsContact CG-NH2 3.25Å; D293-R526 IonicContact OD2-CZ 2.85Å; D293-R526 IonicContact OD2-NH2 3.18Å; D293-R526 PolarHBondContact OD2-NH2 2.73Å; D293-R574 PolarHBondContact O-NH2 3.29Å; D293-R574 IonicContact OD1-CZ 2.88Å; D293-R574 VanDerWaalsContact OD1-CZ 3.27Å; D293-R574 IonicContact OD1-NE 3.55Å; D293-R574 PolarHBondContact OD1-NE 3.46Å; D293-R574 IonicContact OD1-NH2 2.76Å; D293-R574 PolarHBondContact OD1-NH2 3.42Å
294	A	92.7	Very high	90.2	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-71.6	-40.1	176.2	0	0	0	0	0	111.2	W195 A199 L290 V291 G292 D296 D297 L298	W195-A294 HydrophobicContact CE3-CB 3.5Å; W195-A294 VanDerWaalsContact CE3-CB 3.5Å; W195-A294 HydrophobicContact CZ3-CB 3.43Å; W195-A294 VanDerWaalsContact CZ3-CB 3.43Å; A199-A294 HydrophobicContact CB-CB 3.44Å; A199-A294 VanDerWaalsContact CB-CB 3.44Å; L290-A294 PolarHBondContact O-N 3.06Å; V291-A294 PolarHBondContact O-N 3.26Å; G292-A294 VanDerWaalsContact C-N 3.35Å; G292-A294 PolarHBondContact O-N 2.84Å; A294-D296 VanDerWaalsContact C-N 3.31Å; A294-D296 PolarHBondContact O-N 3.27Å; A294-D297 PolarHBondContact O-N 3.2Å; A294-L298 HydrophobicContact CB-CD1 4.45Å; A294-L298 WeakPolarHBondContact O-CB 3.46Å; A294-L298 WeakPolarHBondContact O-CD1 3.31Å; A294-L298 WeakPolarHBondContact O-CG 3.33Å; A294-L298 PolarHBondContact O-N 3.47Å
295	M	93.2	Very high	90.4	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-58.8	-45.5	175.8	-70.4	-164.7	-65.8	0	0	110.9	A199 V291 G292 L298 T299 T303 L335 T337 D443 C445	A199-M295 HydrophobicContact CB-CG 3.7Å; V291-M295 HydrophobicContact CG1-CE 4.18Å; V291-M295 HydrophobicContact CG1-CG 4.18Å; V291-M295 HydrophobicContact CG1-SD 4.32Å; V291-M295 WeakPolarHBondContact O-CG 3.4Å; V291-M295 PolarHBondContact O-N 3.28Å; G292-M295 PolarHBondContact O-N 3Å; M295-L298 PolarHBondContact O-N 3.33Å; M295-T299 VanDerWaalsContact O-CB 3.31Å; M295-T299 WeakPolarHBondContact O-CB 3.11Å; M295-T299 VanDerWaalsContact O-CG2 3.29Å; M295-T299 WeakPolarHBondContact O-CG2 3.42Å; M295-T299 PolarHBondContact O-N 3.24Å; M295-T299 PolarHBondContact O-OG1 2.95Å; M295-T303 HydrophobicContact CE-CG2 3.55Å; M295-L335 HydrophobicContact SD-CB 4.4Å; M295-T337 HydrophobicContact SD-CG2 4.1Å; M295-D443 HydrophobicContact CE-CB 3.53Å; M295-C445 HydrophobicContact CB-CB 3.9Å; M295-C445 HydrophobicContact CE-CB 3.74Å; M295-C445 HydrophobicContact CG-CB 4.42Å; M295-C445 HydrophobicContact SD-CB 3.7Å
296	D	94.1	Very high	90.6	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-60.7	-46.2	175.3	-77.6	20.9	0	0	0	112	G292 A294 L298 T299 G300 T303 R605	G292-D296 WeakPolarHBondContact O-CB 3.41Å; G292-D296 PolarHBondContact O-N 3.3Å; A294-D296 VanDerWaalsContact C-N 3.31Å; A294-D296 PolarHBondContact O-N 3.27Å; D296-L298 VanDerWaalsContact C-N 3.29Å; D296-L298 PolarHBondContact O-N 2.8Å; D296-T299 PolarHBondContact O-N 2.99Å; D296-G300 WeakPolarHBondContact O-CA 3.49Å; D296-G300 PolarHBondContact O-N 3.34Å; D296-T303 WeakPolarHBondContact OD1-CB 3.41Å; D296-T303 PolarHBondContact OD1-N 3.34Å; D296-T303 PolarHBondContact OD1-OG1 3.03Å; D296-R605 IonicContact OD2-CZ 3.57Å; D296-R605 IonicContact OD2-NH1 2.86Å; D296-R605 IonicContact OD2-NH2 2.78Å; D296-R605 PolarHBondContact OD2-NH2 3.31Å
297	D	94.6	Very high	90.7	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-66.4	-30	-179.1	-74.9	-14.5	0	0	0	113	F233 W234 R235 Y276 D293 A294 R526 R574	F233-D297 CarbonylContact C-O 3.54Å; F233-D297 WeakPolarHBondContact CA-O 3.24Å; W234-D297 PolarHBondContact N-O 3.29Å; W234-D297 WeakPolarHBondContact O-CA 3.25Å; R235-D297 VanDerWaalsContact NH1-CG 3.33Å; R235-D297 IonicContact NH1-OD1 3.25Å; R235-D297 PolarHBondContact NH1-OD1 2.91Å; R235-D297 VanDerWaalsContact NH1-OD1 3.07Å; R235-D297 IonicContact NH1-OD2 3.61Å; R235-D297 PolarHBondContact NH1-OD2 2.87Å; Y276-D297 HydrophobicContact CE2-CB 3.9Å; Y276-D297 WeakPolarHBondContact CE2-OD2 3.48Å; Y276-D297 PolarHBondContact OH-OD2 2.94Å; D293-D297 VanDerWaalsContact O-CG 3.28Å; D293-D297 PolarHBondContact O-N 3.14Å; D293-D297 VanDerWaalsContact O-N 3.1Å; A294-D297 PolarHBondContact O-N 3.2Å; D297-R526 IonicContact OD2-NH1 2.99Å; D297-R574 IonicContact OD1-CZ 2.64Å; D297-R574 IonicContact OD1-NH1 3.91Å; D297-R574 PolarHBondContact OD1-NH1 3.41Å; D297-R574 IonicContact OD1-NH2 3.16Å; D297-R574 IonicContact OD2-NH1 2.77Å; D297-R574 PolarHBondContact OD2-NH1 2.99Å
298	L	93	Very high	91.1	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-89.1	-27	-178.1	-64.8	165.7	0	0	0	112	A199 L200 I203 T213 F233 W239 L272 A294 M295 D296	A199-L298 HydrophobicContact CB-CD1 3.96Å; L200-L298 HydrophobicContact CD2-CD1 3.79Å; L200-L298 HydrophobicContact CD2-CD2 4.09Å; L200-L298 HydrophobicContact CG-CD1 4.07Å; I203-L298 HydrophobicContact CD1-CB 3.21Å; I203-L298 HydrophobicContact CD1-CD1 3.53Å; I203-L298 HydrophobicContact CD1-CG 3.98Å; T213-L298 HydrophobicContact CG2-CD2 3.72Å; T213-L298 PolarHBondContact OG1-O 3.46Å; F233-L298 HydrophobicContact CD1-CD2 3.95Å; F233-L298 HydrophobicContact CE1-CD2 3.75Å; W239-L298 WeakPolarHBondContact CH2-O 3.46Å; L272-L298 HydrophobicContact CD2-CD2 4.17Å; A294-L298 HydrophobicContact CB-CD1 4.45Å; A294-L298 WeakPolarHBondContact O-CB 3.46Å; A294-L298 WeakPolarHBondContact O-CD1 3.31Å; A294-L298 WeakPolarHBondContact O-CG 3.33Å; A294-L298 PolarHBondContact O-N 3.47Å; M295-L298 PolarHBondContact O-N 3.33Å; D296-L298 VanDerWaalsContact C-N 3.29Å; D296-L298 PolarHBondContact O-N 2.8Å
299	T	92.2	Very high	91.4	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-112.9	-23.2	-172.1	68.2	0	0	0	0	114.6	I203 L209 R212 W239 M295 D296 G301 L335 C445 L447	I203-T299 HydrophobicContact CD1-CG2 3.55Å; I203-T299 HydrophobicContact CG1-CG2 3.74Å; L209-T299 HydrophobicContact CD2-CG2 3.63Å; L209-T299 HydrophobicContact CG-CG2 4.15Å; R212-T299 PolarHBondContact NH1-O 2.92Å; W239-T299 WeakPolarHBondContact CZ2-O 3.41Å; M295-T299 VanDerWaalsContact O-CB 3.31Å; M295-T299 WeakPolarHBondContact O-CB 3.11Å; M295-T299 VanDerWaalsContact O-CG2 3.29Å; M295-T299 WeakPolarHBondContact O-CG2 3.42Å; M295-T299 PolarHBondContact O-N 3.24Å; M295-T299 PolarHBondContact O-OG1 2.95Å; D296-T299 PolarHBondContact O-N 2.99Å; T299-G301 PolarHBondContact O-N 3.44Å; T299-G301 PolarHBondContact OG1-N 3.05Å; T299-L335 HydrophobicContact CG2-CD1 3.86Å; T299-C445 PolarHBondContact OG1-SG 3.23Å; T299-L447 HydrophobicContact CG2-CD2 4.39Å
300	G	91.4	Very high	91.2	Very high	1 Å²	1	14 Å²	14	1%	0.01	10%	0.095	C	C	.	.	S	Bend	trans	70.7	10.6	-164.9	0	0	0	0	0	114.2	W234 D296 T448	W234-G300 VanDerWaalsContact CD1-CA 3.45Å; D296-G300 WeakPolarHBondContact O-CA 3.49Å; D296-G300 PolarHBondContact O-N 3.34Å; G300-T448 PolarHBondContact O-OG1 3.14Å
301	G	92.7	Very high	91	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.01	9%	0.085	C	C	.	.			trans	-73.1	-174.5	175.5	0	0	0	0	0	113.4	T299 H446 R605	T299-G301 PolarHBondContact O-N 3.44Å; T299-G301 PolarHBondContact OG1-N 3.05Å; G301-H446 CarbonylContact C-O 3.56Å; G301-H446 WeakPolarHBondContact CA-O 3.34Å; G301-R605 PolarHBondContact O-NH1 3.39Å
302	L	95.2	Very high	90.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	119.6	176.3	179.6	160.7	0	0	0	108.7	H446 V517 A519 V577 R605 L607	L302-H446 PolarHBondContact N-O 2.88Å; L302-H446 PolarHBondContact O-N 2.77Å; L302-V517 HydrophobicContact CD2-CG1 3.93Å; L302-A519 HydrophobicContact CD1-CB 3.53Å; L302-A519 HydrophobicContact CD2-CB 4.29Å; L302-A519 HydrophobicContact CG-CB 3.9Å; L302-V577 HydrophobicContact CD2-CG1 3.98Å; L302-R605 HydrophobicContact CD1-CB 3.76Å; L302-L607 HydrophobicContact CB-CD1 4.19Å; L302-L607 HydrophobicContact CD1-CD1 4.1Å; L302-L607 HydrophobicContact CD1-CD2 4.24Å; L302-L607 HydrophobicContact CD1-CG 3.87Å; L302-L607 HydrophobicContact CD2-CD1 3.88Å; L302-L607 HydrophobicContact CD2-CG 4.48Å; L302-L607 HydrophobicContact CG-CD1 4.28Å
303	T	95.8	Very high	89.6	Confident	6 Å²	6	17.9 Å²	17.9	4%	0.037	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	126.4	-176.6	-56.3	0	0	0	0	113.2	G292 M295 D296 D443 I444 C445 V577	G292-T303 PolarHBondContact O-OG1 3.03Å; M295-T303 HydrophobicContact CE-CG2 3.55Å; D296-T303 WeakPolarHBondContact OD1-CB 3.41Å; D296-T303 PolarHBondContact OD1-N 3.34Å; D296-T303 PolarHBondContact OD1-OG1 3.03Å; T303-D443 HydrophobicContact CG2-CB 4.06Å; T303-I444 CarbonylContact C-O 3.51Å; T303-I444 VanDerWaalsContact CA-O 3.32Å; T303-I444 WeakPolarHBondContact CA-O 3.41Å; T303-C445 WeakPolarHBondContact OG1-CB 3.13Å; T303-V577 WeakPolarHBondContact O-CG2 3.15Å
304	E	95.2	Very high	88.7	Confident	3 Å²	3	24.5 Å²	24.5	1%	0.014	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	128	161.2	-76	170.6	-118	0	0	110.2	Y306 D443 I444 H446 V517 V577 R579	E304-Y306 HydrophobicContact CB-CE2 3.93Å; E304-Y306 PolarHBondContact OE2-OH 2.83Å; E304-D443 CarbonylContact O-C 3.32Å; E304-D443 WeakPolarHBondContact O-CA 3.46Å; E304-I444 PolarHBondContact N-O 3.44Å; E304-I444 PolarHBondContact O-N 3.21Å; E304-H446 IonicContact OE1-CD2 3.92Å; E304-H446 PolarHBondContact OE1-CD2 2.93Å; E304-H446 VanDerWaalsContact OE1-CD2 3.31Å; E304-H446 IonicContact OE1-NE2 2.85Å; E304-H446 PolarHBondContact OE1-NE2 3.14Å; E304-V517 HydrophobicContact CG-CG1 4.06Å; E304-V517 WeakPolarHBondContact OE1-CG1 3.41Å; E304-V517 VanDerWaalsContact OE1-CG2 3.3Å; E304-V517 WeakPolarHBondContact OE1-CG2 3.41Å; E304-V577 HydrophobicContact CG-CG1 3.64Å; E304-R579 VanDerWaalsContact CD-NH2 3.34Å; E304-R579 IonicContact OE1-CZ 3.68Å; E304-R579 IonicContact OE1-NE 3.25Å; E304-R579 IonicContact OE1-NH2 3.27Å; E304-R579 PolarHBondContact OE1-NH2 2.98Å; E304-R579 IonicContact OE2-CZ 2.73Å; E304-R579 IonicContact OE2-NE 3.59Å; E304-R579 PolarHBondContact OE2-NE 3.33Å; E304-R579 IonicContact OE2-NH2 3.56Å; E304-R579 PolarHBondContact OE2-NH2 3.47Å
305	S	93.6	Very high	88.2	Confident	49 Å²	49	25 Å²	25	34%	0.343	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	121.5	178.8	-64	0	0	0	0	110.6	L442 D443	S305-L442 WeakPolarHBondContact CA-O 3.5Å; S305-D443 VanDerWaalsContact CB-OD1 3.23Å; S305-D443 WeakPolarHBondContact CB-OD1 3.4Å; S305-D443 PolarHBondContact OG-OD1 2.85Å
306	Y	93.1	Very high	87.8	Confident	5 Å²	5	27.4 Å²	27.4	2%	0.02	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	140	177.6	-62.4	-70.2	0	0	0	110.7	E304 L316 P318 Y441 L442 I444	E304-Y306 HydrophobicContact CB-CE2 3.93Å; E304-Y306 PolarHBondContact OE2-OH 2.83Å; Y306-L316 CarbonylContact C-O 3.59Å; Y306-L316 VanDerWaalsContact CA-O 3.32Å; Y306-L316 WeakPolarHBondContact CA-O 3.36Å; Y306-L316 HydrophobicContact CD1-CD2 3.99Å; Y306-L316 HydrophobicContact CD1-CG 3.95Å; Y306-L316 HydrophobicContact CE1-CD2 3.76Å; Y306-L316 HydrophobicContact CE1-CG 4.04Å; Y306-P318 HydrophobicContact CD1-CB 4.21Å; Y306-P318 HydrophobicContact CG-CB 4.16Å; Y306-Y441 WeakPolarHBondContact O-CA 3.29Å; Y306-L442 HydrophobicContact CD2-CD2 4.4Å; Y306-L442 PolarHBondContact N-O 3.27Å; Y306-L442 PolarHBondContact O-N 3.05Å; Y306-I444 HydrophobicContact CD2-CD1 4.43Å; Y306-I444 HydrophobicContact CE2-CD1 4.16Å
307	T	91.5	Very high	87.5	Confident	8 Å²	8	31.4 Å²	31.4	5%	0.049	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	119	166	-55.7	0	0	0	0	107.2	A311 D313 G315 L316 Q317 P318 D440 Y441	T307-A311 HydrophobicContact CG2-CB 3.56Å; T307-D313 HydrophobicContact CG2-CB 4.28Å; T307-D313 VanDerWaalsContact CG2-O 3.27Å; T307-D313 WeakPolarHBondContact CG2-O 3.4Å; T307-G315 WeakPolarHBondContact OG1-CA 3.45Å; T307-L316 PolarHBondContact N-O 3.48Å; T307-Q317 VanDerWaalsContact O-CD 3.28Å; T307-Q317 PolarHBondContact O-NE2 2.78Å; T307-Q317 VanDerWaalsContact O-NE2 3.08Å; T307-Q317 PolarHBondContact O-OE1 3.38Å; T307-P318 WeakPolarHBondContact O-CD 3.42Å; T307-D440 CarbonylContact C-O 3.56Å; T307-D440 WeakPolarHBondContact CA-O 3.16Å; T307-Y441 HydrophobicContact CG2-CD1 4.37Å; T307-Y441 HydrophobicContact CG2-CE1 4.26Å
308	L	90.9	Very high	87.3	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.188	C	C	.	.			trans	-75.7	152.7	-175.5	-64.4	174.2	0	0	0	110	G310 A311 P318 F435 F439 D440 L442	L308-G310 PolarHBondContact O-N 2.67Å; L308-G310 VanDerWaalsContact O-N 3.09Å; L308-A311 VanDerWaalsContact O-CB 3.25Å; L308-A311 WeakPolarHBondContact O-CB 3.19Å; L308-A311 PolarHBondContact O-N 3.11Å; L308-P318 HydrophobicContact CD2-CG 3.94Å; L308-F435 HydrophobicContact CD1-CE1 3.87Å; L308-F435 HydrophobicContact CD1-CZ 4.01Å; L308-F439 VanDerWaalsContact CB-O 3.27Å; L308-F439 WeakPolarHBondContact CB-O 3.02Å; L308-F439 HydrophobicContact CD1-CB 3.49Å; L308-F439 VanDerWaalsContact CD1-CB 3.49Å; L308-F439 VanDerWaalsContact CD1-O 3.3Å; L308-F439 WeakPolarHBondContact CD1-O 3.47Å; L308-D440 PolarHBondContact N-O 3.04Å; L308-L442 HydrophobicContact CD1-CB 4.48Å; L308-L442 HydrophobicContact CD2-CB 4.34Å; L308-L442 HydrophobicContact CG-CB 4.46Å
309	P	84.7	Confident	87.2	Confident	82 Å²	82	34.4 Å²	34.4	53%	0.532	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-25.9	-176	-25.6	33.7	0	0	0	115	A311 I436	P309-A311 PolarHBondContact O-N 3.21Å; P309-I436 HydrophobicContact CG-CG2 3.94Å
310	G	75.4	Confident	87.1	Confident	47 Å²	47	39.2 Å²	39.2	49%	0.485	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-15	176.4	0	0	0	0	0	114.2	L308	L308-G310 PolarHBondContact O-N 2.67Å; L308-G310 VanDerWaalsContact O-N 3.09Å
311	A	80.1	Confident	87.1	Confident	16 Å²	16	41.1 Å²	41.1	13%	0.132	25%	0.25	C	C	.	.	S	Bend	trans	-74.4	144.8	-177.5	0	0	0	0	0	112.5	T307 L308 P309 D313 D440	T307-A311 HydrophobicContact CG2-CB 3.56Å; L308-A311 VanDerWaalsContact O-CB 3.25Å; L308-A311 WeakPolarHBondContact O-CB 3.19Å; L308-A311 PolarHBondContact O-N 3.11Å; P309-A311 PolarHBondContact O-N 3.21Å; A311-D313 PolarHBondContact O-N 2.96Å; A311-D440 VanDerWaalsContact CA-OD1 3.31Å; A311-D440 WeakPolarHBondContact CA-OD1 3.4Å; A311-D440 HydrophobicContact CB-CB 3.88Å
312	E	73.4	Confident	87.1	Confident	125 Å²	125	41.3 Å²	41.3	58%	0.584	25%	0.251	S	S	*	.	S	Bend	trans	-66.9	-23.5	171.9	-64.4	-175.1	166.2	0	0	112.5
313	D	76.1	Confident	87.1	Confident	14 Å²	14	41.5 Å²	41.5	8%	0.075	25%	0.252	C	S	.	.	S	Bend	trans	-83.8	143.3	-173.7	-66	-12.1	0	0	0	112.6	M55 T307 A311 G315 K341 Y441	M55-D313 HydrophobicContact SD-CB 4.45Å; T307-D313 HydrophobicContact CG2-CB 4.28Å; T307-D313 VanDerWaalsContact CG2-O 3.27Å; T307-D313 WeakPolarHBondContact CG2-O 3.4Å; A311-D313 PolarHBondContact O-N 2.96Å; D313-G315 PolarHBondContact O-N 3.1Å; D313-K341 IonicContact OD1-NZ 3.29Å; D313-K341 PolarHBondContact OD1-NZ 2.97Å; D313-K341 IonicContact OD2-NZ 3.74Å; D313-K341 PolarHBondContact OD2-NZ 3.46Å; D313-Y441 PolarHBondContact OD2-OH 3.14Å
314	H	74.3	Confident	86.9	Confident	154 Å²	154	44.2 Å²	44.2	71%	0.713	27%	0.266	S	S	*	.			trans	-89.4	86.6	174	-61.4	-49.4	0	0	0	111.7	K50	K50-H314 PolarHBondContact NZ-O 3.27Å
315	G	81.2	Confident	86.8	Confident	12 Å²	12	44.5 Å²	44.5	12%	0.124	27%	0.268	C	S	.	.			trans	-114.3	-168.3	173.8	0	0	0	0	0	114.6	T307 D313 Q317	T307-G315 WeakPolarHBondContact OG1-CA 3.45Å; D313-G315 PolarHBondContact O-N 3.1Å; G315-Q317 PolarHBondContact O-N 3.04Å
316	L	84.8	Confident	86.9	Confident	50 Å²	50	42.1 Å²	42.1	26%	0.262	25%	0.251	S	S	.	.			trans	-67.6	115.8	176.5	-179	65.3	0	0	0	109.4	Y306 T307 D568	Y306-L316 CarbonylContact C-O 3.59Å; Y306-L316 VanDerWaalsContact CA-O 3.32Å; Y306-L316 WeakPolarHBondContact CA-O 3.36Å; Y306-L316 HydrophobicContact CD1-CD2 3.99Å; Y306-L316 HydrophobicContact CD1-CG 3.95Å; Y306-L316 HydrophobicContact CE1-CD2 3.76Å; Y306-L316 HydrophobicContact CE1-CG 4.04Å; T307-L316 PolarHBondContact N-O 3.48Å; L316-D568 WeakPolarHBondContact CD1-OD2 3.22Å
317	Q	88.7	Confident	86.8	Confident	85 Å²	85	44 Å²	44	40%	0.397	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-75.1	145.9	177.3	-63.9	-61.1	-53	0	0	110.5	T307 G315	T307-Q317 VanDerWaalsContact O-CD 3.28Å; T307-Q317 PolarHBondContact O-NE2 2.78Å; T307-Q317 VanDerWaalsContact O-NE2 3.08Å; T307-Q317 PolarHBondContact O-OE1 3.38Å; G315-Q317 PolarHBondContact O-N 3.04Å
318	P	90.8	Very high	86.7	Confident	24 Å²	24	46.5 Å²	46.5	16%	0.156	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-64.2	147.8	174.5	29.3	-36.3	0	0	0	111.2	Y306 T307 L308 L322	Y306-P318 HydrophobicContact CD1-CB 4.21Å; Y306-P318 HydrophobicContact CG-CB 4.16Å; T307-P318 WeakPolarHBondContact O-CD 3.42Å; L308-P318 HydrophobicContact CD2-CG 3.94Å; P318-L322 HydrophobicContact CB-CB 4.4Å; P318-L322 HydrophobicContact CB-CD1 4.04Å; P318-L322 HydrophobicContact CB-CD2 3.87Å; P318-L322 HydrophobicContact CB-CG 4.32Å; P318-L322 HydrophobicContact CG-CD2 4.3Å
319	P	90.6	Very high	86.8	Confident	40 Å²	40	46.6 Å²	46.6	26%	0.26	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-59.9	158.1	169.6	-25.2	36.7	0	0	0	112.6	D321 L322 I325	P319-D321 WeakPolarHBondContact CB-OD1 3.3Å; P319-D321 PolarHBondContact O-N 3.14Å; P319-L322 WeakPolarHBondContact O-CB 3.34Å; P319-L322 PolarHBondContact O-N 2.89Å; P319-I325 HydrophobicContact CB-CD1 3.91Å; P319-I325 HydrophobicContact CG-CD1 3.67Å
320	A	89.5	Confident	86.9	Confident	102 Å²	102	44.5 Å²	44.5	84%	0.843	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-26.1	179.2	0	0	0	0	0	113.2	L322	A320-L322 VanDerWaalsContact C-N 3.3Å; A320-L322 PolarHBondContact O-N 3.27Å
321	D	90.5	Very high	87.4	Confident	40 Å²	40	47.4 Å²	47.4	21%	0.214	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	31.6	176.7	58.7	-23.8	0	0	0	112.8	P319 D323 D324 I325 K581	P319-D321 WeakPolarHBondContact CB-OD1 3.3Å; P319-D321 PolarHBondContact O-N 3.14Å; D321-D323 PolarHBondContact O-N 2.99Å; D321-D324 PolarHBondContact O-N 3.06Å; D321-D324 VanDerWaalsContact O-N 3.08Å; D321-I325 PolarHBondContact O-N 2.99Å; D321-I325 VanDerWaalsContact O-N 3.08Å; D321-K581 WeakPolarHBondContact OD2-CE 3.43Å; D321-K581 IonicContact OD2-NZ 2.9Å; D321-K581 PolarHBondContact OD2-NZ 3.3Å
322	L	94	Very high	87.6	Confident	5 Å²	5	48.8 Å²	48.8	3%	0.026	26%	0.261	C	S	.	.	H	α-helix	trans	-54	-37.3	179.8	-179.9	62.3	0	0	0	113.2	P318 P319 A320 I325 L326 L432 I436 L442	P318-L322 HydrophobicContact CB-CB 4.4Å; P318-L322 HydrophobicContact CB-CD1 4.04Å; P318-L322 HydrophobicContact CB-CD2 3.87Å; P318-L322 HydrophobicContact CB-CG 4.32Å; P318-L322 HydrophobicContact CG-CD2 4.3Å; P319-L322 WeakPolarHBondContact O-CB 3.34Å; P319-L322 PolarHBondContact O-N 2.89Å; A320-L322 VanDerWaalsContact C-N 3.3Å; A320-L322 PolarHBondContact O-N 3.27Å; L322-I325 PolarHBondContact O-N 3.47Å; L322-L326 HydrophobicContact CD1-CG 4.25Å; L322-L326 HydrophobicContact CG-CD1 4.13Å; L322-L326 HydrophobicContact CG-CG 4.29Å; L322-L326 WeakPolarHBondContact O-CB 3.49Å; L322-L326 VanDerWaalsContact O-CG 3.29Å; L322-L326 WeakPolarHBondContact O-CG 3.23Å; L322-L326 PolarHBondContact O-N 3.08Å; L322-L432 HydrophobicContact CD2-CD1 4.49Å; L322-I436 HydrophobicContact CD2-CD1 4.28Å; L322-I436 HydrophobicContact CD2-CG1 4.41Å; L322-L442 HydrophobicContact CD1-CD2 3.77Å; L322-L442 HydrophobicContact CD2-CD2 4.11Å; L322-L442 HydrophobicContact CG-CD2 4.47Å
323	D	93.8	Very high	88.1	Confident	5 Å²	5	47.3 Å²	47.3	3%	0.027	25%	0.25	C	C	.	.	H	α-helix	trans	-60.9	-44.4	176.9	54.3	-25.3	0	0	0	112.2	D321 I325 L326 I327 K369 R382 L432	D321-D323 PolarHBondContact O-N 2.99Å; D323-I325 VanDerWaalsContact C-N 3.33Å; D323-L326 PolarHBondContact O-N 3.16Å; D323-I327 WeakPolarHBondContact O-CD1 3.5Å; D323-I327 VanDerWaalsContact O-CG1 3.23Å; D323-I327 WeakPolarHBondContact O-CG1 3.41Å; D323-I327 PolarHBondContact O-N 3.33Å; D323-K369 IonicContact OD1-NZ 2.78Å; D323-K369 VanDerWaalsContact OD2-CD 3.28Å; D323-K369 WeakPolarHBondContact OD2-CD 3.11Å; D323-K369 WeakPolarHBondContact OD2-CE 3.42Å; D323-K369 IonicContact OD2-NZ 2.78Å; D323-K369 PolarHBondContact OD2-NZ 3.26Å; D323-R382 WeakPolarHBondContact OD2-CD 3.33Å; D323-L432 HydrophobicContact CB-CD2 3.73Å
324	D	91.8	Very high	88.8	Confident	62 Å²	62	47 Å²	47	33%	0.332	25%	0.248	S	C	.	.	H	α-helix	trans	-68.5	-35.6	177.6	-63.5	-30.2	0	0	0	111	D321 K328 K369	D321-D324 PolarHBondContact O-N 3.06Å; D321-D324 VanDerWaalsContact O-N 3.08Å; D324-K328 VanDerWaalsContact O-CB 3.26Å; D324-K328 WeakPolarHBondContact O-CB 3.06Å; D324-K328 VanDerWaalsContact O-CG 3.27Å; D324-K328 WeakPolarHBondContact O-CG 3.17Å; D324-K328 PolarHBondContact O-N 3.29Å; D324-K369 VanDerWaalsContact CG-NZ 3.33Å; D324-K369 IonicContact OD1-NZ 3.19Å; D324-K369 PolarHBondContact OD1-NZ 3.4Å; D324-K369 IonicContact OD2-NZ 3.37Å; D324-K369 PolarHBondContact OD2-NZ 3.39Å
325	I	93.5	Very high	89.6	Confident	9 Å²	9	39.8 Å²	39.8	5%	0.046	22%	0.215	C	C	.	.	H	α-helix	trans	-62.5	-47.7	172.4	-64.6	169.7	0	0	0	110.6	P319 D321 L322 D323 K328 S329 I444	P319-I325 HydrophobicContact CB-CD1 3.91Å; P319-I325 HydrophobicContact CG-CD1 3.67Å; D321-I325 PolarHBondContact O-N 2.99Å; D321-I325 VanDerWaalsContact O-N 3.08Å; L322-I325 PolarHBondContact O-N 3.47Å; D323-I325 VanDerWaalsContact C-N 3.33Å; I325-K328 PolarHBondContact O-N 3.48Å; I325-S329 VanDerWaalsContact O-CB 3.27Å; I325-S329 WeakPolarHBondContact O-CB 3.43Å; I325-S329 PolarHBondContact O-N 3.38Å; I325-S329 PolarHBondContact O-OG 3.41Å; I325-I444 HydrophobicContact CG2-CD1 4.06Å
326	L	95.3	Very high	90.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.9	-47	179.3	-72.3	173.8	0	0	0	111.2	L322 D323 K328 S329 F330 I336 L364 C367 V384 L432 L442 I444	L322-L326 HydrophobicContact CD1-CG 4.25Å; L322-L326 HydrophobicContact CG-CD1 4.13Å; L322-L326 HydrophobicContact CG-CG 4.29Å; L322-L326 WeakPolarHBondContact O-CB 3.49Å; L322-L326 VanDerWaalsContact O-CG 3.29Å; L322-L326 WeakPolarHBondContact O-CG 3.23Å; L322-L326 PolarHBondContact O-N 3.08Å; D323-L326 PolarHBondContact O-N 3.16Å; L326-K328 PolarHBondContact O-N 3.27Å; L326-S329 WeakPolarHBondContact O-CA 3.25Å; L326-S329 WeakPolarHBondContact O-CB 3.39Å; L326-S329 PolarHBondContact O-N 3.02Å; L326-S329 VanDerWaalsContact O-N 3.08Å; L326-F330 HydrophobicContact CB-CE2 4.37Å; L326-F330 WeakPolarHBondContact O-CD2 3.46Å; L326-F330 PolarHBondContact O-N 3.45Å; L326-I336 HydrophobicContact CD2-CD1 3.85Å; L326-I336 HydrophobicContact CD2-CG2 4.15Å; L326-L364 HydrophobicContact CD1-CD2 4.46Å; L326-L364 HydrophobicContact CD2-CD2 4.3Å; L326-C367 HydrophobicContact CB-CB 3.94Å; L326-V384 HydrophobicContact CD1-CG1 4.2Å; L326-L432 HydrophobicContact CD1-CD1 4.08Å; L326-L442 HydrophobicContact CD2-CD2 4.37Å; L326-I444 HydrophobicContact CD2-CD1 4.01Å
327	I	92	Very high	90.5	Very high	45 Å²	45	37.1 Å²	37.1	23%	0.231	20%	0.198	C	C	.	.	H	α-helix	trans	-57.9	-52.3	177.3	-69	163.8	0	0	0	110.5	D323 S329 F330 D331 C367 K369	D323-I327 WeakPolarHBondContact O-CD1 3.5Å; D323-I327 VanDerWaalsContact O-CG1 3.23Å; D323-I327 WeakPolarHBondContact O-CG1 3.41Å; D323-I327 PolarHBondContact O-N 3.33Å; I327-S329 PolarHBondContact O-N 3.42Å; I327-F330 PolarHBondContact O-N 3.46Å; I327-F330 VanDerWaalsContact O-N 3.13Å; I327-D331 PolarHBondContact O-N 2.94Å; I327-C367 HydrophobicContact CG1-CB 4.24Å; I327-K369 HydrophobicContact CD1-CB 3.79Å; I327-K369 HydrophobicContact CD1-CD 4.46Å
328	K	90.1	Very high	90.7	Very high	60 Å²	60	33.1 Å²	33.1	26%	0.261	18%	0.179	S	C	.	.	H	α-helix	trans	-57	-32.8	175.6	-80.5	-179.1	-179.7	-170.9	0	112.9	D324 I325 L326 R332 D609	D324-K328 VanDerWaalsContact O-CB 3.26Å; D324-K328 WeakPolarHBondContact O-CB 3.06Å; D324-K328 VanDerWaalsContact O-CG 3.27Å; D324-K328 WeakPolarHBondContact O-CG 3.17Å; D324-K328 PolarHBondContact O-N 3.29Å; I325-K328 PolarHBondContact O-N 3.48Å; L326-K328 PolarHBondContact O-N 3.27Å; K328-R332 WeakPolarHBondContact O-CG 3.49Å; K328-R332 PolarHBondContact O-N 3.03Å; K328-R332 PolarHBondContact O-NH1 3.04Å; K328-D609 IonicContact NZ-OD2 3.92Å; K328-D609 PolarHBondContact NZ-OD2 3.36Å
329	S	91.8	Very high	90.5	Very high	1 Å²	1	34 Å²	34	1%	0.007	18%	0.18	C	C	.	.	H	α-helix	trans	-72.7	-40.5	179.3	-60.8	0	0	0	0	111.5	I325 L326 I327 R332 R333 S334 H446	I325-S329 VanDerWaalsContact O-CB 3.27Å; I325-S329 WeakPolarHBondContact O-CB 3.43Å; I325-S329 PolarHBondContact O-N 3.38Å; I325-S329 PolarHBondContact O-OG 3.41Å; L326-S329 WeakPolarHBondContact O-CA 3.25Å; L326-S329 WeakPolarHBondContact O-CB 3.39Å; L326-S329 PolarHBondContact O-N 3.02Å; L326-S329 VanDerWaalsContact O-N 3.08Å; I327-S329 PolarHBondContact O-N 3.42Å; S329-R332 CarbonylContact O-C 3.48Å; S329-R332 PolarHBondContact O-N 2.75Å; S329-R333 PolarHBondContact O-N 2.73Å; S329-R333 VanDerWaalsContact O-N 3.12Å; S329-S334 WeakPolarHBondContact O-CB 3.42Å; S329-S334 PolarHBondContact O-N 2.89Å; S329-S334 PolarHBondContact O-OG 2.83Å; S329-S334 VanDerWaalsContact O-OG 3.08Å; S329-H446 PolarHBondContact OG-CE1 2.91Å
330	F	88.4	Confident	90.1	Very high	39 Å²	39	32.7 Å²	32.7	17%	0.171	17%	0.171	C	C	.	.	H	α-helix	trans	-66.1	-43.8	174.4	-75	-61.1	0	0	0	112.6	L326 I327 R332 R333 I336 L364 T365 C367	L326-F330 HydrophobicContact CB-CE2 4.37Å; L326-F330 WeakPolarHBondContact O-CD2 3.46Å; L326-F330 PolarHBondContact O-N 3.45Å; I327-F330 PolarHBondContact O-N 3.46Å; I327-F330 VanDerWaalsContact O-N 3.13Å; F330-R332 PolarHBondContact O-N 2.49Å; F330-R332 VanDerWaalsContact O-N 3.1Å; F330-R333 PolarHBondContact O-N 3.27Å; F330-I336 HydrophobicContact CD1-CD1 4.32Å; F330-I336 HydrophobicContact CD2-CD1 4.35Å; F330-I336 HydrophobicContact CE1-CD1 3.91Å; F330-I336 HydrophobicContact CE2-CD1 3.92Å; F330-I336 HydrophobicContact CZ-CD1 3.7Å; F330-L364 VanDerWaalsContact CE1-O 3.31Å; F330-L364 WeakPolarHBondContact CE1-O 3.36Å; F330-L364 HydrophobicContact CZ-CB 3.91Å; F330-T365 VanDerWaalsContact CE1-C 3.45Å; F330-C367 HydrophobicContact CD2-CB 3.79Å; F330-C367 HydrophobicContact CE2-CB 3.51Å
331	D	84.9	Confident	89.4	Confident	108 Å²	108	30.9 Å²	30.9	58%	0.578	14%	0.144	S	C	*	.	H	α-helix	trans	-56.6	-29.1	175.5	-70.7	-21.1	0	0	0	111.8	I327	I327-D331 PolarHBondContact O-N 2.94Å
332	R	84	Confident	87.8	Confident	44 Å²	44	31.2 Å²	31.2	17%	0.166	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	12.3	178.5	-62.4	-176.1	177.7	99.7	-20.7	114.2	K328 S329 F330 S334 H465 F467 D609	K328-R332 WeakPolarHBondContact O-CG 3.49Å; K328-R332 PolarHBondContact O-N 3.03Å; K328-R332 PolarHBondContact O-NH1 3.04Å; S329-R332 CarbonylContact O-C 3.48Å; S329-R332 PolarHBondContact O-N 2.75Å; F330-R332 PolarHBondContact O-N 2.49Å; F330-R332 VanDerWaalsContact O-N 3.1Å; R332-S334 PolarHBondContact O-N 3.32Å; R332-H465 WeakPolarHBondContact CG-O 3.45Å; R332-F467 HydrophobicContact CB-CD2 4.38Å; R332-F467 HydrophobicContact CB-CE2 3.88Å; R332-F467 HydrophobicContact CG-CE2 4.25Å; R332-D609 IonicContact CZ-OD1 2.85Å; R332-D609 IonicContact NH1-OD1 3.76Å; R332-D609 IonicContact NH2-OD1 2.9Å; R332-D609 PolarHBondContact NH2-OD1 2.75Å
333	R	83.7	Confident	86	Confident	95 Å²	95	37 Å²	37	36%	0.358	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	30.5	177.4	-56.2	-174	175.6	-172.7	1.2	115	Q206 S329 F330 L447 Y461 L464	Q206-R333 PolarHBondContact NE2-O 2.92Å; S329-R333 PolarHBondContact O-N 2.73Å; S329-R333 VanDerWaalsContact O-N 3.12Å; F330-R333 PolarHBondContact O-N 3.27Å; R333-L447 WeakPolarHBondContact O-CD1 3.44Å; R333-Y461 VanDerWaalsContact NH1-CE1 3.34Å; R333-L464 VanDerWaalsContact NH2-CD1 3.29Å
334	S	91.1	Very high	83.9	Confident	6 Å²	6	39.2 Å²	39.2	4%	0.042	20%	0.196	C	C	.	.			trans	-59.2	147.2	171.9	-52.3	0	0	0	0	109.9	S329 R332 C445 H446	S329-S334 WeakPolarHBondContact O-CB 3.42Å; S329-S334 PolarHBondContact O-N 2.89Å; S329-S334 PolarHBondContact O-OG 2.83Å; S329-S334 VanDerWaalsContact O-OG 3.08Å; R332-S334 PolarHBondContact O-N 3.32Å; S334-C445 CarbonylContact C-O 3.49Å; S334-C445 VanDerWaalsContact CA-O 3.28Å; S334-C445 WeakPolarHBondContact CA-O 3.25Å; S334-C445 WeakPolarHBondContact CB-O 3.23Å; S334-H446 PolarHBondContact OG-ND1 3.15Å
335	L	91.3	Very high	82.3	Confident	4 Å²	4	43 Å²	43	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	130.4	171.5	-60.6	174.6	0	0	0	108.6	I203 Q206 L209 M295 T299 C445	I203-L335 HydrophobicContact CB-CD1 4.38Å; I203-L335 HydrophobicContact CG1-CD1 3.43Å; I203-L335 VanDerWaalsContact CG1-CD1 3.43Å; Q206-L335 VanDerWaalsContact CD-CD2 3.45Å; Q206-L335 HydrophobicContact CG-CD2 3.99Å; L209-L335 HydrophobicContact CD2-CD1 3.75Å; L209-L335 HydrophobicContact CD2-CD2 4.49Å; L209-L335 HydrophobicContact CD2-CG 4.28Å; M295-L335 HydrophobicContact SD-CB 4.4Å; T299-L335 HydrophobicContact CG2-CD1 3.86Å; L335-C445 HydrophobicContact CB-CB 4.19Å; L335-C445 PolarHBondContact N-O 2.9Å; L335-C445 PolarHBondContact O-N 3.03Å
336	I	93.4	Very high	80.9	Confident	6 Å²	6	45.2 Å²	45.2	3%	0.031	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	122.3	-175.3	-53.5	178.1	0	0	0	108.6	L326 F330 G363 L364 L442 D443 I444	L326-I336 HydrophobicContact CD2-CD1 3.85Å; L326-I336 HydrophobicContact CD2-CG2 4.15Å; F330-I336 HydrophobicContact CD1-CD1 4.32Å; F330-I336 HydrophobicContact CD2-CD1 4.35Å; F330-I336 HydrophobicContact CE1-CD1 3.91Å; F330-I336 HydrophobicContact CE2-CD1 3.92Å; F330-I336 HydrophobicContact CZ-CD1 3.7Å; I336-G363 WeakPolarHBondContact O-CA 3.34Å; I336-L364 HydrophobicContact CB-CB 4.01Å; I336-L364 HydrophobicContact CG2-CB 3.78Å; I336-L364 HydrophobicContact CG2-CD1 4.25Å; I336-L364 HydrophobicContact CG2-CD2 3.94Å; I336-L364 HydrophobicContact CG2-CG 4.2Å; I336-L364 PolarHBondContact O-N 2.77Å; I336-L442 HydrophobicContact CG2-CD1 3.51Å; I336-D443 WeakPolarHBondContact CA-O 3.37Å; I336-I444 HydrophobicContact CG1-CG1 4.49Å; I336-I444 HydrophobicContact CG1-CG2 4.2Å; I336-I444 HydrophobicContact CG2-CG1 4.19Å
337	T	92.4	Very high	79.6	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	145.3	177.8	66.6	0	0	0	0	110.9	A202 M295 F362 L389 D443	A202-T337 HydrophobicContact CB-CG2 3.4Å; M295-T337 HydrophobicContact SD-CG2 4.1Å; T337-F362 CarbonylContact C-O 3.4Å; T337-F362 WeakPolarHBondContact CA-O 3.24Å; T337-L389 HydrophobicContact CG2-CD1 4.38Å; T337-D443 PolarHBondContact N-O 2.76Å; T337-D443 PolarHBondContact O-N 3.04Å
338	A	91.3	Very high	78.5	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	152.2	174	0	0	0	0	0	111.1	A361 F362 L364 F435 F439 Y441	A338-A361 CarbonylContact O-C 3.53Å; A338-A361 WeakPolarHBondContact O-CA 3.49Å; A338-F362 PolarHBondContact N-O 3.12Å; A338-F362 PolarHBondContact O-N 2.84Å; A338-L364 HydrophobicContact CB-CD1 3.55Å; A338-F435 HydrophobicContact CB-CE2 3.5Å; A338-F435 VanDerWaalsContact CB-CE2 3.5Å; A338-F435 HydrophobicContact CB-CZ 3.63Å; A338-F439 HydrophobicContact CB-CD1 3.52Å; A338-F439 HydrophobicContact CB-CE1 3.92Å; A338-F439 HydrophobicContact CB-CG 4.27Å; A338-Y441 CarbonylContact C-O 3.33Å; A338-Y441 WeakPolarHBondContact CA-O 3.42Å; A338-Y441 WeakPolarHBondContact CB-O 3.23Å
339	R	87	Confident	77.8	Confident	42 Å²	42	48.3 Å²	48.3	16%	0.158	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	152	-175.8	-71.3	178.7	-66.1	106.3	5.1	112	A361 D440 Y441 D443	R339-A361 HydrophobicContact CG-CB 3.48Å; R339-A361 VanDerWaalsContact CG-CB 3.48Å; R339-D440 PolarHBondContact O-N 2.85Å; R339-Y441 HydrophobicContact CB-CD2 4.21Å; R339-Y441 PolarHBondContact N-O 2.92Å; R339-Y441 PolarHBondContact O-N 2.83Å; R339-D443 IonicContact NE-OD2 2.77Å; R339-D443 IonicContact NH2-OD2 2.65Å; R339-D443 PolarHBondContact NH2-OD2 3.05Å
340	I	81.8	Confident	77	Confident	14 Å²	14	49 Å²	49	7%	0.072	28%	0.276	C	S	.	.			trans	-111.6	120.9	173.2	-52.8	174.9	0	0	0	108.8	T342 F350 G359 F362 F439 D440	I340-T342 HydrophobicContact CG2-CG2 4.38Å; I340-T342 PolarHBondContact O-N 2.87Å; I340-F350 HydrophobicContact CD1-CE1 4.21Å; I340-F350 HydrophobicContact CD1-CZ 4.22Å; I340-G359 VanDerWaalsContact O-CA 3.29Å; I340-G359 WeakPolarHBondContact O-CA 3.36Å; I340-G359 PolarHBondContact O-N 2.88Å; I340-F362 HydrophobicContact CD1-CE2 4.27Å; I340-F439 HydrophobicContact CD1-CD1 4.43Å; I340-F439 HydrophobicContact CD1-CE1 4.22Å; I340-F439 HydrophobicContact CD1-CZ 4.33Å; I340-F439 HydrophobicContact CG1-CD1 3.79Å; I340-F439 HydrophobicContact CG1-CE1 3.98Å; I340-F439 HydrophobicContact CG1-CG 4.22Å; I340-D440 VanDerWaalsContact CA-OD2 3.27Å; I340-D440 WeakPolarHBondContact CA-OD2 3.36Å
341	K	74.6	Confident	76.2	Confident	63 Å²	63	50.6 Å²	50.6	27%	0.274	29%	0.289	S	S	.	.			trans	-88.1	95.1	174.3	-169.7	-169.9	-165.6	169	0	108.3	D313 K343 D440 Y441	D313-K341 IonicContact OD1-NZ 3.29Å; D313-K341 PolarHBondContact OD1-NZ 2.97Å; D313-K341 IonicContact OD2-NZ 3.74Å; D313-K341 PolarHBondContact OD2-NZ 3.46Å; K341-K343 PolarHBondContact O-N 2.99Å; K341-D440 HydrophobicContact CB-CB 4.07Å; K341-D440 PolarHBondContact N-OD2 3.44Å; K341-Y441 HydrophobicContact CB-CE2 3.93Å; K341-Y441 HydrophobicContact CD-CE2 4.42Å; K341-Y441 WeakPolarHBondContact CD-OH 3.24Å; K341-Y441 HydrophobicContact CG-CE2 4.45Å
342	T	58	Low	75.5	Confident	47 Å²	47	47.6 Å²	47.6	29%	0.288	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	104.8	-177.9	95.3	0	0	0	0	111.8	I340 F356 P358	I340-T342 HydrophobicContact CG2-CG2 4.38Å; I340-T342 PolarHBondContact O-N 2.87Å; T342-F356 HydrophobicContact CG2-CD1 4.26Å; T342-F356 HydrophobicContact CG2-CE1 3.94Å; T342-P358 HydrophobicContact CG2-CB 3.38Å; T342-P358 HydrophobicContact CG2-CG 3.6Å; T342-P358 WeakPolarHBondContact OG1-CB 3.47Å; T342-P358 WeakPolarHBondContact OG1-CG 3.49Å
343	K	55.5	Low	74.4	Confident	127 Å²	127	47.9 Å²	47.9	55%	0.552	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.3	-4.7	138.4	-70.3	-171.9	-178.8	177.4	0	112.2	A58 K341	A58-K343 PolarHBondContact O-NZ 3.3Å; K341-K343 PolarHBondContact O-N 2.99Å
344	G	50.4	Low	73.2	Confident	52 Å²	52	51 Å²	51	54%	0.536	31%	0.309	S	S	.	.	S	Bend	trans	-102.9	158.5	179.1	0	0	0	0	0	114.3
345	V	58.5	Low	71.5	Confident	142 Å²	142	53.8 Å²	53.8	86%	0.861	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-63.9	125.4	165.2	-179.1	0	0	0	0	107.1
346	P	64	Low	70	Confident	54 Å²	54	54.5 Å²	54.5	35%	0.351	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-55.2	146.3	176.2	22.1	-32	0	0	0	110.3	F350 I352	P346-F350 HydrophobicContact CB-CB 3.78Å; P346-I352 HydrophobicContact CB-CD1 3.71Å; P346-I352 HydrophobicContact CB-CG1 4.31Å; P346-I352 HydrophobicContact CG-CD1 3.77Å; P346-I352 HydrophobicContact CG-CG1 4.14Å
347	G	67.5	Low	68.4	Low	23 Å²	23	58.1 Å²	58.1	24%	0.237	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-62.8	166.5	179.4	0	0	0	0	0	112.3	G349 F350 N438	G347-G349 PolarHBondContact O-N 3.14Å; G347-F350 PolarHBondContact O-N 3.1Å; G347-N438 WeakPolarHBondContact CA-OD1 3.34Å; G347-N438 PolarHBondContact N-OD1 3.03Å; G347-N438 VanDerWaalsContact N-OD1 3.11Å
348	P	70.1	Confident	67	Low	125 Å²	125	61 Å²	61	81%	0.812	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	129.6	-178.4	-24.4	33.1	0	0	0	112	W397	P348-W397 WeakPolarHBondContact O-CH2 3.29Å; P348-W397 WeakPolarHBondContact O-CZ3 3.45Å
349	G	73.8	Confident	65.7	Low	22 Å²	22	61.9 Å²	61.9	23%	0.227	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.5	-11.8	176.7	0	0	0	0	0	115.8	G347 W397 T398	G347-G349 PolarHBondContact O-N 3.14Å; G349-W397 VanDerWaalsContact C-CE3 3.46Å; G349-W397 VanDerWaalsContact C-CZ3 3.44Å; G349-W397 VanDerWaalsContact O-CE3 3.29Å; G349-T398 PolarHBondContact O-N 2.74Å; G349-T398 PolarHBondContact O-OG1 3.07Å; G349-T398 VanDerWaalsContact O-OG1 3.08Å
350	F	75.2	Confident	65	Low	16 Å²	16	60.5 Å²	60.5	7%	0.07	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	122	172.4	-110.6	-78.2	0	0	0	111.3	I340 P346 G347 I352 F362 V395 W397 F428 M430 N438 F439	I340-F350 HydrophobicContact CD1-CE1 4.21Å; I340-F350 HydrophobicContact CD1-CZ 4.22Å; P346-F350 HydrophobicContact CB-CB 3.78Å; G347-F350 PolarHBondContact O-N 3.1Å; F350-I352 HydrophobicContact CD1-CG1 4.32Å; F350-F362 HydrophobicContact CE1-CZ 4.48Å; F350-V395 HydrophobicContact CD1-CG1 3.87Å; F350-V395 HydrophobicContact CE1-CG1 3.77Å; F350-W397 HydrophobicContact CB-CE3 4.46Å; F350-W397 AromaticContact CD2-CE3 3.51Å; F350-W397 HydrophobicContact CD2-CE3 3.51Å; F350-W397 AromaticContact CD2-CZ3 3.55Å; F350-W397 HydrophobicContact CD2-CZ3 3.55Å; F350-W397 AromaticContact CE2-CE3 3.81Å; F350-W397 HydrophobicContact CE2-CE3 3.81Å; F350-W397 HydrophobicContact CE2-CZ3 4.07Å; F350-W397 HydrophobicContact CG-CE3 4.01Å; F350-W397 HydrophobicContact CG-CZ3 4.28Å; F350-F428 HydrophobicContact CZ-CZ 4.32Å; F350-M430 HydrophobicContact CE2-CE 4.04Å; F350-N438 HydrophobicContact CD2-CB 3.79Å; F350-N438 HydrophobicContact CE2-CB 3.75Å; F350-F439 AromaticContact CE2-CE2 3.8Å; F350-F439 HydrophobicContact CE2-CE2 3.8Å; F350-F439 HydrophobicContact CE2-CZ 4.39Å; F350-F439 AromaticContact CZ-CE2 3.65Å; F350-F439 HydrophobicContact CZ-CE2 3.65Å; F350-F439 AromaticContact CZ-CZ 3.77Å; F350-F439 HydrophobicContact CZ-CZ 3.77Å
351	V	71.4	Confident	64.9	Low	73 Å²	73	59.8 Å²	59.8	44%	0.442	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	104.4	172.7	-178.6	0	0	0	0	108.7	D396 T398	V351-D396 PolarHBondContact N-O 3.22Å; V351-D396 PolarHBondContact O-N 2.95Å; V351-T398 HydrophobicContact CG2-CG2 3.6Å
352	I	71.5	Confident	65.5	Low	45 Å²	45	56.8 Å²	56.8	23%	0.231	37%	0.371	C	S	.	.			trans	-104.3	119.5	178.1	-59	-171.3	0	0	0	108.4	P346 F350 F356 V395	P346-I352 HydrophobicContact CB-CD1 3.71Å; P346-I352 HydrophobicContact CB-CG1 4.31Å; P346-I352 HydrophobicContact CG-CD1 3.77Å; P346-I352 HydrophobicContact CG-CG1 4.14Å; F350-I352 HydrophobicContact CD1-CG1 4.32Å; I352-F356 HydrophobicContact CD1-CD1 4.37Å; I352-F356 HydrophobicContact CD1-CE1 4.35Å; I352-F356 HydrophobicContact CG2-CB 3.11Å; I352-F356 HydrophobicContact CG2-CD1 3.36Å; I352-F356 HydrophobicContact CG2-CD2 4.08Å; I352-F356 HydrophobicContact CG2-CE1 4.24Å; I352-F356 HydrophobicContact CG2-CG 3.26Å; I352-V395 HydrophobicContact CG1-CG1 4.35Å
353	P	59.8	Low	67	Low	50 Å²	50	54.9 Å²	54.9	33%	0.325	36%	0.36	S	S	.	.			trans	-60.1	152.2	177.7	-20.5	29.3	0	0	0	112.4	G355 F356 V393 R394	P353-G355 PolarHBondContact O-N 2.96Å; P353-F356 WeakPolarHBondContact O-CB 3.48Å; P353-F356 PolarHBondContact O-N 2.94Å; P353-V393 HydrophobicContact CG-CG1 4.11Å; P353-R394 WeakPolarHBondContact CD-O 3.31Å; P353-R394 WeakPolarHBondContact CG-O 3.48Å
354	V	58.9	Low	68.7	Low	159 Å²	159	49.2 Å²	49.2	96%	0.964	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	124.6	167.3	-179.4	0	0	0	0	108.8
355	G	54.7	Low	70.6	Confident	66 Å²	66	48.7 Å²	48.7	68%	0.68	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	92	2.7	-177.9	0	0	0	0	0	115.4	P353 V357	P353-G355 PolarHBondContact O-N 2.96Å; G355-V357 PolarHBondContact O-N 2.85Å
356	F	59.7	Low	72.1	Confident	19 Å²	19	42.7 Å²	42.7	8%	0.083	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-52.5	128.5	166.7	173.3	-101.7	0	0	0	110.4	T342 I352 P353 P358 Q360 V393 V395	T342-F356 HydrophobicContact CG2-CD1 4.26Å; T342-F356 HydrophobicContact CG2-CE1 3.94Å; I352-F356 HydrophobicContact CD1-CD1 4.37Å; I352-F356 HydrophobicContact CD1-CE1 4.35Å; I352-F356 HydrophobicContact CG2-CB 3.11Å; I352-F356 HydrophobicContact CG2-CD1 3.36Å; I352-F356 HydrophobicContact CG2-CD2 4.08Å; I352-F356 HydrophobicContact CG2-CE1 4.24Å; I352-F356 HydrophobicContact CG2-CG 3.26Å; P353-F356 WeakPolarHBondContact O-CB 3.48Å; P353-F356 PolarHBondContact O-N 2.94Å; F356-P358 WeakPolarHBondContact O-CD 3.3Å; F356-Q360 HydrophobicContact CE2-CB 3.8Å; F356-Q360 HydrophobicContact CE2-CG 4.24Å; F356-Q360 HydrophobicContact CZ-CB 3.91Å; F356-V393 HydrophobicContact CB-CG1 4.27Å; F356-V393 HydrophobicContact CD2-CG1 3.89Å; F356-V395 HydrophobicContact CD2-CG2 3.51Å; F356-V395 HydrophobicContact CE2-CG2 3.5Å; F356-V395 VanDerWaalsContact CE2-CG2 3.5Å
357	V	60.8	Low	73.5	Confident	81 Å²	81	40.3 Å²	40.3	49%	0.491	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-86.8	119.2	179	-177.2	0	0	0	0	108.6	G355 Q360	G355-V357 PolarHBondContact O-N 2.85Å; V357-Q360 WeakPolarHBondContact O-CG 3.3Å; V357-Q360 PolarHBondContact O-N 3.25Å
358	P	62	Low	74.7	Confident	62 Å²	62	43.6 Å²	43.6	40%	0.403	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	139.8	176.6	-28.1	41.2	0	0	0	112.8	T342 F356	T342-P358 HydrophobicContact CG2-CB 3.38Å; T342-P358 HydrophobicContact CG2-CG 3.6Å; T342-P358 WeakPolarHBondContact OG1-CB 3.47Å; T342-P358 WeakPolarHBondContact OG1-CG 3.49Å; F356-P358 WeakPolarHBondContact O-CD 3.3Å
359	G	64.4	Low	75.7	Confident	17 Å²	17	41.3 Å²	41.3	18%	0.175	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.6	3.8	179.3	0	0	0	0	0	115.1	I340	I340-G359 VanDerWaalsContact O-CA 3.29Å; I340-G359 WeakPolarHBondContact O-CA 3.36Å; I340-G359 PolarHBondContact O-N 2.88Å
360	Q	72.8	Confident	76.4	Confident	13 Å²	13	41.5 Å²	41.5	6%	0.061	25%	0.248	C	C	.	.			trans	-59.5	139.5	163.1	-74.4	-179.5	0.6	0	0	110.1	F356 V357 W390	F356-Q360 HydrophobicContact CE2-CB 3.8Å; F356-Q360 HydrophobicContact CE2-CG 4.24Å; F356-Q360 HydrophobicContact CZ-CB 3.91Å; V357-Q360 WeakPolarHBondContact O-CG 3.3Å; V357-Q360 PolarHBondContact O-N 3.25Å; Q360-W390 HydrophobicContact CB-CD2 4.19Å; Q360-W390 HydrophobicContact CB-CE3 4.02Å; Q360-W390 HydrophobicContact CB-CZ3 4.45Å; Q360-W390 HydrophobicContact CG-CD2 4Å; Q360-W390 HydrophobicContact CG-CE3 4.34Å; Q360-W390 HydrophobicContact CG-CG 4.14Å
361	A	79.4	Confident	77	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	158	-178.8	0	0	0	0	0	112.8	A198 A338 R339 L389 W390	A198-A361 HydrophobicContact CB-CB 3.81Å; A338-A361 CarbonylContact O-C 3.53Å; A338-A361 WeakPolarHBondContact O-CA 3.49Å; R339-A361 HydrophobicContact CG-CB 3.48Å; R339-A361 VanDerWaalsContact CG-CB 3.48Å; A361-L389 HydrophobicContact CB-CD1 4.33Å; A361-L389 PolarHBondContact O-N 2.81Å; A361-W390 VanDerWaalsContact C-CZ3 3.44Å; A361-W390 HydrophobicContact CB-CH2 3.57Å; A361-W390 HydrophobicContact CB-CZ3 3.43Å; A361-W390 VanDerWaalsContact CB-CZ3 3.43Å; A361-W390 WeakPolarHBondContact O-CZ3 3.27Å
362	F	87.1	Confident	77.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	139.9	174.6	-67	-103.5	0	0	0	107	T337 A338 I340 F350 L386 R387 N388 V395 F428 F439	T337-F362 CarbonylContact C-O 3.4Å; T337-F362 WeakPolarHBondContact CA-O 3.24Å; A338-F362 PolarHBondContact N-O 3.12Å; A338-F362 PolarHBondContact O-N 2.84Å; I340-F362 HydrophobicContact CD1-CE2 4.27Å; F350-F362 HydrophobicContact CE1-CZ 4.48Å; F362-L386 HydrophobicContact CB-CD2 4.01Å; F362-R387 CarbonylContact C-O 3.54Å; F362-R387 WeakPolarHBondContact CA-O 3.24Å; F362-N388 HydrophobicContact CD1-CB 4.14Å; F362-N388 HydrophobicContact CE1-CB 3.95Å; F362-V395 HydrophobicContact CE1-CB 4.23Å; F362-V395 HydrophobicContact CE1-CG1 4.34Å; F362-V395 HydrophobicContact CZ-CB 4Å; F362-V395 HydrophobicContact CZ-CG1 3.92Å; F362-V395 HydrophobicContact CZ-CG2 4.26Å; F362-F428 HydrophobicContact CD1-CE1 4.25Å; F362-F428 HydrophobicContact CD1-CZ 4.21Å; F362-F428 HydrophobicContact CE1-CE1 4.16Å; F362-F428 HydrophobicContact CE1-CZ 4.2Å; F362-F439 HydrophobicContact CB-CE1 4.01Å; F362-F439 HydrophobicContact CB-CZ 4.41Å; F362-F439 AromaticContact CD2-CE1 3.5Å; F362-F439 HydrophobicContact CD2-CE1 3.5Å; F362-F439 HydrophobicContact CD2-CZ 4.02Å; F362-F439 HydrophobicContact CE2-CE1 4.13Å; F362-F439 HydrophobicContact CE2-CZ 4.43Å; F362-F439 AromaticContact CG-CE1 3.82Å; F362-F439 HydrophobicContact CG-CE1 3.82Å; F362-F439 HydrophobicContact CG-CZ 4.06Å
363	G	88.9	Confident	78.1	Confident	6 Å²	6	48.9 Å²	48.9	6%	0.062	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	127.4	169.5	0	0	0	0	0	108.4	I336 L386 R387	I336-G363 WeakPolarHBondContact O-CA 3.34Å; G363-L386 CarbonylContact O-C 3.52Å; G363-L386 WeakPolarHBondContact O-CA 3.07Å; G363-R387 PolarHBondContact N-O 2.92Å; G363-R387 PolarHBondContact O-N 3.15Å
364	L	91.9	Very high	78.8	Confident	9 Å²	9	49.5 Å²	49.5	5%	0.047	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	127.8	166.4	-77.9	67.3	0	0	0	107.3	L326 F330 I336 A338 R385 L386 F435 L442	L326-L364 HydrophobicContact CD1-CD2 4.46Å; L326-L364 HydrophobicContact CD2-CD2 4.3Å; F330-L364 VanDerWaalsContact CE1-O 3.31Å; F330-L364 WeakPolarHBondContact CE1-O 3.36Å; F330-L364 HydrophobicContact CZ-CB 3.91Å; I336-L364 HydrophobicContact CB-CB 4.01Å; I336-L364 HydrophobicContact CG2-CB 3.78Å; I336-L364 HydrophobicContact CG2-CD1 4.25Å; I336-L364 HydrophobicContact CG2-CD2 3.94Å; I336-L364 HydrophobicContact CG2-CG 4.2Å; I336-L364 PolarHBondContact O-N 2.77Å; A338-L364 HydrophobicContact CB-CD1 3.55Å; L364-R385 WeakPolarHBondContact CA-O 3.2Å; L364-L386 HydrophobicContact CD1-CD2 4.02Å; L364-L386 HydrophobicContact CD1-CG 4.27Å; L364-L386 HydrophobicContact CG-CD2 4.42Å; L364-L386 HydrophobicContact CG-CG 4.18Å; L364-F435 HydrophobicContact CD1-CE2 3.94Å; L364-F435 HydrophobicContact CD1-CZ 4.2Å; L364-F435 HydrophobicContact CD2-CE1 4.45Å; L364-F435 HydrophobicContact CD2-CE2 4.24Å; L364-F435 HydrophobicContact CD2-CZ 4.05Å; L364-F435 HydrophobicContact CG-CE2 4.5Å; L364-L442 HydrophobicContact CD2-CD1 4.22Å
365	T	89.5	Confident	79.6	Confident	40 Å²	40	47.6 Å²	47.6	25%	0.245	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	-10.8	-172.7	65.7	0	0	0	0	113.9	F330 R385 R387 E427	F330-T365 VanDerWaalsContact CE1-C 3.45Å; T365-R385 PolarHBondContact N-O 2.78Å; T365-R385 PolarHBondContact O-NH2 3.1Å; T365-R385 PolarHBondContact OG1-NE 2.63Å; T365-R387 HydrophobicContact CG2-CB 3.94Å; T365-E427 WeakPolarHBondContact CB-OE1 3.36Å; T365-E427 WeakPolarHBondContact CG2-OE1 3.3Å; T365-E427 PolarHBondContact OG1-OE1 3.24Å
366	D	91.1	Very high	80.4	Confident	17 Å²	17	49.4 Å²	49.4	9%	0.091	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	158.3	168.5	-155.7	-6.3	0	0	0	111.1	R368 R385 W429	D366-R368 IonicContact OD1-CZ 3.68Å; D366-R368 IonicContact OD1-NE 2.86Å; D366-R368 PolarHBondContact OD1-NE 3.49Å; D366-R368 IonicContact OD1-NH2 3.35Å; D366-R368 IonicContact OD2-CZ 2.93Å; D366-R368 IonicContact OD2-NE 3.8Å; D366-R368 PolarHBondContact OD2-NE 3.47Å; D366-R368 IonicContact OD2-NH2 2.91Å; D366-R368 PolarHBondContact OD2-NH2 3.11Å; D366-R385 HydrophobicContact CB-CB 3.95Å; D366-R385 PolarHBondContact O-N 2.9Å; D366-W429 HydrophobicContact CB-CH2 3.79Å; D366-W429 HydrophobicContact CB-CZ3 4.41Å
367	C	93.3	Very high	81.4	Confident	4 Å²	4	50.1 Å²	50.1	3%	0.027	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	131.5	169.1	177.6	0	0	0	0	109.6	L326 I327 F330 L383 V384	L326-C367 HydrophobicContact CB-CB 3.94Å; I327-C367 HydrophobicContact CG1-CB 4.24Å; F330-C367 HydrophobicContact CD2-CB 3.79Å; F330-C367 HydrophobicContact CE2-CB 3.51Å; C367-L383 CarbonylContact C-O 3.44Å; C367-L383 WeakPolarHBondContact CA-O 3.4Å; C367-V384 HydrophobicContact CB-CG1 4.28Å
368	R	91.8	Very high	82.5	Confident	92 Å²	92	49.6 Å²	49.6	35%	0.347	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	135.7	-176.7	-62.5	-65.6	176.2	170.7	-4.6	111.2	D366 L370 R382 L383 L421 W429	D366-R368 IonicContact OD1-CZ 3.68Å; D366-R368 IonicContact OD1-NE 2.86Å; D366-R368 PolarHBondContact OD1-NE 3.49Å; D366-R368 IonicContact OD1-NH2 3.35Å; D366-R368 IonicContact OD2-CZ 2.93Å; D366-R368 IonicContact OD2-NE 3.8Å; D366-R368 PolarHBondContact OD2-NE 3.47Å; D366-R368 IonicContact OD2-NH2 2.91Å; D366-R368 PolarHBondContact OD2-NH2 3.11Å; R368-L370 HydrophobicContact CB-CG 4.43Å; R368-R382 WeakPolarHBondContact O-CA 3.47Å; R368-L383 PolarHBondContact N-O 3.08Å; R368-L383 PolarHBondContact O-N 3.46Å; R368-L421 HydrophobicContact CB-CD2 4.13Å; R368-L421 HydrophobicContact CG-CD2 3.94Å; R368-W429 HydrophobicContact CG-CH2 3.86Å; R368-W429 HydrophobicContact CG-CZ3 4.15Å
369	K	91	Very high	83.7	Confident	76 Å²	76	51.8 Å²	51.8	33%	0.33	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	111	176	-175.7	173.4	-173.7	158.8	0	108.2	D323 D324 I327 L380	D323-K369 IonicContact OD1-NZ 2.78Å; D323-K369 VanDerWaalsContact OD2-CD 3.28Å; D323-K369 WeakPolarHBondContact OD2-CD 3.11Å; D323-K369 WeakPolarHBondContact OD2-CE 3.42Å; D323-K369 IonicContact OD2-NZ 2.78Å; D323-K369 PolarHBondContact OD2-NZ 3.26Å; D324-K369 VanDerWaalsContact CG-NZ 3.33Å; D324-K369 IonicContact OD1-NZ 3.19Å; D324-K369 PolarHBondContact OD1-NZ 3.4Å; D324-K369 IonicContact OD2-NZ 3.37Å; D324-K369 PolarHBondContact OD2-NZ 3.39Å; I327-K369 HydrophobicContact CD1-CB 3.79Å; I327-K369 HydrophobicContact CD1-CD 4.46Å; K369-L380 HydrophobicContact CG-CD1 3.77Å; K369-L380 HydrophobicContact CG-CG 4.4Å
370	L	89.9	Confident	84.9	Confident	27 Å²	27	54.4 Å²	54.4	14%	0.141	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	140.3	-170.8	-57.8	174.7	0	0	0	109.9	R368 L381 V419 L421	R368-L370 HydrophobicContact CB-CG 4.43Å; L370-L381 PolarHBondContact N-O 3.03Å; L370-L381 PolarHBondContact O-N 3.27Å; L370-V419 HydrophobicContact CD1-CG2 4Å; L370-V419 HydrophobicContact CD2-CB 3.94Å; L370-V419 HydrophobicContact CD2-CG1 4.04Å; L370-V419 HydrophobicContact CD2-CG2 4.31Å; L370-L421 HydrophobicContact CD1-CD1 3.73Å; L370-L421 HydrophobicContact CD1-CD2 4.44Å; L370-L421 HydrophobicContact CD1-CG 4.29Å
371	R	88.1	Confident	85.7	Confident	160 Å²	160	54.4 Å²	54.4	60%	0.604	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	111	168.3	-169.2	72	77.6	168.2	0.1	108.5	S378 R379	R371-S378 WeakPolarHBondContact CD-OG 3.45Å; R371-S378 WeakPolarHBondContact CG-OG 3.38Å; R371-R379 WeakPolarHBondContact CD-O 3.45Å
372	L	84.2	Confident	86.4	Confident	16 Å²	16	57.7 Å²	57.7	8%	0.084	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	131.6	172.6	-63.1	-175.2	0	0	0	109.2	S378 R379 L381 W401 L411	L372-S378 CarbonylContact O-C 3.59Å; L372-S378 WeakPolarHBondContact O-CA 3.46Å; L372-R379 HydrophobicContact CB-CG 4.07Å; L372-R379 PolarHBondContact N-O 3.18Å; L372-R379 PolarHBondContact O-N 3.19Å; L372-L381 HydrophobicContact CD1-CB 4.19Å; L372-L381 HydrophobicContact CD1-CD2 3.63Å; L372-L381 HydrophobicContact CD1-CG 4.5Å; L372-L381 HydrophobicContact CG-CB 4.25Å; L372-L381 HydrophobicContact CG-CD2 4.27Å; L372-W401 HydrophobicContact CD1-CH2 4.38Å; L372-L411 HydrophobicContact CD1-CD1 4.04Å; L372-L411 HydrophobicContact CD1-CG 4.19Å; L372-L411 HydrophobicContact CD2-CD1 3.86Å; L372-L411 HydrophobicContact CD2-CD2 3.5Å; L372-L411 VanDerWaalsContact CD2-CD2 3.5Å; L372-L411 HydrophobicContact CD2-CG 3.56Å
373	T	80.4	Confident	86.8	Confident	113 Å²	113	57.7 Å²	57.7	69%	0.693	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.3	113.7	173.7	-52.6	0	0	0	0	107.4	G377 S378	T373-G377 WeakPolarHBondContact CA-O 3.4Å; T373-S378 PolarHBondContact OG1-OG 2.89Å
374	D	75.3	Confident	87.1	Confident	62 Å²	62	57.4 Å²	57.4	33%	0.332	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	-173.9	175.3	64.1	31.8	0	0	0	110.1	S376 G377	D374-S376 PolarHBondContact O-N 2.77Å; D374-S376 VanDerWaalsContact O-N 3.13Å; D374-S376 WeakPolarHBondContact OD1-CA 3.45Å; D374-S376 VanDerWaalsContact OD1-CB 3.28Å; D374-S376 WeakPolarHBondContact OD1-CB 3.24Å; D374-S376 PolarHBondContact OD1-N 3.26Å; D374-S376 PolarHBondContact OD1-OG 3.49Å; D374-G377 PolarHBondContact N-O 3.13Å; D374-G377 PolarHBondContact O-N 2.97Å; D374-G377 PolarHBondContact OD1-N 2.79Å
375	A	74.5	Confident	87.2	Confident	119 Å²	119	58.9 Å²	58.9	98%	0.983	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.8	179.9	0	0	0	0	0	113.8
376	S	73.1	Confident	87.2	Confident	105 Å²	105	57 Å²	57	73%	0.734	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-5.5	177.3	76.4	0	0	0	0	113.6	D374	D374-S376 PolarHBondContact O-N 2.77Å; D374-S376 VanDerWaalsContact O-N 3.13Å; D374-S376 WeakPolarHBondContact OD1-CA 3.45Å; D374-S376 VanDerWaalsContact OD1-CB 3.28Å; D374-S376 WeakPolarHBondContact OD1-CB 3.24Å; D374-S376 PolarHBondContact OD1-N 3.26Å; D374-S376 PolarHBondContact OD1-OG 3.49Å
377	G	80.1	Confident	87	Confident	34 Å²	34	59.3 Å²	59.3	35%	0.351	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	119.3	-161.1	178.2	0	0	0	0	0	112.8	T373 D374	T373-G377 WeakPolarHBondContact CA-O 3.4Å; D374-G377 PolarHBondContact N-O 3.13Å; D374-G377 PolarHBondContact O-N 2.97Å; D374-G377 PolarHBondContact OD1-N 2.79Å
378	S	83.7	Confident	86.4	Confident	69 Å²	69	59.6 Å²	59.6	48%	0.483	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	114.2	-178.7	-161.4	0	0	0	0	110.7	R371 L372 T373	R371-S378 WeakPolarHBondContact CD-OG 3.45Å; R371-S378 WeakPolarHBondContact CG-OG 3.38Å; L372-S378 CarbonylContact O-C 3.59Å; L372-S378 WeakPolarHBondContact O-CA 3.46Å; T373-S378 PolarHBondContact OG1-OG 2.89Å
379	R	87.4	Confident	85.8	Confident	108 Å²	108	55.4 Å²	55.4	41%	0.408	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	143.2	177.6	69.4	179	-177.1	164.4	1.8	111.6	R371 L372 S410	R371-R379 WeakPolarHBondContact CD-O 3.45Å; L372-R379 HydrophobicContact CB-CG 4.07Å; L372-R379 PolarHBondContact N-O 3.18Å; L372-R379 PolarHBondContact O-N 3.19Å; R379-S410 PolarHBondContact NH2-OG 2.86Å
380	L	88.7	Confident	84.9	Confident	72 Å²	72	52 Å²	52	38%	0.377	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	123	172.2	-173	70.3	0	0	0	108.5	K369 R382	K369-L380 HydrophobicContact CG-CD1 3.77Å; K369-L380 HydrophobicContact CG-CG 4.4Å; L380-R382 HydrophobicContact CD2-CG 4.47Å; L380-R382 HydrophobicContact CG-CG 4.43Å
381	L	90.7	Very high	83.6	Confident	14 Å²	14	52.2 Å²	52.2	7%	0.073	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	127.8	175.3	179.1	64.6	0	0	0	109.2	L370 L372 L383 W401 L411	L370-L381 PolarHBondContact N-O 3.03Å; L370-L381 PolarHBondContact O-N 3.27Å; L372-L381 HydrophobicContact CD1-CB 4.19Å; L372-L381 HydrophobicContact CD1-CD2 3.63Å; L372-L381 HydrophobicContact CD1-CG 4.5Å; L372-L381 HydrophobicContact CG-CB 4.25Å; L372-L381 HydrophobicContact CG-CD2 4.27Å; L381-L383 HydrophobicContact CD1-CD2 3.91Å; L381-L383 HydrophobicContact CD1-CG 4.3Å; L381-L383 HydrophobicContact CD2-CD1 3.93Å; L381-L383 HydrophobicContact CD2-CD2 4.24Å; L381-L383 HydrophobicContact CD2-CG 4.02Å; L381-L383 HydrophobicContact CG-CD1 4.37Å; L381-L383 HydrophobicContact CG-CD2 4.08Å; L381-L383 HydrophobicContact CG-CG 3.91Å; L381-W401 HydrophobicContact CD1-CH2 4.49Å; L381-W401 HydrophobicContact CD1-CZ2 3.54Å; L381-W401 HydrophobicContact CD2-CH2 3.48Å; L381-W401 VanDerWaalsContact CD2-CH2 3.48Å; L381-W401 HydrophobicContact CD2-CZ2 3.37Å; L381-W401 HydrophobicContact CD2-CZ3 4.19Å; L381-W401 HydrophobicContact CG-CZ2 4.11Å; L381-L411 HydrophobicContact CD2-CD1 4.03Å
382	R	94.2	Very high	82.5	Confident	68 Å²	68	48.1 Å²	48.1	26%	0.257	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	118.2	177	-62.3	176.5	-67	-174.2	-3.2	108.1	D323 R368 L380 S431 L432 E433	D323-R382 WeakPolarHBondContact OD2-CD 3.33Å; R368-R382 WeakPolarHBondContact O-CA 3.47Å; L380-R382 HydrophobicContact CD2-CG 4.47Å; L380-R382 HydrophobicContact CG-CG 4.43Å; R382-S431 WeakPolarHBondContact O-CA 3.34Å; R382-L432 HydrophobicContact CB-CB 3.74Å; R382-L432 HydrophobicContact CB-CD2 4.16Å; R382-L432 PolarHBondContact O-N 3.49Å; R382-E433 IonicContact CZ-OE1 2.66Å; R382-E433 IonicContact NE-OE1 3.7Å; R382-E433 PolarHBondContact NE-OE1 3.19Å; R382-E433 IonicContact NH2-OE1 3.15Å; R382-E433 PolarHBondContact NH2-OE1 3.02Å
383	L	95.1	Very high	81.8	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	139.9	-177.9	-63.7	179.4	0	0	0	110.2	C367 R368 L381 W401 L421 W429 M430	C367-L383 CarbonylContact C-O 3.44Å; C367-L383 WeakPolarHBondContact CA-O 3.4Å; R368-L383 PolarHBondContact N-O 3.08Å; R368-L383 PolarHBondContact O-N 3.46Å; L381-L383 HydrophobicContact CD1-CD2 3.91Å; L381-L383 HydrophobicContact CD1-CG 4.3Å; L381-L383 HydrophobicContact CD2-CD1 3.93Å; L381-L383 HydrophobicContact CD2-CD2 4.24Å; L381-L383 HydrophobicContact CD2-CG 4.02Å; L381-L383 HydrophobicContact CG-CD1 4.37Å; L381-L383 HydrophobicContact CG-CD2 4.08Å; L381-L383 HydrophobicContact CG-CG 3.91Å; L383-W401 HydrophobicContact CD1-CD2 4.49Å; L383-W401 HydrophobicContact CD1-CE3 4.45Å; L383-W401 HydrophobicContact CD2-CB 4.25Å; L383-W401 HydrophobicContact CD2-CD2 3.79Å; L383-W401 HydrophobicContact CD2-CG 3.59Å; L383-L421 HydrophobicContact CD1-CD1 3.87Å; L383-L421 HydrophobicContact CD1-CD2 3.73Å; L383-L421 HydrophobicContact CD1-CG 4.48Å; L383-W429 HydrophobicContact CB-CE3 3.78Å; L383-W429 HydrophobicContact CB-CZ3 4Å; L383-M430 WeakPolarHBondContact CA-O 3.44Å
384	V	95	Very high	81.3	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	142.4	170.1	-70.3	0	0	0	0	109.7	L326 C367 L386 W429 M430 L432 F435	L326-V384 HydrophobicContact CD1-CG1 4.2Å; C367-V384 HydrophobicContact CB-CG1 4.28Å; V384-L386 HydrophobicContact CB-CD1 4.21Å; V384-L386 HydrophobicContact CG2-CD1 3.67Å; V384-W429 VanDerWaalsContact C-CE3 3.49Å; V384-W429 WeakPolarHBondContact O-CA 3.33Å; V384-M430 HydrophobicContact CG2-CG 3.71Å; V384-M430 PolarHBondContact N-O 3.14Å; V384-M430 PolarHBondContact O-N 3.05Å; V384-L432 HydrophobicContact CG1-CB 4.5Å; V384-L432 HydrophobicContact CG1-CD1 3.76Å; V384-F435 HydrophobicContact CG2-CB 3.67Å; V384-F435 HydrophobicContact CG2-CD2 4.39Å; V384-F435 HydrophobicContact CG2-CG 4.03Å
385	R	93.2	Very high	81.3	Confident	41 Å²	41	49 Å²	49	16%	0.155	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127.2	173.8	-166.6	175.5	61.4	-168.8	-0.6	109.1	L364 T365 D366 V422 E427 F428 W429	L364-R385 WeakPolarHBondContact CA-O 3.2Å; T365-R385 PolarHBondContact N-O 2.78Å; T365-R385 PolarHBondContact O-NH2 3.1Å; T365-R385 PolarHBondContact OG1-NE 2.63Å; D366-R385 HydrophobicContact CB-CB 3.95Å; D366-R385 PolarHBondContact O-N 2.9Å; R385-V422 PolarHBondContact NH1-O 3.28Å; R385-E427 WeakPolarHBondContact CD-OE2 3.1Å; R385-E427 HydrophobicContact CG-CB 4.25Å; R385-E427 IonicContact CZ-OE2 3.85Å; R385-E427 IonicContact NE-OE1 3.29Å; R385-E427 IonicContact NE-OE2 3.57Å; R385-E427 PolarHBondContact NE-OE2 2.86Å; R385-E427 IonicContact NH1-OE2 3.38Å; R385-F428 WeakPolarHBondContact CA-O 3.47Å; R385-W429 HydrophobicContact CB-CD2 3.83Å; R385-W429 HydrophobicContact CB-CE3 3.7Å; R385-W429 HydrophobicContact CB-CH2 3.78Å; R385-W429 HydrophobicContact CB-CZ2 3.9Å; R385-W429 HydrophobicContact CB-CZ3 3.68Å; R385-W429 HydrophobicContact CG-CD2 4.07Å; R385-W429 HydrophobicContact CG-CE3 4.44Å; R385-W429 HydrophobicContact CG-CG 4.49Å; R385-W429 HydrophobicContact CG-CZ2 4.15Å
386	L	90.8	Very high	81.4	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	149.3	-179.5	-65.2	92.3	0	0	0	110.6	F362 G363 L364 V384 E427 F428 M430 F435 F439	F362-L386 HydrophobicContact CB-CD2 4.01Å; G363-L386 CarbonylContact O-C 3.52Å; G363-L386 WeakPolarHBondContact O-CA 3.07Å; L364-L386 HydrophobicContact CD1-CD2 4.02Å; L364-L386 HydrophobicContact CD1-CG 4.27Å; L364-L386 HydrophobicContact CG-CD2 4.42Å; L364-L386 HydrophobicContact CG-CG 4.18Å; V384-L386 HydrophobicContact CB-CD1 4.21Å; V384-L386 HydrophobicContact CG2-CD1 3.67Å; L386-E427 VanDerWaalsContact O-CA 3.26Å; L386-E427 WeakPolarHBondContact O-CA 3.5Å; L386-F428 HydrophobicContact CB-CD2 4.48Å; L386-F428 HydrophobicContact CB-CE1 4.16Å; L386-F428 HydrophobicContact CB-CE2 3.91Å; L386-F428 HydrophobicContact CB-CZ 3.74Å; L386-F428 HydrophobicContact CD1-CE2 4.08Å; L386-F428 HydrophobicContact CG-CE2 4.44Å; L386-F428 PolarHBondContact N-O 2.93Å; L386-F428 PolarHBondContact O-N 2.98Å; L386-M430 HydrophobicContact CD1-CG 3.65Å; L386-M430 HydrophobicContact CD1-SD 3.59Å; L386-M430 VanDerWaalsContact CD1-SD 3.59Å; L386-M430 HydrophobicContact CD2-SD 4.49Å; L386-F435 HydrophobicContact CD1-CD2 4.46Å; L386-F435 HydrophobicContact CD2-CD2 3.92Å; L386-F435 HydrophobicContact CD2-CE2 4.01Å; L386-F439 HydrophobicContact CD2-CE1 3.92Å; L386-F439 HydrophobicContact CD2-CE2 3.77Å; L386-F439 HydrophobicContact CD2-CZ 3.32Å
387	R	86.6	Confident	82	Confident	66 Å²	66	43 Å²	43	25%	0.249	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128.9	170.9	-170.6	175.6	179.5	166	4.3	108.8	F362 G363 T365 L389 E426 E427	F362-R387 CarbonylContact C-O 3.54Å; F362-R387 WeakPolarHBondContact CA-O 3.24Å; G363-R387 PolarHBondContact N-O 2.92Å; G363-R387 PolarHBondContact O-N 3.15Å; T365-R387 HydrophobicContact CG2-CB 3.94Å; R387-L389 PolarHBondContact O-N 2.85Å; R387-E426 IonicContact NH2-OE2 2.68Å; R387-E427 HydrophobicContact CB-CG 3.98Å; R387-E427 HydrophobicContact CG-CG 4.09Å
388	N	81.6	Confident	82.4	Confident	10 Å²	10	45.4 Å²	45.4	5%	0.053	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	126.1	168.6	-178.6	5.5	0	0	0	109.5	F362 W390 V393	F362-N388 HydrophobicContact CD1-CB 4.14Å; F362-N388 HydrophobicContact CE1-CB 3.95Å; N388-W390 VanDerWaalsContact C-N 3.31Å; N388-W390 PolarHBondContact ND2-O 3.44Å; N388-W390 VanDerWaalsContact ND2-O 3.16Å; N388-W390 PolarHBondContact OD1-N 3.18Å; N388-V393 PolarHBondContact ND2-O 2.79Å
389	L	77.3	Confident	82.6	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.021	21%	0.209	C	C	.	.	S	Bend	trans	-87	-2.1	-179.6	-54.8	173.7	0	0	0	112.8	L183 A201 A202 T337 A361 R387	L183-L389 HydrophobicContact CD2-CB 4.09Å; L183-L389 HydrophobicContact CD2-CD2 3.59Å; L183-L389 HydrophobicContact CD2-CG 4.46Å; A201-L389 HydrophobicContact CB-CB 3.78Å; A201-L389 HydrophobicContact CB-CD1 4.35Å; A201-L389 HydrophobicContact CB-CG 4.47Å; A202-L389 HydrophobicContact CB-CD1 4.32Å; T337-L389 HydrophobicContact CG2-CD1 4.38Å; A361-L389 HydrophobicContact CB-CD1 4.33Å; A361-L389 PolarHBondContact O-N 2.81Å; R387-L389 PolarHBondContact O-N 2.85Å
390	W	72.9	Confident	82.7	Confident	5 Å²	5	38.8 Å²	38.8	2%	0.019	20%	0.198	C	C	.	.			trans	-124.3	82.8	176.3	-73.2	-98.8	0	0	0	111.4	V197 A198 Q360 A361 N388 S392 V393	V197-W390 HydrophobicContact CB-CZ2 4.22Å; V197-W390 HydrophobicContact CG1-CZ2 4.07Å; A198-W390 VanDerWaalsContact CA-CH2 3.44Å; A198-W390 HydrophobicContact CB-CH2 3.58Å; A198-W390 HydrophobicContact CB-CZ2 4.27Å; Q360-W390 HydrophobicContact CB-CD2 4.19Å; Q360-W390 HydrophobicContact CB-CE3 4.02Å; Q360-W390 HydrophobicContact CB-CZ3 4.45Å; Q360-W390 HydrophobicContact CG-CD2 4Å; Q360-W390 HydrophobicContact CG-CE3 4.34Å; Q360-W390 HydrophobicContact CG-CG 4.14Å; A361-W390 VanDerWaalsContact C-CZ3 3.44Å; A361-W390 HydrophobicContact CB-CH2 3.57Å; A361-W390 HydrophobicContact CB-CZ3 3.43Å; A361-W390 VanDerWaalsContact CB-CZ3 3.43Å; A361-W390 WeakPolarHBondContact O-CZ3 3.27Å; N388-W390 VanDerWaalsContact C-N 3.31Å; N388-W390 PolarHBondContact ND2-O 3.44Å; N388-W390 VanDerWaalsContact ND2-O 3.16Å; N388-W390 PolarHBondContact OD1-N 3.18Å; W390-S392 PolarHBondContact O-N 3.25Å; W390-S392 VanDerWaalsContact O-N 3.13Å; W390-V393 PolarHBondContact O-N 3.07Å; W390-V393 VanDerWaalsContact O-N 3.09Å
391	P	61.7	Low	82.8	Confident	30 Å²	30	35.9 Å²	35.9	20%	0.195	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-11	-176.9	24.5	-28.3	0	0	0	113.8	V393	P391-V393 PolarHBondContact O-N 3.16Å; P391-V393 VanDerWaalsContact O-N 3.16Å
392	S	66.2	Low	82.8	Confident	75 Å²	75	35.8 Å²	35.8	52%	0.524	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.8	169.5	56.9	0	0	0	0	112.7	W390	W390-S392 PolarHBondContact O-N 3.25Å; W390-S392 VanDerWaalsContact O-N 3.13Å
393	V	68.8	Low	82.2	Confident	28 Å²	28	40.2 Å²	40.2	17%	0.17	21%	0.206	C	C	.	.	S	Bend	trans	-124.9	105.9	173.7	-173.9	0	0	0	0	108	P353 F356 N388 W390 P391 V395	P353-V393 HydrophobicContact CG-CG1 4.11Å; F356-V393 HydrophobicContact CB-CG1 4.27Å; F356-V393 HydrophobicContact CD2-CG1 3.89Å; N388-V393 PolarHBondContact ND2-O 2.79Å; W390-V393 PolarHBondContact O-N 3.07Å; W390-V393 VanDerWaalsContact O-N 3.09Å; P391-V393 PolarHBondContact O-N 3.16Å; P391-V393 VanDerWaalsContact O-N 3.16Å; V393-V395 HydrophobicContact CG1-CG2 4.41Å; V393-V395 PolarHBondContact O-N 3.33Å
394	R	69.6	Low	81.7	Confident	177 Å²	177	43.8 Å²	43.8	67%	0.668	24%	0.243	S	C	*	.			trans	-71.3	114.5	176	-80.7	-168.9	177	-145.4	-0.4	110.4	P353	P353-R394 WeakPolarHBondContact CD-O 3.31Å; P353-R394 WeakPolarHBondContact CG-O 3.48Å
395	V	75.1	Confident	81.4	Confident	5 Å²	5	44.5 Å²	44.5	3%	0.03	25%	0.248	C	C	.	.			trans	-108.8	127	169	-175.8	0	0	0	0	107.4	F350 I352 F356 F362 V393	F350-V395 HydrophobicContact CD1-CG1 3.87Å; F350-V395 HydrophobicContact CE1-CG1 3.77Å; I352-V395 HydrophobicContact CG1-CG1 4.35Å; F356-V395 HydrophobicContact CD2-CG2 3.51Å; F356-V395 HydrophobicContact CE2-CG2 3.5Å; F356-V395 VanDerWaalsContact CE2-CG2 3.5Å; F362-V395 HydrophobicContact CE1-CB 4.23Å; F362-V395 HydrophobicContact CE1-CG1 4.34Å; F362-V395 HydrophobicContact CZ-CB 4Å; F362-V395 HydrophobicContact CZ-CG1 3.92Å; F362-V395 HydrophobicContact CZ-CG2 4.26Å; V393-V395 HydrophobicContact CG1-CG2 4.41Å; V393-V395 PolarHBondContact O-N 3.33Å
396	D	77.2	Confident	81.3	Confident	84 Å²	84	47.4 Å²	47.4	45%	0.449	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	148	-177.1	-71.6	-39.9	0	0	0	111	V351	V351-D396 PolarHBondContact N-O 3.22Å; V351-D396 PolarHBondContact O-N 2.95Å
397	W	86.7	Confident	81.2	Confident	12 Å²	12	50.6 Å²	50.6	5%	0.045	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	123.5	171.3	174	-113.3	0	0	0	109.2	P348 G349 F350 G399 A400 S402 F428 W429 M430 D434	P348-W397 WeakPolarHBondContact O-CH2 3.29Å; P348-W397 WeakPolarHBondContact O-CZ3 3.45Å; G349-W397 VanDerWaalsContact C-CE3 3.46Å; G349-W397 VanDerWaalsContact C-CZ3 3.44Å; G349-W397 VanDerWaalsContact O-CE3 3.29Å; F350-W397 HydrophobicContact CB-CE3 4.46Å; F350-W397 AromaticContact CD2-CE3 3.51Å; F350-W397 HydrophobicContact CD2-CE3 3.51Å; F350-W397 AromaticContact CD2-CZ3 3.55Å; F350-W397 HydrophobicContact CD2-CZ3 3.55Å; F350-W397 AromaticContact CE2-CE3 3.81Å; F350-W397 HydrophobicContact CE2-CE3 3.81Å; F350-W397 HydrophobicContact CE2-CZ3 4.07Å; F350-W397 HydrophobicContact CG-CE3 4.01Å; F350-W397 HydrophobicContact CG-CZ3 4.28Å; W397-G399 VanDerWaalsContact CZ2-CA 3.46Å; W397-A400 PolarHBondContact NE1-O 3.18Å; W397-S402 WeakPolarHBondContact O-CB 3.27Å; W397-F428 HydrophobicContact CB-CB 4.45Å; W397-F428 HydrophobicContact CB-CD2 3.43Å; W397-F428 VanDerWaalsContact CB-CD2 3.43Å; W397-F428 HydrophobicContact CB-CE2 3.68Å; W397-F428 HydrophobicContact CB-CG 3.92Å; W397-F428 HydrophobicContact CB-CZ 4.35Å; W397-F428 AromaticContact CG-CD2 3.98Å; W397-F428 HydrophobicContact CG-CD2 3.98Å; W397-F428 HydrophobicContact CG-CE2 4.25Å; W397-W429 VanDerWaalsContact CD1-O 3.23Å; W397-M430 HydrophobicContact CD2-CB 4.37Å; W397-M430 HydrophobicContact CD2-CE 4.3Å; W397-M430 HydrophobicContact CE3-CE 4.25Å; W397-M430 HydrophobicContact CG-CB 4.4Å; W397-M430 HydrophobicContact CH2-CE 4.11Å; W397-M430 HydrophobicContact CZ2-CB 4.3Å; W397-M430 HydrophobicContact CZ2-CE 4.12Å; W397-M430 HydrophobicContact CZ3-CE 4.17Å; W397-D434 HydrophobicContact CH2-CB 3.88Å; W397-D434 HydrophobicContact CZ2-CB 3.87Å
398	T	87.6	Confident	81.3	Confident	85 Å²	85	48.7 Å²	48.7	52%	0.521	28%	0.278	S	S	.	.			trans	-116.9	7.5	178.8	66.6	0	0	0	0	112.9	G349 V351 S402	G349-T398 PolarHBondContact O-N 2.74Å; G349-T398 PolarHBondContact O-OG1 3.07Å; G349-T398 VanDerWaalsContact O-OG1 3.08Å; V351-T398 HydrophobicContact CG2-CG2 3.6Å; T398-S402 PolarHBondContact O-OG 3.43Å
399	G	88.5	Confident	81.6	Confident	16 Å²	16	55 Å²	55	17%	0.165	31%	0.311	C	S	.	.	S	Bend	trans	-82.1	-157.5	176.3	0	0	0	0	0	113.2	W397 W401 S402	W397-G399 VanDerWaalsContact CZ2-CA 3.46Å; G399-W401 PolarHBondContact O-N 3.29Å; G399-S402 WeakPolarHBondContact O-CB 3.41Å; G399-S402 PolarHBondContact O-N 3.31Å; G399-S402 VanDerWaalsContact O-N 3.12Å; G399-S402 PolarHBondContact O-OG 3.32Å
400	A	89.7	Confident	81.9	Confident	23 Å²	23	56.9 Å²	56.9	19%	0.19	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	135.4	179.5	0	0	0	0	0	111.3	W397 S402 E407	W397-A400 PolarHBondContact NE1-O 3.18Å; A400-S402 PolarHBondContact O-N 3.21Å; A400-E407 HydrophobicContact CB-CG 4.19Å; A400-E407 WeakPolarHBondContact CB-OE1 3.37Å
401	W	91.3	Very high	82.5	Confident	11 Å²	11	57.2 Å²	57.2	4%	0.042	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	69	9.1	-177.6	-47.7	97.9	0	0	0	115.9	L372 L381 L383 G399 S405 E407 W408 L411 W429	L372-W401 HydrophobicContact CD1-CH2 4.38Å; L381-W401 HydrophobicContact CD1-CH2 4.49Å; L381-W401 HydrophobicContact CD1-CZ2 3.54Å; L381-W401 HydrophobicContact CD2-CH2 3.48Å; L381-W401 VanDerWaalsContact CD2-CH2 3.48Å; L381-W401 HydrophobicContact CD2-CZ2 3.37Å; L381-W401 HydrophobicContact CD2-CZ3 4.19Å; L381-W401 HydrophobicContact CG-CZ2 4.11Å; L383-W401 HydrophobicContact CD1-CD2 4.49Å; L383-W401 HydrophobicContact CD1-CE3 4.45Å; L383-W401 HydrophobicContact CD2-CB 4.25Å; L383-W401 HydrophobicContact CD2-CD2 3.79Å; L383-W401 HydrophobicContact CD2-CG 3.59Å; G399-W401 PolarHBondContact O-N 3.29Å; W401-S405 PolarHBondContact N-OG 2.55Å; W401-E407 HydrophobicContact CD2-CB 3.97Å; W401-E407 HydrophobicContact CE3-CB 4.12Å; W401-E407 HydrophobicContact CH2-CB 4.03Å; W401-E407 WeakPolarHBondContact CH2-O 3.1Å; W401-E407 HydrophobicContact CZ2-CB 3.88Å; W401-E407 HydrophobicContact CZ3-CB 4.15Å; W401-E407 WeakPolarHBondContact CZ3-O 3.31Å; W401-W408 VanDerWaalsContact C-NE1 3.33Å; W401-W408 HydrophobicContact CB-CZ2 4.07Å; W401-W408 AromaticContact CE3-CD2 3.69Å; W401-W408 HydrophobicContact CE3-CD2 3.69Å; W401-W408 AromaticContact CE3-CE2 3.9Å; W401-W408 AromaticContact CE3-CE3 3.65Å; W401-W408 HydrophobicContact CE3-CE3 3.65Å; W401-W408 HydrophobicContact CE3-CG 4.29Å; W401-W408 HydrophobicContact CE3-CH2 4.07Å; W401-W408 HydrophobicContact CE3-CZ2 4.09Å; W401-W408 AromaticContact CE3-CZ3 3.85Å; W401-W408 HydrophobicContact CE3-CZ3 3.85Å; W401-W408 HydrophobicContact CZ3-CD2 4.11Å; W401-W408 AromaticContact CZ3-CE3 3.76Å; W401-W408 HydrophobicContact CZ3-CE3 3.76Å; W401-W408 HydrophobicContact CZ3-CZ3 4.13Å; W401-W408 VanDerWaalsContact O-CZ2 3.25Å; W401-W408 WeakPolarHBondContact O-CZ2 3.27Å; W401-W408 PolarHBondContact O-NE1 2.89Å; W401-L411 HydrophobicContact CH2-CD1 3.97Å; W401-L411 HydrophobicContact CZ3-CD1 3.85Å; W401-W429 CarbonylContact C-O 3.59Å; W401-W429 HydrophobicContact CB-CB 4.45Å
402	S	90	Very high	83.4	Confident	11 Å²	11	59 Å²	59	8%	0.077	34%	0.339	C	S	.	.	S	Bend	trans	-62.9	170.8	166.6	60.9	0	0	0	0	113.6	W397 T398 G399 A400 G404 S405 W408	W397-S402 WeakPolarHBondContact O-CB 3.27Å; T398-S402 PolarHBondContact O-OG 3.43Å; G399-S402 WeakPolarHBondContact O-CB 3.41Å; G399-S402 PolarHBondContact O-N 3.31Å; G399-S402 VanDerWaalsContact O-N 3.12Å; G399-S402 PolarHBondContact O-OG 3.32Å; A400-S402 PolarHBondContact O-N 3.21Å; S402-G404 PolarHBondContact O-N 3.03Å; S402-S405 PolarHBondContact O-N 2.75Å; S402-S405 VanDerWaalsContact O-N 3.13Å; S402-S405 WeakPolarHBondContact OG-CB 3.11Å; S402-W408 VanDerWaalsContact O-CD1 3.25Å; S402-W408 PolarHBondContact O-NE1 2.9Å
403	E	81.3	Confident	84.3	Confident	161 Å²	161	59.5 Å²	59.5	75%	0.752	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	103.2	176.7	-167.3	160.9	178	0	0	110.3	K423	E403-K423 WeakPolarHBondContact OE2-CE 3.03Å; E403-K423 IonicContact OE2-NZ 2.7Å; E403-K423 PolarHBondContact OE2-NZ 3.39Å
404	G	84.4	Confident	85	Confident	76 Å²	76	65 Å²	65	78%	0.784	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.7	-0.2	-176.6	0	0	0	0	0	115.3	S402	S402-G404 PolarHBondContact O-N 3.03Å
405	S	89.7	Confident	85.8	Confident	15 Å²	15	59.3 Å²	59.3	11%	0.105	35%	0.347	C	S	.	.			trans	-64.3	143.9	177.7	128.4	0	0	0	0	112.1	W401 S402 E407 W408	W401-S405 PolarHBondContact N-OG 2.55Å; S402-S405 PolarHBondContact O-N 2.75Å; S402-S405 VanDerWaalsContact O-N 3.13Å; S402-S405 WeakPolarHBondContact OG-CB 3.11Å; S405-E407 WeakPolarHBondContact CB-OE2 3.44Å; S405-E407 PolarHBondContact O-N 2.73Å; S405-E407 VanDerWaalsContact OG-CD 3.31Å; S405-E407 PolarHBondContact OG-N 3.01Å; S405-E407 PolarHBondContact OG-OE2 2.88Å; S405-W408 WeakPolarHBondContact O-CB 3.31Å; S405-W408 PolarHBondContact O-N 3.06Å
406	T	90.2	Very high	86.4	Confident	102 Å²	102	61.8 Å²	61.8	63%	0.626	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-67.7	-22.3	-177.4	49.1	0	0	0	0	113.8	W408 L409	T406-W408 PolarHBondContact O-N 3.03Å; T406-L409 WeakPolarHBondContact O-CB 3.33Å; T406-L409 VanDerWaalsContact O-CG 3.23Å; T406-L409 WeakPolarHBondContact O-CG 3.43Å; T406-L409 PolarHBondContact O-N 3.12Å
407	E	88.9	Confident	86.8	Confident	67 Å²	67	63.7 Å²	63.7	31%	0.313	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-60.8	-30.9	179.2	-68.3	83.8	156.9	0	0	111.2	A400 W401 S405 L409 S410	A400-E407 HydrophobicContact CB-CG 4.19Å; A400-E407 WeakPolarHBondContact CB-OE1 3.37Å; W401-E407 HydrophobicContact CD2-CB 3.97Å; W401-E407 HydrophobicContact CE3-CB 4.12Å; W401-E407 HydrophobicContact CH2-CB 4.03Å; W401-E407 WeakPolarHBondContact CH2-O 3.1Å; W401-E407 HydrophobicContact CZ2-CB 3.88Å; W401-E407 HydrophobicContact CZ3-CB 4.15Å; W401-E407 WeakPolarHBondContact CZ3-O 3.31Å; S405-E407 WeakPolarHBondContact CB-OE2 3.44Å; S405-E407 PolarHBondContact O-N 2.73Å; S405-E407 VanDerWaalsContact OG-CD 3.31Å; S405-E407 PolarHBondContact OG-N 3.01Å; S405-E407 PolarHBondContact OG-OE2 2.88Å; E407-L409 PolarHBondContact O-N 2.97Å; E407-L409 VanDerWaalsContact O-N 3.15Å; E407-S410 PolarHBondContact O-N 3.1Å; E407-S410 VanDerWaalsContact O-N 3.11Å; E407-S410 PolarHBondContact O-OG 3.46Å
408	W	89.3	Confident	86.6	Confident	25 Å²	25	70.3 Å²	70.3	10%	0.095	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-58.1	-25.8	171.9	-74.1	117.7	0	0	0	113.2	W401 S402 S405 T406 S410 L411 R416 L421 W429	W401-W408 VanDerWaalsContact C-NE1 3.33Å; W401-W408 HydrophobicContact CB-CZ2 4.07Å; W401-W408 AromaticContact CE3-CD2 3.69Å; W401-W408 HydrophobicContact CE3-CD2 3.69Å; W401-W408 AromaticContact CE3-CE2 3.9Å; W401-W408 AromaticContact CE3-CE3 3.65Å; W401-W408 HydrophobicContact CE3-CE3 3.65Å; W401-W408 HydrophobicContact CE3-CG 4.29Å; W401-W408 HydrophobicContact CE3-CH2 4.07Å; W401-W408 HydrophobicContact CE3-CZ2 4.09Å; W401-W408 AromaticContact CE3-CZ3 3.85Å; W401-W408 HydrophobicContact CE3-CZ3 3.85Å; W401-W408 HydrophobicContact CZ3-CD2 4.11Å; W401-W408 AromaticContact CZ3-CE3 3.76Å; W401-W408 HydrophobicContact CZ3-CE3 3.76Å; W401-W408 HydrophobicContact CZ3-CZ3 4.13Å; W401-W408 VanDerWaalsContact O-CZ2 3.25Å; W401-W408 WeakPolarHBondContact O-CZ2 3.27Å; W401-W408 PolarHBondContact O-NE1 2.89Å; S402-W408 VanDerWaalsContact O-CD1 3.25Å; S402-W408 PolarHBondContact O-NE1 2.9Å; S405-W408 WeakPolarHBondContact O-CB 3.31Å; S405-W408 PolarHBondContact O-N 3.06Å; T406-W408 PolarHBondContact O-N 3.03Å; W408-S410 PolarHBondContact O-N 2.99Å; W408-L411 CarbonylContact O-C 3.58Å; W408-L411 PolarHBondContact O-N 2.87Å; W408-R416 VanDerWaalsContact C-NH2 3.33Å; W408-R416 HydrophobicContact CE3-CG 4.28Å; W408-R416 HydrophobicContact CZ3-CG 4.25Å; W408-R416 PolarHBondContact O-NH2 3.39Å; W408-L421 HydrophobicContact CH2-CB 4.46Å; W408-L421 HydrophobicContact CH2-CD1 4.37Å; W408-L421 HydrophobicContact CZ3-CB 4.36Å; W408-L421 HydrophobicContact CZ3-CD1 3.87Å; W408-W429 HydrophobicContact CH2-CB 4.24Å; W408-W429 HydrophobicContact CH2-CG 4.16Å; W408-W429 HydrophobicContact CZ2-CB 3.94Å; W408-W429 HydrophobicContact CZ2-CG 4.23Å
409	L	86.5	Confident	86.4	Confident	142 Å²	142	68.5 Å²	68.5	74%	0.743	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-63.1	-24	177.9	-61	173.3	0	0	0	112.7	T406 E407 L411	T406-L409 WeakPolarHBondContact O-CB 3.33Å; T406-L409 VanDerWaalsContact O-CG 3.23Å; T406-L409 WeakPolarHBondContact O-CG 3.43Å; T406-L409 PolarHBondContact O-N 3.12Å; E407-L409 PolarHBondContact O-N 2.97Å; E407-L409 VanDerWaalsContact O-N 3.15Å; L409-L411 PolarHBondContact O-N 3.25Å
410	S	84.5	Confident	86.1	Confident	45 Å²	45	68.8 Å²	68.8	32%	0.315	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-74.8	-4.5	174.7	75.9	0	0	0	0	113.6	R379 E407 W408	R379-S410 PolarHBondContact NH2-OG 2.86Å; E407-S410 PolarHBondContact O-N 3.1Å; E407-S410 VanDerWaalsContact O-N 3.11Å; E407-S410 PolarHBondContact O-OG 3.46Å; W408-S410 PolarHBondContact O-N 2.99Å
411	L	84.6	Confident	85.9	Confident	11 Å²	11	68.3 Å²	68.3	6%	0.058	38%	0.38	C	S	.	.	S	Bend	trans	-132.7	102.2	-179.1	-92.9	161.9	0	0	0	109	L372 L381 W401 W408 L409 R416 L421	L372-L411 HydrophobicContact CD1-CD1 4.04Å; L372-L411 HydrophobicContact CD1-CG 4.19Å; L372-L411 HydrophobicContact CD2-CD1 3.86Å; L372-L411 HydrophobicContact CD2-CD2 3.5Å; L372-L411 VanDerWaalsContact CD2-CD2 3.5Å; L372-L411 HydrophobicContact CD2-CG 3.56Å; L381-L411 HydrophobicContact CD2-CD1 4.03Å; W401-L411 HydrophobicContact CH2-CD1 3.97Å; W401-L411 HydrophobicContact CZ3-CD1 3.85Å; W408-L411 CarbonylContact O-C 3.58Å; W408-L411 PolarHBondContact O-N 2.87Å; L409-L411 PolarHBondContact O-N 3.25Å; L411-R416 HydrophobicContact CB-CG 4.14Å; L411-R416 VanDerWaalsContact O-CZ 3.26Å; L411-R416 PolarHBondContact O-NE 3.23Å; L411-R416 PolarHBondContact O-NH2 2.7Å; L411-L421 HydrophobicContact CD1-CD1 4.12Å
412	P	82	Confident	85.4	Confident	69 Å²	69	71.3 Å²	71.3	45%	0.448	40%	0.4	S	S	.	.			trans	-55	145.2	178.1	-25.6	34.3	0	0	0	112.1	Q414 D415 R416	P412-Q414 PolarHBondContact O-N 2.9Å; P412-Q414 VanDerWaalsContact O-N 3.09Å; P412-D415 PolarHBondContact O-N 3.27Å; P412-R416 PolarHBondContact O-N 2.79Å
413	P	84.4	Confident	85	Confident	85 Å²	85	74.2 Å²	74.2	55%	0.552	41%	0.411	S	S	*	.	H	α-helix	trans	-53.8	-34.4	-176.5	-28.8	35.1	0	0	0	114.8	D415 R416 L417	P413-D415 VanDerWaalsContact C-N 3.33Å; P413-D415 PolarHBondContact O-N 2.77Å; P413-R416 PolarHBondContact O-N 2.78Å; P413-L417 PolarHBondContact O-N 3.07Å
414	Q	84.1	Confident	85	Confident	142 Å²	142	69 Å²	69	66%	0.664	40%	0.395	S	S	*	.	H	α-helix	trans	-64.1	-38.5	177.6	-64.3	-176	5	0	0	112.2	P412 L417 K418	P412-Q414 PolarHBondContact O-N 2.9Å; P412-Q414 VanDerWaalsContact O-N 3.09Å; Q414-L417 PolarHBondContact O-N 3.16Å; Q414-K418 WeakPolarHBondContact O-CG 3.31Å; Q414-K418 PolarHBondContact O-N 3.2Å; Q414-K418 VanDerWaalsContact O-N 3.16Å
415	D	85.1	Confident	84.4	Confident	58 Å²	58	73.7 Å²	73.7	31%	0.31	40%	0.397	S	S	.	.	H	α-helix	trans	-76.5	-33.3	-179	-63	-28.4	0	0	0	111	P412 P413 L417 K418 V419	P412-D415 PolarHBondContact O-N 3.27Å; P413-D415 VanDerWaalsContact C-N 3.33Å; P413-D415 PolarHBondContact O-N 2.77Å; D415-L417 VanDerWaalsContact C-N 3.3Å; D415-L417 PolarHBondContact O-N 2.91Å; D415-K418 PolarHBondContact O-N 2.94Å; D415-K418 VanDerWaalsContact O-N 3.15Å; D415-K418 IonicContact OD1-NZ 3.49Å; D415-K418 PolarHBondContact OD1-NZ 3.1Å; D415-V419 WeakPolarHBondContact O-CG2 3.22Å; D415-V419 PolarHBondContact O-N 2.86Å
416	R	88.4	Confident	83.8	Confident	58 Å²	58	77.3 Å²	77.3	22%	0.219	41%	0.412	C	S	.	.	H	α-helix	trans	-55.8	-45.7	171.1	-60	-180	-155.4	165.5	12.9	111.7	W408 L411 P412 P413 V419 G420 L421	W408-R416 VanDerWaalsContact C-NH2 3.33Å; W408-R416 HydrophobicContact CE3-CG 4.28Å; W408-R416 HydrophobicContact CZ3-CG 4.25Å; W408-R416 PolarHBondContact O-NH2 3.39Å; L411-R416 HydrophobicContact CB-CG 4.14Å; L411-R416 VanDerWaalsContact O-CZ 3.26Å; L411-R416 PolarHBondContact O-NE 3.23Å; L411-R416 PolarHBondContact O-NH2 2.7Å; P412-R416 PolarHBondContact O-N 2.79Å; P413-R416 PolarHBondContact O-N 2.78Å; R416-V419 PolarHBondContact O-N 2.95Å; R416-G420 PolarHBondContact O-N 2.94Å; R416-G420 VanDerWaalsContact O-N 3.13Å; R416-L421 HydrophobicContact CB-CB 4.13Å; R416-L421 PolarHBondContact O-N 3.2Å
417	L	85.4	Confident	83.6	Confident	123 Å²	123	73.1 Å²	73.1	64%	0.644	39%	0.385	S	S	*	.	H	α-helix	trans	-63.2	-44.9	176.1	-79.5	156.1	0	0	0	111.6	P413 Q414 D415 V419 G420 V422	P413-L417 PolarHBondContact O-N 3.07Å; Q414-L417 PolarHBondContact O-N 3.16Å; D415-L417 VanDerWaalsContact C-N 3.3Å; D415-L417 PolarHBondContact O-N 2.91Å; L417-V419 VanDerWaalsContact C-N 3.34Å; L417-V419 PolarHBondContact O-N 3.29Å; L417-G420 PolarHBondContact O-N 3Å; L417-V422 HydrophobicContact CD2-CG2 3.88Å
418	K	83.8	Confident	83.7	Confident	151 Å²	151	70.8 Å²	70.8	66%	0.657	37%	0.374	S	S	*	.	H	α-helix	trans	-61.3	-39.6	178.6	-69.9	172.4	-162.3	159.1	0	112.9	Q414 D415 G420	Q414-K418 WeakPolarHBondContact O-CG 3.31Å; Q414-K418 PolarHBondContact O-N 3.2Å; Q414-K418 VanDerWaalsContact O-N 3.16Å; D415-K418 PolarHBondContact O-N 2.94Å; D415-K418 VanDerWaalsContact O-N 3.15Å; D415-K418 IonicContact OD1-NZ 3.49Å; D415-K418 PolarHBondContact OD1-NZ 3.1Å; K418-G420 VanDerWaalsContact C-N 3.29Å
419	V	81.9	Confident	83.8	Confident	48 Å²	48	69.9 Å²	69.9	29%	0.291	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	3.7	179.8	-60.3	0	0	0	0	113.5	L370 D415 R416 L417 L421	L370-V419 HydrophobicContact CD1-CG2 4Å; L370-V419 HydrophobicContact CD2-CB 3.94Å; L370-V419 HydrophobicContact CD2-CG1 4.04Å; L370-V419 HydrophobicContact CD2-CG2 4.31Å; D415-V419 WeakPolarHBondContact O-CG2 3.22Å; D415-V419 PolarHBondContact O-N 2.86Å; R416-V419 PolarHBondContact O-N 2.95Å; L417-V419 VanDerWaalsContact C-N 3.34Å; L417-V419 PolarHBondContact O-N 3.29Å; V419-L421 HydrophobicContact CG2-CB 4.37Å; V419-L421 HydrophobicContact CG2-CD1 3.79Å; V419-L421 HydrophobicContact CG2-CG 3.67Å
420	G	82	Confident	84.2	Confident	22 Å²	22	63.1 Å²	63.1	23%	0.227	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	18.5	175.5	0	0	0	0	0	115	R416 L417 K418 V422	R416-G420 PolarHBondContact O-N 2.94Å; R416-G420 VanDerWaalsContact O-N 3.13Å; L417-G420 PolarHBondContact O-N 3Å; K418-G420 VanDerWaalsContact C-N 3.29Å; G420-V422 PolarHBondContact O-N 3.07Å
421	L	86.3	Confident	84.6	Confident	13 Å²	13	61.5 Å²	61.5	7%	0.068	32%	0.324	C	S	.	.			trans	-75.4	56.3	173.4	-63.5	178.3	0	0	0	111.4	R368 L370 L383 W408 L411 R416 V419 W429	R368-L421 HydrophobicContact CB-CD2 4.13Å; R368-L421 HydrophobicContact CG-CD2 3.94Å; L370-L421 HydrophobicContact CD1-CD1 3.73Å; L370-L421 HydrophobicContact CD1-CD2 4.44Å; L370-L421 HydrophobicContact CD1-CG 4.29Å; L383-L421 HydrophobicContact CD1-CD1 3.87Å; L383-L421 HydrophobicContact CD1-CD2 3.73Å; L383-L421 HydrophobicContact CD1-CG 4.48Å; W408-L421 HydrophobicContact CH2-CB 4.46Å; W408-L421 HydrophobicContact CH2-CD1 4.37Å; W408-L421 HydrophobicContact CZ3-CB 4.36Å; W408-L421 HydrophobicContact CZ3-CD1 3.87Å; L411-L421 HydrophobicContact CD1-CD1 4.12Å; R416-L421 HydrophobicContact CB-CB 4.13Å; R416-L421 PolarHBondContact O-N 3.2Å; V419-L421 HydrophobicContact CG2-CB 4.37Å; V419-L421 HydrophobicContact CG2-CD1 3.79Å; V419-L421 HydrophobicContact CG2-CG 3.67Å; L421-W429 HydrophobicContact CB-CZ2 4.46Å; L421-W429 HydrophobicContact CD2-CD2 4.24Å; L421-W429 HydrophobicContact CD2-CE3 4.11Å; L421-W429 HydrophobicContact CD2-CH2 3.62Å; L421-W429 HydrophobicContact CD2-CZ2 3.77Å; L421-W429 HydrophobicContact CD2-CZ3 3.8Å
422	V	81.3	Confident	85.1	Confident	74 Å²	74	61 Å²	61	45%	0.448	32%	0.321	S	S	.	.			trans	-106	152.6	175.1	-172.1	0	0	0	0	107.6	R385 L417 G420 W429	R385-V422 PolarHBondContact NH1-O 3.28Å; L417-V422 HydrophobicContact CD2-CG2 3.88Å; G420-V422 PolarHBondContact O-N 3.07Å; V422-W429 PolarHBondContact O-NE1 2.87Å
423	K	82	Confident	85.5	Confident	72 Å²	72	61.4 Å²	61.4	31%	0.313	32%	0.317	S	S	.	.			trans	-136.2	149	177.1	76.5	-170.3	-173.2	78.1	0	110.5	E403 E427	E403-K423 WeakPolarHBondContact OE2-CE 3.03Å; E403-K423 IonicContact OE2-NZ 2.7Å; E403-K423 PolarHBondContact OE2-NZ 3.39Å; K423-E427 HydrophobicContact CB-CB 3.92Å; K423-E427 VanDerWaalsContact CD-O 3.26Å; K423-E427 WeakPolarHBondContact CD-O 3.34Å; K423-E427 PolarHBondContact NZ-O 3.02Å
424	A	79.8	Confident	85.8	Confident	51 Å²	51	59.4 Å²	59.4	42%	0.421	30%	0.302	S	S	.	.			trans	-77.3	174.8	169.2	0	0	0	0	0	111.2	E427	A424-E427 HydrophobicContact CB-CG 4.17Å; A424-E427 WeakPolarHBondContact CB-OE2 3.46Å; A424-E427 PolarHBondContact N-OE2 3.5Å; A424-E427 PolarHBondContact O-N 2.93Å
425	Q	72.6	Confident	86.2	Confident	174 Å²	174	52.6 Å²	52.6	81%	0.813	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	139.4	167.5	-68.9	178	-12.8	0	0	109.3	E427	Q425-E427 PolarHBondContact O-N 2.88Å
426	E	76.8	Confident	86.5	Confident	92 Å²	92	52 Å²	52	43%	0.43	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	70	10.9	-177.2	-46.4	177.8	153.3	0	0	115.7	R387	R387-E426 IonicContact NH2-OE2 2.68Å
427	E	86.7	Confident	86.4	Confident	14 Å²	14	52.4 Å²	52.4	7%	0.065	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	153.1	168.8	-67.2	-173.6	146.5	0	0	111.4	T365 R385 L386 R387 K423 A424 Q425	T365-E427 WeakPolarHBondContact CB-OE1 3.36Å; T365-E427 WeakPolarHBondContact CG2-OE1 3.3Å; T365-E427 PolarHBondContact OG1-OE1 3.24Å; R385-E427 WeakPolarHBondContact CD-OE2 3.1Å; R385-E427 HydrophobicContact CG-CB 4.25Å; R385-E427 IonicContact CZ-OE2 3.85Å; R385-E427 IonicContact NE-OE1 3.29Å; R385-E427 IonicContact NE-OE2 3.57Å; R385-E427 PolarHBondContact NE-OE2 2.86Å; R385-E427 IonicContact NH1-OE2 3.38Å; L386-E427 VanDerWaalsContact O-CA 3.26Å; L386-E427 WeakPolarHBondContact O-CA 3.5Å; R387-E427 HydrophobicContact CB-CG 3.98Å; R387-E427 HydrophobicContact CG-CG 4.09Å; K423-E427 HydrophobicContact CB-CB 3.92Å; K423-E427 VanDerWaalsContact CD-O 3.26Å; K423-E427 WeakPolarHBondContact CD-O 3.34Å; K423-E427 PolarHBondContact NZ-O 3.02Å; A424-E427 HydrophobicContact CB-CG 4.17Å; A424-E427 WeakPolarHBondContact CB-OE2 3.46Å; A424-E427 PolarHBondContact N-OE2 3.5Å; A424-E427 PolarHBondContact O-N 2.93Å; Q425-E427 PolarHBondContact O-N 2.88Å
428	F	90	Very high	86.4	Confident	18 Å²	18	47.4 Å²	47.4	8%	0.079	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	154.9	171.4	61.6	-91.9	0	0	0	111.2	F350 F362 R385 L386 W397 M430	F350-F428 HydrophobicContact CZ-CZ 4.32Å; F362-F428 HydrophobicContact CD1-CE1 4.25Å; F362-F428 HydrophobicContact CD1-CZ 4.21Å; F362-F428 HydrophobicContact CE1-CE1 4.16Å; F362-F428 HydrophobicContact CE1-CZ 4.2Å; R385-F428 WeakPolarHBondContact CA-O 3.47Å; L386-F428 HydrophobicContact CB-CD2 4.48Å; L386-F428 HydrophobicContact CB-CE1 4.16Å; L386-F428 HydrophobicContact CB-CE2 3.91Å; L386-F428 HydrophobicContact CB-CZ 3.74Å; L386-F428 HydrophobicContact CD1-CE2 4.08Å; L386-F428 HydrophobicContact CG-CE2 4.44Å; L386-F428 PolarHBondContact N-O 2.93Å; L386-F428 PolarHBondContact O-N 2.98Å; W397-F428 HydrophobicContact CB-CB 4.45Å; W397-F428 HydrophobicContact CB-CD2 3.43Å; W397-F428 VanDerWaalsContact CB-CD2 3.43Å; W397-F428 HydrophobicContact CB-CE2 3.68Å; W397-F428 HydrophobicContact CB-CG 3.92Å; W397-F428 HydrophobicContact CB-CZ 4.35Å; W397-F428 AromaticContact CG-CD2 3.98Å; W397-F428 HydrophobicContact CG-CD2 3.98Å; W397-F428 HydrophobicContact CG-CE2 4.25Å; F428-M430 HydrophobicContact CE2-SD 4.03Å
429	W	92.8	Very high	86.6	Confident	5 Å²	5	40.2 Å²	40.2	2%	0.019	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	146.3	172	-71.6	97.8	0	0	0	109.5	D366 R368 L383 V384 R385 W397 W401 W408 L421 V422	D366-W429 HydrophobicContact CB-CH2 3.79Å; D366-W429 HydrophobicContact CB-CZ3 4.41Å; R368-W429 HydrophobicContact CG-CH2 3.86Å; R368-W429 HydrophobicContact CG-CZ3 4.15Å; L383-W429 HydrophobicContact CB-CE3 3.78Å; L383-W429 HydrophobicContact CB-CZ3 4Å; V384-W429 VanDerWaalsContact C-CE3 3.49Å; V384-W429 WeakPolarHBondContact O-CA 3.33Å; R385-W429 HydrophobicContact CB-CD2 3.83Å; R385-W429 HydrophobicContact CB-CE3 3.7Å; R385-W429 HydrophobicContact CB-CH2 3.78Å; R385-W429 HydrophobicContact CB-CZ2 3.9Å; R385-W429 HydrophobicContact CB-CZ3 3.68Å; R385-W429 HydrophobicContact CG-CD2 4.07Å; R385-W429 HydrophobicContact CG-CE3 4.44Å; R385-W429 HydrophobicContact CG-CG 4.49Å; R385-W429 HydrophobicContact CG-CZ2 4.15Å; W397-W429 VanDerWaalsContact CD1-O 3.23Å; W401-W429 CarbonylContact C-O 3.59Å; W401-W429 HydrophobicContact CB-CB 4.45Å; W408-W429 HydrophobicContact CH2-CB 4.24Å; W408-W429 HydrophobicContact CH2-CG 4.16Å; W408-W429 HydrophobicContact CZ2-CB 3.94Å; W408-W429 HydrophobicContact CZ2-CG 4.23Å; L421-W429 HydrophobicContact CB-CZ2 4.46Å; L421-W429 HydrophobicContact CD2-CD2 4.24Å; L421-W429 HydrophobicContact CD2-CE3 4.11Å; L421-W429 HydrophobicContact CD2-CH2 3.62Å; L421-W429 HydrophobicContact CD2-CZ2 3.77Å; L421-W429 HydrophobicContact CD2-CZ3 3.8Å; V422-W429 PolarHBondContact O-NE1 2.87Å
430	M	93.6	Very high	86.9	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	165.9	168.5	66.6	-173.3	-51.8	0	0	109.7	F350 L383 V384 L386 W397 F428 D434 F435 F439	F350-M430 HydrophobicContact CE2-CE 4.04Å; L383-M430 WeakPolarHBondContact CA-O 3.44Å; V384-M430 HydrophobicContact CG2-CG 3.71Å; V384-M430 PolarHBondContact N-O 3.14Å; V384-M430 PolarHBondContact O-N 3.05Å; L386-M430 HydrophobicContact CD1-CG 3.65Å; L386-M430 HydrophobicContact CD1-SD 3.59Å; L386-M430 VanDerWaalsContact CD1-SD 3.59Å; L386-M430 HydrophobicContact CD2-SD 4.49Å; W397-M430 HydrophobicContact CD2-CB 4.37Å; W397-M430 HydrophobicContact CD2-CE 4.3Å; W397-M430 HydrophobicContact CE3-CE 4.25Å; W397-M430 HydrophobicContact CG-CB 4.4Å; W397-M430 HydrophobicContact CH2-CE 4.11Å; W397-M430 HydrophobicContact CZ2-CB 4.3Å; W397-M430 HydrophobicContact CZ2-CE 4.12Å; W397-M430 HydrophobicContact CZ3-CE 4.17Å; F428-M430 HydrophobicContact CE2-SD 4.03Å; M430-D434 VanDerWaalsContact CE-C 3.42Å; M430-D434 HydrophobicContact CE-CB 3.44Å; M430-D434 VanDerWaalsContact CE-CB 3.44Å; M430-F435 HydrophobicContact CE-CB 4.31Å; M430-F435 HydrophobicContact CG-CB 4.3Å; M430-F435 HydrophobicContact SD-CB 3.99Å; M430-F435 HydrophobicContact SD-CD2 4.43Å; M430-F439 HydrophobicContact CE-CE2 4.49Å; M430-F439 HydrophobicContact SD-CE2 3.95Å
431	S	93.4	Very high	87.3	Confident	11 Å²	11	39.2 Å²	39.2	8%	0.077	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	149.5	171.5	75.5	0	0	0	0	110.6	R382 E433 D434 F435	R382-S431 WeakPolarHBondContact O-CA 3.34Å; S431-E433 WeakPolarHBondContact CB-OE2 3.46Å; S431-E433 PolarHBondContact O-N 3.26Å; S431-D434 PolarHBondContact O-N 2.85Å; S431-D434 VanDerWaalsContact OG-CB 3.29Å; S431-D434 WeakPolarHBondContact OG-CB 3.25Å; S431-D434 PolarHBondContact OG-N 3.12Å; S431-D434 PolarHBondContact OG-OD2 2.64Å; S431-F435 PolarHBondContact O-N 2.91Å
432	L	94.4	Very high	87.7	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-62.3	-32.1	174.2	179.3	62.9	0	0	0	110.8	L322 D323 L326 R382 V384 F435 I436	L322-L432 HydrophobicContact CD2-CD1 4.49Å; D323-L432 HydrophobicContact CB-CD2 3.73Å; L326-L432 HydrophobicContact CD1-CD1 4.08Å; R382-L432 HydrophobicContact CB-CB 3.74Å; R382-L432 HydrophobicContact CB-CD2 4.16Å; R382-L432 PolarHBondContact O-N 3.49Å; V384-L432 HydrophobicContact CG1-CB 4.5Å; V384-L432 HydrophobicContact CG1-CD1 3.76Å; L432-F435 HydrophobicContact CD1-CD1 3.89Å; L432-F435 WeakPolarHBondContact O-CB 3.48Å; L432-F435 PolarHBondContact O-N 3.36Å; L432-I436 HydrophobicContact CD1-CD1 4.3Å; L432-I436 HydrophobicContact CD1-CG1 4.33Å; L432-I436 HydrophobicContact CG-CD1 3.97Å; L432-I436 HydrophobicContact CG-CG1 4.43Å; L432-I436 VanDerWaalsContact O-CG1 3.25Å; L432-I436 WeakPolarHBondContact O-CG1 3.24Å; L432-I436 PolarHBondContact O-N 3.12Å
433	E	91.8	Very high	88.3	Confident	77 Å²	77	35.2 Å²	35.2	36%	0.36	19%	0.187	S	C	.	.	H	α-helix	trans	-63.5	-47.7	176.2	-64	74.2	-165.3	0	0	111.4	R382 S431 F435 I436 A437	R382-E433 IonicContact CZ-OE1 2.66Å; R382-E433 IonicContact NE-OE1 3.7Å; R382-E433 PolarHBondContact NE-OE1 3.19Å; R382-E433 IonicContact NH2-OE1 3.15Å; R382-E433 PolarHBondContact NH2-OE1 3.02Å; S431-E433 WeakPolarHBondContact CB-OE2 3.46Å; S431-E433 PolarHBondContact O-N 3.26Å; E433-F435 VanDerWaalsContact C-N 3.28Å; E433-F435 PolarHBondContact O-N 3.33Å; E433-I436 PolarHBondContact O-N 2.88Å; E433-A437 WeakPolarHBondContact O-CB 3.48Å; E433-A437 PolarHBondContact O-N 3.15Å
434	D	90.7	Very high	88.9	Confident	43 Å²	43	31.8 Å²	31.8	23%	0.23	17%	0.172	C	C	.	.	H	α-helix	trans	-63.1	-38.2	174.3	-68.9	-44.6	0	0	0	110.7	W397 M430 S431 A437 N438	W397-D434 HydrophobicContact CH2-CB 3.88Å; W397-D434 HydrophobicContact CZ2-CB 3.87Å; M430-D434 VanDerWaalsContact CE-C 3.42Å; M430-D434 HydrophobicContact CE-CB 3.44Å; M430-D434 VanDerWaalsContact CE-CB 3.44Å; S431-D434 PolarHBondContact O-N 2.85Å; S431-D434 VanDerWaalsContact OG-CB 3.29Å; S431-D434 WeakPolarHBondContact OG-CB 3.25Å; S431-D434 PolarHBondContact OG-N 3.12Å; S431-D434 PolarHBondContact OG-OD2 2.64Å; D434-A437 PolarHBondContact O-N 3.45Å; D434-N438 VanDerWaalsContact O-CB 3.31Å; D434-N438 WeakPolarHBondContact O-CB 3.35Å; D434-N438 PolarHBondContact O-N 2.62Å; D434-N438 PolarHBondContact O-ND2 2.65Å
435	F	91.7	Very high	89.7	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.2	-50.3	176.6	169.4	-98.9	0	0	0	111.3	L308 A338 L364 V384 L386 M430 S431 L432 E433 A437 N438 F439 L442	L308-F435 HydrophobicContact CD1-CE1 3.87Å; L308-F435 HydrophobicContact CD1-CZ 4.01Å; A338-F435 HydrophobicContact CB-CE2 3.5Å; A338-F435 VanDerWaalsContact CB-CE2 3.5Å; A338-F435 HydrophobicContact CB-CZ 3.63Å; L364-F435 HydrophobicContact CD1-CE2 3.94Å; L364-F435 HydrophobicContact CD1-CZ 4.2Å; L364-F435 HydrophobicContact CD2-CE1 4.45Å; L364-F435 HydrophobicContact CD2-CE2 4.24Å; L364-F435 HydrophobicContact CD2-CZ 4.05Å; L364-F435 HydrophobicContact CG-CE2 4.5Å; V384-F435 HydrophobicContact CG2-CB 3.67Å; V384-F435 HydrophobicContact CG2-CD2 4.39Å; V384-F435 HydrophobicContact CG2-CG 4.03Å; L386-F435 HydrophobicContact CD1-CD2 4.46Å; L386-F435 HydrophobicContact CD2-CD2 3.92Å; L386-F435 HydrophobicContact CD2-CE2 4.01Å; M430-F435 HydrophobicContact CE-CB 4.31Å; M430-F435 HydrophobicContact CG-CB 4.3Å; M430-F435 HydrophobicContact SD-CB 3.99Å; M430-F435 HydrophobicContact SD-CD2 4.43Å; S431-F435 PolarHBondContact O-N 2.91Å; L432-F435 HydrophobicContact CD1-CD1 3.89Å; L432-F435 WeakPolarHBondContact O-CB 3.48Å; L432-F435 PolarHBondContact O-N 3.36Å; E433-F435 VanDerWaalsContact C-N 3.28Å; E433-F435 PolarHBondContact O-N 3.33Å; F435-A437 PolarHBondContact O-N 3.4Å; F435-N438 PolarHBondContact O-N 2.72Å; F435-F439 HydrophobicContact CD2-CB 4.31Å; F435-F439 HydrophobicContact CD2-CD1 4.45Å; F435-F439 AromaticContact CD2-CD2 3.34Å; F435-F439 HydrophobicContact CD2-CD2 3.34Å; F435-F439 AromaticContact CD2-CE2 3.67Å; F435-F439 HydrophobicContact CD2-CE2 3.67Å; F435-F439 AromaticContact CD2-CG 3.78Å; F435-F439 HydrophobicContact CD2-CG 3.78Å; F435-F439 HydrophobicContact CD2-CZ 4.36Å; F435-F439 HydrophobicContact CE2-CB 3.94Å; F435-F439 AromaticContact CE2-CD1 3.91Å; F435-F439 HydrophobicContact CE2-CD1 3.91Å; F435-F439 AromaticContact CE2-CD2 3.62Å; F435-F439 HydrophobicContact CE2-CD2 3.62Å; F435-F439 HydrophobicContact CE2-CE1 4.31Å; F435-F439 HydrophobicContact CE2-CE2 4.06Å; F435-F439 AromaticContact CE2-CG 3.53Å; F435-F439 HydrophobicContact CE2-CG 3.53Å; F435-F439 HydrophobicContact CE2-CZ 4.4Å; F435-F439 HydrophobicContact CG-CD2 4.22Å; F435-F439 HydrophobicContact CZ-CB 4.28Å; F435-F439 HydrophobicContact CZ-CG 4.34Å; F435-F439 WeakPolarHBondContact O-CB 3.4Å; F435-F439 WeakPolarHBondContact O-CD2 3.31Å; F435-F439 PolarHBondContact O-N 2.93Å; F435-L442 HydrophobicContact CE1-CD2 4.38Å; F435-L442 HydrophobicContact CZ-CB 4.49Å; F435-L442 HydrophobicContact CZ-CD1 4.1Å
436	I	90.7	Very high	90.7	Very high	44 Å²	44	21.1 Å²	21.1	23%	0.226	11%	0.113	C	C	.	.	H	α-helix	trans	-61.2	-33.6	178.4	-69.7	171.6	0	0	0	111.6	P309 L322 L432 E433	P309-I436 HydrophobicContact CG-CG2 3.94Å; L322-I436 HydrophobicContact CD2-CD1 4.28Å; L322-I436 HydrophobicContact CD2-CG1 4.41Å; L432-I436 HydrophobicContact CD1-CD1 4.3Å; L432-I436 HydrophobicContact CD1-CG1 4.33Å; L432-I436 HydrophobicContact CG-CD1 3.97Å; L432-I436 HydrophobicContact CG-CG1 4.43Å; L432-I436 VanDerWaalsContact O-CG1 3.25Å; L432-I436 WeakPolarHBondContact O-CG1 3.24Å; L432-I436 PolarHBondContact O-N 3.12Å; E433-I436 PolarHBondContact O-N 2.88Å
437	A	86	Confident	91.3	Very high	67 Å²	67	17 Å²	17	55%	0.554	10%	0.095	S	C	*	.	H	α-helix	trans	-79.3	-28.8	-179.5	0	0	0	0	0	114.1	E433 D434 F435	E433-A437 WeakPolarHBondContact O-CB 3.48Å; E433-A437 PolarHBondContact O-N 3.15Å; D434-A437 PolarHBondContact O-N 3.45Å; F435-A437 PolarHBondContact O-N 3.4Å
438	N	85.5	Confident	91.2	Very high	18 Å²	18	16.9 Å²	16.9	10%	0.096	10%	0.095	C	C	.	.	H	α-helix	trans	-104	-19.5	-172.3	-73	-79.5	0	0	0	114.4	G347 F350 D434 F435	G347-N438 WeakPolarHBondContact CA-OD1 3.34Å; G347-N438 PolarHBondContact N-OD1 3.03Å; G347-N438 VanDerWaalsContact N-OD1 3.11Å; F350-N438 HydrophobicContact CD2-CB 3.79Å; F350-N438 HydrophobicContact CE2-CB 3.75Å; D434-N438 VanDerWaalsContact O-CB 3.31Å; D434-N438 WeakPolarHBondContact O-CB 3.35Å; D434-N438 PolarHBondContact O-N 2.62Å; D434-N438 PolarHBondContact O-ND2 2.65Å; F435-N438 PolarHBondContact O-N 2.72Å
439	F	88.4	Confident	90.8	Very high	1 Å²	1	19.4 Å²	19.4	0%	0.004	11%	0.107	C	C	.	.			trans	-103.1	151.3	179.2	-73.2	-102	0	0	0	111.1	L308 A338 I340 F350 F362 L386 M430 F435	L308-F439 VanDerWaalsContact CB-O 3.27Å; L308-F439 WeakPolarHBondContact CB-O 3.02Å; L308-F439 HydrophobicContact CD1-CB 3.49Å; L308-F439 VanDerWaalsContact CD1-CB 3.49Å; L308-F439 VanDerWaalsContact CD1-O 3.3Å; L308-F439 WeakPolarHBondContact CD1-O 3.47Å; A338-F439 HydrophobicContact CB-CD1 3.52Å; A338-F439 HydrophobicContact CB-CE1 3.92Å; A338-F439 HydrophobicContact CB-CG 4.27Å; I340-F439 HydrophobicContact CD1-CD1 4.43Å; I340-F439 HydrophobicContact CD1-CE1 4.22Å; I340-F439 HydrophobicContact CD1-CZ 4.33Å; I340-F439 HydrophobicContact CG1-CD1 3.79Å; I340-F439 HydrophobicContact CG1-CE1 3.98Å; I340-F439 HydrophobicContact CG1-CG 4.22Å; F350-F439 AromaticContact CE2-CE2 3.8Å; F350-F439 HydrophobicContact CE2-CE2 3.8Å; F350-F439 HydrophobicContact CE2-CZ 4.39Å; F350-F439 AromaticContact CZ-CE2 3.65Å; F350-F439 HydrophobicContact CZ-CE2 3.65Å; F350-F439 AromaticContact CZ-CZ 3.77Å; F350-F439 HydrophobicContact CZ-CZ 3.77Å; F362-F439 HydrophobicContact CB-CE1 4.01Å; F362-F439 HydrophobicContact CB-CZ 4.41Å; F362-F439 AromaticContact CD2-CE1 3.5Å; F362-F439 HydrophobicContact CD2-CE1 3.5Å; F362-F439 HydrophobicContact CD2-CZ 4.02Å; F362-F439 HydrophobicContact CE2-CE1 4.13Å; F362-F439 HydrophobicContact CE2-CZ 4.43Å; F362-F439 AromaticContact CG-CE1 3.82Å; F362-F439 HydrophobicContact CG-CE1 3.82Å; F362-F439 HydrophobicContact CG-CZ 4.06Å; L386-F439 HydrophobicContact CD2-CE1 3.92Å; L386-F439 HydrophobicContact CD2-CE2 3.77Å; L386-F439 HydrophobicContact CD2-CZ 3.32Å; M430-F439 HydrophobicContact CE-CE2 4.49Å; M430-F439 HydrophobicContact SD-CE2 3.95Å; F435-F439 HydrophobicContact CD2-CB 4.31Å; F435-F439 HydrophobicContact CD2-CD1 4.45Å; F435-F439 AromaticContact CD2-CD2 3.34Å; F435-F439 HydrophobicContact CD2-CD2 3.34Å; F435-F439 AromaticContact CD2-CE2 3.67Å; F435-F439 HydrophobicContact CD2-CE2 3.67Å; F435-F439 AromaticContact CD2-CG 3.78Å; F435-F439 HydrophobicContact CD2-CG 3.78Å; F435-F439 HydrophobicContact CD2-CZ 4.36Å; F435-F439 HydrophobicContact CE2-CB 3.94Å; F435-F439 AromaticContact CE2-CD1 3.91Å; F435-F439 HydrophobicContact CE2-CD1 3.91Å; F435-F439 AromaticContact CE2-CD2 3.62Å; F435-F439 HydrophobicContact CE2-CD2 3.62Å; F435-F439 HydrophobicContact CE2-CE1 4.31Å; F435-F439 HydrophobicContact CE2-CE2 4.06Å; F435-F439 AromaticContact CE2-CG 3.53Å; F435-F439 HydrophobicContact CE2-CG 3.53Å; F435-F439 HydrophobicContact CE2-CZ 4.4Å; F435-F439 HydrophobicContact CG-CD2 4.22Å; F435-F439 HydrophobicContact CZ-CB 4.28Å; F435-F439 HydrophobicContact CZ-CG 4.34Å; F435-F439 WeakPolarHBondContact O-CB 3.4Å; F435-F439 WeakPolarHBondContact O-CD2 3.31Å; F435-F439 PolarHBondContact O-N 2.93Å
440	D	87.6	Confident	90	Very high	17 Å²	17	23 Å²	23	9%	0.091	13%	0.131	C	C	.	.	S	Bend	trans	-101.2	-35.5	-178	-63.8	-90.9	0	0	0	112.5	T307 L308 A311 R339 I340 K341	T307-D440 CarbonylContact C-O 3.56Å; T307-D440 WeakPolarHBondContact CA-O 3.16Å; L308-D440 PolarHBondContact N-O 3.04Å; A311-D440 VanDerWaalsContact CA-OD1 3.31Å; A311-D440 WeakPolarHBondContact CA-OD1 3.4Å; A311-D440 HydrophobicContact CB-CB 3.88Å; R339-D440 PolarHBondContact O-N 2.85Å; I340-D440 VanDerWaalsContact CA-OD2 3.27Å; I340-D440 WeakPolarHBondContact CA-OD2 3.36Å; K341-D440 HydrophobicContact CB-CB 4.07Å; K341-D440 PolarHBondContact N-OD2 3.44Å
441	Y	91.2	Very high	89.1	Confident	31 Å²	31	24.3 Å²	24.3	12%	0.122	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	144.6	-176.2	-48.8	-74.9	0	0	0	111.4	Y306 T307 D313 A338 R339 K341	Y306-Y441 WeakPolarHBondContact O-CA 3.29Å; T307-Y441 HydrophobicContact CG2-CD1 4.37Å; T307-Y441 HydrophobicContact CG2-CE1 4.26Å; D313-Y441 PolarHBondContact OD2-OH 3.14Å; A338-Y441 CarbonylContact C-O 3.33Å; A338-Y441 WeakPolarHBondContact CA-O 3.42Å; A338-Y441 WeakPolarHBondContact CB-O 3.23Å; R339-Y441 HydrophobicContact CB-CD2 4.21Å; R339-Y441 PolarHBondContact N-O 2.92Å; R339-Y441 PolarHBondContact O-N 2.83Å; K341-Y441 HydrophobicContact CB-CE2 3.93Å; K341-Y441 HydrophobicContact CD-CE2 4.42Å; K341-Y441 WeakPolarHBondContact CD-OH 3.24Å; K341-Y441 HydrophobicContact CG-CE2 4.45Å
442	L	93.9	Very high	88.1	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	122.6	174.1	170.3	66.6	0	0	0	108.5	S305 Y306 L308 L322 L326 I336 L364 F435 I444	S305-L442 WeakPolarHBondContact CA-O 3.5Å; Y306-L442 HydrophobicContact CD2-CD2 4.4Å; Y306-L442 PolarHBondContact N-O 3.27Å; Y306-L442 PolarHBondContact O-N 3.05Å; L308-L442 HydrophobicContact CD1-CB 4.48Å; L308-L442 HydrophobicContact CD2-CB 4.34Å; L308-L442 HydrophobicContact CG-CB 4.46Å; L322-L442 HydrophobicContact CD1-CD2 3.77Å; L322-L442 HydrophobicContact CD2-CD2 4.11Å; L322-L442 HydrophobicContact CG-CD2 4.47Å; L326-L442 HydrophobicContact CD2-CD2 4.37Å; I336-L442 HydrophobicContact CG2-CD1 3.51Å; L364-L442 HydrophobicContact CD2-CD1 4.22Å; F435-L442 HydrophobicContact CE1-CD2 4.38Å; F435-L442 HydrophobicContact CZ-CB 4.49Å; F435-L442 HydrophobicContact CZ-CD1 4.1Å; L442-I444 HydrophobicContact CD1-CG1 4.3Å; L442-I444 HydrophobicContact CD2-CD1 4.24Å; L442-I444 HydrophobicContact CD2-CG1 4.45Å; L442-I444 HydrophobicContact CG-CD1 4.46Å; L442-I444 HydrophobicContact CG-CG1 4.14Å
443	D	94.8	Very high	86.9	Confident	4 Å²	4	29.2 Å²	29.2	2%	0.021	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122.2	177.8	-60.8	-72.2	0	0	0	108.8	M295 T303 E304 S305 I336 T337 R339	M295-D443 HydrophobicContact CE-CB 3.53Å; T303-D443 HydrophobicContact CG2-CB 4.06Å; E304-D443 CarbonylContact O-C 3.32Å; E304-D443 WeakPolarHBondContact O-CA 3.46Å; S305-D443 VanDerWaalsContact CB-OD1 3.23Å; S305-D443 WeakPolarHBondContact CB-OD1 3.4Å; S305-D443 PolarHBondContact OG-OD1 2.85Å; I336-D443 WeakPolarHBondContact CA-O 3.37Å; T337-D443 PolarHBondContact N-O 2.76Å; T337-D443 PolarHBondContact O-N 3.04Å; R339-D443 IonicContact NE-OD2 2.77Å; R339-D443 IonicContact NH2-OD2 2.65Å; R339-D443 PolarHBondContact NH2-OD2 3.05Å
444	I	95.3	Very high	85.3	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	103.5	-179.5	-55.4	176	0	0	0	108.5	T303 E304 Y306 I325 L326 I336 L442 H446	T303-I444 CarbonylContact C-O 3.51Å; T303-I444 VanDerWaalsContact CA-O 3.32Å; T303-I444 WeakPolarHBondContact CA-O 3.41Å; E304-I444 PolarHBondContact N-O 3.44Å; E304-I444 PolarHBondContact O-N 3.21Å; Y306-I444 HydrophobicContact CD2-CD1 4.43Å; Y306-I444 HydrophobicContact CE2-CD1 4.16Å; I325-I444 HydrophobicContact CG2-CD1 4.06Å; L326-I444 HydrophobicContact CD2-CD1 4.01Å; I336-I444 HydrophobicContact CG1-CG1 4.49Å; I336-I444 HydrophobicContact CG1-CG2 4.2Å; I336-I444 HydrophobicContact CG2-CG1 4.19Å; L442-I444 HydrophobicContact CD1-CG1 4.3Å; L442-I444 HydrophobicContact CD2-CD1 4.24Å; L442-I444 HydrophobicContact CD2-CG1 4.45Å; L442-I444 HydrophobicContact CG-CD1 4.46Å; L442-I444 HydrophobicContact CG-CG1 4.14Å; I444-H446 WeakPolarHBondContact CG2-CE1 3.35Å
445	C	95	Very high	83.6	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	105.2	177	172.9	0	0	0	0	111	M295 T299 T303 S334 L335	M295-C445 HydrophobicContact CB-CB 3.9Å; M295-C445 HydrophobicContact CE-CB 3.74Å; M295-C445 HydrophobicContact CG-CB 4.42Å; M295-C445 HydrophobicContact SD-CB 3.7Å; T299-C445 PolarHBondContact OG1-SG 3.23Å; T303-C445 WeakPolarHBondContact OG1-CB 3.13Å; S334-C445 CarbonylContact C-O 3.49Å; S334-C445 VanDerWaalsContact CA-O 3.28Å; S334-C445 WeakPolarHBondContact CA-O 3.25Å; S334-C445 WeakPolarHBondContact CB-O 3.23Å; L335-C445 HydrophobicContact CB-CB 4.19Å; L335-C445 PolarHBondContact N-O 2.9Å; L335-C445 PolarHBondContact O-N 3.03Å
446	H	93.6	Very high	81.5	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	125.1	175.4	-62.9	-52.2	0	0	0	111.2	G301 L302 E304 S329 S334 I444 T448 F467 R579 L607	G301-H446 CarbonylContact C-O 3.56Å; G301-H446 WeakPolarHBondContact CA-O 3.34Å; L302-H446 PolarHBondContact N-O 2.88Å; L302-H446 PolarHBondContact O-N 2.77Å; E304-H446 IonicContact OE1-CD2 3.92Å; E304-H446 PolarHBondContact OE1-CD2 2.93Å; E304-H446 VanDerWaalsContact OE1-CD2 3.31Å; E304-H446 IonicContact OE1-NE2 2.85Å; E304-H446 PolarHBondContact OE1-NE2 3.14Å; S329-H446 PolarHBondContact OG-CE1 2.91Å; S334-H446 PolarHBondContact OG-ND1 3.15Å; I444-H446 WeakPolarHBondContact CG2-CE1 3.35Å; H446-T448 PolarHBondContact O-N 2.77Å; H446-F467 HydrophobicContact CB-CD2 3.97Å; H446-F467 HydrophobicContact CB-CE2 3.93Å; H446-F467 AromaticContact CE1-CZ 3.87Å; H446-F467 AromaticContact CG-CE2 3.72Å; H446-F467 AromaticContact ND1-CE2 3.32Å; H446-F467 VanDerWaalsContact ND1-CE2 3.32Å; H446-F467 WeakPolarHBondContact ND1-CE2 3.39Å; H446-F467 AromaticContact ND1-CZ 3.65Å; H446-R579 PolarHBondContact NE2-NH2 3.32Å; H446-R579 VanDerWaalsContact NE2-NH2 3.13Å; H446-L607 HydrophobicContact CB-CD1 3.56Å
447	L	90	Very high	79.4	Confident	7 Å²	7	44.5 Å²	44.5	4%	0.037	25%	0.254	C	S	.	.			trans	-78.5	121	176.6	-56.3	-178.9	0	0	0	109.9	L209 T299 R333	L209-L447 HydrophobicContact CD1-CD1 4.48Å; L209-L447 HydrophobicContact CD1-CD2 4.25Å; L209-L447 HydrophobicContact CD2-CD1 4.11Å; L209-L447 HydrophobicContact CD2-CD2 3.75Å; T299-L447 HydrophobicContact CG2-CD2 4.39Å; R333-L447 WeakPolarHBondContact O-CD1 3.44Å
448	T	85.3	Confident	77.3	Confident	11 Å²	11	43.2 Å²	43.2	7%	0.067	24%	0.241	C	C	.	.	S	Bend	trans	-88.6	-26	179.2	52.9	0	0	0	0	112.5	G300 H446 L607	G300-T448 PolarHBondContact O-OG1 3.14Å; H446-T448 PolarHBondContact O-N 2.77Å; T448-L607 HydrophobicContact CG2-CD2 3.81Å
449	E	81	Confident	75.2	Confident	71 Å²	71	47.5 Å²	47.5	33%	0.332	27%	0.273	S	S	.	.	S	Bend	trans	-123	138.3	-178.9	-68.1	176.7	-171.6	0	0	110.9	R212	R212-E449 PolarHBondContact NH2-O 3.35Å
450	P	76.1	Confident	73.2	Confident	81 Å²	81	51.5 Å²	51.5	53%	0.526	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-67.4	142.9	-177.2	29.1	-31.5	0	0	0	111.2	R212 N466	R212-P450 PolarHBondContact NH2-O 3.1Å; P450-N466 WeakPolarHBondContact CD-ND2 3.47Å
451	P	73.9	Confident	71.1	Confident	27 Å²	27	55.5 Å²	55.5	18%	0.175	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-56.3	144	-177.6	23.4	-33	0	0	0	111.1	V453	P451-V453 PolarHBondContact O-N 2.95Å
452	P	73.6	Confident	68.6	Low	12 Å²	12	61.8 Å²	61.8	8%	0.078	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-52.6	133.6	177.2	-24.8	32.5	0	0	0	112.1	V102 S208 R212 I454	V102-P452 HydrophobicContact CG1-CB 4.36Å; V102-P452 HydrophobicContact CG2-CB 4.33Å; S208-P452 WeakPolarHBondContact O-CD 3.33Å; R212-P452 HydrophobicContact CB-CG 3.84Å; R212-P452 HydrophobicContact CG-CG 4.22Å; P452-I454 PolarHBondContact O-N 3.19Å
453	V	68.5	Low	66.2	Low	103 Å²	103	66.7 Å²	66.7	62%	0.624	39%	0.385	S	S	*	.			trans	-77.7	103.4	175.8	-176.6	0	0	0	0	108.6	P451 S455	P451-V453 PolarHBondContact O-N 2.95Å; V453-S455 WeakPolarHBondContact CG1-O 3.22Å
454	I	59.7	Low	64	Low	105 Å²	105	70.5 Å²	70.5	54%	0.538	41%	0.405	S	S	.	.			trans	-80.9	-23.8	-177.9	-54.1	174	0	0	0	111.8	S211 P452	S211-I454 WeakPolarHBondContact OG-CD1 3.49Å; P452-I454 PolarHBondContact O-N 3.19Å
455	S	53.2	Low	62.1	Low	58 Å²	58	78 Å²	78	41%	0.406	44%	0.44	S	S	.	.			trans	-146.3	137	179.2	168.1	0	0	0	0	111.8	V453 S457	V453-S455 WeakPolarHBondContact CG1-O 3.22Å; S455-S457 PolarHBondContact O-N 2.98Å; S455-S457 VanDerWaalsContact O-N 3.13Å; S455-S457 PolarHBondContact OG-N 2.71Å; S455-S457 VanDerWaalsContact OG-N 3.15Å; S455-S457 PolarHBondContact OG-OG 2.82Å; S455-S457 VanDerWaalsContact OG-OG 3.14Å
456	K	49.4	Very low	60.6	Low	218 Å²	218	80.7 Å²	80.7	95%	0.948	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-8.6	174.9	-67.3	-177.1	178.9	179.4	0	113.8	S458	K456-S458 PolarHBondContact O-N 3.32Å
457	S	44.6	Very low	59.4	Low	103 Å²	103	81 Å²	81	72%	0.72	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	7.7	-170.7	81.2	0	0	0	0	115.5	S455	S455-S457 PolarHBondContact O-N 2.98Å; S455-S457 VanDerWaalsContact O-N 3.13Å; S455-S457 PolarHBondContact OG-N 2.71Å; S455-S457 VanDerWaalsContact OG-N 3.15Å; S455-S457 PolarHBondContact OG-OG 2.82Å; S455-S457 VanDerWaalsContact OG-OG 3.14Å
458	S	42.7	Very low	59	Low	40 Å²	40	82.3 Å²	82.3	28%	0.28	46%	0.464	S	S	.	.			trans	-116.6	77.4	-179.1	41.2	0	0	0	0	110.7	K456 A460 Y461	K456-S458 PolarHBondContact O-N 3.32Å; S458-A460 PolarHBondContact O-N 3.19Å; S458-Y461 VanDerWaalsContact CB-CD2 3.43Å; S458-Y461 VanDerWaalsContact CB-CE2 3.48Å; S458-Y461 WeakPolarHBondContact O-CD2 3.29Å; S458-Y461 PolarHBondContact O-N 2.9Å; S458-Y461 VanDerWaalsContact OG-CD2 3.23Å; S458-Y461 WeakPolarHBondContact OG-CD2 3.49Å; S458-Y461 WeakPolarHBondContact OG-CE2 3.33Å
459	S	42.5	Very low	59.1	Low	108 Å²	108	83.9 Å²	83.9	76%	0.755	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-58.2	-9.5	173.2	51.9	0	0	0	0	114.1
460	A	44.6	Very low	59.6	Low	85 Å²	85	82 Å²	82	70%	0.702	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-81.3	-5.1	176.7	0	0	0	0	0	114.8	S458 H462	S458-A460 PolarHBondContact O-N 3.19Å; A460-H462 VanDerWaalsContact C-N 3.3Å; A460-H462 PolarHBondContact O-N 3.38Å
461	Y	44.1	Very low	60.4	Low	102 Å²	102	81.2 Å²	81.2	40%	0.4	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-82.6	-0.1	179.5	-79.1	-85.2	0	0	0	114.5	R333 S458 S463	R333-Y461 VanDerWaalsContact NH1-CE1 3.34Å; S458-Y461 VanDerWaalsContact CB-CD2 3.43Å; S458-Y461 VanDerWaalsContact CB-CE2 3.48Å; S458-Y461 WeakPolarHBondContact O-CD2 3.29Å; S458-Y461 PolarHBondContact O-N 2.9Å; S458-Y461 VanDerWaalsContact OG-CD2 3.23Å; S458-Y461 WeakPolarHBondContact OG-CD2 3.49Å; S458-Y461 WeakPolarHBondContact OG-CE2 3.33Å; Y461-S463 PolarHBondContact O-N 2.84Å
462	H	38.6	Very low	61.4	Low	163 Å²	163	81.4 Å²	81.4	76%	0.755	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	18.3	-161.8	-79.3	-53.1	0	0	0	117.9	A460	A460-H462 VanDerWaalsContact C-N 3.3Å; A460-H462 PolarHBondContact O-N 3.38Å
463	S	44.7	Very low	62.4	Low	103 Å²	103	87.2 Å²	87.2	72%	0.72	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.6	31.6	177.1	76.5	0	0	0	0	116.5	Y461	Y461-S463 PolarHBondContact O-N 2.84Å
464	L	48.7	Very low	63.6	Low	84 Å²	84	83 Å²	83	44%	0.44	46%	0.456	S	S	.	.			trans	-100.8	127.2	179.2	-74.4	163	0	0	0	111.5	R333 N466	R333-L464 VanDerWaalsContact NH2-CD1 3.29Å; L464-N466 PolarHBondContact O-N 2.79Å; L464-N466 VanDerWaalsContact O-N 3.15Å
465	H	55.1	Low	65.3	Low	157 Å²	157	83.6 Å²	83.6	73%	0.727	45%	0.451	S	S	*	.			trans	-74.8	96.2	-176.4	-69.5	-85.9	0	0	0	110.6	R332	R332-H465 WeakPolarHBondContact CG-O 3.45Å
466	N	62.2	Low	67.4	Low	56 Å²	56	81 Å²	81	30%	0.299	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-59.1	155.1	162.8	-69.4	-11.6	0	0	0	109.9	P450 L464 P468	P450-N466 WeakPolarHBondContact CD-ND2 3.47Å; L464-N466 PolarHBondContact O-N 2.79Å; L464-N466 VanDerWaalsContact O-N 3.15Å; N466-P468 WeakPolarHBondContact O-CD 3.48Å
467	F	68.5	Low	69.6	Low	7 Å²	7	71.7 Å²	71.7	3%	0.031	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-61.4	120.3	170	-75.7	-83.9	0	0	0	109.4	R332 H446 S469 L607 F608	R332-F467 HydrophobicContact CB-CD2 4.38Å; R332-F467 HydrophobicContact CB-CE2 3.88Å; R332-F467 HydrophobicContact CG-CE2 4.25Å; H446-F467 HydrophobicContact CB-CD2 3.97Å; H446-F467 HydrophobicContact CB-CE2 3.93Å; H446-F467 AromaticContact CE1-CZ 3.87Å; H446-F467 AromaticContact CG-CE2 3.72Å; H446-F467 AromaticContact ND1-CE2 3.32Å; H446-F467 VanDerWaalsContact ND1-CE2 3.32Å; H446-F467 WeakPolarHBondContact ND1-CE2 3.39Å; H446-F467 AromaticContact ND1-CZ 3.65Å; F467-S469 PolarHBondContact O-N 2.87Å; F467-S469 VanDerWaalsContact O-N 3.13Å; F467-L607 HydrophobicContact CB-CB 4.28Å; F467-L607 HydrophobicContact CB-CD2 4.04Å; F467-L607 HydrophobicContact CD1-CB 4.23Å; F467-L607 HydrophobicContact CG-CB 4.43Å; F467-L607 HydrophobicContact CG-CD1 4.42Å; F467-F608 WeakPolarHBondContact CD1-O 3.46Å
468	P	82.2	Confident	72	Confident	34 Å²	34	72.7 Å²	72.7	22%	0.221	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-50.8	123.4	160.8	-22.6	31.9	0	0	0	108.4	N466 F608 P611	N466-P468 WeakPolarHBondContact O-CD 3.48Å; P468-F608 HydrophobicContact CB-CB 4.42Å; P468-F608 WeakPolarHBondContact CD-O 3.27Å; P468-F608 PolarHBondContact O-N 2.86Å; P468-P611 HydrophobicContact CB-CB 4.15Å; P468-P611 HydrophobicContact CG-CB 3.8Å; P468-P611 HydrophobicContact CG-CG 4.46Å
469	S	87.4	Confident	74.3	Confident	44 Å²	44	71 Å²	71	31%	0.308	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	147.6	-173.4	59.4	0	0	0	0	111.5	F467 L606	F467-S469 PolarHBondContact O-N 2.87Å; F467-S469 VanDerWaalsContact O-N 3.13Å; S469-L606 WeakPolarHBondContact CA-O 3.26Å
470	V	91.6	Very high	76.8	Confident	32 Å²	32	65.9 Å²	65.9	19%	0.194	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	127.5	177.3	170.8	0	0	0	0	108.4	L472 R605 L606 F608 C615	V470-L472 HydrophobicContact CG1-CD1 3.91Å; V470-L472 HydrophobicContact CG1-CD2 4.07Å; V470-L472 HydrophobicContact CG1-CG 3.72Å; V470-R605 CarbonylContact O-C 3.43Å; V470-R605 VanDerWaalsContact O-CA 3.32Å; V470-R605 WeakPolarHBondContact O-CA 3.32Å; V470-L606 HydrophobicContact CB-CB 4.49Å; V470-L606 HydrophobicContact CG1-CD1 4.47Å; V470-L606 PolarHBondContact N-O 3.36Å; V470-L606 PolarHBondContact O-N 3.36Å; V470-F608 HydrophobicContact CB-CE2 4.39Å; V470-F608 HydrophobicContact CG2-CE2 3.92Å; V470-C615 HydrophobicContact CG1-CB 4.07Å; V470-C615 WeakPolarHBondContact CG1-O 3.2Å
471	H	93.1	Very high	79.3	Confident	65 Å²	65	61.9 Å²	61.9	30%	0.301	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	114.1	179.7	-62.9	161.6	0	0	0	110	L603 L604	H471-L603 HydrophobicContact CB-CD1 4.34Å; H471-L604 CarbonylContact C-O 3.59Å; H471-L604 WeakPolarHBondContact CA-O 3.47Å
472	L	94.5	Very high	81.8	Confident	31 Å²	31	57.3 Å²	57.3	16%	0.162	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	123.2	-175.9	-58.2	172.1	0	0	0	110.3	V470 F498 L604 C615	V470-L472 HydrophobicContact CG1-CD1 3.91Å; V470-L472 HydrophobicContact CG1-CD2 4.07Å; V470-L472 HydrophobicContact CG1-CG 3.72Å; L472-F498 HydrophobicContact CB-CD1 4.3Å; L472-F498 HydrophobicContact CB-CE1 3.77Å; L472-F498 HydrophobicContact CD1-CD1 3.45Å; L472-F498 VanDerWaalsContact CD1-CD1 3.45Å; L472-F498 HydrophobicContact CD1-CE1 3.79Å; L472-F498 HydrophobicContact CD1-CG 4.44Å; L472-F498 HydrophobicContact CG-CD1 4.47Å; L472-F498 HydrophobicContact CG-CE1 4.36Å; L472-L604 HydrophobicContact CB-CB 4.41Å; L472-L604 PolarHBondContact N-O 2.81Å; L472-L604 PolarHBondContact O-N 2.81Å; L472-C615 HydrophobicContact CD1-CB 4.47Å
473	R	94.5	Very high	84.6	Confident	133 Å²	133	49.5 Å²	49.5	50%	0.502	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	142.2	176	-69.3	178.3	-179	-94.1	-2.9	110.2	F236 G237 L603	F236-R473 PolarHBondContact O-NH1 3.4Å; F236-R473 VanDerWaalsContact O-NH1 3.1Å; F236-R473 PolarHBondContact O-NH2 3.1Å; G237-R473 VanDerWaalsContact C-NH2 3.35Å; G237-R473 PolarHBondContact O-NH2 2.66Å; R473-L603 HydrophobicContact CG-CD1 3.84Å
474	G	94.2	Very high	87	Confident	16 Å²	16	44.6 Å²	44.6	17%	0.165	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	175	174.5	0	0	0	0	0	113	F602	G474-F602 VanDerWaalsContact C-CE1 3.41Å; G474-F602 VanDerWaalsContact CA-CZ 3.46Å; G474-F602 PolarHBondContact N-O 2.91Å; G474-F602 PolarHBondContact O-N 2.9Å
475	R	95.9	Very high	89.3	Confident	116 Å²	116	41.8 Å²	41.8	44%	0.438	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	138.1	-178.1	-51.7	-179.9	86.9	-170.7	8.5	111	L477 S481 P496 G600 E601 F602	R475-L477 HydrophobicContact CB-CD2 3.91Å; R475-L477 HydrophobicContact CB-CG 3.95Å; R475-S481 PolarHBondContact O-OG 2.91Å; R475-P496 WeakPolarHBondContact O-CG 3.37Å; R475-G600 CarbonylContact C-O 3.55Å; R475-G600 VanDerWaalsContact CA-O 3.3Å; R475-G600 WeakPolarHBondContact CA-O 3.23Å; R475-E601 HydrophobicContact CG-CG 4.17Å; R475-E601 IonicContact CZ-OE1 3.81Å; R475-E601 IonicContact NE-OE1 3.04Å; R475-E601 PolarHBondContact NE-OE1 3.3Å; R475-E601 IonicContact NH2-OE1 3.52Å; R475-E601 PolarHBondContact NH2-OE1 3.04Å; R475-F602 VanDerWaalsContact N-CE1 3.33Å
476	W	96.8	Very high	91.1	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.015	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	110.7	159.2	-56.1	-65.4	0	0	0	107.6	L520 I538 P591 T593 Q598 P599 G600 F602	W476-L520 HydrophobicContact CH2-CD2 4.27Å; W476-L520 HydrophobicContact CZ2-CD2 4.13Å; W476-I538 HydrophobicContact CH2-CB 4.25Å; W476-I538 HydrophobicContact CH2-CG2 3.53Å; W476-I538 HydrophobicContact CZ2-CG2 4.46Å; W476-I538 HydrophobicContact CZ3-CG2 3.85Å; W476-P591 HydrophobicContact CZ2-CB 4.38Å; W476-P591 PolarHBondContact NE1-O 2.89Å; W476-P591 VanDerWaalsContact NE1-O 3.07Å; W476-T593 HydrophobicContact CD2-CG2 3.95Å; W476-T593 HydrophobicContact CE3-CG2 3.86Å; W476-T593 HydrophobicContact CH2-CG2 4.31Å; W476-T593 HydrophobicContact CZ2-CG2 4.39Å; W476-T593 HydrophobicContact CZ3-CG2 4.05Å; W476-Q598 WeakPolarHBondContact CB-O 2.95Å; W476-P599 WeakPolarHBondContact O-CA 3.47Å; W476-G600 PolarHBondContact N-O 3.38Å; W476-G600 PolarHBondContact O-N 2.67Å; W476-F602 AromaticContact CD2-CD1 3.73Å; W476-F602 HydrophobicContact CD2-CD1 3.73Å; W476-F602 HydrophobicContact CD2-CE1 4.16Å; W476-F602 AromaticContact CE2-CD1 3.52Å; W476-F602 AromaticContact CE2-CE1 3.82Å; W476-F602 AromaticContact CE3-CD1 3.97Å; W476-F602 HydrophobicContact CE3-CD1 3.97Å; W476-F602 HydrophobicContact CG-CD1 4.38Å; W476-F602 HydrophobicContact CG-CE1 4.4Å; W476-F602 HydrophobicContact CH2-CB 3.68Å; W476-F602 AromaticContact CH2-CD1 3.85Å; W476-F602 HydrophobicContact CH2-CD1 3.85Å; W476-F602 HydrophobicContact CH2-CG 4.04Å; W476-F602 HydrophobicContact CZ2-CB 4.18Å; W476-F602 AromaticContact CZ2-CD1 3.6Å; W476-F602 HydrophobicContact CZ2-CD1 3.6Å; W476-F602 HydrophobicContact CZ2-CE1 4.19Å; W476-F602 HydrophobicContact CZ2-CG 4.03Å; W476-F602 HydrophobicContact CZ3-CB 3.93Å; W476-F602 HydrophobicContact CZ3-CD1 4.03Å; W476-F602 HydrophobicContact CZ3-CG 4.42Å; W476-F602 AromaticContact NE1-CE1 3.82Å
477	L	95.8	Very high	92.5	Very high	22 Å²	22	40.8 Å²	40.8	12%	0.115	19%	0.187	C	C	.	.			trans	-107.4	126.7	-177.5	-62.7	174.5	0	0	0	108.2	R475 V480 S481 C482 H751	R475-L477 HydrophobicContact CB-CD2 3.91Å; R475-L477 HydrophobicContact CB-CG 3.95Å; L477-V480 HydrophobicContact CB-CB 3.97Å; L477-V480 HydrophobicContact CB-CG2 4.41Å; L477-V480 PolarHBondContact O-N 2.82Å; L477-S481 PolarHBondContact N-OG 2.75Å; L477-S481 PolarHBondContact O-N 2.79Å; L477-C482 PolarHBondContact O-N 3.24Å; L477-C482 PolarHBondContact O-SG 2.94Å; L477-H751 HydrophobicContact CD1-CB 4.41Å
478	R	93.7	Very high	93.7	Very high	124 Å²	124	42.8 Å²	42.8	47%	0.468	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	139	-176.3	-154.7	169.2	-174.8	-170.1	4.1	109.8	V480 C482 W766	R478-V480 PolarHBondContact O-N 3.17Å; R478-C482 PolarHBondContact N-SG 2.69Å; R478-C482 VanDerWaalsContact N-SG 3.43Å; R478-W766 HydrophobicContact CB-CH2 3.72Å; R478-W766 HydrophobicContact CB-CZ2 3.82Å; R478-W766 HydrophobicContact CB-CZ3 4.4Å; R478-W766 HydrophobicContact CG-CH2 3.95Å; R478-W766 HydrophobicContact CG-CZ2 3.52Å; R478-W766 WeakPolarHBondContact O-CZ3 3.46Å
479	G	92.1	Very high	94.1	Very high	5 Å²	5	46.8 Å²	46.8	5%	0.052	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	-1.5	-173	0	0	0	0	0	116.1	S735	G479-S735 WeakPolarHBondContact CA-OG 3.27Å; G479-S735 VanDerWaalsContact O-CB 3.32Å; G479-S735 WeakPolarHBondContact O-CB 3.32Å; G479-S735 PolarHBondContact O-OG 3.27Å
480	V	95.5	Very high	94.3	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.006	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-53.7	-175.6	178.8	0	0	0	0	112.6	L477 R478 R739 H751 F754 V758	L477-V480 HydrophobicContact CB-CB 3.97Å; L477-V480 HydrophobicContact CB-CG2 4.41Å; L477-V480 PolarHBondContact O-N 2.82Å; R478-V480 PolarHBondContact O-N 3.17Å; V480-R739 PolarHBondContact O-NH1 2.86Å; V480-H751 HydrophobicContact CG1-CB 3.96Å; V480-F754 HydrophobicContact CB-CD1 4.33Å; V480-F754 HydrophobicContact CG1-CD1 3.82Å; V480-F754 HydrophobicContact CG2-CD1 3.85Å; V480-F754 HydrophobicContact CG2-CE1 4.31Å; V480-V758 HydrophobicContact CG2-CB 4.24Å; V480-V758 HydrophobicContact CG2-CG2 3.83Å
481	S	96.3	Very high	94.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140.9	10.6	-169	67.6	0	0	0	0	114.8	R475 L477 G483 A494 N495 H751	R475-S481 PolarHBondContact O-OG 2.91Å; L477-S481 PolarHBondContact N-OG 2.75Å; L477-S481 PolarHBondContact O-N 2.79Å; S481-G483 PolarHBondContact O-N 2.83Å; S481-A494 WeakPolarHBondContact CA-O 3.04Å; S481-A494 WeakPolarHBondContact CB-O 3.33Å; S481-N495 WeakPolarHBondContact O-CA 3.39Å; S481-N495 PolarHBondContact O-OD1 3.46Å; S481-H751 WeakPolarHBondContact CB-ND1 2.96Å
482	C	96.9	Very high	94.7	Very high	6 Å²	6	43.9 Å²	43.9	4%	0.041	20%	0.2	C	C	.	.			trans	-82	59.7	172.6	-63.3	0	0	0	0	111.7	L477 R478 G484 A596 D597 Q598	L477-C482 PolarHBondContact O-N 3.24Å; L477-C482 PolarHBondContact O-SG 2.94Å; R478-C482 PolarHBondContact N-SG 2.69Å; R478-C482 VanDerWaalsContact N-SG 3.43Å; C482-G484 PolarHBondContact O-N 2.81Å; C482-A596 WeakPolarHBondContact O-CA 2.64Å; C482-D597 PolarHBondContact O-N 3.21Å; C482-Q598 PolarHBondContact SG-O 3.04Å
483	G	96.8	Very high	94.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	19%	0.193	C	C	.	.			trans	-74.7	-22.1	-168.4	0	0	0	0	0	115.3	S481 S491 H492 N495	S481-G483 PolarHBondContact O-N 2.83Å; G483-S491 WeakPolarHBondContact CA-O 3.41Å; G483-S491 CarbonylContact O-C 3.58Å; G483-S491 VanDerWaalsContact O-C 3.29Å; G483-S491 WeakPolarHBondContact O-CB 3.39Å; G483-S491 PolarHBondContact O-OG 2.9Å; G483-H492 PolarHBondContact O-N 2.89Å; G483-N495 WeakPolarHBondContact CA-ND2 3.47Å; G483-N495 PolarHBondContact N-OD1 2.77Å; G483-N495 VanDerWaalsContact N-OD1 3.11Å
484	G	96.4	Very high	94.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.169	C	C	.	.			trans	73.2	-174	-175.2	0	0	0	0	0	113	C482 H492 N495 C592 T593	C482-G484 PolarHBondContact O-N 2.81Å; G484-H492 PolarHBondContact O-ND1 3.44Å; G484-N495 PolarHBondContact N-ND2 3.4Å; G484-N495 PolarHBondContact N-OD1 2.82Å; G484-N495 PolarHBondContact O-ND2 2.87Å; G484-C592 WeakPolarHBondContact O-CB 3.4Å; G484-T593 CarbonylContact C-O 3.6Å; G484-T593 VanDerWaalsContact C-O 3.24Å; G484-T593 VanDerWaalsContact CA-O 3.22Å; G484-T593 WeakPolarHBondContact CA-O 3.17Å
485	R	95.3	Very high	94.9	Very high	25 Å²	25	35.5 Å²	35.5	9%	0.094	16%	0.161	C	C	.	.			trans	-75.5	167.9	-176	77.3	-178.9	-174.7	-95	11.4	113.5	D46 Y487 I488 H492 F570 T593 Y594	D46-R485 IonicContact OD1-NE 3.86Å; D46-R485 PolarHBondContact OD1-NE 3.43Å; D46-R485 IonicContact OD2-CZ 2.83Å; D46-R485 VanDerWaalsContact OD2-CZ 3.25Å; D46-R485 IonicContact OD2-NE 3.46Å; D46-R485 PolarHBondContact OD2-NE 2.87Å; D46-R485 IonicContact OD2-NH2 2.88Å; D46-R485 PolarHBondContact OD2-NH2 3.41Å; R485-Y487 PolarHBondContact O-N 3.08Å; R485-I488 PolarHBondContact O-N 2.88Å; R485-H492 VanDerWaalsContact C-ND1 3.28Å; R485-F570 HydrophobicContact CB-CE1 4.17Å; R485-F570 HydrophobicContact CB-CE2 4.12Å; R485-F570 HydrophobicContact CB-CZ 3.71Å; R485-T593 PolarHBondContact N-O 2.96Å; R485-T593 VanDerWaalsContact N-O 3.08Å; R485-Y594 VanDerWaalsContact CD-CD2 3.47Å; R485-Y594 VanDerWaalsContact CD-CE2 3.45Å; R485-Y594 WeakPolarHBondContact CG-O 3.49Å; R485-Y594 VanDerWaalsContact CZ-OH 3.24Å; R485-Y594 PolarHBondContact NH1-O 2.75Å; R485-Y594 PolarHBondContact NH1-OH 2.83Å; R485-Y594 VanDerWaalsContact NH2-CZ 3.29Å; R485-Y594 PolarHBondContact NH2-OH 2.76Å
486	P	94.2	Very high	95	Very high	27 Å²	27	30.4 Å²	30.4	18%	0.175	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-28.7	-176.2	-27.6	34.8	0	0	0	115.7	I488 V541	P486-I488 PolarHBondContact O-N 3.23Å; P486-V541 HydrophobicContact CG-CB 4.32Å; P486-V541 HydrophobicContact CG-CG1 3.91Å; P486-V541 HydrophobicContact CG-CG2 3.71Å
487	Y	91.7	Very high	95	Very high	164 Å²	164	30.3 Å²	30.3	64%	0.643	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-31.8	174.8	-172.9	-98.8	0	0	0	112.5	R485 R489	R485-Y487 PolarHBondContact O-N 3.08Å; Y487-R489 VanDerWaalsContact C-N 3.29Å; Y487-R489 PolarHBondContact O-N 2.95Å
488	I	93.4	Very high	95.1	Very high	49 Å²	49	29.5 Å²	29.5	25%	0.251	14%	0.139	S	C	.	.			trans	-86.4	68.9	177.7	-45.8	179.5	0	0	0	109.4	R485 P486 A490 S491 H492 A596	R485-I488 PolarHBondContact O-N 2.88Å; P486-I488 PolarHBondContact O-N 3.23Å; I488-A490 PolarHBondContact O-N 3.03Å; I488-A490 VanDerWaalsContact O-N 3.1Å; I488-S491 VanDerWaalsContact CG2-OG 3.27Å; I488-S491 WeakPolarHBondContact CG2-OG 3.49Å; I488-S491 PolarHBondContact O-N 2.65Å; I488-S491 VanDerWaalsContact O-N 3.11Å; I488-H492 PolarHBondContact O-N 2.91Å; I488-A596 HydrophobicContact CD1-CB 4.02Å; I488-A596 HydrophobicContact CG2-CB 4.4Å
489	R	90.8	Very high	95.3	Very high	118 Å²	118	26.7 Å²	26.7	45%	0.445	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-34.4	-171.2	-65.7	-169.4	-176	166.1	7.1	114.5	Y43 Y487 S491	Y43-R489 VanDerWaalsContact CD1-NH2 3.26Å; Y43-R489 VanDerWaalsContact CE2-NH2 3.32Å; Y43-R489 PolarHBondContact OH-NH1 2.62Å; Y43-R489 VanDerWaalsContact OH-NH1 3.14Å; Y487-R489 VanDerWaalsContact C-N 3.29Å; Y487-R489 PolarHBondContact O-N 2.95Å; R489-S491 PolarHBondContact O-N 2.87Å
490	A	91.4	Very high	95.5	Very high	63 Å²	63	26.4 Å²	26.4	52%	0.521	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-30.7	-178	0	0	0	0	0	113.1	I488 W493	I488-A490 PolarHBondContact O-N 3.03Å; I488-A490 VanDerWaalsContact O-N 3.1Å; A490-W493 PolarHBondContact O-NE1 3.16Å
491	S	95.2	Very high	95.5	Very high	13 Å²	13	27 Å²	27	9%	0.091	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.5	-14.8	-170.7	56.9	0	0	0	0	114.7	G483 I488 R489 W493 A494	G483-S491 WeakPolarHBondContact CA-O 3.41Å; G483-S491 CarbonylContact O-C 3.58Å; G483-S491 VanDerWaalsContact O-C 3.29Å; G483-S491 WeakPolarHBondContact O-CB 3.39Å; G483-S491 PolarHBondContact O-OG 2.9Å; I488-S491 VanDerWaalsContact CG2-OG 3.27Å; I488-S491 WeakPolarHBondContact CG2-OG 3.49Å; I488-S491 PolarHBondContact O-N 2.65Å; I488-S491 VanDerWaalsContact O-N 3.11Å; R489-S491 PolarHBondContact O-N 2.87Å; S491-W493 PolarHBondContact O-N 2.87Å; S491-W493 VanDerWaalsContact O-N 3.1Å; S491-A494 WeakPolarHBondContact O-CB 3.49Å; S491-A494 PolarHBondContact O-N 2.69Å
492	H	96.3	Very high	95.5	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.019	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-53.8	-38.1	-175	179.6	63.1	0	0	0	113.7	G483 G484 R485 I488 A494 N495 Y543 F558	G483-H492 PolarHBondContact O-N 2.89Å; G484-H492 PolarHBondContact O-ND1 3.44Å; R485-H492 VanDerWaalsContact C-ND1 3.28Å; I488-H492 PolarHBondContact O-N 2.91Å; H492-A494 PolarHBondContact O-N 2.72Å; H492-A494 VanDerWaalsContact O-N 3.13Å; H492-N495 PolarHBondContact ND1-ND2 3.29Å; H492-N495 PolarHBondContact O-N 2.84Å; H492-N495 PolarHBondContact O-ND2 3.48Å; H492-Y543 AromaticContact NE2-CE2 3.86Å; H492-Y543 AromaticContact NE2-CZ 3.97Å; H492-Y543 PolarHBondContact NE2-OH 2.84Å; H492-F558 AromaticContact CD2-CD1 3.73Å
493	W	95.4	Very high	95.4	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.015	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-58.6	-24.3	177.9	68.2	-90	0	0	0	113.8	A490 S491 N495 Q497 R555 F558 L736 R739 I740	A490-W493 PolarHBondContact O-NE1 3.16Å; S491-W493 PolarHBondContact O-N 2.87Å; S491-W493 VanDerWaalsContact O-N 3.1Å; W493-N495 VanDerWaalsContact C-N 3.32Å; W493-N495 PolarHBondContact O-N 2.77Å; W493-Q497 PolarHBondContact O-NE2 3.33Å; W493-R555 HydrophobicContact CB-CB 4.32Å; W493-R555 HydrophobicContact CD2-CB 3.91Å; W493-R555 HydrophobicContact CG-CB 3.75Å; W493-R555 HydrophobicContact CG-CG 4.06Å; W493-F558 HydrophobicContact CB-CB 4.45Å; W493-F558 HydrophobicContact CB-CD2 3.3Å; W493-F558 HydrophobicContact CB-CE2 3.69Å; W493-F558 HydrophobicContact CB-CG 4.02Å; W493-L736 HydrophobicContact CZ2-CB 4.24Å; W493-R739 HydrophobicContact CH2-CG 4.49Å; W493-I740 HydrophobicContact CH2-CD1 3.92Å; W493-I740 HydrophobicContact CH2-CG1 3.44Å; W493-I740 VanDerWaalsContact CH2-CG1 3.44Å; W493-I740 HydrophobicContact CZ2-CD1 3.66Å; W493-I740 HydrophobicContact CZ2-CG1 3.75Å; W493-I740 HydrophobicContact CZ3-CG1 4.27Å
494	A	96	Very high	95.2	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-76.1	-19.9	-175.3	0	0	0	0	0	113.1	S481 S491 H492 L736 R739	S481-A494 WeakPolarHBondContact CA-O 3.04Å; S481-A494 WeakPolarHBondContact CB-O 3.33Å; S491-A494 WeakPolarHBondContact O-CB 3.49Å; S491-A494 PolarHBondContact O-N 2.69Å; H492-A494 PolarHBondContact O-N 2.72Å; H492-A494 VanDerWaalsContact O-N 3.13Å; A494-L736 HydrophobicContact CB-CD2 3.75Å; A494-R739 PolarHBondContact O-NH1 3.21Å
495	N	97.8	Very high	95.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-54.8	155.1	177.2	-70.4	-68.3	0	0	0	111.5	S481 G483 G484 H492 W493 V590 C592	S481-N495 WeakPolarHBondContact O-CA 3.39Å; S481-N495 PolarHBondContact O-OD1 3.46Å; G483-N495 WeakPolarHBondContact CA-ND2 3.47Å; G483-N495 PolarHBondContact N-OD1 2.77Å; G483-N495 VanDerWaalsContact N-OD1 3.11Å; G484-N495 PolarHBondContact N-ND2 3.4Å; G484-N495 PolarHBondContact N-OD1 2.82Å; G484-N495 PolarHBondContact O-ND2 2.87Å; H492-N495 PolarHBondContact ND1-ND2 3.29Å; H492-N495 PolarHBondContact O-N 2.84Å; H492-N495 PolarHBondContact O-ND2 3.48Å; W493-N495 VanDerWaalsContact C-N 3.32Å; W493-N495 PolarHBondContact O-N 2.77Å; N495-V590 HydrophobicContact CB-CG1 3.6Å; N495-C592 HydrophobicContact CB-CB 4.45Å
496	P	97.5	Very high	94.9	Very high	9 Å²	9	34.8 Å²	34.8	6%	0.058	18%	0.178	C	C	.	.			trans	-56.7	144.2	172	-25.7	39.2	0	0	0	111.4	R475 F498 P591 F602	R475-P496 WeakPolarHBondContact O-CG 3.37Å; P496-F498 HydrophobicContact CB-CE2 3.98Å; P496-P591 WeakPolarHBondContact O-CD 3.07Å; P496-F602 HydrophobicContact CB-CE1 4.4Å; P496-F602 HydrophobicContact CB-CZ 3.86Å; P496-F602 HydrophobicContact CG-CE1 3.87Å; P496-F602 HydrophobicContact CG-CZ 3.84Å
497	Q	97.3	Very high	94.6	Very high	3 Å²	3	38.8 Å²	38.8	1%	0.014	20%	0.204	C	C	.	.			trans	-123.8	141.4	-176.7	-57.8	178.5	18.3	0	0	109.8	W493 M553 L588 V590 T618	W493-Q497 PolarHBondContact O-NE2 3.33Å; Q497-M553 PolarHBondContact NE2-O 3.1Å; Q497-L588 HydrophobicContact CB-CD1 3.98Å; Q497-L588 HydrophobicContact CB-CG 4.38Å; Q497-L588 HydrophobicContact CG-CD2 4.45Å; Q497-V590 HydrophobicContact CG-CG2 4.39Å; Q497-T618 HydrophobicContact CB-CG2 4.06Å; Q497-T618 WeakPolarHBondContact CB-OG1 3.45Å; Q497-T618 WeakPolarHBondContact O-CG2 3.41Å; Q497-T618 PolarHBondContact O-N 2.82Å; Q497-T618 VanDerWaalsContact O-N 3.1Å; Q497-T618 PolarHBondContact O-OG1 3.44Å
498	F	97.5	Very high	94	Very high	4 Å²	4	38 Å²	38	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.7	-179.7	-63.5	-89.8	0	0	0	109.6	L472 P496 L588 L589 P591 F602 L604 E616	L472-F498 HydrophobicContact CB-CD1 4.3Å; L472-F498 HydrophobicContact CB-CE1 3.77Å; L472-F498 HydrophobicContact CD1-CD1 3.45Å; L472-F498 VanDerWaalsContact CD1-CD1 3.45Å; L472-F498 HydrophobicContact CD1-CE1 3.79Å; L472-F498 HydrophobicContact CD1-CG 4.44Å; L472-F498 HydrophobicContact CG-CD1 4.47Å; L472-F498 HydrophobicContact CG-CE1 4.36Å; P496-F498 HydrophobicContact CB-CE2 3.98Å; F498-L588 WeakPolarHBondContact O-CA 3.45Å; F498-L589 HydrophobicContact CB-CB 4.24Å; F498-L589 PolarHBondContact N-O 2.99Å; F498-L589 PolarHBondContact O-N 3.43Å; F498-P591 HydrophobicContact CD2-CG 3.9Å; F498-P591 HydrophobicContact CE2-CG 3.57Å; F498-F602 AromaticContact CE2-CE2 3.88Å; F498-F602 HydrophobicContact CE2-CE2 3.88Å; F498-F602 AromaticContact CE2-CZ 4Å; F498-F602 HydrophobicContact CE2-CZ 4Å; F498-F602 AromaticContact CZ-CE2 3.95Å; F498-F602 HydrophobicContact CZ-CE2 3.95Å; F498-F602 HydrophobicContact CZ-CZ 4.2Å; F498-L604 HydrophobicContact CB-CD2 4.25Å; F498-L604 HydrophobicContact CD1-CD2 4.16Å; F498-L604 HydrophobicContact CD2-CD2 3.76Å; F498-L604 HydrophobicContact CE1-CD2 4.47Å; F498-L604 HydrophobicContact CE2-CD2 4.13Å; F498-L604 HydrophobicContact CG-CD2 3.77Å; F498-L604 HydrophobicContact CZ-CD2 4.46Å; F498-E616 CarbonylContact C-O 3.49Å; F498-E616 VanDerWaalsContact CA-O 3.24Å; F498-E616 WeakPolarHBondContact CA-O 3.48Å
499	R	96.8	Very high	93.8	Very high	65 Å²	65	36.7 Å²	36.7	25%	0.245	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	123.6	176.4	-168.7	-176.9	-167.8	-170.8	3.5	108.3	V501 L545 P551 H586 Y587 C615 E616 T618	R499-V501 HydrophobicContact CG-CG2 4.19Å; R499-L545 HydrophobicContact CG-CD1 4.22Å; R499-P551 HydrophobicContact CG-CG 4.46Å; R499-H586 PolarHBondContact NH2-ND1 3.18Å; R499-Y587 WeakPolarHBondContact CA-O 3.4Å; R499-C615 VanDerWaalsContact O-CA 3.24Å; R499-C615 WeakPolarHBondContact O-CA 3.38Å; R499-E616 HydrophobicContact CB-CG 4.2Å; R499-E616 PolarHBondContact N-O 3.46Å; R499-E616 PolarHBondContact O-N 3.44Å; R499-T618 HydrophobicContact CB-CG2 4.16Å
500	L	96.9	Very high	93.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.9	172.7	168.5	65.2	0	0	0	108.8	I502 T516 L542 L582 Y587 L606 F608 I614 C615	L500-I502 HydrophobicContact CD1-CG1 4.37Å; L500-I502 HydrophobicContact CD2-CD1 4.31Å; L500-I502 HydrophobicContact CG-CD1 4.47Å; L500-I502 HydrophobicContact CG-CG1 4.33Å; L500-T516 HydrophobicContact CD2-CG2 4.29Å; L500-L542 HydrophobicContact CD2-CD1 4.39Å; L500-L582 HydrophobicContact CD2-CD1 3.98Å; L500-Y587 HydrophobicContact CG-CD2 4.5Å; L500-Y587 PolarHBondContact N-O 2.77Å; L500-Y587 PolarHBondContact O-N 3.06Å; L500-L606 HydrophobicContact CD1-CD2 4.14Å; L500-F608 HydrophobicContact CD1-CE1 3.72Å; L500-F608 HydrophobicContact CD1-CZ 3.88Å; L500-I614 CarbonylContact C-O 3.44Å; L500-I614 WeakPolarHBondContact CA-O 3.5Å; L500-C615 HydrophobicContact CD1-CB 4.27Å
501	V	96.2	Very high	93.5	Very high	13 Å²	13	38.9 Å²	38.9	8%	0.079	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	122.7	-179.7	-174	0	0	0	0	109.5	R499 R613 I614	R499-V501 HydrophobicContact CG-CG2 4.19Å; V501-R613 WeakPolarHBondContact O-CA 3.46Å; V501-I614 HydrophobicContact CB-CB 4.35Å; V501-I614 PolarHBondContact N-O 3.46Å; V501-I614 PolarHBondContact O-N 3.06Å; V501-I614 VanDerWaalsContact O-N 3.12Å
502	I	95.9	Very high	93.3	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	107.6	177	-63.2	172.8	0	0	0	107.3	L500 A514 L582 P584 G585 Y587	L500-I502 HydrophobicContact CD1-CG1 4.37Å; L500-I502 HydrophobicContact CD2-CD1 4.31Å; L500-I502 HydrophobicContact CG-CD1 4.47Å; L500-I502 HydrophobicContact CG-CG1 4.33Å; I502-A514 HydrophobicContact CD1-CB 4.38Å; I502-A514 HydrophobicContact CG2-CB 3.38Å; I502-L582 HydrophobicContact CD1-CB 3.59Å; I502-L582 HydrophobicContact CD1-CD1 3.6Å; I502-L582 HydrophobicContact CD1-CG 4.23Å; I502-P584 CarbonylContact O-C 3.23Å; I502-P584 WeakPolarHBondContact O-CA 3.39Å; I502-G585 PolarHBondContact N-O 3.32Å; I502-G585 PolarHBondContact O-N 3.41Å; I502-Y587 HydrophobicContact CD1-CD2 4.2Å; I502-Y587 HydrophobicContact CD1-CE2 3.89Å; I502-Y587 HydrophobicContact CG1-CE2 4.45Å
503	N	93.7	Very high	93.2	Very high	96 Å²	96	42.4 Å²	42.4	51%	0.513	24%	0.244	S	C	.	.			trans	-82.8	-33	-172.8	-67.4	-48.1	0	0	0	113.4	D612	N503-D612 PolarHBondContact ND2-O 3.2Å
504	S	94.4	Very high	93.2	Very high	34 Å²	34	42.2 Å²	42.2	24%	0.238	24%	0.244	C	C	.	.	S	Bend	trans	-140.7	160.6	-172	62.5	0	0	0	0	111.1	D612 R613	S504-D612 PolarHBondContact OG-OD2 2.97Å; S504-R613 PolarHBondContact O-NH1 2.93Å; S504-R613 PolarHBondContact O-NH2 3.24Å; S504-R613 PolarHBondContact OG-NH1 3.35Å
505	P	94.3	Very high	93.1	Very high	57 Å²	57	42.6 Å²	42.6	37%	0.37	25%	0.246	S	C	.	.			trans	-68.7	170.1	166.4	30.2	-35	0	0	0	111	G512 R613	P505-G512 WeakPolarHBondContact CB-O 3.34Å; P505-R613 PolarHBondContact O-NH2 3.44Å
506	D	91.3	Very high	93	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.032	25%	0.246	C	C	.	.			trans	-74.2	140.3	170	-64.9	-21.1	0	0	0	109.8	N508 D509 F513 T515 R613	D506-N508 PolarHBondContact O-N 2.8Å; D506-D509 HydrophobicContact CB-CB 4.14Å; D506-D509 PolarHBondContact O-N 2.89Å; D506-D509 VanDerWaalsContact O-N 3.13Å; D506-F513 PolarHBondContact N-O 2.85Å; D506-T515 VanDerWaalsContact OD2-CB 3.22Å; D506-T515 WeakPolarHBondContact OD2-CB 3.32Å; D506-T515 PolarHBondContact OD2-N 2.73Å; D506-T515 PolarHBondContact OD2-OG1 3.1Å; D506-R613 IonicContact OD1-CZ 3.06Å; D506-R613 IonicContact OD1-NH2 2.78Å; D506-R613 PolarHBondContact OD1-NH2 2.77Å
507	P	86	Confident	92.9	Very high	111 Å²	111	42.3 Å²	42.3	72%	0.721	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-26.6	-171.2	-28.3	34.5	0	0	0	116.1
508	N	80.3	Confident	92.9	Very high	148 Å²	148	42.1 Å²	42.1	79%	0.791	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.2	15.5	-175	-60.7	-35.7	0	0	0	112.6	D506	D506-N508 PolarHBondContact O-N 2.8Å
509	D	88	Confident	92.9	Very high	20 Å²	20	42 Å²	42	11%	0.107	24%	0.242	C	C	.	.			trans	-89.1	120.5	176.2	-170.3	-90.3	0	0	0	110.1	D506 D511 G512 F513 K581	D506-D509 HydrophobicContact CB-CB 4.14Å; D506-D509 PolarHBondContact O-N 2.89Å; D506-D509 VanDerWaalsContact O-N 3.13Å; D509-D511 VanDerWaalsContact C-N 3.26Å; D509-D511 PolarHBondContact O-N 2.62Å; D509-D511 PolarHBondContact OD1-N 2.87Å; D509-G512 PolarHBondContact O-N 3.44Å; D509-G512 PolarHBondContact OD1-N 2.92Å; D509-F513 WeakPolarHBondContact CB-O 3.49Å; D509-F513 PolarHBondContact OD1-N 3.07Å; D509-K581 IonicContact OD2-NZ 2.73Å
510	P	86.2	Confident	93	Very high	113 Å²	113	38.9 Å²	38.9	73%	0.734	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-22.9	-173	28.2	-35.2	0	0	0	113.3
511	D	90.2	Very high	93	Very high	114 Å²	114	39 Å²	39	61%	0.61	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.2	2.1	-174.1	-60.3	-49.7	0	0	0	112.3	D509 F513	D509-D511 VanDerWaalsContact C-N 3.26Å; D509-D511 PolarHBondContact O-N 2.62Å; D509-D511 PolarHBondContact OD1-N 2.87Å; D511-F513 HydrophobicContact CB-CD2 3.45Å; D511-F513 VanDerWaalsContact CB-CD2 3.45Å; D511-F513 HydrophobicContact CB-CE2 3.34Å; D511-F513 HydrophobicContact CB-CZ 4.4Å
512	G	92.2	Very high	93	Very high	29 Å²	29	38.7 Å²	38.7	30%	0.299	23%	0.229	S	C	.	.			trans	73.1	31.2	179.1	0	0	0	0	0	113.5	P505 D509	P505-G512 WeakPolarHBondContact CB-O 3.34Å; D509-G512 PolarHBondContact O-N 3.44Å; D509-G512 PolarHBondContact OD1-N 2.92Å
513	F	94.5	Very high	92.7	Very high	63 Å²	63	40.2 Å²	40.2	28%	0.276	24%	0.242	S	C	.	.			trans	-93.9	160.2	172.9	-61.9	-65.3	0	0	0	112.6	D506 D509 D511 K581 L582 T583	D506-F513 PolarHBondContact N-O 2.85Å; D509-F513 WeakPolarHBondContact CB-O 3.49Å; D509-F513 PolarHBondContact OD1-N 3.07Å; D511-F513 HydrophobicContact CB-CD2 3.45Å; D511-F513 VanDerWaalsContact CB-CD2 3.45Å; D511-F513 HydrophobicContact CB-CE2 3.34Å; D511-F513 HydrophobicContact CB-CZ 4.4Å; F513-K581 HydrophobicContact CB-CB 3.87Å; F513-K581 HydrophobicContact CB-CD 4.44Å; F513-K581 HydrophobicContact CB-CG 4.49Å; F513-K581 HydrophobicContact CD1-CB 4.49Å; F513-K581 HydrophobicContact CD2-CB 4.32Å; F513-K581 HydrophobicContact CD2-CD 4.33Å; F513-K581 HydrophobicContact CG-CB 4Å; F513-L582 CarbonylContact C-O 3.6Å; F513-T583 HydrophobicContact CD1-CG2 3.77Å; F513-T583 HydrophobicContact CE1-CG2 3.58Å
514	A	94.3	Very high	92.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	124.5	167.5	0	0	0	0	0	109.5	I502 L582	I502-A514 HydrophobicContact CD1-CB 4.38Å; I502-A514 HydrophobicContact CG2-CB 3.38Å; A514-L582 PolarHBondContact N-O 3.35Å; A514-L582 PolarHBondContact O-N 3.17Å
515	T	94	Very high	91.6	Very high	8 Å²	8	40 Å²	40	5%	0.049	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	122.7	178.4	-51.3	0	0	0	0	109.1	D506 R579	D506-T515 VanDerWaalsContact OD2-CB 3.22Å; D506-T515 WeakPolarHBondContact OD2-CB 3.32Å; D506-T515 PolarHBondContact OD2-N 2.73Å; D506-T515 PolarHBondContact OD2-OG1 3.1Å; T515-R579 HydrophobicContact CG2-CG 4.22Å
516	T	95.2	Very high	90.9	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	122.2	177.5	-57.4	0	0	0	0	109.3	L500 I518 L580 L606 F608	L500-T516 HydrophobicContact CD2-CG2 4.29Å; T516-I518 HydrophobicContact CG2-CD1 4.35Å; T516-I518 HydrophobicContact CG2-CG1 3.82Å; T516-L580 PolarHBondContact N-O 3.2Å; T516-L580 PolarHBondContact O-N 3.25Å; T516-L606 HydrophobicContact CG2-CD2 4.46Å; T516-F608 HydrophobicContact CG2-CD1 3.96Å; T516-F608 HydrophobicContact CG2-CE1 3.63Å
517	V	96.1	Very high	90.4	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	124.4	171	-174.7	0	0	0	0	107.6	L302 E304 V577 R579 L606 L607	L302-V517 HydrophobicContact CD2-CG1 3.93Å; E304-V517 HydrophobicContact CG-CG1 4.06Å; E304-V517 WeakPolarHBondContact OE1-CG1 3.41Å; E304-V517 VanDerWaalsContact OE1-CG2 3.3Å; E304-V517 WeakPolarHBondContact OE1-CG2 3.41Å; V517-V577 HydrophobicContact CG1-CG1 3.64Å; V517-R579 HydrophobicContact CG2-CB 4.33Å; V517-R579 HydrophobicContact CG2-CG 4.22Å; V517-R579 VanDerWaalsContact CG2-CZ 3.49Å; V517-L606 CarbonylContact O-C 3.46Å; V517-L606 VanDerWaalsContact O-CA 3.26Å; V517-L606 WeakPolarHBondContact O-CA 3.4Å; V517-L607 HydrophobicContact CB-CB 4.06Å; V517-L607 HydrophobicContact CB-CD1 4.49Å; V517-L607 HydrophobicContact CB-CG 4.44Å; V517-L607 HydrophobicContact CG2-CB 4.46Å; V517-L607 PolarHBondContact N-O 2.75Å; V517-L607 PolarHBondContact O-N 2.93Å
518	I	97.5	Very high	90.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.5	178.4	-53.8	175.4	0	0	0	107.8	T516 F540 V577 K578 L580 L589 L604 L606	T516-I518 HydrophobicContact CG2-CD1 4.35Å; T516-I518 HydrophobicContact CG2-CG1 3.82Å; I518-F540 HydrophobicContact CB-CD2 4.46Å; I518-F540 HydrophobicContact CB-CE1 4.04Å; I518-F540 HydrophobicContact CB-CE2 3.73Å; I518-F540 HydrophobicContact CB-CZ 3.47Å; I518-F540 VanDerWaalsContact CB-CZ 3.47Å; I518-F540 HydrophobicContact CD1-CD2 4.43Å; I518-F540 HydrophobicContact CD1-CE2 3.99Å; I518-F540 HydrophobicContact CG1-CE2 4.42Å; I518-F540 HydrophobicContact CG2-CD1 3.94Å; I518-F540 HydrophobicContact CG2-CD2 3.97Å; I518-F540 HydrophobicContact CG2-CE1 3.67Å; I518-F540 HydrophobicContact CG2-CE2 3.71Å; I518-F540 HydrophobicContact CG2-CG 4.07Å; I518-F540 HydrophobicContact CG2-CZ 3.54Å; I518-F540 WeakPolarHBondContact O-CE1 3.38Å; I518-F540 WeakPolarHBondContact O-CZ 3.33Å; I518-V577 CarbonylContact O-C 3.55Å; I518-V577 WeakPolarHBondContact O-CA 3.36Å; I518-K578 PolarHBondContact N-O 3.4Å; I518-K578 PolarHBondContact O-N 2.73Å; I518-L580 HydrophobicContact CD1-CD1 3.83Å; I518-L589 HydrophobicContact CD1-CD1 4.08Å; I518-L589 HydrophobicContact CD1-CD2 4.05Å; I518-L589 HydrophobicContact CG2-CD1 4.28Å; I518-L589 HydrophobicContact CG2-CD2 3.92Å; I518-L604 HydrophobicContact CG2-CD1 3.94Å; I518-L606 HydrophobicContact CG1-CD2 4.3Å; I518-L606 HydrophobicContact CG1-CG 4.5Å
519	A	97.4	Very high	90.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	132.1	175.7	0	0	0	0	0	110.3	L302 E575 V576 V577 R605	L302-A519 HydrophobicContact CD1-CB 3.53Å; L302-A519 HydrophobicContact CD2-CB 4.29Å; L302-A519 HydrophobicContact CG-CB 3.9Å; A519-E575 HydrophobicContact CB-CG 4.26Å; A519-E575 WeakPolarHBondContact CB-OE1 3.42Å; A519-V576 CarbonylContact C-O 3.27Å; A519-V576 WeakPolarHBondContact CA-O 3.27Å; A519-V577 HydrophobicContact CB-CB 4.35Å; A519-V577 HydrophobicContact CB-CG1 4.15Å; A519-V577 HydrophobicContact CB-CG2 3.7Å; A519-R605 HydrophobicContact CB-CB 4.27Å; A519-R605 PolarHBondContact N-O 2.94Å; A519-R605 PolarHBondContact O-N 2.99Å
520	L	98.1	Very high	89.4	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	109.3	176.8	177.1	66.9	0	0	0	109	W476 I538 G539 F540 E575 V576 P591 F602 L604	W476-L520 HydrophobicContact CH2-CD2 4.27Å; W476-L520 HydrophobicContact CZ2-CD2 4.13Å; L520-I538 HydrophobicContact CD2-CB 4.27Å; L520-I538 HydrophobicContact CG-CD1 4.36Å; L520-I538 VanDerWaalsContact O-CD1 3.25Å; L520-I538 WeakPolarHBondContact O-CD1 3.47Å; L520-G539 WeakPolarHBondContact CD2-O 3.16Å; L520-F540 HydrophobicContact CB-CD1 3.88Å; L520-F540 HydrophobicContact CB-CE1 4.5Å; L520-F540 HydrophobicContact CD2-CB 4.49Å; L520-E575 WeakPolarHBondContact O-CA 3.34Å; L520-E575 WeakPolarHBondContact O-CG 3.42Å; L520-V576 HydrophobicContact CB-CG2 3.93Å; L520-V576 PolarHBondContact N-O 2.93Å; L520-V576 PolarHBondContact O-N 2.91Å; L520-P591 HydrophobicContact CD1-CB 3.61Å; L520-P591 HydrophobicContact CD2-CB 3.74Å; L520-P591 HydrophobicContact CG-CB 4.31Å; L520-F602 HydrophobicContact CD1-CB 3.75Å; L520-F602 HydrophobicContact CD1-CD2 3.57Å; L520-F602 HydrophobicContact CD1-CE2 4.41Å; L520-F602 HydrophobicContact CD1-CG 3.84Å; L520-L604 HydrophobicContact CB-CD1 4.45Å; L520-L604 HydrophobicContact CD1-CD1 4.23Å
521	M	97.2	Very high	89	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.015	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	136.8	178.8	-175.6	175.2	-69.5	0	0	110.2	W234 F236 R574 E575 F602 L603	W234-M521 HydrophobicContact CH2-CE 4.01Å; W234-M521 HydrophobicContact CH2-SD 3.88Å; W234-M521 HydrophobicContact CZ3-CE 3.74Å; W234-M521 HydrophobicContact CZ3-SD 3.68Å; F236-M521 HydrophobicContact CD2-CG 3.91Å; F236-M521 HydrophobicContact CD2-SD 3.94Å; F236-M521 HydrophobicContact CE2-CB 4.42Å; F236-M521 HydrophobicContact CE2-CG 4.1Å; F236-M521 WeakPolarHBondContact CE2-O 3.33Å; M521-R574 CarbonylContact C-O 3.5Å; M521-R574 WeakPolarHBondContact CA-O 3.37Å; M521-R574 HydrophobicContact CG-CG 4.29Å; M521-E575 HydrophobicContact CB-CB 4.13Å; M521-E575 HydrophobicContact CB-CG 4.04Å; M521-E575 HydrophobicContact CE-CB 4.16Å; M521-E575 HydrophobicContact CE-CG 4.38Å; M521-E575 WeakPolarHBondContact CE-OE2 3.17Å; M521-E575 HydrophobicContact CG-CB 4.29Å; M521-F602 CarbonylContact O-C 3.51Å; M521-F602 WeakPolarHBondContact O-CA 3.38Å; M521-F602 VanDerWaalsContact O-CB 3.3Å; M521-F602 WeakPolarHBondContact O-CB 3.45Å; M521-L603 HydrophobicContact CB-CB 4.35Å; M521-L603 PolarHBondContact N-O 2.93Å; M521-L603 PolarHBondContact O-N 2.82Å
522	Q	95.7	Very high	88.1	Confident	7 Å²	7	46 Å²	46	3%	0.033	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	157.3	165.6	66.4	-174.8	-60.3	0	0	110.7	F236 D524 L535 A536 I538 S573 R574 E601	F236-Q522 VanDerWaalsContact CE2-C 3.47Å; Q522-D524 PolarHBondContact O-N 2.54Å; Q522-L535 HydrophobicContact CG-CD2 4.06Å; Q522-A536 PolarHBondContact NE2-O 2.73Å; Q522-I538 HydrophobicContact CB-CD1 4.08Å; Q522-I538 HydrophobicContact CB-CG2 4.46Å; Q522-I538 HydrophobicContact CG-CD1 3.98Å; Q522-S573 PolarHBondContact NE2-O 3.12Å; Q522-R574 PolarHBondContact N-O 3.42Å; Q522-E601 WeakPolarHBondContact CA-O 3.39Å
523	A	89.8	Confident	87.2	Confident	34 Å²	34	46.4 Å²	46.4	28%	0.281	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-57.1	130.7	180	0	0	0	0	0	111.9	F236 E601	F236-A523 HydrophobicContact CE1-CB 4.46Å; F236-A523 HydrophobicContact CE2-CB 4.45Å; F236-A523 HydrophobicContact CZ-CB 4.3Å; A523-E601 PolarHBondContact N-O 2.96Å
524	D	82.8	Confident	86.4	Confident	35 Å²	35	53.8 Å²	53.8	19%	0.187	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-67.7	132.5	-176.3	-167.9	-17.2	0	0	0	111.5	R235 Q522 R526 R574	R235-D524 IonicContact CZ-OD2 3.73Å; R235-D524 VanDerWaalsContact CZ-OD2 3.26Å; R235-D524 IonicContact NH1-OD2 2.81Å; R235-D524 PolarHBondContact NH1-OD2 2.82Å; R235-D524 IonicContact NH2-OD2 3.46Å; R235-D524 PolarHBondContact NH2-OD2 3.43Å; Q522-D524 PolarHBondContact O-N 2.54Å; D524-R526 WeakPolarHBondContact OD1-CB 3.4Å; D524-R526 WeakPolarHBondContact OD1-CG 3.49Å; D524-R526 PolarHBondContact OD1-N 3.25Å; D524-R526 IonicContact OD2-CZ 3.45Å; D524-R526 IonicContact OD2-NE 3.26Å; D524-R526 IonicContact OD2-NH1 3.37Å; D524-R574 HydrophobicContact CB-CG 4.43Å; D524-R574 IonicContact OD2-NH1 3.31Å
525	R	81.8	Confident	86.2	Confident	91 Å²	91	55.8 Å²	55.8	34%	0.343	26%	0.257	S	S	.	.			trans	-109.7	9.1	-178.6	-60.9	-171.1	178.1	-174.5	-7	113.4	R527 L528 P533 R534 L535	R525-R527 VanDerWaalsContact C-N 3.27Å; R525-R527 PolarHBondContact O-N 2.85Å; R525-L528 WeakPolarHBondContact O-CA 3.27Å; R525-L528 WeakPolarHBondContact O-CB 3.19Å; R525-L528 PolarHBondContact O-N 3.1Å; R525-P533 HydrophobicContact CB-CB 4.08Å; R525-P533 HydrophobicContact CB-CG 3.92Å; R525-P533 WeakPolarHBondContact O-CG 3.24Å; R525-R534 PolarHBondContact NH1-O 2.9Å; R525-L535 HydrophobicContact CB-CD2 4.08Å; R525-L535 HydrophobicContact CG-CD2 3.82Å
526	R	80.9	Confident	86.1	Confident	15 Å²	15	56.1 Å²	56.1	6%	0.057	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-55.5	-38.4	179.5	-76.4	171.8	-168.1	164.4	-3.8	113.6	W195 Y276 N280 D293 D297 D524 L528 R529	W195-R526 VanDerWaalsContact CH2-NH1 3.31Å; Y276-R526 PolarHBondContact OH-NH1 3.06Å; Y276-R526 VanDerWaalsContact OH-NH1 3.12Å; N280-R526 HydrophobicContact CB-CB 4.33Å; N280-R526 VanDerWaalsContact OD1-CB 3.31Å; N280-R526 WeakPolarHBondContact OD1-CB 3.5Å; N280-R526 VanDerWaalsContact OD1-CD 3.31Å; N280-R526 WeakPolarHBondContact OD1-CD 3.31Å; D293-R526 VanDerWaalsContact CG-NH2 3.25Å; D293-R526 IonicContact OD2-CZ 2.85Å; D293-R526 IonicContact OD2-NH2 3.18Å; D293-R526 PolarHBondContact OD2-NH2 2.73Å; D297-R526 IonicContact OD2-NH1 2.99Å; D524-R526 WeakPolarHBondContact OD1-CB 3.4Å; D524-R526 WeakPolarHBondContact OD1-CG 3.49Å; D524-R526 PolarHBondContact OD1-N 3.25Å; D524-R526 IonicContact OD2-CZ 3.45Å; D524-R526 IonicContact OD2-NE 3.26Å; D524-R526 IonicContact OD2-NH1 3.37Å; R526-L528 PolarHBondContact O-N 2.96Å; R526-R529 VanDerWaalsContact O-CB 3.24Å; R526-R529 WeakPolarHBondContact O-CB 3.45Å; R526-R529 WeakPolarHBondContact O-CG 3.41Å; R526-R529 PolarHBondContact O-N 3.24Å
527	R	80.2	Confident	86.1	Confident	177 Å²	177	56.6 Å²	56.6	67%	0.668	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-55	-25	173	-170.6	175.6	177.2	-170	0.8	113.9	N280 R525 H530	N280-R527 VanDerWaalsContact O-CA 3.24Å; N280-R527 WeakPolarHBondContact O-CA 3.2Å; R525-R527 VanDerWaalsContact C-N 3.27Å; R525-R527 PolarHBondContact O-N 2.85Å; R527-H530 PolarHBondContact O-CE1 2.81Å; R527-H530 PolarHBondContact O-ND1 2.81Å
528	L	81.1	Confident	86.1	Confident	73 Å²	73	56.5 Å²	56.5	38%	0.382	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-99.2	4.6	179.8	-62.3	175.5	0	0	0	112.5	R525 R526 H530 R531 P533	R525-L528 WeakPolarHBondContact O-CA 3.27Å; R525-L528 WeakPolarHBondContact O-CB 3.19Å; R525-L528 PolarHBondContact O-N 3.1Å; R526-L528 PolarHBondContact O-N 2.96Å; L528-H530 PolarHBondContact O-N 2.71Å; L528-R531 WeakPolarHBondContact O-CA 3.47Å; L528-R531 WeakPolarHBondContact O-CB 3.29Å; L528-R531 PolarHBondContact O-N 2.81Å; L528-P533 HydrophobicContact CB-CB 4.19Å; L528-P533 HydrophobicContact CB-CG 3.76Å; L528-P533 WeakPolarHBondContact O-CD 3.46Å; L528-P533 WeakPolarHBondContact O-CG 3.47Å
529	R	78.7	Confident	86.1	Confident	63 Å²	63	56.5 Å²	56.5	24%	0.238	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-51.2	-32.3	-176.1	-93.6	177.2	173	-159.5	-3.7	114.5	Y137 A285 N287 V288 R526 R531 A532	Y137-R529 HydrophobicContact CE1-CB 4.27Å; A285-R529 PolarHBondContact O-NH1 3.28Å; N287-R529 PolarHBondContact O-NH1 2.9Å; V288-R529 PolarHBondContact O-NH2 2.66Å; R526-R529 VanDerWaalsContact O-CB 3.24Å; R526-R529 WeakPolarHBondContact O-CB 3.45Å; R526-R529 WeakPolarHBondContact O-CG 3.41Å; R526-R529 PolarHBondContact O-N 3.24Å; R529-R531 PolarHBondContact O-N 3.07Å; R529-A532 PolarHBondContact O-N 2.88Å
530	H	72.7	Confident	86.1	Confident	98 Å²	98	56.5 Å²	56.5	45%	0.454	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-57.3	-16.1	171.6	67.3	-85.5	0	0	0	114.3	Y137 R527 L528	Y137-H530 HydrophobicContact CD1-CB 4.14Å; Y137-H530 HydrophobicContact CD2-CB 3.82Å; Y137-H530 HydrophobicContact CE2-CB 4.47Å; Y137-H530 HydrophobicContact CG-CB 3.65Å; R527-H530 PolarHBondContact O-CE1 2.81Å; R527-H530 PolarHBondContact O-ND1 2.81Å; L528-H530 PolarHBondContact O-N 2.71Å
531	R	79.1	Confident	86.1	Confident	185 Å²	185	56.6 Å²	56.6	70%	0.698	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-107.7	10.7	175.1	-49.3	-171.8	-179.2	-172.1	-6.6	113.5	L528 R529	L528-R531 WeakPolarHBondContact O-CA 3.47Å; L528-R531 WeakPolarHBondContact O-CB 3.29Å; L528-R531 PolarHBondContact O-N 2.81Å; R529-R531 PolarHBondContact O-N 3.07Å
532	A	71.5	Confident	86.1	Confident	83 Å²	83	56.4 Å²	56.4	69%	0.686	26%	0.263	S	S	*	.			trans	46.3	52.2	-175.6	0	0	0	0	0	114.4	R529 R534	R529-A532 PolarHBondContact O-N 2.88Å; A532-R534 PolarHBondContact O-N 2.8Å
533	P	71.7	Confident	86.2	Confident	38 Å²	38	56.4 Å²	56.4	25%	0.247	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-70	125.6	-176.3	32.9	-33.7	0	0	0	108.6	R525 L528	R525-P533 HydrophobicContact CB-CB 4.08Å; R525-P533 HydrophobicContact CB-CG 3.92Å; R525-P533 WeakPolarHBondContact O-CG 3.24Å; L528-P533 HydrophobicContact CB-CB 4.19Å; L528-P533 HydrophobicContact CB-CG 3.76Å; L528-P533 WeakPolarHBondContact O-CD 3.46Å; L528-P533 WeakPolarHBondContact O-CG 3.47Å
534	R	78.6	Confident	86.5	Confident	218 Å²	218	61.4 Å²	61.4	82%	0.823	27%	0.274	S	S	*	.	P	Polyproline II helix	trans	-80.9	132.7	170.8	-64.5	-173.3	-177.6	-177.2	0	109.3	R525 A532	R525-R534 PolarHBondContact NH1-O 2.9Å; A532-R534 PolarHBondContact O-N 2.8Å
535	L	89.2	Confident	87.2	Confident	41 Å²	41	60.4 Å²	60.4	22%	0.215	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-71.7	149.7	163.9	-70.5	173.6	0	0	0	108.2	Q522 R525 D572	Q522-L535 HydrophobicContact CG-CD2 4.06Å; R525-L535 HydrophobicContact CB-CD2 4.08Å; R525-L535 HydrophobicContact CG-CD2 3.82Å; L535-D572 HydrophobicContact CB-CB 4.4Å; L535-D572 VanDerWaalsContact CB-O 3.3Å; L535-D572 WeakPolarHBondContact CB-O 3.44Å; L535-D572 WeakPolarHBondContact CD1-O 3.47Å
536	A	92.5	Very high	87.7	Confident	15 Å²	15	59.4 Å²	59.4	12%	0.124	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-73.9	145.4	173.2	0	0	0	0	0	108.5	Q522 I538 T593	Q522-A536 PolarHBondContact NE2-O 2.73Å; A536-I538 HydrophobicContact CB-CG2 4.28Å; A536-I538 PolarHBondContact O-N 2.89Å; A536-T593 HydrophobicContact CB-CG2 4.04Å
537	S	95.1	Very high	88.2	Confident	10 Å²	10	63.9 Å²	63.9	7%	0.07	31%	0.314	C	S	.	.			trans	-70.7	114.6	167.1	-59	0	0	0	0	108.8	Q49 F571 T593 Y594	Q49-S537 PolarHBondContact NE2-OG 2.87Å; S537-F571 CarbonylContact C-O 3.48Å; S537-F571 WeakPolarHBondContact CA-O 3.45Å; S537-T593 CarbonylContact O-C 3.6Å; S537-T593 WeakPolarHBondContact O-CA 3.35Å; S537-Y594 PolarHBondContact O-N 2.97Å
538	I	97	Very high	88.7	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	158	-174.4	58	169.7	0	0	0	111.3	W476 L520 Q522 A536 F570 F571 V576 T593	W476-I538 HydrophobicContact CH2-CB 4.25Å; W476-I538 HydrophobicContact CH2-CG2 3.53Å; W476-I538 HydrophobicContact CZ2-CG2 4.46Å; W476-I538 HydrophobicContact CZ3-CG2 3.85Å; L520-I538 HydrophobicContact CD2-CB 4.27Å; L520-I538 HydrophobicContact CG-CD1 4.36Å; L520-I538 VanDerWaalsContact O-CD1 3.25Å; L520-I538 WeakPolarHBondContact O-CD1 3.47Å; Q522-I538 HydrophobicContact CB-CD1 4.08Å; Q522-I538 HydrophobicContact CB-CG2 4.46Å; Q522-I538 HydrophobicContact CG-CD1 3.98Å; A536-I538 HydrophobicContact CB-CG2 4.28Å; A536-I538 PolarHBondContact O-N 2.89Å; I538-F570 VanDerWaalsContact C-CD1 3.48Å; I538-F570 WeakPolarHBondContact O-CA 3.38Å; I538-F571 PolarHBondContact N-O 3.05Å; I538-F571 PolarHBondContact O-N 2.97Å; I538-F571 VanDerWaalsContact O-N 3.1Å; I538-V576 HydrophobicContact CD1-CG2 4.27Å; I538-V576 HydrophobicContact CG1-CG1 4.12Å; I538-V576 HydrophobicContact CG1-CG2 4.11Å; I538-T593 HydrophobicContact CG2-CG2 4.2Å
539	G	97.1	Very high	89.3	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170	172.8	178.9	0	0	0	0	0	111.1	L520 F570 C592	L520-G539 WeakPolarHBondContact CD2-O 3.16Å; G539-F570 VanDerWaalsContact CA-CE1 3.49Å; G539-C592 PolarHBondContact N-O 2.68Å; G539-C592 PolarHBondContact O-N 3.33Å
540	F	97.7	Very high	89.8	Confident	1 Å²	1	60 Å²	60	0%	0.004	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	157	172.3	57.2	-98.5	0	0	0	110.6	I518 L520 S566 V567 V576 K578 L589 V590	I518-F540 HydrophobicContact CB-CD2 4.46Å; I518-F540 HydrophobicContact CB-CE1 4.04Å; I518-F540 HydrophobicContact CB-CE2 3.73Å; I518-F540 HydrophobicContact CB-CZ 3.47Å; I518-F540 VanDerWaalsContact CB-CZ 3.47Å; I518-F540 HydrophobicContact CD1-CD2 4.43Å; I518-F540 HydrophobicContact CD1-CE2 3.99Å; I518-F540 HydrophobicContact CG1-CE2 4.42Å; I518-F540 HydrophobicContact CG2-CD1 3.94Å; I518-F540 HydrophobicContact CG2-CD2 3.97Å; I518-F540 HydrophobicContact CG2-CE1 3.67Å; I518-F540 HydrophobicContact CG2-CE2 3.71Å; I518-F540 HydrophobicContact CG2-CG 4.07Å; I518-F540 HydrophobicContact CG2-CZ 3.54Å; I518-F540 WeakPolarHBondContact O-CE1 3.38Å; I518-F540 WeakPolarHBondContact O-CZ 3.33Å; L520-F540 HydrophobicContact CB-CD1 3.88Å; L520-F540 HydrophobicContact CB-CE1 4.5Å; L520-F540 HydrophobicContact CD2-CB 4.49Å; F540-S566 WeakPolarHBondContact O-CA 3.47Å; F540-V567 HydrophobicContact CD1-CG1 3.6Å; F540-V567 HydrophobicContact CD2-CG1 4.21Å; F540-V567 HydrophobicContact CE1-CG1 3.42Å; F540-V567 VanDerWaalsContact CE1-CG1 3.42Å; F540-V567 HydrophobicContact CE2-CG1 4.04Å; F540-V567 HydrophobicContact CG-CG1 4.01Å; F540-V567 HydrophobicContact CZ-CG1 3.66Å; F540-V567 PolarHBondContact O-N 2.53Å; F540-V567 VanDerWaalsContact O-N 3.17Å; F540-V576 HydrophobicContact CD1-CG2 4.41Å; F540-V576 HydrophobicContact CE1-CG2 4.46Å; F540-K578 HydrophobicContact CE2-CB 4.39Å; F540-K578 HydrophobicContact CZ-CB 3.76Å; F540-L589 HydrophobicContact CB-CD1 3.86Å; F540-L589 HydrophobicContact CD2-CD1 3.73Å; F540-L589 HydrophobicContact CG-CD1 4.04Å; F540-V590 WeakPolarHBondContact CA-O 3.49Å
541	V	97.1	Very high	90.6	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.006	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138.1	-175.3	-172.7	0	0	0	0	108.7	P486 Y543 H563 F570 V590	P486-V541 HydrophobicContact CG-CB 4.32Å; P486-V541 HydrophobicContact CG-CG1 3.91Å; P486-V541 HydrophobicContact CG-CG2 3.71Å; V541-Y543 HydrophobicContact CB-CE2 4.18Å; V541-Y543 HydrophobicContact CG1-CD2 4.21Å; V541-Y543 HydrophobicContact CG1-CE2 3.52Å; V541-H563 HydrophobicContact CG1-CB 3.17Å; V541-F570 HydrophobicContact CG2-CZ 4.39Å; V541-V590 PolarHBondContact N-O 2.53Å; V541-V590 PolarHBondContact O-N 3.22Å
542	L	97.3	Very high	91.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.7	-177.5	-165	72.7	0	0	0	110.1	L500 H563 I564 A565 L580 L582 Y587 L588 L589	L500-L542 HydrophobicContact CD2-CD1 4.39Å; L542-H563 CarbonylContact O-C 3.56Å; L542-H563 WeakPolarHBondContact O-CA 3.41Å; L542-H563 WeakPolarHBondContact O-CB 3.43Å; L542-I564 HydrophobicContact CB-CG1 4.4Å; L542-I564 HydrophobicContact CD2-CD1 4.07Å; L542-I564 HydrophobicContact CD2-CG1 4.35Å; L542-I564 HydrophobicContact CG-CD1 4.41Å; L542-I564 HydrophobicContact CG-CG1 4.35Å; L542-I564 VanDerWaalsContact O-CG1 3.29Å; L542-I564 WeakPolarHBondContact O-CG1 3.29Å; L542-I564 PolarHBondContact O-N 2.88Å; L542-A565 HydrophobicContact CB-CB 4.21Å; L542-A565 PolarHBondContact N-O 3.08Å; L542-A565 PolarHBondContact O-N 3.28Å; L542-L580 HydrophobicContact CD2-CD1 4.15Å; L542-L582 HydrophobicContact CD2-CD1 3.77Å; L542-L582 HydrophobicContact CD2-CD2 3.65Å; L542-L582 HydrophobicContact CD2-CG 4.39Å; L542-Y587 HydrophobicContact CD1-CG 4.46Å; L542-Y587 HydrophobicContact CD2-CD1 4.07Å; L542-Y587 HydrophobicContact CD2-CG 4.33Å; L542-Y587 HydrophobicContact CG-CD1 4.23Å; L542-Y587 HydrophobicContact CG-CG 4.43Å; L542-L588 CarbonylContact C-O 3.24Å; L542-L588 WeakPolarHBondContact CA-O 3.33Å; L542-L589 HydrophobicContact CD1-CB 3.93Å; L542-L589 HydrophobicContact CD1-CD1 4.17Å
543	Y	97.5	Very high	92.3	Very high	6 Å²	6	46 Å²	46	2%	0.024	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	146.7	173.1	-63.7	-101.7	0	0	0	109.7	H492 V541 F557 F558 H562 H563 Y587 L588 V590	H492-Y543 AromaticContact NE2-CE2 3.86Å; H492-Y543 AromaticContact NE2-CZ 3.97Å; H492-Y543 PolarHBondContact NE2-OH 2.84Å; V541-Y543 HydrophobicContact CB-CE2 4.18Å; V541-Y543 HydrophobicContact CG1-CD2 4.21Å; V541-Y543 HydrophobicContact CG1-CE2 3.52Å; Y543-F557 AromaticContact CD1-CE1 4Å; Y543-F557 HydrophobicContact CD1-CE1 4Å; Y543-F557 HydrophobicContact CD1-CZ 4.36Å; Y543-F557 HydrophobicContact CG-CE1 4.03Å; Y543-F557 HydrophobicContact CG-CZ 4.42Å; Y543-F558 HydrophobicContact CD2-CE1 4.18Å; Y543-F558 HydrophobicContact CE1-CD1 4.11Å; Y543-F558 AromaticContact CE2-CD1 3.99Å; Y543-F558 HydrophobicContact CE2-CD1 3.99Å; Y543-F558 AromaticContact CE2-CE1 3.82Å; Y543-F558 HydrophobicContact CE2-CE1 3.82Å; Y543-F558 AromaticContact CZ-CD1 3.72Å; Y543-H562 WeakPolarHBondContact CD1-O 3.36Å; Y543-H563 HydrophobicContact CD1-CB 4.19Å; Y543-H563 HydrophobicContact CD2-CB 4.41Å; Y543-H563 HydrophobicContact CE1-CB 3.92Å; Y543-H563 HydrophobicContact CE2-CB 4.13Å; Y543-H563 HydrophobicContact CG-CB 4.42Å; Y543-Y587 CarbonylContact O-C 3.6Å; Y543-Y587 WeakPolarHBondContact O-CA 3.33Å; Y543-Y587 WeakPolarHBondContact O-CB 3.46Å; Y543-L588 PolarHBondContact N-O 3.35Å; Y543-L588 PolarHBondContact O-N 2.93Å; Y543-V590 HydrophobicContact CD2-CG2 4.27Å; Y543-V590 HydrophobicContact CE2-CG2 4.31Å
544	R	96.7	Very high	93.3	Very high	140 Å²	140	47.8 Å²	47.8	53%	0.528	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	129	168.3	-165.7	171.3	-168.9	-154.6	1.9	108.9	I564 Y587	R544-I564 HydrophobicContact CB-CD1 4.31Å; R544-I564 HydrophobicContact CB-CG2 4.04Å; R544-Y587 HydrophobicContact CB-CD1 4.36Å; R544-Y587 HydrophobicContact CB-CE1 4.35Å; R544-Y587 HydrophobicContact CG-CD1 4.39Å; R544-Y587 HydrophobicContact CG-CE1 4.12Å
545	L	96.8	Very high	94	Very high	13 Å²	13	42 Å²	42	7%	0.068	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-82.6	134.9	176.5	-73	171.3	0	0	0	110	R499 A549 P551 M553 F557 H586 L588	R499-L545 HydrophobicContact CG-CD1 4.22Å; L545-A549 HydrophobicContact CB-CB 4.09Å; L545-A549 HydrophobicContact CD2-CB 3.99Å; L545-P551 HydrophobicContact CD1-CG 3.78Å; L545-P551 HydrophobicContact CD2-CG 4.34Å; L545-M553 HydrophobicContact CD2-CG 3.79Å; L545-M553 HydrophobicContact CD2-SD 3.92Å; L545-F557 HydrophobicContact CD2-CZ 4.37Å; L545-H586 HydrophobicContact CB-CB 4.07Å; L545-H586 HydrophobicContact CD1-CB 4.24Å; L545-H586 PolarHBondContact N-O 3.18Å; L545-L588 HydrophobicContact CD1-CB 4.38Å; L545-L588 HydrophobicContact CD2-CB 3.95Å; L545-L588 HydrophobicContact CD2-CD1 4.46Å; L545-L588 HydrophobicContact CG-CB 4.07Å
546	P	94.2	Very high	94.1	Very high	70 Å²	70	41.7 Å²	41.7	46%	0.455	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-66.9	157.9	171.1	25.8	-29.4	0	0	0	110.7	G548 A549	P546-G548 PolarHBondContact O-N 2.81Å; P546-A549 HydrophobicContact CG-CB 4.01Å; P546-A549 VanDerWaalsContact O-CB 3.23Å; P546-A549 WeakPolarHBondContact O-CB 3.18Å; P546-A549 PolarHBondContact O-N 3.26Å; P546-A549 VanDerWaalsContact O-N 3.08Å
547	A	90.6	Very high	94.2	Very high	110 Å²	110	41.6 Å²	41.6	91%	0.909	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	133.2	175.7	0	0	0	0	0	110.3	A549	A547-A549 VanDerWaalsContact C-N 3.28Å; A547-A549 PolarHBondContact O-N 3.25Å
548	G	90.5	Very high	94.2	Very high	85 Å²	85	42.1 Å²	42.1	88%	0.876	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	3.6	-177.3	0	0	0	0	0	115.4	P546 N550	P546-G548 PolarHBondContact O-N 2.81Å; G548-N550 PolarHBondContact O-N 3.34Å
549	A	92.9	Very high	93.8	Very high	18 Å²	18	46.3 Å²	46.3	15%	0.149	28%	0.281	C	S	.	.			trans	-60.1	136.7	173.6	0	0	0	0	0	111.5	L545 P546 A547 P551 M553	L545-A549 HydrophobicContact CB-CB 4.09Å; L545-A549 HydrophobicContact CD2-CB 3.99Å; P546-A549 HydrophobicContact CG-CB 4.01Å; P546-A549 VanDerWaalsContact O-CB 3.23Å; P546-A549 WeakPolarHBondContact O-CB 3.18Å; P546-A549 PolarHBondContact O-N 3.26Å; P546-A549 VanDerWaalsContact O-N 3.08Å; A547-A549 VanDerWaalsContact C-N 3.28Å; A547-A549 PolarHBondContact O-N 3.25Å; A549-P551 WeakPolarHBondContact O-CD 3.42Å; A549-M553 HydrophobicContact CB-CE 4.43Å; A549-M553 HydrophobicContact CB-SD 4.18Å
550	N	89.5	Confident	93.5	Very high	129 Å²	129	51.3 Å²	51.3	69%	0.69	31%	0.311	S	S	*	.			trans	-119.1	92.5	176.1	-167	35.5	0	0	0	109.9	G548	G548-N550 PolarHBondContact O-N 3.34Å
551	P	91.1	Very high	93.3	Very high	15 Å²	15	53.9 Å²	53.9	10%	0.097	33%	0.326	C	S	.	.	S	Bend	trans	-59.6	155.1	174.9	-23	34.4	0	0	0	112.2	R499 L545 A549 M553 L588 T618	R499-P551 HydrophobicContact CG-CG 4.46Å; L545-P551 HydrophobicContact CD1-CG 3.78Å; L545-P551 HydrophobicContact CD2-CG 4.34Å; A549-P551 WeakPolarHBondContact O-CD 3.42Å; P551-M553 HydrophobicContact CG-SD 4.47Å; P551-L588 HydrophobicContact CB-CD1 4.04Å; P551-L588 HydrophobicContact CG-CD1 4.18Å; P551-T618 HydrophobicContact CB-CG2 3.4Å; P551-T618 HydrophobicContact CG-CG2 4.34Å
552	P	92.6	Very high	92.9	Very high	33 Å²	33	58.1 Å²	58.1	21%	0.214	35%	0.345	C	S	.	.	S	Bend	cis	-71	140.4	4.9	30.8	-35.8	0	0	0	112.3	L619	P552-L619 HydrophobicContact CB-CD1 3.69Å; P552-L619 HydrophobicContact CB-CG 4.31Å; P552-L619 HydrophobicContact CG-CD1 3.71Å; P552-L619 HydrophobicContact CG-CG 3.98Å
553	M	93.8	Very high	92.8	Very high	24 Å²	24	59.9 Å²	59.9	12%	0.118	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-78.5	135.3	179.1	-61.1	-50.6	-65.3	0	0	110.6	Q497 L545 A549 P551 F557 F558 L588	Q497-M553 PolarHBondContact NE2-O 3.1Å; L545-M553 HydrophobicContact CD2-CG 3.79Å; L545-M553 HydrophobicContact CD2-SD 3.92Å; A549-M553 HydrophobicContact CB-CE 4.43Å; A549-M553 HydrophobicContact CB-SD 4.18Å; P551-M553 HydrophobicContact CG-SD 4.47Å; M553-F557 HydrophobicContact CB-CB 3.84Å; M553-F557 HydrophobicContact CB-CD1 3.56Å; M553-F557 HydrophobicContact CB-CD2 4.48Å; M553-F557 HydrophobicContact CB-CE1 4.24Å; M553-F557 HydrophobicContact CB-CG 3.7Å; M553-F557 HydrophobicContact CE-CB 3.95Å; M553-F557 HydrophobicContact CE-CD2 3.41Å; M553-F557 VanDerWaalsContact CE-CD2 3.41Å; M553-F557 HydrophobicContact CE-CE2 4.02Å; M553-F557 HydrophobicContact CE-CG 3.71Å; M553-F557 HydrophobicContact CG-CD1 3.93Å; M553-F557 HydrophobicContact CG-CD2 4.36Å; M553-F557 HydrophobicContact CG-CE1 4.16Å; M553-F557 HydrophobicContact CG-CG 4.03Å; M553-F557 HydrophobicContact CG-CZ 4.47Å; M553-F558 HydrophobicContact CB-CE2 4.09Å; M553-F558 HydrophobicContact CB-CZ 4.41Å; M553-F558 WeakPolarHBondContact O-CE2 3.38Å; M553-L588 HydrophobicContact CB-CD2 3.96Å; M553-L588 HydrophobicContact CG-CD1 4.41Å; M553-L588 HydrophobicContact CG-CD2 3.7Å
554	P	91.8	Very high	92.6	Very high	75 Å²	75	63.6 Å²	63.6	49%	0.487	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-78.5	170.4	-178.2	32.8	-36.7	0	0	0	111.8	G556 F557 F558	P554-G556 VanDerWaalsContact C-N 3.27Å; P554-G556 PolarHBondContact O-N 3.08Å; P554-G556 VanDerWaalsContact O-N 3.15Å; P554-F557 VanDerWaalsContact O-CB 3.3Å; P554-F557 WeakPolarHBondContact O-CB 3.45Å; P554-F557 PolarHBondContact O-N 3.27Å; P554-F558 WeakPolarHBondContact O-CD2 3.5Å
555	R	92.3	Very high	92.5	Very high	97 Å²	97	57.8 Å²	57.8	37%	0.366	36%	0.355	S	S	.	.	H	α-helix	trans	-44.8	-47.4	176.3	178.7	175	169.5	175	-1.9	113.9	W493 F557 F558 E559	W493-R555 HydrophobicContact CB-CB 4.32Å; W493-R555 HydrophobicContact CD2-CB 3.91Å; W493-R555 HydrophobicContact CG-CB 3.75Å; W493-R555 HydrophobicContact CG-CG 4.06Å; R555-F557 PolarHBondContact O-N 3.37Å; R555-F557 VanDerWaalsContact O-N 3.16Å; R555-F558 PolarHBondContact O-N 3.31Å; R555-F558 VanDerWaalsContact O-N 3.07Å; R555-E559 HydrophobicContact CG-CG 4.42Å; R555-E559 IonicContact CZ-OE1 3.59Å; R555-E559 IonicContact NE-OE1 2.66Å; R555-E559 PolarHBondContact NE-OE1 2.94Å; R555-E559 IonicContact NH2-OE1 2.69Å; R555-E559 PolarHBondContact NH2-OE1 3.37Å; R555-E559 PolarHBondContact O-N 3Å
556	G	92.1	Very high	92.4	Very high	34 Å²	34	57.8 Å²	57.8	35%	0.351	36%	0.356	S	S	.	.	H	α-helix	trans	-60.7	-25.8	-178.3	0	0	0	0	0	114.6	P554 T560	P554-G556 VanDerWaalsContact C-N 3.27Å; P554-G556 PolarHBondContact O-N 3.08Å; P554-G556 VanDerWaalsContact O-N 3.15Å; G556-T560 PolarHBondContact O-N 2.7Å; G556-T560 PolarHBondContact O-OG1 2.92Å
557	F	94.7	Very high	92.4	Very high	12 Å²	12	54.7 Å²	54.7	5%	0.053	34%	0.335	C	S	.	.	H	α-helix	trans	-63.7	-47	173.6	170.9	-99.7	0	0	0	111.2	Y543 L545 M553 P554 R555 E559 T560 N561 L588	Y543-F557 AromaticContact CD1-CE1 4Å; Y543-F557 HydrophobicContact CD1-CE1 4Å; Y543-F557 HydrophobicContact CD1-CZ 4.36Å; Y543-F557 HydrophobicContact CG-CE1 4.03Å; Y543-F557 HydrophobicContact CG-CZ 4.42Å; L545-F557 HydrophobicContact CD2-CZ 4.37Å; M553-F557 HydrophobicContact CB-CB 3.84Å; M553-F557 HydrophobicContact CB-CD1 3.56Å; M553-F557 HydrophobicContact CB-CD2 4.48Å; M553-F557 HydrophobicContact CB-CE1 4.24Å; M553-F557 HydrophobicContact CB-CG 3.7Å; M553-F557 HydrophobicContact CE-CB 3.95Å; M553-F557 HydrophobicContact CE-CD2 3.41Å; M553-F557 VanDerWaalsContact CE-CD2 3.41Å; M553-F557 HydrophobicContact CE-CE2 4.02Å; M553-F557 HydrophobicContact CE-CG 3.71Å; M553-F557 HydrophobicContact CG-CD1 3.93Å; M553-F557 HydrophobicContact CG-CD2 4.36Å; M553-F557 HydrophobicContact CG-CE1 4.16Å; M553-F557 HydrophobicContact CG-CG 4.03Å; M553-F557 HydrophobicContact CG-CZ 4.47Å; P554-F557 VanDerWaalsContact O-CB 3.3Å; P554-F557 WeakPolarHBondContact O-CB 3.45Å; P554-F557 PolarHBondContact O-N 3.27Å; R555-F557 PolarHBondContact O-N 3.37Å; R555-F557 VanDerWaalsContact O-N 3.16Å; F557-E559 VanDerWaalsContact C-N 3.3Å; F557-E559 PolarHBondContact O-N 3.11Å; F557-T560 PolarHBondContact O-N 3.22Å; F557-T560 PolarHBondContact O-OG1 3.01Å; F557-N561 HydrophobicContact CD2-CB 4.27Å; F557-N561 WeakPolarHBondContact CD2-ND2 3.33Å; F557-N561 HydrophobicContact CE1-CB 4.39Å; F557-N561 HydrophobicContact CE2-CB 3.93Å; F557-N561 HydrophobicContact CZ-CB 4Å; F557-N561 VanDerWaalsContact O-CB 3.27Å; F557-N561 WeakPolarHBondContact O-CB 3.24Å; F557-N561 PolarHBondContact O-N 3.37Å; F557-N561 PolarHBondContact O-ND2 3.3Å; F557-L588 HydrophobicContact CE1-CD2 4.04Å
558	F	94.4	Very high	92.3	Very high	22 Å²	22	52.4 Å²	52.4	10%	0.096	31%	0.308	C	S	.	.	H	α-helix	trans	-72.9	-24.3	-177.6	-62.5	-85.3	0	0	0	113	H492 W493 Y543 M553 P554 R555 T560 L588 V590	H492-F558 AromaticContact CD2-CD1 3.73Å; W493-F558 HydrophobicContact CB-CB 4.45Å; W493-F558 HydrophobicContact CB-CD2 3.3Å; W493-F558 HydrophobicContact CB-CE2 3.69Å; W493-F558 HydrophobicContact CB-CG 4.02Å; Y543-F558 HydrophobicContact CD2-CE1 4.18Å; Y543-F558 HydrophobicContact CE1-CD1 4.11Å; Y543-F558 AromaticContact CE2-CD1 3.99Å; Y543-F558 HydrophobicContact CE2-CD1 3.99Å; Y543-F558 AromaticContact CE2-CE1 3.82Å; Y543-F558 HydrophobicContact CE2-CE1 3.82Å; Y543-F558 AromaticContact CZ-CD1 3.72Å; M553-F558 HydrophobicContact CB-CE2 4.09Å; M553-F558 HydrophobicContact CB-CZ 4.41Å; M553-F558 WeakPolarHBondContact O-CE2 3.38Å; P554-F558 WeakPolarHBondContact O-CD2 3.5Å; R555-F558 PolarHBondContact O-N 3.31Å; R555-F558 VanDerWaalsContact O-N 3.07Å; F558-T560 VanDerWaalsContact C-N 3.32Å; F558-L588 HydrophobicContact CE1-CD2 4.14Å; F558-L588 HydrophobicContact CZ-CD2 3.72Å; F558-V590 HydrophobicContact CE1-CG2 4.08Å; F558-V590 HydrophobicContact CZ-CG2 4.34Å
559	E	90	Very high	92.2	Very high	88 Å²	88	51.5 Å²	51.5	41%	0.411	28%	0.28	S	S	.	.	H	α-helix	trans	-72.8	-27.7	174.5	-69.5	175.8	164.4	0	0	112.1	R555 F557	R555-E559 HydrophobicContact CG-CG 4.42Å; R555-E559 IonicContact CZ-OE1 3.59Å; R555-E559 IonicContact NE-OE1 2.66Å; R555-E559 PolarHBondContact NE-OE1 2.94Å; R555-E559 IonicContact NH2-OE1 2.69Å; R555-E559 PolarHBondContact NH2-OE1 3.37Å; R555-E559 PolarHBondContact O-N 3Å; F557-E559 VanDerWaalsContact C-N 3.3Å; F557-E559 PolarHBondContact O-N 3.11Å
560	T	90.7	Very high	92.2	Very high	104 Å²	104	50.6 Å²	50.6	64%	0.638	27%	0.273	S	S	*	.	H	α-helix	trans	-105.8	-22.6	-175.1	52.3	0	0	0	0	114.1	G556 F557 F558	G556-T560 PolarHBondContact O-N 2.7Å; G556-T560 PolarHBondContact O-OG1 2.92Å; F557-T560 PolarHBondContact O-N 3.22Å; F557-T560 PolarHBondContact O-OG1 3.01Å; F558-T560 VanDerWaalsContact C-N 3.32Å
561	N	91.9	Very high	92.1	Very high	56 Å²	56	45.9 Å²	45.9	30%	0.299	25%	0.246	S	C	.	.			trans	-110.1	143	-176.5	-66.5	-92.7	0	0	0	111.5	F557	F557-N561 HydrophobicContact CD2-CB 4.27Å; F557-N561 WeakPolarHBondContact CD2-ND2 3.33Å; F557-N561 HydrophobicContact CE1-CB 4.39Å; F557-N561 HydrophobicContact CE2-CB 3.93Å; F557-N561 HydrophobicContact CZ-CB 4Å; F557-N561 VanDerWaalsContact O-CB 3.27Å; F557-N561 WeakPolarHBondContact O-CB 3.24Å; F557-N561 PolarHBondContact O-N 3.37Å; F557-N561 PolarHBondContact O-ND2 3.3Å
562	H	90.5	Very high	92	Very high	89 Å²	89	46.4 Å²	46.4	41%	0.412	25%	0.248	S	C	.	.			trans	-98.8	150	172.6	-61.5	-38.7	0	0	0	110.9	Y43 P44 Y543	Y43-H562 AromaticContact CD1-CE1 3.31Å; Y43-H562 WeakPolarHBondContact CD1-CE1 3.32Å; Y43-H562 AromaticContact CD1-NE2 3.9Å; Y43-H562 AromaticContact CE1-CE1 3.48Å; Y43-H562 VanDerWaalsContact CE1-CE1 3.48Å; Y43-H562 WeakPolarHBondContact CE1-CE1 3.06Å; P44-H562 HydrophobicContact CG-CB 4.35Å; Y543-H562 WeakPolarHBondContact CD1-O 3.36Å
563	H	93.9	Very high	91.9	Very high	37 Å²	37	45.1 Å²	45.1	17%	0.171	24%	0.24	C	C	.	.			trans	-68.7	147.1	171.7	65.2	-89.3	0	0	0	109.7	V541 L542 Y543	V541-H563 HydrophobicContact CG1-CB 3.17Å; L542-H563 CarbonylContact O-C 3.56Å; L542-H563 WeakPolarHBondContact O-CA 3.41Å; L542-H563 WeakPolarHBondContact O-CB 3.43Å; Y543-H563 HydrophobicContact CD1-CB 4.19Å; Y543-H563 HydrophobicContact CD2-CB 4.41Å; Y543-H563 HydrophobicContact CE1-CB 3.92Å; Y543-H563 HydrophobicContact CE2-CB 4.13Å; Y543-H563 HydrophobicContact CG-CB 4.42Å
564	I	94.6	Very high	91.8	Very high	85 Å²	85	44.4 Å²	44.4	44%	0.436	24%	0.236	S	C	.	.	S	Bend	trans	-95	-21.7	177.9	59.8	159.4	0	0	0	112.2	L542 R544 Y587	L542-I564 HydrophobicContact CB-CG1 4.4Å; L542-I564 HydrophobicContact CD2-CD1 4.07Å; L542-I564 HydrophobicContact CD2-CG1 4.35Å; L542-I564 HydrophobicContact CG-CD1 4.41Å; L542-I564 HydrophobicContact CG-CG1 4.35Å; L542-I564 VanDerWaalsContact O-CG1 3.29Å; L542-I564 WeakPolarHBondContact O-CG1 3.29Å; L542-I564 PolarHBondContact O-N 2.88Å; R544-I564 HydrophobicContact CB-CD1 4.31Å; R544-I564 HydrophobicContact CB-CG2 4.04Å; I564-Y587 HydrophobicContact CD1-CD1 3.51Å; I564-Y587 HydrophobicContact CD1-CE1 3.29Å
565	A	94.1	Very high	91.9	Very high	18 Å²	18	41.8 Å²	41.8	15%	0.149	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	156.2	177.8	0	0	0	0	0	109.9	L542 L580	L542-A565 HydrophobicContact CB-CB 4.21Å; L542-A565 PolarHBondContact N-O 3.08Å; L542-A565 PolarHBondContact O-N 3.28Å; A565-L580 HydrophobicContact CB-CD1 4.28Å; A565-L580 HydrophobicContact CB-CD2 4.11Å
566	S	94.5	Very high	92	Very high	13 Å²	13	37.7 Å²	37.7	9%	0.091	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	172.8	171.6	55.9	0	0	0	0	108.8	T47 F540 K578	T47-S566 PolarHBondContact OG1-OG 3.37Å; F540-S566 WeakPolarHBondContact O-CA 3.47Å; S566-K578 WeakPolarHBondContact O-CD 3.46Å; S566-K578 VanDerWaalsContact O-CE 3.31Å; S566-K578 WeakPolarHBondContact O-CE 3.37Å; S566-K578 PolarHBondContact O-NZ 3.44Å
567	V	93.2	Very high	92.2	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.03	19%	0.194	C	C	.	.			trans	-55.8	154	164.1	-67.2	0	0	0	0	110.8	T47 F540 F569 F570 V576	T47-V567 HydrophobicContact CG2-CG2 4.34Å; T47-V567 WeakPolarHBondContact CG2-O 3.3Å; F540-V567 HydrophobicContact CD1-CG1 3.6Å; F540-V567 HydrophobicContact CD2-CG1 4.21Å; F540-V567 HydrophobicContact CE1-CG1 3.42Å; F540-V567 VanDerWaalsContact CE1-CG1 3.42Å; F540-V567 HydrophobicContact CE2-CG1 4.04Å; F540-V567 HydrophobicContact CG-CG1 4.01Å; F540-V567 HydrophobicContact CZ-CG1 3.66Å; F540-V567 PolarHBondContact O-N 2.53Å; F540-V567 VanDerWaalsContact O-N 3.17Å; V567-F569 VanDerWaalsContact C-N 3.32Å; V567-F569 WeakPolarHBondContact CG2-O 3.08Å; V567-F570 HydrophobicContact CG2-CD2 4.17Å; V567-F570 HydrophobicContact CG2-CE2 4.25Å; V567-V576 HydrophobicContact CG1-CB 4.48Å; V567-V576 HydrophobicContact CG1-CG2 4.19Å
568	D	88.4	Confident	92.2	Very high	62 Å²	62	38.5 Å²	38.5	33%	0.332	20%	0.199	S	C	.	.	S	Bend	trans	-70.6	-33.9	178.8	-57.4	-64.9	0	0	0	112.1	L316 K578	L316-D568 WeakPolarHBondContact CD1-OD2 3.22Å; D568-K578 VanDerWaalsContact CG-NZ 3.31Å; D568-K578 IonicContact OD1-NZ 3.22Å; D568-K578 PolarHBondContact OD1-NZ 3.13Å; D568-K578 IonicContact OD2-NZ 2.69Å; D568-K578 PolarHBondContact OD2-NZ 3.26Å
569	F	89.7	Confident	92.3	Very high	65 Å²	65	39.4 Å²	39.4	29%	0.285	20%	0.202	S	C	.	.	S	Bend	trans	-141.2	140	175.5	-53	-83.2	0	0	0	109.1	P48 K50 V567	P48-F569 HydrophobicContact CB-CD1 4.17Å; P48-F569 HydrophobicContact CB-CE1 4.49Å; P48-F569 HydrophobicContact CG-CD1 3.53Å; P48-F569 HydrophobicContact CG-CE1 3.64Å; P48-F569 WeakPolarHBondContact O-CA 3.41Å; K50-F569 HydrophobicContact CB-CB 4.26Å; K50-F569 HydrophobicContact CD-CB 4.28Å; K50-F569 HydrophobicContact CD-CD1 3.48Å; K50-F569 VanDerWaalsContact CD-CD1 3.48Å; K50-F569 HydrophobicContact CD-CD2 4.14Å; K50-F569 HydrophobicContact CD-CE1 3.86Å; K50-F569 HydrophobicContact CD-CE2 4.43Å; K50-F569 HydrophobicContact CD-CG 3.69Å; K50-F569 HydrophobicContact CD-CZ 4.33Å; K50-F569 HydrophobicContact CG-CB 4.32Å; K50-F569 HydrophobicContact CG-CD1 3.7Å; K50-F569 HydrophobicContact CG-CE1 4.37Å; K50-F569 HydrophobicContact CG-CG 4.09Å; K50-F569 VanDerWaalsContact NZ-CZ 3.27Å; V567-F569 VanDerWaalsContact C-N 3.32Å; V567-F569 WeakPolarHBondContact CG2-O 3.08Å
570	F	92.6	Very high	92.5	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	126.8	159.6	-80.4	-102.2	0	0	0	108.2	T47 P48 Q49 K50 R485 I538 G539 V541 V567 Y594	T47-F570 HydrophobicContact CG2-CD2 3.76Å; T47-F570 HydrophobicContact CG2-CE2 4.02Å; P48-F570 PolarHBondContact O-N 3.43Å; Q49-F570 WeakPolarHBondContact CA-O 3.37Å; K50-F570 PolarHBondContact N-O 3.24Å; R485-F570 HydrophobicContact CB-CE1 4.17Å; R485-F570 HydrophobicContact CB-CE2 4.12Å; R485-F570 HydrophobicContact CB-CZ 3.71Å; I538-F570 VanDerWaalsContact C-CD1 3.48Å; I538-F570 WeakPolarHBondContact O-CA 3.38Å; G539-F570 VanDerWaalsContact CA-CE1 3.49Å; V541-F570 HydrophobicContact CG2-CZ 4.39Å; V567-F570 HydrophobicContact CG2-CD2 4.17Å; V567-F570 HydrophobicContact CG2-CE2 4.25Å; F570-Y594 HydrophobicContact CB-CD2 3.59Å; F570-Y594 HydrophobicContact CB-CE2 4.5Å; F570-Y594 HydrophobicContact CB-CG 4.19Å; F570-Y594 HydrophobicContact CD1-CD2 4.27Å; F570-Y594 AromaticContact CD2-CD2 3.99Å; F570-Y594 HydrophobicContact CD2-CD2 3.99Å; F570-Y594 AromaticContact CG-CD2 3.69Å; F570-Y594 HydrophobicContact CG-CD2 3.69Å; F570-Y594 HydrophobicContact CG-CG 4.41Å
571	F	87.8	Confident	92.6	Very high	30 Å²	30	35.1 Å²	35.1	13%	0.132	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	139.4	-168.6	-153.7	-134	0	0	0	110.9	K50 Y51 V52 M55 S537 I538 S573 V576	K50-F571 HydrophobicContact CB-CD2 3.63Å; K50-F571 HydrophobicContact CB-CE2 3.79Å; K50-F571 VanDerWaalsContact O-CD2 3.24Å; K50-F571 WeakPolarHBondContact O-CD2 3.1Å; Y51-F571 WeakPolarHBondContact O-CE2 3.33Å; V52-F571 HydrophobicContact CB-CE1 4.49Å; V52-F571 HydrophobicContact CB-CZ 4.2Å; V52-F571 HydrophobicContact CG2-CD1 4.13Å; V52-F571 HydrophobicContact CG2-CE1 3.54Å; V52-F571 HydrophobicContact CG2-CE2 4.39Å; V52-F571 HydrophobicContact CG2-CZ 3.69Å; M55-F571 HydrophobicContact CE-CZ 4.23Å; M55-F571 HydrophobicContact CG-CZ 4.22Å; S537-F571 CarbonylContact C-O 3.48Å; S537-F571 WeakPolarHBondContact CA-O 3.45Å; I538-F571 PolarHBondContact N-O 3.05Å; I538-F571 PolarHBondContact O-N 2.97Å; I538-F571 VanDerWaalsContact O-N 3.1Å; F571-S573 VanDerWaalsContact CD1-CB 3.42Å; F571-S573 WeakPolarHBondContact CD1-OG 3.26Å; F571-S573 PolarHBondContact O-N 3.11Å; F571-S573 VanDerWaalsContact O-N 3.16Å; F571-V576 HydrophobicContact CB-CG1 3.75Å
572	D	89	Confident	92.8	Very high	25 Å²	25	32.9 Å²	32.9	13%	0.134	16%	0.162	C	C	.	.			trans	-82.6	33.5	175	68.1	-23.4	0	0	0	112.5	Y51 V52 L535	Y51-D572 WeakPolarHBondContact CA-OD1 3.33Å; Y51-D572 HydrophobicContact CD1-CB 4.45Å; Y51-D572 WeakPolarHBondContact CD1-OD2 3.44Å; V52-D572 WeakPolarHBondContact CG2-OD1 3.48Å; V52-D572 PolarHBondContact N-OD1 3.34Å; L535-D572 HydrophobicContact CB-CB 4.4Å; L535-D572 VanDerWaalsContact CB-O 3.3Å; L535-D572 WeakPolarHBondContact CB-O 3.44Å; L535-D572 WeakPolarHBondContact CD1-O 3.47Å
573	S	89.3	Confident	93.1	Very high	7 Å²	7	31.3 Å²	31.3	5%	0.049	16%	0.158	C	C	.	.	S	Bend	trans	-82.4	165.1	171.1	56.1	0	0	0	0	111.9	Q522 F571 E575 V576	Q522-S573 PolarHBondContact NE2-O 3.12Å; F571-S573 VanDerWaalsContact CD1-CB 3.42Å; F571-S573 WeakPolarHBondContact CD1-OG 3.26Å; F571-S573 PolarHBondContact O-N 3.11Å; F571-S573 VanDerWaalsContact O-N 3.16Å; S573-E575 WeakPolarHBondContact CB-O 3.37Å; S573-E575 PolarHBondContact O-N 2.8Å; S573-E575 PolarHBondContact OG-O 2.6Å; S573-V576 WeakPolarHBondContact OG-CG1 3.25Å
574	R	92.2	Very high	93.2	Very high	8 Å²	8	31.8 Å²	31.8	3%	0.03	17%	0.165	C	C	.	.	S	Bend	trans	-60.3	-36.6	171.9	-173.8	179.1	73.1	158.7	15.5	111.5	D293 D297 M521 Q522 D524	D293-R574 PolarHBondContact O-NH2 3.29Å; D293-R574 IonicContact OD1-CZ 2.88Å; D293-R574 VanDerWaalsContact OD1-CZ 3.27Å; D293-R574 IonicContact OD1-NE 3.55Å; D293-R574 PolarHBondContact OD1-NE 3.46Å; D293-R574 IonicContact OD1-NH2 2.76Å; D293-R574 PolarHBondContact OD1-NH2 3.42Å; D297-R574 IonicContact OD1-CZ 2.64Å; D297-R574 IonicContact OD1-NH1 3.91Å; D297-R574 PolarHBondContact OD1-NH1 3.41Å; D297-R574 IonicContact OD1-NH2 3.16Å; D297-R574 IonicContact OD2-NH1 2.77Å; D297-R574 PolarHBondContact OD2-NH1 2.99Å; M521-R574 CarbonylContact C-O 3.5Å; M521-R574 WeakPolarHBondContact CA-O 3.37Å; M521-R574 HydrophobicContact CG-CG 4.29Å; Q522-R574 PolarHBondContact N-O 3.42Å; D524-R574 HydrophobicContact CB-CG 4.43Å; D524-R574 IonicContact OD2-NH1 3.31Å
575	E	94.4	Very high	93.2	Very high	21 Å²	21	28.5 Å²	28.5	10%	0.098	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	146	178.9	-175.1	168.3	-128.9	0	0	111.6	A519 L520 M521 S573 V577 R605	A519-E575 HydrophobicContact CB-CG 4.26Å; A519-E575 WeakPolarHBondContact CB-OE1 3.42Å; L520-E575 WeakPolarHBondContact O-CA 3.34Å; L520-E575 WeakPolarHBondContact O-CG 3.42Å; M521-E575 HydrophobicContact CB-CB 4.13Å; M521-E575 HydrophobicContact CB-CG 4.04Å; M521-E575 HydrophobicContact CE-CB 4.16Å; M521-E575 HydrophobicContact CE-CG 4.38Å; M521-E575 WeakPolarHBondContact CE-OE2 3.17Å; M521-E575 HydrophobicContact CG-CB 4.29Å; S573-E575 WeakPolarHBondContact CB-O 3.37Å; S573-E575 PolarHBondContact O-N 2.8Å; S573-E575 PolarHBondContact OG-O 2.6Å; E575-V577 HydrophobicContact CG-CG2 3.9Å; E575-R605 IonicContact OE1-CZ 3.38Å; E575-R605 IonicContact OE1-NE 3.98Å; E575-R605 PolarHBondContact OE1-NE 3.38Å; E575-R605 IonicContact OE1-NH2 2.76Å; E575-R605 PolarHBondContact OE1-NH2 3.32Å; E575-R605 IonicContact OE2-CZ 3.94Å; E575-R605 IonicContact OE2-NH2 3.51Å; E575-R605 PolarHBondContact OE2-NH2 3.33Å
576	V	94.7	Very high	93.4	Very high	11 Å²	11	31.2 Å²	31.2	7%	0.067	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	132.1	170.3	-66.6	0	0	0	0	109.2	A519 L520 I538 F540 V567 F571 S573	A519-V576 CarbonylContact C-O 3.27Å; A519-V576 WeakPolarHBondContact CA-O 3.27Å; L520-V576 HydrophobicContact CB-CG2 3.93Å; L520-V576 PolarHBondContact N-O 2.93Å; L520-V576 PolarHBondContact O-N 2.91Å; I538-V576 HydrophobicContact CD1-CG2 4.27Å; I538-V576 HydrophobicContact CG1-CG1 4.12Å; I538-V576 HydrophobicContact CG1-CG2 4.11Å; F540-V576 HydrophobicContact CD1-CG2 4.41Å; F540-V576 HydrophobicContact CE1-CG2 4.46Å; V567-V576 HydrophobicContact CG1-CB 4.48Å; V567-V576 HydrophobicContact CG1-CG2 4.19Å; F571-V576 HydrophobicContact CB-CG1 3.75Å; S573-V576 WeakPolarHBondContact OG-CG1 3.25Å
577	V	95.7	Very high	93.5	Very high	28 Å²	28	30.7 Å²	30.7	17%	0.17	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	136.7	-175.4	-170.9	0	0	0	0	109.6	L302 T303 E304 V517 I518 A519 E575	L302-V577 HydrophobicContact CD2-CG1 3.98Å; T303-V577 WeakPolarHBondContact O-CG2 3.15Å; E304-V577 HydrophobicContact CG-CG1 3.64Å; V517-V577 HydrophobicContact CG1-CG1 3.64Å; I518-V577 CarbonylContact O-C 3.55Å; I518-V577 WeakPolarHBondContact O-CA 3.36Å; A519-V577 HydrophobicContact CB-CB 4.35Å; A519-V577 HydrophobicContact CB-CG1 4.15Å; A519-V577 HydrophobicContact CB-CG2 3.7Å; E575-V577 HydrophobicContact CG-CG2 3.9Å
578	K	95	Very high	93.7	Very high	34 Å²	34	30.5 Å²	30.5	15%	0.148	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	133.1	171.4	-172.3	165.9	179.8	160.2	0	111.3	I518 F540 S566 D568 L580	I518-K578 PolarHBondContact N-O 3.4Å; I518-K578 PolarHBondContact O-N 2.73Å; F540-K578 HydrophobicContact CE2-CB 4.39Å; F540-K578 HydrophobicContact CZ-CB 3.76Å; S566-K578 WeakPolarHBondContact O-CD 3.46Å; S566-K578 VanDerWaalsContact O-CE 3.31Å; S566-K578 WeakPolarHBondContact O-CE 3.37Å; S566-K578 PolarHBondContact O-NZ 3.44Å; D568-K578 VanDerWaalsContact CG-NZ 3.31Å; D568-K578 IonicContact OD1-NZ 3.22Å; D568-K578 PolarHBondContact OD1-NZ 3.13Å; D568-K578 IonicContact OD2-NZ 2.69Å; D568-K578 PolarHBondContact OD2-NZ 3.26Å; K578-L580 HydrophobicContact CD-CD2 3.96Å; K578-L580 HydrophobicContact CG-CD2 3.97Å; K578-L580 HydrophobicContact CG-CG 4.34Å
579	R	95.4	Very high	94.2	Very high	41 Å²	41	27.5 Å²	27.5	16%	0.155	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	129.5	169.1	-178.9	174.8	-68.2	-92	4.7	109.8	E304 H446 T515 V517	E304-R579 VanDerWaalsContact CD-NH2 3.34Å; E304-R579 IonicContact OE1-CZ 3.68Å; E304-R579 IonicContact OE1-NE 3.25Å; E304-R579 IonicContact OE1-NH2 3.27Å; E304-R579 PolarHBondContact OE1-NH2 2.98Å; E304-R579 IonicContact OE2-CZ 2.73Å; E304-R579 IonicContact OE2-NE 3.59Å; E304-R579 PolarHBondContact OE2-NE 3.33Å; E304-R579 IonicContact OE2-NH2 3.56Å; E304-R579 PolarHBondContact OE2-NH2 3.47Å; H446-R579 PolarHBondContact NE2-NH2 3.32Å; H446-R579 VanDerWaalsContact NE2-NH2 3.13Å; T515-R579 HydrophobicContact CG2-CG 4.22Å; V517-R579 HydrophobicContact CG2-CB 4.33Å; V517-R579 HydrophobicContact CG2-CG 4.22Å; V517-R579 VanDerWaalsContact CG2-CZ 3.49Å
580	L	94.8	Very high	94.6	Very high	16 Å²	16	24.5 Å²	24.5	8%	0.084	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	143	-179.8	-61.9	174.2	0	0	0	110	T516 I518 L542 A565 K578 L582	T516-L580 PolarHBondContact N-O 3.2Å; T516-L580 PolarHBondContact O-N 3.25Å; I518-L580 HydrophobicContact CD1-CD1 3.83Å; L542-L580 HydrophobicContact CD2-CD1 4.15Å; A565-L580 HydrophobicContact CB-CD1 4.28Å; A565-L580 HydrophobicContact CB-CD2 4.11Å; K578-L580 HydrophobicContact CD-CD2 3.96Å; K578-L580 HydrophobicContact CG-CD2 3.97Å; K578-L580 HydrophobicContact CG-CG 4.34Å; L580-L582 HydrophobicContact CB-CD1 4.46Å; L580-L582 HydrophobicContact CB-CD2 4.16Å; L580-L582 HydrophobicContact CB-CG 4.03Å; L580-L582 HydrophobicContact CD1-CD2 4.43Å
581	K	93.9	Very high	94.9	Very high	86 Å²	86	24.5 Å²	24.5	37%	0.374	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	112.1	164.1	-69.6	-163.4	-180	-165.4	0	107.9	D321 D509 F513	D321-K581 WeakPolarHBondContact OD2-CE 3.43Å; D321-K581 IonicContact OD2-NZ 2.9Å; D321-K581 PolarHBondContact OD2-NZ 3.3Å; D509-K581 IonicContact OD2-NZ 2.73Å; F513-K581 HydrophobicContact CB-CB 3.87Å; F513-K581 HydrophobicContact CB-CD 4.44Å; F513-K581 HydrophobicContact CB-CG 4.49Å; F513-K581 HydrophobicContact CD1-CB 4.49Å; F513-K581 HydrophobicContact CD2-CB 4.32Å; F513-K581 HydrophobicContact CD2-CD 4.33Å; F513-K581 HydrophobicContact CG-CB 4Å
582	L	95.7	Very high	95.3	Very high	10 Å²	10	23 Å²	23	5%	0.052	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	143	-173.3	-63.2	176.8	0	0	0	110.1	L500 I502 F513 A514 L542 L580 Y587	L500-L582 HydrophobicContact CD2-CD1 3.98Å; I502-L582 HydrophobicContact CD1-CB 3.59Å; I502-L582 HydrophobicContact CD1-CD1 3.6Å; I502-L582 HydrophobicContact CD1-CG 4.23Å; F513-L582 CarbonylContact C-O 3.6Å; A514-L582 PolarHBondContact N-O 3.35Å; A514-L582 PolarHBondContact O-N 3.17Å; L542-L582 HydrophobicContact CD2-CD1 3.77Å; L542-L582 HydrophobicContact CD2-CD2 3.65Å; L542-L582 HydrophobicContact CD2-CG 4.39Å; L580-L582 HydrophobicContact CB-CD1 4.46Å; L580-L582 HydrophobicContact CB-CD2 4.16Å; L580-L582 HydrophobicContact CB-CG 4.03Å; L580-L582 HydrophobicContact CD1-CD2 4.43Å; L582-Y587 HydrophobicContact CB-CE2 4.4Å
583	T	96	Very high	95.7	Very high	55 Å²	55	21.9 Å²	21.9	34%	0.337	12%	0.115	S	C	.	.			trans	-73.9	157.1	170	51.7	0	0	0	0	110.3	F513 G585 Y587	F513-T583 HydrophobicContact CD1-CG2 3.77Å; F513-T583 HydrophobicContact CE1-CG2 3.58Å; T583-G585 PolarHBondContact O-N 3.33Å; T583-Y587 PolarHBondContact N-OH 3.33Å; T583-Y587 WeakPolarHBondContact O-CE2 3.4Å; T583-Y587 PolarHBondContact O-OH 2.77Å; T583-Y587 PolarHBondContact OG1-OH 2.91Å
584	P	95.8	Very high	96.1	Very high	47 Å²	47	23.6 Å²	23.6	31%	0.305	12%	0.12	S	C	.	.	S	Bend	trans	-54.5	137.4	170.7	-26.6	36	0	0	0	112.1	I502	I502-P584 CarbonylContact O-C 3.23Å; I502-P584 WeakPolarHBondContact O-CA 3.39Å
585	G	95.5	Very high	96.2	Very high	17 Å²	17	25.2 Å²	25.2	18%	0.175	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.1	-171.7	-177.1	0	0	0	0	0	114.2	I502 T583	I502-G585 PolarHBondContact N-O 3.32Å; I502-G585 PolarHBondContact O-N 3.41Å; T583-G585 PolarHBondContact O-N 3.33Å
586	H	97.1	Very high	96.2	Very high	74 Å²	74	25.2 Å²	25.2	34%	0.343	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	136.4	179.5	-64.1	-115.2	0	0	0	110.1	R499 L545	R499-H586 PolarHBondContact NH2-ND1 3.18Å; L545-H586 HydrophobicContact CB-CB 4.07Å; L545-H586 HydrophobicContact CD1-CB 4.24Å; L545-H586 PolarHBondContact N-O 3.18Å
587	Y	97.8	Very high	96.2	Very high	3 Å²	3	28.4 Å²	28.4	1%	0.012	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	152.9	-176	-57.5	-85	0	0	0	111.1	R499 L500 I502 L542 Y543 R544 I564 L582 T583	R499-Y587 WeakPolarHBondContact CA-O 3.4Å; L500-Y587 HydrophobicContact CG-CD2 4.5Å; L500-Y587 PolarHBondContact N-O 2.77Å; L500-Y587 PolarHBondContact O-N 3.06Å; I502-Y587 HydrophobicContact CD1-CD2 4.2Å; I502-Y587 HydrophobicContact CD1-CE2 3.89Å; I502-Y587 HydrophobicContact CG1-CE2 4.45Å; L542-Y587 HydrophobicContact CD1-CG 4.46Å; L542-Y587 HydrophobicContact CD2-CD1 4.07Å; L542-Y587 HydrophobicContact CD2-CG 4.33Å; L542-Y587 HydrophobicContact CG-CD1 4.23Å; L542-Y587 HydrophobicContact CG-CG 4.43Å; Y543-Y587 CarbonylContact O-C 3.6Å; Y543-Y587 WeakPolarHBondContact O-CA 3.33Å; Y543-Y587 WeakPolarHBondContact O-CB 3.46Å; R544-Y587 HydrophobicContact CB-CD1 4.36Å; R544-Y587 HydrophobicContact CB-CE1 4.35Å; R544-Y587 HydrophobicContact CG-CD1 4.39Å; R544-Y587 HydrophobicContact CG-CE1 4.12Å; I564-Y587 HydrophobicContact CD1-CD1 3.51Å; I564-Y587 HydrophobicContact CD1-CE1 3.29Å; L582-Y587 HydrophobicContact CB-CE2 4.4Å; T583-Y587 PolarHBondContact N-OH 3.33Å; T583-Y587 WeakPolarHBondContact O-CE2 3.4Å; T583-Y587 PolarHBondContact O-OH 2.77Å; T583-Y587 PolarHBondContact OG1-OH 2.91Å
588	L	98	Very high	96.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	115.9	171.3	-165.2	74.6	0	0	0	108.6	Q497 F498 L542 Y543 L545 P551 M553 F557 F558 V590 T618	Q497-L588 HydrophobicContact CB-CD1 3.98Å; Q497-L588 HydrophobicContact CB-CG 4.38Å; Q497-L588 HydrophobicContact CG-CD2 4.45Å; F498-L588 WeakPolarHBondContact O-CA 3.45Å; L542-L588 CarbonylContact C-O 3.24Å; L542-L588 WeakPolarHBondContact CA-O 3.33Å; Y543-L588 PolarHBondContact N-O 3.35Å; Y543-L588 PolarHBondContact O-N 2.93Å; L545-L588 HydrophobicContact CD1-CB 4.38Å; L545-L588 HydrophobicContact CD2-CB 3.95Å; L545-L588 HydrophobicContact CD2-CD1 4.46Å; L545-L588 HydrophobicContact CG-CB 4.07Å; P551-L588 HydrophobicContact CB-CD1 4.04Å; P551-L588 HydrophobicContact CG-CD1 4.18Å; M553-L588 HydrophobicContact CB-CD2 3.96Å; M553-L588 HydrophobicContact CG-CD1 4.41Å; M553-L588 HydrophobicContact CG-CD2 3.7Å; F557-L588 HydrophobicContact CE1-CD2 4.04Å; F558-L588 HydrophobicContact CE1-CD2 4.14Å; F558-L588 HydrophobicContact CZ-CD2 3.72Å; L588-V590 HydrophobicContact CD2-CG2 4.16Å; L588-V590 HydrophobicContact CG-CG2 4.18Å; L588-T618 HydrophobicContact CD1-CG2 4.08Å
589	L	98.2	Very high	96.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	122.3	177.9	177.1	56.9	0	0	0	109.5	F498 I518 F540 L542 L604 L606	F498-L589 HydrophobicContact CB-CB 4.24Å; F498-L589 PolarHBondContact N-O 2.99Å; F498-L589 PolarHBondContact O-N 3.43Å; I518-L589 HydrophobicContact CD1-CD1 4.08Å; I518-L589 HydrophobicContact CD1-CD2 4.05Å; I518-L589 HydrophobicContact CG2-CD1 4.28Å; I518-L589 HydrophobicContact CG2-CD2 3.92Å; F540-L589 HydrophobicContact CB-CD1 3.86Å; F540-L589 HydrophobicContact CD2-CD1 3.73Å; F540-L589 HydrophobicContact CG-CD1 4.04Å; L542-L589 HydrophobicContact CD1-CB 3.93Å; L542-L589 HydrophobicContact CD1-CD1 4.17Å; L589-L604 HydrophobicContact CD2-CD1 4.11Å; L589-L604 HydrophobicContact CD2-CD2 3.75Å; L589-L604 HydrophobicContact CD2-CG 4.36Å; L589-L604 HydrophobicContact CG-CD2 4.29Å; L589-L606 HydrophobicContact CD2-CD2 4.07Å
590	V	98.1	Very high	96.1	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	95.6	-173.6	-174.8	0	0	0	0	109.7	N495 Q497 F540 V541 Y543 F558 L588	N495-V590 HydrophobicContact CB-CG1 3.6Å; Q497-V590 HydrophobicContact CG-CG2 4.39Å; F540-V590 WeakPolarHBondContact CA-O 3.49Å; V541-V590 PolarHBondContact N-O 2.53Å; V541-V590 PolarHBondContact O-N 3.22Å; Y543-V590 HydrophobicContact CD2-CG2 4.27Å; Y543-V590 HydrophobicContact CE2-CG2 4.31Å; F558-V590 HydrophobicContact CE1-CG2 4.08Å; F558-V590 HydrophobicContact CZ-CG2 4.34Å; L588-V590 HydrophobicContact CD2-CG2 4.16Å; L588-V590 HydrophobicContact CG-CG2 4.18Å
591	P	98.2	Very high	96.1	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	129.9	169.9	28.9	-34.4	0	0	0	110.9	W476 P496 F498 L520 F602	W476-P591 HydrophobicContact CZ2-CB 4.38Å; W476-P591 PolarHBondContact NE1-O 2.89Å; W476-P591 VanDerWaalsContact NE1-O 3.07Å; P496-P591 WeakPolarHBondContact O-CD 3.07Å; F498-P591 HydrophobicContact CD2-CG 3.9Å; F498-P591 HydrophobicContact CE2-CG 3.57Å; L520-P591 HydrophobicContact CD1-CB 3.61Å; L520-P591 HydrophobicContact CD2-CB 3.74Å; L520-P591 HydrophobicContact CG-CB 4.31Å; P591-F602 HydrophobicContact CB-CD2 4.41Å; P591-F602 HydrophobicContact CB-CE2 4.12Å; P591-F602 HydrophobicContact CB-CZ 4.27Å; P591-F602 HydrophobicContact CG-CD2 4.35Å; P591-F602 HydrophobicContact CG-CE1 4.35Å; P591-F602 HydrophobicContact CG-CE2 3.59Å; P591-F602 HydrophobicContact CG-CZ 3.58Å
592	C	97.8	Very high	96.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	160.3	-175.7	54.5	0	0	0	0	112.2	G484 N495 G539	G484-C592 WeakPolarHBondContact O-CB 3.4Å; N495-C592 HydrophobicContact CB-CB 4.45Å; G539-C592 PolarHBondContact N-O 2.68Å; G539-C592 PolarHBondContact O-N 3.33Å
593	T	97.2	Very high	96.4	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	159.2	165.7	49.5	0	0	0	0	110	W476 G484 R485 A536 S537 I538 A595 Q598	W476-T593 HydrophobicContact CD2-CG2 3.95Å; W476-T593 HydrophobicContact CE3-CG2 3.86Å; W476-T593 HydrophobicContact CH2-CG2 4.31Å; W476-T593 HydrophobicContact CZ2-CG2 4.39Å; W476-T593 HydrophobicContact CZ3-CG2 4.05Å; G484-T593 CarbonylContact C-O 3.6Å; G484-T593 VanDerWaalsContact C-O 3.24Å; G484-T593 VanDerWaalsContact CA-O 3.22Å; G484-T593 WeakPolarHBondContact CA-O 3.17Å; R485-T593 PolarHBondContact N-O 2.96Å; R485-T593 VanDerWaalsContact N-O 3.08Å; A536-T593 HydrophobicContact CB-CG2 4.04Å; S537-T593 CarbonylContact O-C 3.6Å; S537-T593 WeakPolarHBondContact O-CA 3.35Å; I538-T593 HydrophobicContact CG2-CG2 4.2Å; T593-A595 WeakPolarHBondContact CB-O 3.35Å; T593-A595 PolarHBondContact OG1-O 3.47Å; T593-Q598 HydrophobicContact CG2-CB 3.85Å
594	Y	95.9	Very high	96.4	Very high	43 Å²	43	27.9 Å²	27.9	17%	0.169	16%	0.162	C	C	.	.	S	Bend	trans	-64	-44.7	178.2	-175.8	-103.1	0	0	0	112	Q49 R485 S537 F570	Q49-Y594 HydrophobicContact CB-CD1 4.16Å; Q49-Y594 HydrophobicContact CB-CD2 3.9Å; Q49-Y594 HydrophobicContact CB-CE1 3.82Å; Q49-Y594 HydrophobicContact CB-CE2 3.56Å; Q49-Y594 HydrophobicContact CB-CG 4.18Å; Q49-Y594 HydrophobicContact CG-CD1 3.91Å; Q49-Y594 HydrophobicContact CG-CD2 4.07Å; Q49-Y594 HydrophobicContact CG-CE1 4.04Å; Q49-Y594 HydrophobicContact CG-CE2 4.22Å; Q49-Y594 HydrophobicContact CG-CG 3.91Å; R485-Y594 VanDerWaalsContact CD-CD2 3.47Å; R485-Y594 VanDerWaalsContact CD-CE2 3.45Å; R485-Y594 WeakPolarHBondContact CG-O 3.49Å; R485-Y594 VanDerWaalsContact CZ-OH 3.24Å; R485-Y594 PolarHBondContact NH1-O 2.75Å; R485-Y594 PolarHBondContact NH1-OH 2.83Å; R485-Y594 VanDerWaalsContact NH2-CZ 3.29Å; R485-Y594 PolarHBondContact NH2-OH 2.76Å; S537-Y594 PolarHBondContact O-N 2.97Å; F570-Y594 HydrophobicContact CB-CD2 3.59Å; F570-Y594 HydrophobicContact CB-CE2 4.5Å; F570-Y594 HydrophobicContact CB-CG 4.19Å; F570-Y594 HydrophobicContact CD1-CD2 4.27Å; F570-Y594 AromaticContact CD2-CD2 3.99Å; F570-Y594 HydrophobicContact CD2-CD2 3.99Å; F570-Y594 AromaticContact CG-CD2 3.69Å; F570-Y594 HydrophobicContact CG-CD2 3.69Å; F570-Y594 HydrophobicContact CG-CG 4.41Å
595	A	95.7	Very high	96.5	Very high	41 Å²	41	25.7 Å²	25.7	34%	0.339	15%	0.147	S	C	.	.	S	Bend	trans	-98.5	151.5	173.5	0	0	0	0	0	110.7	T593 Q598	T593-A595 WeakPolarHBondContact CB-O 3.35Å; T593-A595 PolarHBondContact OG1-O 3.47Å; A595-Q598 HydrophobicContact CB-CG 4.19Å
596	A	95	Very high	96.5	Very high	21 Å²	21	24.9 Å²	24.9	17%	0.174	14%	0.139	C	C	.	.	S	Bend	trans	-70	169.7	168.5	0	0	0	0	0	111.3	C482 I488 Q598	C482-A596 WeakPolarHBondContact O-CA 2.64Å; I488-A596 HydrophobicContact CD1-CB 4.02Å; I488-A596 HydrophobicContact CG2-CB 4.4Å; A596-Q598 PolarHBondContact O-N 3.5Å; A596-Q598 VanDerWaalsContact O-N 3.14Å
597	D	94.5	Very high	96.4	Very high	79 Å²	79	21.4 Å²	21.4	42%	0.422	12%	0.123	S	C	.	.	S	Bend	trans	58.5	24.7	176.6	-61.3	-45.2	0	0	0	115.9	C482 P599	C482-D597 PolarHBondContact O-N 3.21Å; D597-P599 WeakPolarHBondContact O-CD 3.29Å
598	Q	94.7	Very high	96.2	Very high	88 Å²	88	21.4 Å²	21.4	41%	0.411	12%	0.123	S	C	.	.			trans	-98.6	98.8	173.8	-63.9	-56.6	-51.1	0	0	110.6	W476 C482 T593 A595 A596	W476-Q598 WeakPolarHBondContact CB-O 2.95Å; C482-Q598 PolarHBondContact SG-O 3.04Å; T593-Q598 HydrophobicContact CG2-CB 3.85Å; A595-Q598 HydrophobicContact CB-CG 4.19Å; A596-Q598 PolarHBondContact O-N 3.5Å; A596-Q598 VanDerWaalsContact O-N 3.14Å
599	P	94.6	Very high	95.7	Very high	66 Å²	66	22.7 Å²	22.7	43%	0.429	13%	0.13	S	C	.	.			trans	-74.6	147.3	178.5	31.3	-35.7	0	0	0	111.6	W476 D597	W476-P599 WeakPolarHBondContact O-CA 3.47Å; D597-P599 WeakPolarHBondContact O-CD 3.29Å
600	G	94	Very high	95.2	Very high	21 Å²	21	24 Å²	24	22%	0.216	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.9	166	178.6	0	0	0	0	0	112.7	R475 W476	R475-G600 CarbonylContact C-O 3.55Å; R475-G600 VanDerWaalsContact CA-O 3.3Å; R475-G600 WeakPolarHBondContact CA-O 3.23Å; W476-G600 PolarHBondContact N-O 3.38Å; W476-G600 PolarHBondContact O-N 2.67Å
601	E	95.3	Very high	94.6	Very high	81 Å²	81	28.8 Å²	28.8	38%	0.379	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	143	170.6	-54.6	-169.2	158.3	0	0	108.5	F236 R475 Q522 A523	F236-E601 HydrophobicContact CE1-CB 4.06Å; F236-E601 HydrophobicContact CZ-CB 4.11Å; R475-E601 HydrophobicContact CG-CG 4.17Å; R475-E601 IonicContact CZ-OE1 3.81Å; R475-E601 IonicContact NE-OE1 3.04Å; R475-E601 PolarHBondContact NE-OE1 3.3Å; R475-E601 IonicContact NH2-OE1 3.52Å; R475-E601 PolarHBondContact NH2-OE1 3.04Å; Q522-E601 WeakPolarHBondContact CA-O 3.39Å; A523-E601 PolarHBondContact N-O 2.96Å
602	F	97	Very high	94.2	Very high	1 Å²	1	31 Å²	31	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	157.3	174.6	66	-96.2	0	0	0	112.3	F236 G474 R475 W476 P496 F498 L520 M521 P591 L604	F236-F602 VanDerWaalsContact CZ-CA 3.49Å; G474-F602 VanDerWaalsContact C-CE1 3.41Å; G474-F602 VanDerWaalsContact CA-CZ 3.46Å; G474-F602 PolarHBondContact N-O 2.91Å; G474-F602 PolarHBondContact O-N 2.9Å; R475-F602 VanDerWaalsContact N-CE1 3.33Å; W476-F602 AromaticContact CD2-CD1 3.73Å; W476-F602 HydrophobicContact CD2-CD1 3.73Å; W476-F602 HydrophobicContact CD2-CE1 4.16Å; W476-F602 AromaticContact CE2-CD1 3.52Å; W476-F602 AromaticContact CE2-CE1 3.82Å; W476-F602 AromaticContact CE3-CD1 3.97Å; W476-F602 HydrophobicContact CE3-CD1 3.97Å; W476-F602 HydrophobicContact CG-CD1 4.38Å; W476-F602 HydrophobicContact CG-CE1 4.4Å; W476-F602 HydrophobicContact CH2-CB 3.68Å; W476-F602 AromaticContact CH2-CD1 3.85Å; W476-F602 HydrophobicContact CH2-CD1 3.85Å; W476-F602 HydrophobicContact CH2-CG 4.04Å; W476-F602 HydrophobicContact CZ2-CB 4.18Å; W476-F602 AromaticContact CZ2-CD1 3.6Å; W476-F602 HydrophobicContact CZ2-CD1 3.6Å; W476-F602 HydrophobicContact CZ2-CE1 4.19Å; W476-F602 HydrophobicContact CZ2-CG 4.03Å; W476-F602 HydrophobicContact CZ3-CB 3.93Å; W476-F602 HydrophobicContact CZ3-CD1 4.03Å; W476-F602 HydrophobicContact CZ3-CG 4.42Å; W476-F602 AromaticContact NE1-CE1 3.82Å; P496-F602 HydrophobicContact CB-CE1 4.4Å; P496-F602 HydrophobicContact CB-CZ 3.86Å; P496-F602 HydrophobicContact CG-CE1 3.87Å; P496-F602 HydrophobicContact CG-CZ 3.84Å; F498-F602 AromaticContact CE2-CE2 3.88Å; F498-F602 HydrophobicContact CE2-CE2 3.88Å; F498-F602 AromaticContact CE2-CZ 4Å; F498-F602 HydrophobicContact CE2-CZ 4Å; F498-F602 AromaticContact CZ-CE2 3.95Å; F498-F602 HydrophobicContact CZ-CE2 3.95Å; F498-F602 HydrophobicContact CZ-CZ 4.2Å; L520-F602 HydrophobicContact CD1-CB 3.75Å; L520-F602 HydrophobicContact CD1-CD2 3.57Å; L520-F602 HydrophobicContact CD1-CE2 4.41Å; L520-F602 HydrophobicContact CD1-CG 3.84Å; M521-F602 CarbonylContact O-C 3.51Å; M521-F602 WeakPolarHBondContact O-CA 3.38Å; M521-F602 VanDerWaalsContact O-CB 3.3Å; M521-F602 WeakPolarHBondContact O-CB 3.45Å; P591-F602 HydrophobicContact CB-CD2 4.41Å; P591-F602 HydrophobicContact CB-CE2 4.12Å; P591-F602 HydrophobicContact CB-CZ 4.27Å; P591-F602 HydrophobicContact CG-CD2 4.35Å; P591-F602 HydrophobicContact CG-CE1 4.35Å; P591-F602 HydrophobicContact CG-CE2 3.59Å; P591-F602 HydrophobicContact CG-CZ 3.58Å; F602-L604 HydrophobicContact CD2-CB 4.49Å
603	L	97.3	Very high	93.9	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	117.1	170.4	177.7	68.8	0	0	0	107.3	W234 F236 H471 R473 M521 R605	W234-L603 HydrophobicContact CH2-CD2 3.69Å; W234-L603 HydrophobicContact CZ2-CD2 3.84Å; F236-L603 HydrophobicContact CD2-CB 4.04Å; F236-L603 HydrophobicContact CE2-CB 3.7Å; F236-L603 HydrophobicContact CZ-CB 4.02Å; H471-L603 HydrophobicContact CB-CD1 4.34Å; R473-L603 HydrophobicContact CG-CD1 3.84Å; M521-L603 HydrophobicContact CB-CB 4.35Å; M521-L603 PolarHBondContact N-O 2.93Å; M521-L603 PolarHBondContact O-N 2.82Å; L603-R605 HydrophobicContact CD2-CG 3.99Å; L603-R605 HydrophobicContact CG-CG 3.82Å
604	L	97.6	Very high	93.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	125.8	174.1	-174.9	68.9	0	0	0	108.5	H471 L472 F498 I518 L520 L589 F602 L606	H471-L604 CarbonylContact C-O 3.59Å; H471-L604 WeakPolarHBondContact CA-O 3.47Å; L472-L604 HydrophobicContact CB-CB 4.41Å; L472-L604 PolarHBondContact N-O 2.81Å; L472-L604 PolarHBondContact O-N 2.81Å; F498-L604 HydrophobicContact CB-CD2 4.25Å; F498-L604 HydrophobicContact CD1-CD2 4.16Å; F498-L604 HydrophobicContact CD2-CD2 3.76Å; F498-L604 HydrophobicContact CE1-CD2 4.47Å; F498-L604 HydrophobicContact CE2-CD2 4.13Å; F498-L604 HydrophobicContact CG-CD2 3.77Å; F498-L604 HydrophobicContact CZ-CD2 4.46Å; I518-L604 HydrophobicContact CG2-CD1 3.94Å; L520-L604 HydrophobicContact CB-CD1 4.45Å; L520-L604 HydrophobicContact CD1-CD1 4.23Å; L589-L604 HydrophobicContact CD2-CD1 4.11Å; L589-L604 HydrophobicContact CD2-CD2 3.75Å; L589-L604 HydrophobicContact CD2-CG 4.36Å; L589-L604 HydrophobicContact CG-CD2 4.29Å; F602-L604 HydrophobicContact CD2-CB 4.49Å; L604-L606 HydrophobicContact CD2-CD1 4.1Å; L604-L606 HydrophobicContact CG-CD1 3.86Å
605	R	96.9	Very high	93.6	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	129.7	-178.3	-51.8	-172.1	-68.3	167.3	7.2	109	W234 D296 G301 L302 V470 A519 E575 L603	W234-R605 VanDerWaalsContact CH2-NH1 3.27Å; D296-R605 IonicContact OD2-CZ 3.57Å; D296-R605 IonicContact OD2-NH1 2.86Å; D296-R605 IonicContact OD2-NH2 2.78Å; D296-R605 PolarHBondContact OD2-NH2 3.31Å; G301-R605 PolarHBondContact O-NH1 3.39Å; L302-R605 HydrophobicContact CD1-CB 3.76Å; V470-R605 CarbonylContact O-C 3.43Å; V470-R605 VanDerWaalsContact O-CA 3.32Å; V470-R605 WeakPolarHBondContact O-CA 3.32Å; A519-R605 HydrophobicContact CB-CB 4.27Å; A519-R605 PolarHBondContact N-O 2.94Å; A519-R605 PolarHBondContact O-N 2.99Å; E575-R605 IonicContact OE1-CZ 3.38Å; E575-R605 IonicContact OE1-NE 3.98Å; E575-R605 PolarHBondContact OE1-NE 3.38Å; E575-R605 IonicContact OE1-NH2 2.76Å; E575-R605 PolarHBondContact OE1-NH2 3.32Å; E575-R605 IonicContact OE2-CZ 3.94Å; E575-R605 IonicContact OE2-NH2 3.51Å; E575-R605 PolarHBondContact OE2-NH2 3.33Å; L603-R605 HydrophobicContact CD2-CG 3.99Å; L603-R605 HydrophobicContact CG-CG 3.82Å
606	L	96.5	Very high	93.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	137.6	178.3	-62.1	88.8	0	0	0	109.6	S469 V470 L500 T516 V517 I518 L589 L604 F608 C615	S469-L606 WeakPolarHBondContact CA-O 3.26Å; V470-L606 HydrophobicContact CB-CB 4.49Å; V470-L606 HydrophobicContact CG1-CD1 4.47Å; V470-L606 PolarHBondContact N-O 3.36Å; V470-L606 PolarHBondContact O-N 3.36Å; L500-L606 HydrophobicContact CD1-CD2 4.14Å; T516-L606 HydrophobicContact CG2-CD2 4.46Å; V517-L606 CarbonylContact O-C 3.46Å; V517-L606 VanDerWaalsContact O-CA 3.26Å; V517-L606 WeakPolarHBondContact O-CA 3.4Å; I518-L606 HydrophobicContact CG1-CD2 4.3Å; I518-L606 HydrophobicContact CG1-CG 4.5Å; L589-L606 HydrophobicContact CD2-CD2 4.07Å; L604-L606 HydrophobicContact CD2-CD1 4.1Å; L604-L606 HydrophobicContact CG-CD1 3.86Å; L606-F608 HydrophobicContact CB-CE1 4.19Å; L606-F608 HydrophobicContact CB-CE2 3.97Å; L606-F608 HydrophobicContact CB-CZ 3.6Å; L606-F608 HydrophobicContact CD2-CE1 4.18Å; L606-F608 HydrophobicContact CD2-CZ 3.82Å; L606-F608 HydrophobicContact CG-CZ 4.35Å; L606-C615 HydrophobicContact CD1-CB 4.18Å; L606-C615 HydrophobicContact CD2-CB 3.95Å
607	L	94.2	Very high	93.5	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	141.4	167.7	-49.8	177.1	0	0	0	109.9	L302 H446 T448 F467 V517	L302-L607 HydrophobicContact CB-CD1 4.19Å; L302-L607 HydrophobicContact CD1-CD1 4.1Å; L302-L607 HydrophobicContact CD1-CD2 4.24Å; L302-L607 HydrophobicContact CD1-CG 3.87Å; L302-L607 HydrophobicContact CD2-CD1 3.88Å; L302-L607 HydrophobicContact CD2-CG 4.48Å; L302-L607 HydrophobicContact CG-CD1 4.28Å; H446-L607 HydrophobicContact CB-CD1 3.56Å; T448-L607 HydrophobicContact CG2-CD2 3.81Å; F467-L607 HydrophobicContact CB-CB 4.28Å; F467-L607 HydrophobicContact CB-CD2 4.04Å; F467-L607 HydrophobicContact CD1-CB 4.23Å; F467-L607 HydrophobicContact CG-CB 4.43Å; F467-L607 HydrophobicContact CG-CD1 4.42Å; V517-L607 HydrophobicContact CB-CB 4.06Å; V517-L607 HydrophobicContact CB-CD1 4.49Å; V517-L607 HydrophobicContact CB-CG 4.44Å; V517-L607 HydrophobicContact CG2-CB 4.46Å; V517-L607 PolarHBondContact N-O 2.75Å; V517-L607 PolarHBondContact O-N 2.93Å
608	F	92.6	Very high	93.3	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.018	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	155	178.7	-51.6	-69.7	0	0	0	110.6	F467 P468 V470 L500 T516 L606 N610 R613 C615	F467-F608 WeakPolarHBondContact CD1-O 3.46Å; P468-F608 HydrophobicContact CB-CB 4.42Å; P468-F608 WeakPolarHBondContact CD-O 3.27Å; P468-F608 PolarHBondContact O-N 2.86Å; V470-F608 HydrophobicContact CB-CE2 4.39Å; V470-F608 HydrophobicContact CG2-CE2 3.92Å; L500-F608 HydrophobicContact CD1-CE1 3.72Å; L500-F608 HydrophobicContact CD1-CZ 3.88Å; T516-F608 HydrophobicContact CG2-CD1 3.96Å; T516-F608 HydrophobicContact CG2-CE1 3.63Å; L606-F608 HydrophobicContact CB-CE1 4.19Å; L606-F608 HydrophobicContact CB-CE2 3.97Å; L606-F608 HydrophobicContact CB-CZ 3.6Å; L606-F608 HydrophobicContact CD2-CE1 4.18Å; L606-F608 HydrophobicContact CD2-CZ 3.82Å; L606-F608 HydrophobicContact CG-CZ 4.35Å; F608-N610 VanDerWaalsContact CB-O 3.32Å; F608-N610 WeakPolarHBondContact CB-O 3.42Å; F608-R613 HydrophobicContact CB-CB 4.23Å; F608-R613 HydrophobicContact CB-CG 3.77Å; F608-R613 HydrophobicContact CD1-CB 3.61Å; F608-R613 HydrophobicContact CD1-CG 3.62Å; F608-R613 HydrophobicContact CD2-CB 3.78Å; F608-R613 HydrophobicContact CD2-CG 4.29Å; F608-R613 HydrophobicContact CE1-CB 3.77Å; F608-R613 HydrophobicContact CE1-CG 4.24Å; F608-R613 HydrophobicContact CE2-CB 3.95Å; F608-R613 HydrophobicContact CG-CB 3.59Å; F608-R613 HydrophobicContact CG-CG 3.62Å; F608-R613 HydrophobicContact CZ-CB 3.93Å; F608-C615 HydrophobicContact CZ-CB 4.5Å
609	D	87.8	Confident	92.6	Very high	27 Å²	27	30.8 Å²	30.8	14%	0.144	18%	0.175	C	C	.	.	S	Bend	trans	-80.1	-21.1	168.2	-95.7	-8.8	0	0	0	112	K328 R332	K328-D609 IonicContact NZ-OD2 3.92Å; K328-D609 PolarHBondContact NZ-OD2 3.36Å; R332-D609 IonicContact CZ-OD1 2.85Å; R332-D609 IonicContact NH1-OD1 3.76Å; R332-D609 IonicContact NH2-OD1 2.9Å; R332-D609 PolarHBondContact NH2-OD1 2.75Å
610	N	87.3	Confident	91.6	Very high	28 Å²	28	33.5 Å²	33.5	15%	0.15	18%	0.183	C	C	.	.	S	Bend	trans	-125.3	138.1	-176.5	-169	-25.4	0	0	0	111.2	F608 D612 R613	F608-N610 VanDerWaalsContact CB-O 3.32Å; F608-N610 WeakPolarHBondContact CB-O 3.42Å; N610-D612 VanDerWaalsContact C-N 3.33Å; N610-D612 PolarHBondContact ND2-OD1 3.38Å; N610-D612 PolarHBondContact O-N 3.38Å; N610-D612 PolarHBondContact OD1-N 2.86Å; N610-D612 PolarHBondContact OD1-OD1 2.78Å; N610-D612 VanDerWaalsContact OD1-OD1 3.1Å; N610-R613 WeakPolarHBondContact O-CG 3.35Å
611	P	86.3	Confident	91	Very high	101 Å²	101	41.5 Å²	41.5	66%	0.656	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-10.6	179.6	28.2	-38.3	0	0	0	116.1	P468 R613	P468-P611 HydrophobicContact CB-CB 4.15Å; P468-P611 HydrophobicContact CG-CB 3.8Å; P468-P611 HydrophobicContact CG-CG 4.46Å; P611-R613 PolarHBondContact O-N 3.27Å
612	D	89.4	Confident	90.6	Very high	47 Å²	47	41 Å²	41	25%	0.251	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	1.8	180	73.3	-20.5	0	0	0	114.3	N503 S504 N610	N503-D612 PolarHBondContact ND2-O 3.2Å; S504-D612 PolarHBondContact OG-OD2 2.97Å; N610-D612 VanDerWaalsContact C-N 3.33Å; N610-D612 PolarHBondContact ND2-OD1 3.38Å; N610-D612 PolarHBondContact O-N 3.38Å; N610-D612 PolarHBondContact OD1-N 2.86Å; N610-D612 PolarHBondContact OD1-OD1 2.78Å; N610-D612 VanDerWaalsContact OD1-OD1 3.1Å
613	R	92.3	Very high	90.1	Very high	10 Å²	10	46 Å²	46	4%	0.038	23%	0.232	C	C	.	.			trans	-84.4	140.6	179.5	-45.5	-58.3	-175.8	-133.2	0.3	110.2	V501 S504 P505 D506 F608 N610 P611	V501-R613 WeakPolarHBondContact O-CA 3.46Å; S504-R613 PolarHBondContact O-NH1 2.93Å; S504-R613 PolarHBondContact O-NH2 3.24Å; S504-R613 PolarHBondContact OG-NH1 3.35Å; P505-R613 PolarHBondContact O-NH2 3.44Å; D506-R613 IonicContact OD1-CZ 3.06Å; D506-R613 IonicContact OD1-NH2 2.78Å; D506-R613 PolarHBondContact OD1-NH2 2.77Å; F608-R613 HydrophobicContact CB-CB 4.23Å; F608-R613 HydrophobicContact CB-CG 3.77Å; F608-R613 HydrophobicContact CD1-CB 3.61Å; F608-R613 HydrophobicContact CD1-CG 3.62Å; F608-R613 HydrophobicContact CD2-CB 3.78Å; F608-R613 HydrophobicContact CD2-CG 4.29Å; F608-R613 HydrophobicContact CE1-CB 3.77Å; F608-R613 HydrophobicContact CE1-CG 4.24Å; F608-R613 HydrophobicContact CE2-CB 3.95Å; F608-R613 HydrophobicContact CG-CB 3.59Å; F608-R613 HydrophobicContact CG-CG 3.62Å; F608-R613 HydrophobicContact CZ-CB 3.93Å; N610-R613 WeakPolarHBondContact O-CG 3.35Å; P611-R613 PolarHBondContact O-N 3.27Å
614	I	92.5	Very high	89.7	Confident	85 Å²	85	48.9 Å²	48.9	44%	0.436	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134.7	-178.4	-56.5	173.1	0	0	0	108.9	L500 V501	L500-I614 CarbonylContact C-O 3.44Å; L500-I614 WeakPolarHBondContact CA-O 3.5Å; V501-I614 HydrophobicContact CB-CB 4.35Å; V501-I614 PolarHBondContact N-O 3.46Å; V501-I614 PolarHBondContact O-N 3.06Å; V501-I614 VanDerWaalsContact O-N 3.12Å
615	C	94.9	Very high	89.1	Confident	10 Å²	10	51.6 Å²	51.6	7%	0.068	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	126.6	166.6	-170.1	0	0	0	0	110.4	V470 L472 R499 L500 L606 F608	V470-C615 HydrophobicContact CG1-CB 4.07Å; V470-C615 WeakPolarHBondContact CG1-O 3.2Å; L472-C615 HydrophobicContact CD1-CB 4.47Å; R499-C615 VanDerWaalsContact O-CA 3.24Å; R499-C615 WeakPolarHBondContact O-CA 3.38Å; L500-C615 HydrophobicContact CD1-CB 4.27Å; L606-C615 HydrophobicContact CD1-CB 4.18Å; L606-C615 HydrophobicContact CD2-CB 3.95Å; F608-C615 HydrophobicContact CZ-CB 4.5Å
616	E	94.3	Very high	88.5	Confident	86 Å²	86	53.8 Å²	53.8	40%	0.402	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	155.6	-174.5	64	-172.4	175.4	0	0	111.3	F498 R499	F498-E616 CarbonylContact C-O 3.49Å; F498-E616 VanDerWaalsContact CA-O 3.24Å; F498-E616 WeakPolarHBondContact CA-O 3.48Å; R499-E616 HydrophobicContact CB-CG 4.2Å; R499-E616 PolarHBondContact N-O 3.46Å; R499-E616 PolarHBondContact O-N 3.44Å
617	S	93.1	Very high	87.8	Confident	33 Å²	33	55.6 Å²	55.6	23%	0.231	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	138.4	173.4	-173.8	0	0	0	0	109.9	L619	S617-L619 PolarHBondContact O-N 2.96Å
618	T	90.5	Very high	87.3	Confident	25 Å²	25	56.4 Å²	56.4	15%	0.153	30%	0.304	C	S	.	.	S	Bend	trans	-80.9	-5.6	179.8	70	0	0	0	0	112.9	Q497 R499 P551 L588	Q497-T618 HydrophobicContact CB-CG2 4.06Å; Q497-T618 WeakPolarHBondContact CB-OG1 3.45Å; Q497-T618 WeakPolarHBondContact O-CG2 3.41Å; Q497-T618 PolarHBondContact O-N 2.82Å; Q497-T618 VanDerWaalsContact O-N 3.1Å; Q497-T618 PolarHBondContact O-OG1 3.44Å; R499-T618 HydrophobicContact CB-CG2 4.16Å; P551-T618 HydrophobicContact CB-CG2 3.4Å; P551-T618 HydrophobicContact CG-CG2 4.34Å; L588-T618 HydrophobicContact CD1-CG2 4.08Å
619	L	81	Confident	86.8	Confident	18 Å²	18	59 Å²	59	9%	0.094	33%	0.326	C	S	.	.			trans	-138.9	61	-165.3	-117.4	156.4	0	0	0	110.9	P552 S617 T748 L749	P552-L619 HydrophobicContact CB-CD1 3.69Å; P552-L619 HydrophobicContact CB-CG 4.31Å; P552-L619 HydrophobicContact CG-CD1 3.71Å; P552-L619 HydrophobicContact CG-CG 3.98Å; S617-L619 PolarHBondContact O-N 2.96Å; L619-T748 HydrophobicContact CD2-CG2 4.04Å; L619-L749 WeakPolarHBondContact CD2-O 3.49Å
620	E	72.8	Confident	86.5	Confident	124 Å²	124	63.4 Å²	63.4	58%	0.579	35%	0.354	S	S	*	.			trans	-98.7	-26	-176.9	-63.8	-166.8	168.1	0	0	114.1
621	R	81.5	Confident	86.3	Confident	189 Å²	189	62.8 Å²	62.8	71%	0.713	36%	0.355	S	S	*	.	S	Bend	trans	-128.3	157.2	-169	-61.2	-175	-175.7	-172.9	1.9	111.9
622	V	86.8	Confident	86.3	Confident	69 Å²	69	58.7 Å²	58.7	42%	0.418	33%	0.329	S	S	.	.			trans	-76.6	125	168.5	175.6	0	0	0	0	107.8	L624 T748 L749 L753	V622-L624 HydrophobicContact CG1-CD2 4.44Å; V622-T748 VanDerWaalsContact CA-O 3.31Å; V622-T748 WeakPolarHBondContact CA-O 3.38Å; V622-L749 HydrophobicContact CG1-CD2 3.93Å; V622-L749 HydrophobicContact CG2-CD2 4.02Å; V622-L753 HydrophobicContact CG2-CD2 3.78Å
623	E	86.4	Confident	86.1	Confident	108 Å²	108	63.3 Å²	63.3	51%	0.505	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	145.4	174.3	-57.8	-176.6	164.9	0	0	110.2	T748	E623-T748 PolarHBondContact N-O 3.01Å; E623-T748 PolarHBondContact O-N 2.86Å
624	L	88.3	Confident	86	Confident	61 Å²	61	67 Å²	67	32%	0.319	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	129.5	-178.8	-56.8	174.9	0	0	0	109.3	V622 A628 G746 Y747 V784	V622-L624 HydrophobicContact CG1-CD2 4.44Å; L624-A628 HydrophobicContact CD2-CB 4.3Å; L624-G746 CarbonylContact C-O 3.57Å; L624-G746 WeakPolarHBondContact CA-O 3.47Å; L624-Y747 HydrophobicContact CD2-CD1 3.52Å; L624-Y747 HydrophobicContact CD2-CE1 3.74Å; L624-V784 HydrophobicContact CD1-CG1 3.5Å; L624-V784 VanDerWaalsContact CD1-CG1 3.5Å; L624-V784 HydrophobicContact CD2-CG1 3.97Å; L624-V784 HydrophobicContact CD2-CG2 4.16Å; L624-V784 HydrophobicContact CG-CG1 4.39Å
625	S	86.5	Confident	85.8	Confident	58 Å²	58	63 Å²	63	41%	0.406	35%	0.353	S	S	.	.			trans	-144.7	176.8	177.6	64.3	0	0	0	0	110.6	L627 A628 A629 G746	S625-L627 PolarHBondContact O-N 2.64Å; S625-A628 PolarHBondContact O-N 2.73Å; S625-A628 VanDerWaalsContact O-N 3.14Å; S625-A629 PolarHBondContact O-N 2.91Å; S625-G746 PolarHBondContact N-O 3.28Å; S625-G746 WeakPolarHBondContact O-CA 3.31Å
626	G	84.4	Confident	85.5	Confident	45 Å²	45	67.5 Å²	67.5	46%	0.464	38%	0.382	S	S	.	.	H	α-helix	trans	45.6	-129.1	170.8	0	0	0	0	0	114.5	A628 A629 T630	G626-A628 VanDerWaalsContact C-N 3.27Å; G626-A628 PolarHBondContact O-N 2.73Å; G626-A629 PolarHBondContact O-N 2.88Å; G626-T630 PolarHBondContact O-N 2.91Å; G626-T630 PolarHBondContact O-OG1 3.02Å
627	L	81.6	Confident	85.2	Confident	39 Å²	39	67 Å²	67	20%	0.204	38%	0.383	C	S	.	.	H	α-helix	trans	-54.3	-38.3	-177.4	-174.9	77.3	0	0	0	113.2	S625 A629 G631 P632 L721 A745	S625-L627 PolarHBondContact O-N 2.64Å; L627-A629 VanDerWaalsContact C-N 3.3Å; L627-A629 PolarHBondContact O-N 3.34Å; L627-G631 WeakPolarHBondContact O-CA 3.32Å; L627-G631 PolarHBondContact O-N 3.03Å; L627-P632 HydrophobicContact CD1-CB 3.9Å; L627-L721 HydrophobicContact CD2-CD1 4.32Å; L627-A745 WeakPolarHBondContact CB-O 3.08Å; L627-A745 HydrophobicContact CD2-CB 4.34Å
628	A	83.1	Confident	85	Confident	17 Å²	17	65.6 Å²	65.6	14%	0.14	37%	0.372	C	S	.	.	H	α-helix	trans	-68.5	-27.6	177.4	0	0	0	0	0	113.4	L624 S625 G626 A745 G746 Y747	L624-A628 HydrophobicContact CD2-CB 4.3Å; S625-A628 PolarHBondContact O-N 2.73Å; S625-A628 VanDerWaalsContact O-N 3.14Å; G626-A628 VanDerWaalsContact C-N 3.27Å; G626-A628 PolarHBondContact O-N 2.73Å; A628-A745 WeakPolarHBondContact CB-O 3.44Å; A628-A745 PolarHBondContact N-O 3.19Å; A628-G746 WeakPolarHBondContact CB-O 3.49Å; A628-Y747 HydrophobicContact CB-CD1 3.87Å; A628-Y747 HydrophobicContact CB-CD2 4.12Å; A628-Y747 HydrophobicContact CB-CE1 3.5Å; A628-Y747 HydrophobicContact CB-CE2 3.78Å; A628-Y747 HydrophobicContact CB-CG 4.16Å; A628-Y747 VanDerWaalsContact CB-CZ 3.44Å
629	A	81.9	Confident	85	Confident	58 Å²	58	69.3 Å²	69.3	48%	0.479	39%	0.388	S	S	.	.	H	α-helix	trans	-90.4	-42.6	179.6	0	0	0	0	0	112.6	S625 G626 L627	S625-A629 PolarHBondContact O-N 2.91Å; G626-A629 PolarHBondContact O-N 2.88Å; L627-A629 VanDerWaalsContact C-N 3.3Å; L627-A629 PolarHBondContact O-N 3.34Å
630	T	81.8	Confident	85.4	Confident	120 Å²	120	75.6 Å²	75.6	74%	0.736	42%	0.421	S	S	*	.	H	α-helix	trans	-96.8	-18	-173.9	60.6	0	0	0	0	113.7	G626	G626-T630 PolarHBondContact O-N 2.91Å; G626-T630 PolarHBondContact O-OG1 3.02Å
631	G	83	Confident	86.2	Confident	16 Å²	16	71.5 Å²	71.5	17%	0.165	40%	0.401	C	S	.	.			trans	80.6	167.8	-170.1	0	0	0	0	0	113.4	L627	L627-G631 WeakPolarHBondContact O-CA 3.32Å; L627-G631 PolarHBondContact O-N 3.03Å
632	P	86.7	Confident	86.7	Confident	15 Å²	15	64.4 Å²	64.4	10%	0.097	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-68.2	152.5	179.2	29.7	-41	0	0	0	114.4	L627 R710 D713 I714 S717	L627-P632 HydrophobicContact CD1-CB 3.9Å; P632-R710 VanDerWaalsContact CD-CZ 3.45Å; P632-D713 HydrophobicContact CB-CB 4.11Å; P632-D713 WeakPolarHBondContact CB-O 3.48Å; P632-D713 HydrophobicContact CG-CB 3.88Å; P632-I714 HydrophobicContact CG-CB 4.38Å; P632-I714 HydrophobicContact CG-CG1 3.57Å; P632-S717 WeakPolarHBondContact CB-OG 3.26Å
633	E	85.7	Confident	87	Confident	144 Å²	144	65.4 Å²	65.4	67%	0.673	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-67.8	133.2	169.6	-67.5	-167.2	156.4	0	0	110.7
634	P	89.4	Confident	87.2	Confident	86 Å²	86	65.7 Å²	65.7	56%	0.558	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-61.8	143.5	176.5	-19.4	30.4	0	0	0	112.4	P636	P634-P636 VanDerWaalsContact O-CD 3.22Å; P634-P636 WeakPolarHBondContact O-CD 3.31Å
635	D	88.4	Confident	87.5	Confident	3 Å²	3	62.8 Å²	62.8	2%	0.016	37%	0.365	C	S	.	.			trans	-68.4	115.9	169.5	-174.6	4.1	0	0	0	111	N637 Y638 R677 W712 D713 R716	D635-N637 PolarHBondContact O-N 2.87Å; D635-N637 VanDerWaalsContact O-N 3.12Å; D635-N637 PolarHBondContact OD1-N 3.48Å; D635-Y638 WeakPolarHBondContact O-CB 3.25Å; D635-Y638 PolarHBondContact O-N 3.41Å; D635-Y638 VanDerWaalsContact O-N 3.09Å; D635-R677 IonicContact OD1-CZ 2.7Å; D635-R677 IonicContact OD1-NH1 3.31Å; D635-R677 PolarHBondContact OD1-NH1 2.93Å; D635-R677 IonicContact OD1-NH2 3.2Å; D635-R677 PolarHBondContact OD1-NH2 2.65Å; D635-R677 IonicContact OD2-CZ 2.85Å; D635-R677 IonicContact OD2-NH1 3.44Å; D635-R677 IonicContact OD2-NH2 3.57Å; D635-R677 PolarHBondContact OD2-NH2 3.46Å; D635-W712 PolarHBondContact OD2-NE1 2.95Å; D635-D713 PolarHBondContact N-OD1 3.39Å; D635-R716 VanDerWaalsContact CB-NH1 3.31Å; D635-R716 IonicContact OD1-CZ 3.57Å; D635-R716 IonicContact OD1-NH1 3.45Å; D635-R716 PolarHBondContact OD1-NH1 2.63Å; D635-R716 IonicContact OD1-NH2 2.76Å; D635-R716 IonicContact OD2-NH1 3.93Å
636	P	88.1	Confident	87.8	Confident	104 Å²	104	66 Å²	66	68%	0.675	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-21.2	177.1	25.8	-35.9	0	0	0	112.9	P634	P634-P636 VanDerWaalsContact O-CD 3.22Å; P634-P636 WeakPolarHBondContact O-CD 3.31Å
637	N	88.2	Confident	88.3	Confident	76 Å²	76	72 Å²	72	41%	0.406	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	10.1	-179.6	-62	-6.4	0	0	0	112.9	D635 E639 L640 R677	D635-N637 PolarHBondContact O-N 2.87Å; D635-N637 VanDerWaalsContact O-N 3.12Å; D635-N637 PolarHBondContact OD1-N 3.48Å; N637-E639 VanDerWaalsContact C-N 3.31Å; N637-E639 PolarHBondContact O-N 2.8Å; N637-L640 VanDerWaalsContact O-CB 3.24Å; N637-L640 WeakPolarHBondContact O-CB 3.41Å; N637-L640 PolarHBondContact O-N 2.89Å; N637-R677 PolarHBondContact ND2-NH1 3.31Å
638	Y	88.7	Confident	88.9	Confident	3 Å²	3	71.7 Å²	71.7	1%	0.012	38%	0.375	C	S	.	.	H	α-helix	trans	-56.7	-46.1	-176.8	-170.1	-93.9	0	0	0	112.4	D635 L640 F641 Q642 L645 F708 R709 W712	D635-Y638 WeakPolarHBondContact O-CB 3.25Å; D635-Y638 PolarHBondContact O-N 3.41Å; D635-Y638 VanDerWaalsContact O-N 3.09Å; Y638-L640 PolarHBondContact O-N 2.83Å; Y638-L640 VanDerWaalsContact O-N 3.08Å; Y638-F641 AromaticContact CD2-CE1 3.84Å; Y638-F641 HydrophobicContact CD2-CE1 3.84Å; Y638-F641 HydrophobicContact CD2-CE2 4.48Å; Y638-F641 AromaticContact CD2-CZ 3.55Å; Y638-F641 HydrophobicContact CD2-CZ 3.55Å; Y638-F641 HydrophobicContact CE2-CE1 4.41Å; Y638-F641 HydrophobicContact CE2-CE2 4.27Å; Y638-F641 AromaticContact CE2-CZ 3.67Å; Y638-F641 HydrophobicContact CE2-CZ 3.67Å; Y638-F641 HydrophobicContact CG-CE1 4.36Å; Y638-F641 HydrophobicContact CG-CZ 4.38Å; Y638-F641 PolarHBondContact O-N 3.12Å; Y638-Q642 HydrophobicContact CE1-CB 4.37Å; Y638-Q642 HydrophobicContact CE1-CG 4.25Å; Y638-Q642 PolarHBondContact O-N 3.48Å; Y638-L645 WeakPolarHBondContact OH-CD2 3.5Å; Y638-F708 HydrophobicContact CE2-CD1 4.42Å; Y638-R709 HydrophobicContact CD1-CG 4.09Å; Y638-R709 HydrophobicContact CD2-CG 4.15Å; Y638-R709 HydrophobicContact CE1-CB 3.97Å; Y638-R709 HydrophobicContact CE1-CG 3.81Å; Y638-R709 HydrophobicContact CE2-CB 3.99Å; Y638-R709 HydrophobicContact CE2-CG 3.88Å; Y638-R709 HydrophobicContact CG-CG 4.25Å; Y638-R709 VanDerWaalsContact OH-CA 3.31Å; Y638-R709 WeakPolarHBondContact OH-CA 3.27Å; Y638-R709 WeakPolarHBondContact OH-CB 3.49Å; Y638-R709 PolarHBondContact OH-N 2.56Å; Y638-W712 AromaticContact CD2-CD1 3.76Å; Y638-W712 HydrophobicContact CD2-CG 4.31Å; Y638-W712 HydrophobicContact CE2-CB 4.12Å; Y638-W712 HydrophobicContact CE2-CG 4.17Å
639	E	90.9	Very high	89.5	Confident	103 Å²	103	70.9 Å²	70.9	48%	0.481	37%	0.369	S	S	.	.	H	α-helix	trans	-60.4	-23.1	-179.7	-54.7	-58.2	150	0	0	112.5	N637 Q642 R709	N637-E639 VanDerWaalsContact C-N 3.31Å; N637-E639 PolarHBondContact O-N 2.8Å; E639-Q642 PolarHBondContact OE2-OE1 2.67Å; E639-R709 IonicContact OE1-CZ 3.59Å; E639-R709 IonicContact OE1-NH1 3.81Å; E639-R709 PolarHBondContact OE1-NH1 2.77Å; E639-R709 IonicContact OE1-NH2 3.35Å; E639-R709 PolarHBondContact OE1-NH2 2.88Å
640	L	89.3	Confident	90.1	Very high	150 Å²	150	74.4 Å²	74.4	79%	0.785	37%	0.37	S	S	*	.	H	α-helix	trans	-76.9	-32.1	-175.7	-139.9	136	0	0	0	112.3	N637 Y638	N637-L640 VanDerWaalsContact O-CB 3.24Å; N637-L640 WeakPolarHBondContact O-CB 3.41Å; N637-L640 PolarHBondContact O-N 2.89Å; Y638-L640 PolarHBondContact O-N 2.83Å; Y638-L640 VanDerWaalsContact O-N 3.08Å
641	F	88.6	Confident	90.8	Very high	37 Å²	37	74.2 Å²	74.2	16%	0.162	36%	0.361	C	S	.	.	H	α-helix	trans	-106.7	-6.8	177.1	78.4	-93.7	0	0	0	113.6	Y638 P643 R644 L645 L671 F708 W712	Y638-F641 AromaticContact CD2-CE1 3.84Å; Y638-F641 HydrophobicContact CD2-CE1 3.84Å; Y638-F641 HydrophobicContact CD2-CE2 4.48Å; Y638-F641 AromaticContact CD2-CZ 3.55Å; Y638-F641 HydrophobicContact CD2-CZ 3.55Å; Y638-F641 HydrophobicContact CE2-CE1 4.41Å; Y638-F641 HydrophobicContact CE2-CE2 4.27Å; Y638-F641 AromaticContact CE2-CZ 3.67Å; Y638-F641 HydrophobicContact CE2-CZ 3.67Å; Y638-F641 HydrophobicContact CG-CE1 4.36Å; Y638-F641 HydrophobicContact CG-CZ 4.38Å; Y638-F641 PolarHBondContact O-N 3.12Å; F641-P643 VanDerWaalsContact C-CD 3.43Å; F641-P643 VanDerWaalsContact C-N 3.34Å; F641-R644 WeakPolarHBondContact O-CA 3.29Å; F641-R644 WeakPolarHBondContact O-CB 3.43Å; F641-R644 PolarHBondContact O-N 3.19Å; F641-L645 HydrophobicContact CD2-CB 4.22Å; F641-L645 HydrophobicContact CE2-CB 4.33Å; F641-L645 HydrophobicContact CE2-CD2 4.49Å; F641-L645 PolarHBondContact O-N 2.77Å; F641-L671 HydrophobicContact CD2-CD2 3.96Å; F641-L671 HydrophobicContact CE2-CD1 4.21Å; F641-L671 HydrophobicContact CE2-CD2 4.38Å; F641-F708 HydrophobicContact CE2-CE1 4.44Å; F641-W712 AromaticContact CE1-CE2 3.95Å; F641-W712 HydrophobicContact CE1-CZ2 4.3Å; F641-W712 AromaticContact CE1-NE1 3.59Å; F641-W712 AromaticContact CZ-CD1 3.82Å; F641-W712 AromaticContact CZ-CD2 3.91Å; F641-W712 HydrophobicContact CZ-CD2 3.91Å; F641-W712 AromaticContact CZ-CE2 3.56Å; F641-W712 HydrophobicContact CZ-CG 4.07Å; F641-W712 HydrophobicContact CZ-CZ2 4.06Å; F641-W712 AromaticContact CZ-NE1 3.47Å
642	Q	92	Very high	91.3	Very high	40 Å²	40	75.2 Å²	75.2	19%	0.187	37%	0.368	C	S	.	.	H	α-helix	trans	-51.3	-42.4	178	-171.9	-170.9	24	0	0	113.8	Y638 E639 R644 L645 R646 E705	Y638-Q642 HydrophobicContact CE1-CB 4.37Å; Y638-Q642 HydrophobicContact CE1-CG 4.25Å; Y638-Q642 PolarHBondContact O-N 3.48Å; E639-Q642 PolarHBondContact OE2-OE1 2.67Å; Q642-R644 VanDerWaalsContact C-N 3.26Å; Q642-R644 PolarHBondContact O-N 2.83Å; Q642-L645 WeakPolarHBondContact O-CB 3.28Å; Q642-L645 PolarHBondContact O-N 2.94Å; Q642-R646 PolarHBondContact O-N 2.8Å; Q642-E705 PolarHBondContact NE2-OE1 2.93Å
643	P	93.2	Very high	91.6	Very high	90 Å²	90	75.4 Å²	75.4	58%	0.584	37%	0.37	S	S	*	.	H	α-helix	trans	-60.8	-36.8	177.3	-24.1	34.9	0	0	0	112.8	F641 R647	F641-P643 VanDerWaalsContact C-CD 3.43Å; F641-P643 VanDerWaalsContact C-N 3.34Å; P643-R647 PolarHBondContact O-N 2.92Å
644	R	91.9	Very high	92	Very high	114 Å²	114	69.9 Å²	69.9	43%	0.43	35%	0.351	S	S	.	.	H	α-helix	trans	-71.8	-40.4	176.1	-177.1	174.9	174.6	-167.1	-8.2	111.4	F641 Q642 R646 R647 L648 C670 D674	F641-R644 WeakPolarHBondContact O-CA 3.29Å; F641-R644 WeakPolarHBondContact O-CB 3.43Å; F641-R644 PolarHBondContact O-N 3.19Å; Q642-R644 VanDerWaalsContact C-N 3.26Å; Q642-R644 PolarHBondContact O-N 2.83Å; R644-R646 VanDerWaalsContact C-N 3.34Å; R644-R646 PolarHBondContact O-N 2.59Å; R644-R647 WeakPolarHBondContact O-CB 3.28Å; R644-R647 PolarHBondContact O-N 2.95Å; R644-L648 HydrophobicContact CG-CD1 4.39Å; R644-L648 WeakPolarHBondContact O-CG 3.42Å; R644-L648 PolarHBondContact O-N 3.09Å; R644-C670 PolarHBondContact NH2-SG 3.04Å; R644-C670 VanDerWaalsContact NH2-SG 3.4Å; R644-D674 IonicContact CZ-OD2 2.73Å; R644-D674 IonicContact NH1-OD2 3.72Å; R644-D674 PolarHBondContact NH1-OD2 2.82Å; R644-D674 IonicContact NH2-OD2 3.56Å; R644-D674 PolarHBondContact NH2-OD2 2.93Å
645	L	93.5	Very high	92	Very high	0 Å²	0	74 Å²	74	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-56.3	-49	173.2	174.9	70.7	0	0	0	111.1	Y638 F641 Q642 R647 L648 F649 I667 L671 E705 F708	Y638-L645 WeakPolarHBondContact OH-CD2 3.5Å; F641-L645 HydrophobicContact CD2-CB 4.22Å; F641-L645 HydrophobicContact CE2-CB 4.33Å; F641-L645 HydrophobicContact CE2-CD2 4.49Å; F641-L645 PolarHBondContact O-N 2.77Å; Q642-L645 WeakPolarHBondContact O-CB 3.28Å; Q642-L645 PolarHBondContact O-N 2.94Å; L645-R647 VanDerWaalsContact C-N 3.28Å; L645-R647 PolarHBondContact O-N 3.45Å; L645-L648 PolarHBondContact O-N 3.25Å; L645-L648 VanDerWaalsContact O-N 3.11Å; L645-F649 HydrophobicContact CD1-CD2 3.67Å; L645-F649 HydrophobicContact CD1-CE2 3.46Å; L645-F649 VanDerWaalsContact CD1-CE2 3.46Å; L645-F649 HydrophobicContact CD1-CZ 4.45Å; L645-F649 HydrophobicContact CG-CD2 4.11Å; L645-F649 HydrophobicContact CG-CE2 4.2Å; L645-F649 PolarHBondContact O-N 2.9Å; L645-I667 HydrophobicContact CD1-CG2 4.27Å; L645-L671 HydrophobicContact CD1-CD1 3.89Å; L645-E705 HydrophobicContact CD2-CG 4.45Å; L645-F708 HydrophobicContact CD1-CD1 3.72Å; L645-F708 HydrophobicContact CD1-CD2 4.35Å; L645-F708 HydrophobicContact CD1-CE1 3.43Å; L645-F708 VanDerWaalsContact CD1-CE1 3.43Å; L645-F708 HydrophobicContact CD1-CE2 4.08Å; L645-F708 HydrophobicContact CD1-CG 4.17Å; L645-F708 HydrophobicContact CD1-CZ 3.62Å; L645-F708 HydrophobicContact CD2-CD1 3.36Å; L645-F708 HydrophobicContact CD2-CE1 3.68Å; L645-F708 HydrophobicContact CD2-CG 4.17Å; L645-F708 HydrophobicContact CG-CD1 4.17Å; L645-F708 HydrophobicContact CG-CE1 4.2Å
646	R	94.2	Very high	92.1	Very high	126 Å²	126	76.8 Å²	76.8	48%	0.475	38%	0.382	S	S	.	.	H	α-helix	trans	-56.5	-43.8	177.5	-78.5	-175.7	174	-173	-3	112.2	Q642 R644 F649 Y650 M657 E705	Q642-R646 PolarHBondContact O-N 2.8Å; R644-R646 VanDerWaalsContact C-N 3.34Å; R644-R646 PolarHBondContact O-N 2.59Å; R646-F649 PolarHBondContact O-N 2.58Å; R646-Y650 WeakPolarHBondContact O-CB 3.32Å; R646-Y650 PolarHBondContact O-N 3.42Å; R646-M657 HydrophobicContact CB-CE 4.21Å; R646-M657 HydrophobicContact CG-CE 4.19Å; R646-E705 VanDerWaalsContact CG-CD 3.5Å; R646-E705 HydrophobicContact CG-CG 4.41Å; R646-E705 WeakPolarHBondContact CG-OE1 3.39Å; R646-E705 WeakPolarHBondContact CG-OE2 3.11Å; R646-E705 IonicContact CZ-OE1 2.8Å; R646-E705 IonicContact CZ-OE2 3.42Å; R646-E705 IonicContact NE-OE1 3.12Å; R646-E705 PolarHBondContact NE-OE1 2.91Å; R646-E705 IonicContact NE-OE2 2.73Å; R646-E705 PolarHBondContact NE-OE2 2.8Å; R646-E705 IonicContact NH2-OE1 2.86Å; R646-E705 PolarHBondContact NH2-OE1 3.16Å; R646-E705 IonicContact NH2-OE2 3.5Å
647	R	94.3	Very high	92.2	Very high	172 Å²	172	73.9 Å²	73.9	65%	0.649	36%	0.36	S	S	*	.	H	α-helix	trans	-60.5	-46.5	176	-177.3	177.8	171.9	172	1.5	111.7	P643 R644 L645 F649 Y650 E651	P643-R647 PolarHBondContact O-N 2.92Å; R644-R647 WeakPolarHBondContact O-CB 3.28Å; R644-R647 PolarHBondContact O-N 2.95Å; L645-R647 VanDerWaalsContact C-N 3.28Å; L645-R647 PolarHBondContact O-N 3.45Å; R647-F649 VanDerWaalsContact C-N 3.34Å; R647-F649 PolarHBondContact O-N 3.19Å; R647-Y650 PolarHBondContact O-N 2.81Å; R647-E651 HydrophobicContact CG-CG 4.43Å; R647-E651 WeakPolarHBondContact CG-OE1 3.15Å; R647-E651 IonicContact CZ-OE1 2.6Å; R647-E651 IonicContact NE-OE1 3.67Å; R647-E651 PolarHBondContact NE-OE1 2.93Å; R647-E651 IonicContact NH2-OE1 3.73Å; R647-E651 PolarHBondContact NH2-OE1 3.21Å; R647-E651 WeakPolarHBondContact O-CB 3.23Å; R647-E651 VanDerWaalsContact O-CG 3.3Å; R647-E651 WeakPolarHBondContact O-CG 3.27Å; R647-E651 PolarHBondContact O-N 3.07Å
648	L	94.5	Very high	92.5	Very high	32 Å²	32	71.1 Å²	71.1	17%	0.168	35%	0.348	C	S	.	.	H	α-helix	trans	-62.9	-39.5	177.5	-69.3	171.5	0	0	0	112.3	R644 L645 E651 A652 I667 L671	R644-L648 HydrophobicContact CG-CD1 4.39Å; R644-L648 WeakPolarHBondContact O-CG 3.42Å; R644-L648 PolarHBondContact O-N 3.09Å; L645-L648 PolarHBondContact O-N 3.25Å; L645-L648 VanDerWaalsContact O-N 3.11Å; L648-E651 PolarHBondContact O-N 3.36Å; L648-A652 WeakPolarHBondContact O-CB 3.34Å; L648-A652 PolarHBondContact O-N 2.98Å; L648-I667 HydrophobicContact CB-CD1 4.42Å; L648-I667 HydrophobicContact CB-CG1 4.21Å; L648-I667 HydrophobicContact CB-CG2 4.22Å; L648-I667 HydrophobicContact CD1-CG2 4.18Å; L648-L671 HydrophobicContact CD1-CD2 4.2Å; L648-L671 HydrophobicContact CD1-CG 4.41Å
649	F	95.3	Very high	92.8	Very high	0 Å²	0	71 Å²	71	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-64.6	-42.8	175.9	-94.3	-124.3	0	0	0	112.2	L645 R646 R647 A652 S653 M657 V659 I667 E705 F708	L645-F649 HydrophobicContact CD1-CD2 3.67Å; L645-F649 HydrophobicContact CD1-CE2 3.46Å; L645-F649 VanDerWaalsContact CD1-CE2 3.46Å; L645-F649 HydrophobicContact CD1-CZ 4.45Å; L645-F649 HydrophobicContact CG-CD2 4.11Å; L645-F649 HydrophobicContact CG-CE2 4.2Å; L645-F649 PolarHBondContact O-N 2.9Å; R646-F649 PolarHBondContact O-N 2.58Å; R647-F649 VanDerWaalsContact C-N 3.34Å; R647-F649 PolarHBondContact O-N 3.19Å; F649-A652 PolarHBondContact O-N 3.11Å; F649-S653 PolarHBondContact O-N 2.59Å; F649-S653 PolarHBondContact O-OG 3.47Å; F649-M657 HydrophobicContact CB-CE 3.84Å; F649-M657 HydrophobicContact CB-SD 4.1Å; F649-V659 HydrophobicContact CD1-CG1 3.94Å; F649-V659 HydrophobicContact CD1-CG2 4.35Å; F649-V659 HydrophobicContact CD2-CG1 4.35Å; F649-V659 HydrophobicContact CE1-CB 4.48Å; F649-V659 HydrophobicContact CE1-CG1 4.1Å; F649-V659 HydrophobicContact CE1-CG2 3.66Å; F649-V659 HydrophobicContact CE2-CG1 4.48Å; F649-V659 HydrophobicContact CE2-CG2 4.07Å; F649-V659 HydrophobicContact CG-CG1 4.06Å; F649-V659 HydrophobicContact CZ-CG1 4.36Å; F649-V659 HydrophobicContact CZ-CG2 3.49Å; F649-V659 VanDerWaalsContact CZ-CG2 3.49Å; F649-I667 HydrophobicContact CD2-CD1 4.03Å; F649-I667 HydrophobicContact CD2-CG2 4.5Å; F649-I667 HydrophobicContact CE2-CD1 4.21Å; F649-I667 HydrophobicContact CE2-CG2 4.25Å; F649-E705 HydrophobicContact CD1-CB 4.43Å; F649-F708 HydrophobicContact CE1-CB 4.45Å; F649-F708 AromaticContact CE2-CD2 3.8Å; F649-F708 HydrophobicContact CE2-CD2 3.8Å; F649-F708 HydrophobicContact CE2-CE2 4.17Å; F649-F708 HydrophobicContact CE2-CG 4.17Å; F649-F708 HydrophobicContact CZ-CB 3.84Å; F649-F708 AromaticContact CZ-CD2 3.56Å; F649-F708 HydrophobicContact CZ-CD2 3.56Å; F649-F708 HydrophobicContact CZ-CE2 4.36Å; F649-F708 AromaticContact CZ-CG 3.84Å; F649-F708 HydrophobicContact CZ-CG 3.84Å
650	Y	95.2	Very high	93	Very high	132 Å²	132	68.2 Å²	68.2	52%	0.518	34%	0.336	S	S	.	.	H	α-helix	trans	-67	-42.8	176.8	-173.2	-96.6	0	0	0	111.6	R646 R647 A652 G654 E655 M657	R646-Y650 WeakPolarHBondContact O-CB 3.32Å; R646-Y650 PolarHBondContact O-N 3.42Å; R647-Y650 PolarHBondContact O-N 2.81Å; Y650-A652 VanDerWaalsContact C-N 3.25Å; Y650-A652 PolarHBondContact O-N 2.99Å; Y650-G654 WeakPolarHBondContact CD2-O 3.29Å; Y650-G654 WeakPolarHBondContact O-CA 3.45Å; Y650-G654 PolarHBondContact O-N 3.35Å; Y650-E655 HydrophobicContact CE2-CG 4.31Å; Y650-M657 HydrophobicContact CD2-SD 4.18Å
651	E	95.4	Very high	93.2	Very high	116 Å²	116	61.4 Å²	61.4	54%	0.542	30%	0.301	S	S	.	.	H	α-helix	trans	-62	-34	175.7	-74.8	171.9	-178.7	0	0	111.9	R647 L648	R647-E651 HydrophobicContact CG-CG 4.43Å; R647-E651 WeakPolarHBondContact CG-OE1 3.15Å; R647-E651 IonicContact CZ-OE1 2.6Å; R647-E651 IonicContact NE-OE1 3.67Å; R647-E651 PolarHBondContact NE-OE1 2.93Å; R647-E651 IonicContact NH2-OE1 3.73Å; R647-E651 PolarHBondContact NH2-OE1 3.21Å; R647-E651 WeakPolarHBondContact O-CB 3.23Å; R647-E651 VanDerWaalsContact O-CG 3.3Å; R647-E651 WeakPolarHBondContact O-CG 3.27Å; R647-E651 PolarHBondContact O-N 3.07Å; L648-E651 PolarHBondContact O-N 3.36Å
652	A	93.7	Very high	93.6	Very high	36 Å²	36	65.6 Å²	65.6	30%	0.298	32%	0.32	S	S	.	.	H	α-helix	trans	-82.7	-39.2	-180	0	0	0	0	0	114.2	L648 F649 Y650 V659 Q663 I667	L648-A652 WeakPolarHBondContact O-CB 3.34Å; L648-A652 PolarHBondContact O-N 2.98Å; F649-A652 PolarHBondContact O-N 3.11Å; Y650-A652 VanDerWaalsContact C-N 3.25Å; Y650-A652 PolarHBondContact O-N 2.99Å; A652-V659 HydrophobicContact CB-CG1 4.1Å; A652-Q663 HydrophobicContact CB-CB 4.18Å; A652-Q663 HydrophobicContact CB-CG 4.38Å; A652-Q663 PolarHBondContact O-NE2 2.9Å; A652-I667 HydrophobicContact CB-CD1 3.93Å
653	S	93.7	Very high	93.8	Very high	20 Å²	20	66.2 Å²	66.2	14%	0.14	32%	0.322	C	S	.	.	H	α-helix	trans	-127.8	1.7	-167.1	70.8	0	0	0	0	115.4	F649 S656 M657 A658	F649-S653 PolarHBondContact O-N 2.59Å; F649-S653 PolarHBondContact O-OG 3.47Å; S653-S656 WeakPolarHBondContact CB-OG 3.35Å; S653-S656 PolarHBondContact O-OG 3.46Å; S653-M657 WeakPolarHBondContact OG-CA 3.42Å; S653-M657 PolarHBondContact OG-N 2.66Å; S653-A658 WeakPolarHBondContact CB-O 3.27Å; S653-A658 PolarHBondContact OG-N 3.45Å
654	G	92.3	Very high	93.8	Very high	27 Å²	27	61.9 Å²	61.9	28%	0.278	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	60.7	-141.9	-176.6	0	0	0	0	0	112.7	Y650 S656 M657	Y650-G654 WeakPolarHBondContact CD2-O 3.29Å; Y650-G654 WeakPolarHBondContact O-CA 3.45Å; Y650-G654 PolarHBondContact O-N 3.35Å; G654-S656 PolarHBondContact O-N 2.78Å; G654-M657 PolarHBondContact O-N 2.86Å
655	E	90.4	Very high	94	Very high	173 Å²	173	59 Å²	59	81%	0.808	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-63.9	-20.2	-176.8	-66.3	-169.9	168.4	0	0	114.3	Y650 M657	Y650-E655 HydrophobicContact CE2-CG 4.31Å; E655-M657 PolarHBondContact O-N 2.99Å
656	S	89.5	Confident	94	Very high	61 Å²	61	62.5 Å²	62.5	43%	0.427	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-64.6	-27.1	179.7	69.4	0	0	0	0	113.3	S653 G654 A658	S653-S656 WeakPolarHBondContact CB-OG 3.35Å; S653-S656 PolarHBondContact O-OG 3.46Å; G654-S656 PolarHBondContact O-N 2.78Å; S656-A658 PolarHBondContact O-N 3.35Å
657	M	92.2	Very high	93.9	Very high	44 Å²	44	56.9 Å²	56.9	22%	0.217	29%	0.288	C	S	.	.			trans	48.2	32.7	-177.3	-65.7	-68.4	-68.6	0	0	113.1	R646 F649 Y650 S653 G654 E655	R646-M657 HydrophobicContact CB-CE 4.21Å; R646-M657 HydrophobicContact CG-CE 4.19Å; F649-M657 HydrophobicContact CB-CE 3.84Å; F649-M657 HydrophobicContact CB-SD 4.1Å; Y650-M657 HydrophobicContact CD2-SD 4.18Å; S653-M657 WeakPolarHBondContact OG-CA 3.42Å; S653-M657 PolarHBondContact OG-N 2.66Å; G654-M657 PolarHBondContact O-N 2.86Å; E655-M657 PolarHBondContact O-N 2.99Å
658	A	93.1	Very high	93.8	Very high	18 Å²	18	48.7 Å²	48.7	15%	0.149	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	113.4	-175.8	0	0	0	0	0	109.2	S653 S656 R702 L703	S653-A658 WeakPolarHBondContact CB-O 3.27Å; S653-A658 PolarHBondContact OG-N 3.45Å; S656-A658 PolarHBondContact O-N 3.35Å; A658-R702 HydrophobicContact CB-CB 4.21Å; A658-L703 WeakPolarHBondContact CA-O 3.49Å
659	V	94.9	Very high	93.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	137.6	-171	-63.1	0	0	0	0	111.3	F649 A652 Q663 L664 I667 R702 L703	F649-V659 HydrophobicContact CD1-CG1 3.94Å; F649-V659 HydrophobicContact CD1-CG2 4.35Å; F649-V659 HydrophobicContact CD2-CG1 4.35Å; F649-V659 HydrophobicContact CE1-CB 4.48Å; F649-V659 HydrophobicContact CE1-CG1 4.1Å; F649-V659 HydrophobicContact CE1-CG2 3.66Å; F649-V659 HydrophobicContact CE2-CG1 4.48Å; F649-V659 HydrophobicContact CE2-CG2 4.07Å; F649-V659 HydrophobicContact CG-CG1 4.06Å; F649-V659 HydrophobicContact CZ-CG1 4.36Å; F649-V659 HydrophobicContact CZ-CG2 3.49Å; F649-V659 VanDerWaalsContact CZ-CG2 3.49Å; A652-V659 HydrophobicContact CB-CG1 4.1Å; V659-Q663 HydrophobicContact CB-CB 3.92Å; V659-Q663 HydrophobicContact CG1-CB 4.3Å; V659-L664 HydrophobicContact CG2-CB 4.22Å; V659-L664 HydrophobicContact CG2-CD1 4.03Å; V659-I667 HydrophobicContact CG1-CD1 4.04Å; V659-R702 CarbonylContact O-C 3.6Å; V659-R702 WeakPolarHBondContact O-CA 3.39Å; V659-L703 HydrophobicContact CG2-CB 4.47Å; V659-L703 PolarHBondContact N-O 3.03Å; V659-L703 PolarHBondContact O-N 2.97Å
660	D	94.8	Very high	93.2	Very high	44 Å²	44	49.1 Å²	49.1	24%	0.235	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	177.9	168.8	69.6	33	0	0	0	111.8	F662 Q663 L664 R702	D660-F662 VanDerWaalsContact C-N 3.3Å; D660-F662 PolarHBondContact O-N 3.16Å; D660-F662 WeakPolarHBondContact OD1-CA 3.37Å; D660-F662 WeakPolarHBondContact OD1-CB 3.36Å; D660-F662 PolarHBondContact OD1-N 3.2Å; D660-Q663 PolarHBondContact O-N 3.33Å; D660-Q663 WeakPolarHBondContact OD1-CG 3.43Å; D660-Q663 PolarHBondContact OD1-N 3.28Å; D660-L664 WeakPolarHBondContact O-CB 3.25Å; D660-L664 PolarHBondContact O-N 3.42Å; D660-R702 HydrophobicContact CB-CG 4.41Å
661	A	94.8	Very high	92.9	Very high	7 Å²	7	43.3 Å²	43.3	6%	0.058	24%	0.24	C	C	.	.	H	α-helix	trans	-63.3	-31.2	-178.5	0	0	0	0	0	114.5	E665 C688 R689 V692	A661-E665 PolarHBondContact O-N 3.45Å; A661-C688 HydrophobicContact CB-CB 4.18Å; A661-C688 WeakPolarHBondContact O-CB 3.41Å; A661-R689 HydrophobicContact CB-CB 4.13Å; A661-R689 HydrophobicContact CB-CG 3.36Å; A661-V692 HydrophobicContact CB-CG2 4.42Å
662	F	95.9	Very high	92.3	Very high	125 Å²	125	38 Å²	38	55%	0.548	22%	0.215	S	C	.	.	H	α-helix	trans	-75.3	-34.4	-179.8	-59.6	-87.5	0	0	0	111.2	D660 P666 T685	D660-F662 VanDerWaalsContact C-N 3.3Å; D660-F662 PolarHBondContact O-N 3.16Å; D660-F662 WeakPolarHBondContact OD1-CA 3.37Å; D660-F662 WeakPolarHBondContact OD1-CB 3.36Å; D660-F662 PolarHBondContact OD1-N 3.2Å; F662-P666 WeakPolarHBondContact O-CD 3.47Å; F662-T685 HydrophobicContact CD1-CG2 3.58Å; F662-T685 HydrophobicContact CE1-CG2 3.92Å; F662-T685 HydrophobicContact CG-CG2 4.17Å
663	Q	96	Very high	91.8	Very high	53 Å²	53	43.7 Å²	43.7	25%	0.248	23%	0.229	C	C	.	.	H	α-helix	trans	-74.8	-35.9	172.6	-69.4	169	-27	0	0	111.8	A652 V659 D660 P666 I667	A652-Q663 HydrophobicContact CB-CB 4.18Å; A652-Q663 HydrophobicContact CB-CG 4.38Å; A652-Q663 PolarHBondContact O-NE2 2.9Å; V659-Q663 HydrophobicContact CB-CB 3.92Å; V659-Q663 HydrophobicContact CG1-CB 4.3Å; D660-Q663 PolarHBondContact O-N 3.33Å; D660-Q663 WeakPolarHBondContact OD1-CG 3.43Å; D660-Q663 PolarHBondContact OD1-N 3.28Å; Q663-P666 VanDerWaalsContact O-CD 3.32Å; Q663-P666 WeakPolarHBondContact O-CD 3.44Å; Q663-P666 WeakPolarHBondContact O-CG 3.35Å; Q663-I667 WeakPolarHBondContact O-CD1 3.34Å; Q663-I667 VanDerWaalsContact O-CG1 3.3Å; Q663-I667 WeakPolarHBondContact O-CG1 3.36Å
664	L	94.7	Very high	91.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-67.9	-36.8	-178.9	-176.1	63.2	0	0	0	112.7	V659 D660 I667 L668 C688 V692 L703 F708	V659-L664 HydrophobicContact CG2-CB 4.22Å; V659-L664 HydrophobicContact CG2-CD1 4.03Å; D660-L664 WeakPolarHBondContact O-CB 3.25Å; D660-L664 PolarHBondContact O-N 3.42Å; L664-I667 PolarHBondContact O-N 3.26Å; L664-L668 HydrophobicContact CD1-CD1 4.12Å; L664-L668 HydrophobicContact CD1-CG 3.95Å; L664-L668 HydrophobicContact CD2-CD1 4.05Å; L664-L668 HydrophobicContact CG-CD1 3.73Å; L664-L668 HydrophobicContact CG-CG 4.02Å; L664-L668 PolarHBondContact O-N 3.37Å; L664-C688 HydrophobicContact CB-CB 4.44Å; L664-C688 HydrophobicContact CD2-CB 4.23Å; L664-C688 HydrophobicContact CG-CB 4.46Å; L664-V692 HydrophobicContact CD2-CG2 3.68Å; L664-L703 HydrophobicContact CD1-CD2 4.37Å; L664-L703 HydrophobicContact CD2-CD2 4.19Å; L664-F708 HydrophobicContact CD1-CD2 3.85Å; L664-F708 HydrophobicContact CD1-CE2 3.68Å
665	E	94.8	Very high	90.3	Very high	54 Å²	54	46 Å²	46	25%	0.252	23%	0.233	S	C	.	.	H	α-helix	trans	-54.2	-57.5	-178.9	-177.8	-162.2	147.7	0	0	113.9	A661 I667 L668 N669 T685 C688	A661-E665 PolarHBondContact O-N 3.45Å; E665-I667 PolarHBondContact O-N 2.95Å; E665-L668 PolarHBondContact O-N 2.96Å; E665-N669 WeakPolarHBondContact CG-ND2 3.22Å; E665-N669 WeakPolarHBondContact O-CB 3.39Å; E665-N669 VanDerWaalsContact O-CG 3.29Å; E665-N669 PolarHBondContact O-N 3.25Å; E665-N669 PolarHBondContact O-ND2 3.37Å; E665-T685 WeakPolarHBondContact OE2-CA 3.4Å; E665-T685 VanDerWaalsContact OE2-CB 3.32Å; E665-T685 WeakPolarHBondContact OE2-CB 3.21Å; E665-T685 PolarHBondContact OE2-N 2.77Å; E665-T685 PolarHBondContact OE2-OG1 3.13Å; E665-C688 VanDerWaalsContact CA-SG 3.55Å
666	P	93.3	Very high	89.4	Confident	73 Å²	73	46.3 Å²	46.3	47%	0.474	23%	0.234	S	C	.	.	H	α-helix	trans	-63.6	-32.4	179.6	24.5	-34.1	0	0	0	112.2	F662 Q663 C670	F662-P666 WeakPolarHBondContact O-CD 3.47Å; Q663-P666 VanDerWaalsContact O-CD 3.32Å; Q663-P666 WeakPolarHBondContact O-CD 3.44Å; Q663-P666 WeakPolarHBondContact O-CG 3.35Å; P666-C670 WeakPolarHBondContact O-CB 3.29Å; P666-C670 PolarHBondContact O-N 3.34Å
667	I	93.2	Very high	88.5	Confident	7 Å²	7	47.8 Å²	47.8	4%	0.036	23%	0.231	C	C	.	.	H	α-helix	trans	-64.7	-53.1	176.6	-63	173.9	0	0	0	110.1	L645 L648 F649 A652 V659 Q663 L664 E665 N669 C670 L671	L645-I667 HydrophobicContact CD1-CG2 4.27Å; L648-I667 HydrophobicContact CB-CD1 4.42Å; L648-I667 HydrophobicContact CB-CG1 4.21Å; L648-I667 HydrophobicContact CB-CG2 4.22Å; L648-I667 HydrophobicContact CD1-CG2 4.18Å; F649-I667 HydrophobicContact CD2-CD1 4.03Å; F649-I667 HydrophobicContact CD2-CG2 4.5Å; F649-I667 HydrophobicContact CE2-CD1 4.21Å; F649-I667 HydrophobicContact CE2-CG2 4.25Å; A652-I667 HydrophobicContact CB-CD1 3.93Å; V659-I667 HydrophobicContact CG1-CD1 4.04Å; Q663-I667 WeakPolarHBondContact O-CD1 3.34Å; Q663-I667 VanDerWaalsContact O-CG1 3.3Å; Q663-I667 WeakPolarHBondContact O-CG1 3.36Å; L664-I667 PolarHBondContact O-N 3.26Å; E665-I667 PolarHBondContact O-N 2.95Å; I667-N669 PolarHBondContact O-N 3.02Å; I667-C670 WeakPolarHBondContact O-CB 3.28Å; I667-C670 PolarHBondContact O-N 3.02Å; I667-L671 HydrophobicContact CG2-CD1 3.99Å; I667-L671 WeakPolarHBondContact O-CG 3.31Å; I667-L671 PolarHBondContact O-N 2.68Å
668	L	90.9	Very high	87.4	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.7	-45.8	178.5	-80	176.8	0	0	0	111.6	L664 E665 C670 L671 L672 L691 F708 W712 L715	L664-L668 HydrophobicContact CD1-CD1 4.12Å; L664-L668 HydrophobicContact CD1-CG 3.95Å; L664-L668 HydrophobicContact CD2-CD1 4.05Å; L664-L668 HydrophobicContact CG-CD1 3.73Å; L664-L668 HydrophobicContact CG-CG 4.02Å; L664-L668 PolarHBondContact O-N 3.37Å; E665-L668 PolarHBondContact O-N 2.96Å; L668-C670 PolarHBondContact O-N 2.94Å; L668-L671 PolarHBondContact O-N 3.33Å; L668-L672 WeakPolarHBondContact O-CB 3.08Å; L668-L672 VanDerWaalsContact O-CG 3.31Å; L668-L672 WeakPolarHBondContact O-CG 3.38Å; L668-L672 PolarHBondContact O-N 3.31Å; L668-L691 HydrophobicContact CD1-CD1 3.89Å; L668-F708 HydrophobicContact CD2-CE2 3.79Å; L668-F708 HydrophobicContact CD2-CZ 3.86Å; L668-F708 HydrophobicContact CG-CE2 4.37Å; L668-W712 HydrophobicContact CD2-CE3 4.07Å; L668-W712 HydrophobicContact CD2-CZ3 4.03Å; L668-L715 HydrophobicContact CD1-CD2 4.42Å; L668-L715 HydrophobicContact CD2-CD2 3.85Å
669	N	89.8	Confident	86.2	Confident	7 Å²	7	47.1 Å²	47.1	4%	0.037	23%	0.229	C	C	.	.	H	α-helix	trans	-67.2	-25.8	179.8	-69.3	-21.4	0	0	0	112.6	E665 I667 R673 S681 M682 V683	E665-N669 WeakPolarHBondContact CG-ND2 3.22Å; E665-N669 WeakPolarHBondContact O-CB 3.39Å; E665-N669 VanDerWaalsContact O-CG 3.29Å; E665-N669 PolarHBondContact O-N 3.25Å; E665-N669 PolarHBondContact O-ND2 3.37Å; I667-N669 PolarHBondContact O-N 3.02Å; N669-R673 WeakPolarHBondContact O-CB 2.98Å; N669-R673 WeakPolarHBondContact O-CG 3.4Å; N669-R673 PolarHBondContact O-N 2.88Å; N669-R673 PolarHBondContact O-NE 3.1Å; N669-S681 PolarHBondContact OD1-O 3.48Å; N669-M682 VanDerWaalsContact OD1-CA 3.31Å; N669-M682 WeakPolarHBondContact OD1-CA 3.15Å; N669-V683 PolarHBondContact ND2-O 2.93Å; N669-V683 VanDerWaalsContact ND2-O 3.1Å; N669-V683 PolarHBondContact OD1-N 3.27Å
670	C	88.9	Confident	85.2	Confident	35 Å²	35	47.8 Å²	47.8	24%	0.236	23%	0.232	C	C	.	.	H	α-helix	trans	-70.5	-50.2	170.4	-175.3	0	0	0	0	110.6	R644 P666 I667 L668 R673 D674	R644-C670 PolarHBondContact NH2-SG 3.04Å; R644-C670 VanDerWaalsContact NH2-SG 3.4Å; P666-C670 WeakPolarHBondContact O-CB 3.29Å; P666-C670 PolarHBondContact O-N 3.34Å; I667-C670 WeakPolarHBondContact O-CB 3.28Å; I667-C670 PolarHBondContact O-N 3.02Å; L668-C670 PolarHBondContact O-N 2.94Å; C670-R673 PolarHBondContact O-N 2.83Å; C670-D674 PolarHBondContact O-N 2.84Å
671	L	87.7	Confident	83.8	Confident	9 Å²	9	48.2 Å²	48.2	5%	0.047	24%	0.238	C	C	.	.	H	α-helix	trans	-66.6	-40.3	-178	-65	171.6	0	0	0	112.9	F641 L645 L648 I667 L668 D674 D675 F708 W712	F641-L671 HydrophobicContact CD2-CD2 3.96Å; F641-L671 HydrophobicContact CE2-CD1 4.21Å; F641-L671 HydrophobicContact CE2-CD2 4.38Å; L645-L671 HydrophobicContact CD1-CD1 3.89Å; L648-L671 HydrophobicContact CD1-CD2 4.2Å; L648-L671 HydrophobicContact CD1-CG 4.41Å; I667-L671 HydrophobicContact CG2-CD1 3.99Å; I667-L671 WeakPolarHBondContact O-CG 3.31Å; I667-L671 PolarHBondContact O-N 2.68Å; L668-L671 PolarHBondContact O-N 3.33Å; L671-D674 PolarHBondContact O-N 3.03Å; L671-D675 PolarHBondContact O-N 2.84Å; L671-F708 HydrophobicContact CD1-CE1 4.26Å; L671-F708 HydrophobicContact CD1-CZ 3.74Å; L671-W712 HydrophobicContact CB-CH2 3.7Å; L671-W712 HydrophobicContact CB-CZ3 3.79Å; L671-W712 HydrophobicContact CD1-CZ3 4.23Å
672	L	84	Confident	83.2	Confident	6 Å²	6	53.6 Å²	53.6	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-68.1	-33.9	179	-73.2	169.9	0	0	0	113	L668 D674 D675 A678 V683 W712 L715	L668-L672 WeakPolarHBondContact O-CB 3.08Å; L668-L672 VanDerWaalsContact O-CG 3.31Å; L668-L672 WeakPolarHBondContact O-CG 3.38Å; L668-L672 PolarHBondContact O-N 3.31Å; L672-D674 PolarHBondContact O-N 3.37Å; L672-D675 PolarHBondContact O-N 3.06Å; L672-A678 HydrophobicContact CD2-CB 3.86Å; L672-V683 HydrophobicContact CD1-CG2 3.4Å; L672-W712 HydrophobicContact CD2-CH2 4.21Å; L672-W712 HydrophobicContact CD2-CZ3 4.37Å; L672-W712 HydrophobicContact CG-CZ3 4.47Å; L672-L715 HydrophobicContact CD1-CD2 4.35Å; L672-L715 HydrophobicContact CD2-CD2 4.44Å
673	R	82.3	Confident	82.8	Confident	154 Å²	154	47.8 Å²	47.8	58%	0.581	24%	0.239	S	C	*	.	H	α-helix	trans	-63.2	-35.2	174.7	-86.6	-176.3	-88.1	-147.6	-1.3	112.4	N669 C670 S681	N669-R673 WeakPolarHBondContact O-CB 2.98Å; N669-R673 WeakPolarHBondContact O-CG 3.4Å; N669-R673 PolarHBondContact O-N 2.88Å; N669-R673 PolarHBondContact O-NE 3.1Å; C670-R673 PolarHBondContact O-N 2.83Å; R673-S681 VanDerWaalsContact CG-CB 3.48Å
674	D	79.8	Confident	82.6	Confident	77 Å²	77	47.3 Å²	47.3	41%	0.412	24%	0.241	S	C	.	.	H	α-helix	trans	-84	-25.8	-178.8	-67.1	-9.8	0	0	0	112	R644 C670 L671 L672 H676	R644-D674 IonicContact CZ-OD2 2.73Å; R644-D674 IonicContact NH1-OD2 3.72Å; R644-D674 PolarHBondContact NH1-OD2 2.82Å; R644-D674 IonicContact NH2-OD2 3.56Å; R644-D674 PolarHBondContact NH2-OD2 2.93Å; C670-D674 PolarHBondContact O-N 2.84Å; L671-D674 PolarHBondContact O-N 3.03Å; L672-D674 PolarHBondContact O-N 3.37Å; D674-H676 PolarHBondContact O-N 2.78Å
675	D	75.9	Confident	82.6	Confident	18 Å²	18	49.1 Å²	49.1	10%	0.096	25%	0.252	C	S	.	.			trans	-76.6	94.5	175.4	-165	-10.4	0	0	0	110.9	L671 L672 R677 A678	L671-D675 PolarHBondContact O-N 2.84Å; L672-D675 PolarHBondContact O-N 3.06Å; D675-R677 PolarHBondContact O-N 3.4Å; D675-R677 WeakPolarHBondContact OD1-CA 3.16Å; D675-R677 WeakPolarHBondContact OD1-CB 3.32Å; D675-R677 VanDerWaalsContact OD1-CG 3.27Å; D675-R677 WeakPolarHBondContact OD1-CG 3.4Å; D675-R677 IonicContact OD1-CZ 3.41Å; D675-R677 PolarHBondContact OD1-N 3.35Å; D675-R677 IonicContact OD1-NE 3.53Å; D675-R677 PolarHBondContact OD1-NE 2.86Å; D675-R677 IonicContact OD1-NH2 3.68Å; D675-R677 IonicContact OD2-CZ 3.86Å; D675-R677 IonicContact OD2-NE 3.45Å; D675-R677 PolarHBondContact OD2-NE 2.85Å; D675-R677 IonicContact OD2-NH2 3.29Å; D675-R677 PolarHBondContact OD2-NH2 2.96Å; D675-A678 HydrophobicContact CB-CB 4.26Å; D675-A678 PolarHBondContact O-N 2.94Å
676	H	71	Confident	82.5	Confident	181 Å²	181	51 Å²	51	84%	0.838	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-14.1	174.7	-52.7	-43.7	0	0	0	114.1	D674	D674-H676 PolarHBondContact O-N 2.78Å
677	R	71.4	Confident	82.5	Confident	92 Å²	92	47.5 Å²	47.5	35%	0.347	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-13.1	176.3	-49.1	167.1	-62.9	175.9	9.8	112	D635 N637 D675 R716	D635-R677 IonicContact OD1-CZ 2.7Å; D635-R677 IonicContact OD1-NH1 3.31Å; D635-R677 PolarHBondContact OD1-NH1 2.93Å; D635-R677 IonicContact OD1-NH2 3.2Å; D635-R677 PolarHBondContact OD1-NH2 2.65Å; D635-R677 IonicContact OD2-CZ 2.85Å; D635-R677 IonicContact OD2-NH1 3.44Å; D635-R677 IonicContact OD2-NH2 3.57Å; D635-R677 PolarHBondContact OD2-NH2 3.46Å; N637-R677 PolarHBondContact ND2-NH1 3.31Å; D675-R677 PolarHBondContact O-N 3.4Å; D675-R677 WeakPolarHBondContact OD1-CA 3.16Å; D675-R677 WeakPolarHBondContact OD1-CB 3.32Å; D675-R677 VanDerWaalsContact OD1-CG 3.27Å; D675-R677 WeakPolarHBondContact OD1-CG 3.4Å; D675-R677 IonicContact OD1-CZ 3.41Å; D675-R677 PolarHBondContact OD1-N 3.35Å; D675-R677 IonicContact OD1-NE 3.53Å; D675-R677 PolarHBondContact OD1-NE 2.86Å; D675-R677 IonicContact OD1-NH2 3.68Å; D675-R677 IonicContact OD2-CZ 3.86Å; D675-R677 IonicContact OD2-NE 3.45Å; D675-R677 PolarHBondContact OD2-NE 2.85Å; D675-R677 IonicContact OD2-NH2 3.29Å; D675-R677 PolarHBondContact OD2-NH2 2.96Å; R677-R716 VanDerWaalsContact CZ-CZ 3.49Å
678	A	68.9	Low	82.6	Confident	14 Å²	14	47.2 Å²	47.2	12%	0.116	24%	0.24	C	C	.	.			trans	-107.1	107.7	176.1	0	0	0	0	0	109.6	L672 D675 Y680	L672-A678 HydrophobicContact CD2-CB 3.86Å; D675-A678 HydrophobicContact CB-CB 4.26Å; D675-A678 PolarHBondContact O-N 2.94Å; A678-Y680 PolarHBondContact O-N 3.46Å
679	P	66.6	Low	82.7	Confident	34 Å²	34	52.8 Å²	52.8	22%	0.221	26%	0.261	C	S	.	.			trans	-73.8	-10.4	-175.7	25.8	-30	0	0	0	113.9	A723 R729	P679-A723 HydrophobicContact CG-CB 3.6Å; P679-R729 HydrophobicContact CB-CG 4.34Å
680	Y	73.9	Confident	82.9	Confident	13 Å²	13	54 Å²	54	5%	0.051	27%	0.27	C	S	.	.			trans	-110.5	126.4	-177.2	-50.2	-66.9	0	0	0	110.2	A678 F722 A723 D726 A731 Y770	A678-Y680 PolarHBondContact O-N 3.46Å; Y680-F722 HydrophobicContact CD2-CD1 4.29Å; Y680-F722 HydrophobicContact CE1-CD1 4.37Å; Y680-F722 HydrophobicContact CE1-CE1 4.18Å; Y680-F722 AromaticContact CE2-CD1 3.43Å; Y680-F722 HydrophobicContact CE2-CD1 3.43Å; Y680-F722 VanDerWaalsContact CE2-CD1 3.43Å; Y680-F722 HydrophobicContact CE2-CE1 4.05Å; Y680-F722 HydrophobicContact CE2-CG 4.38Å; Y680-F722 AromaticContact CZ-CD1 3.5Å; Y680-F722 AromaticContact CZ-CE1 3.72Å; Y680-F722 WeakPolarHBondContact OH-CD1 3.42Å; Y680-A723 HydrophobicContact CE2-CB 4.03Å; Y680-D726 WeakPolarHBondContact OH-CB 3.32Å; Y680-D726 PolarHBondContact OH-OD2 3.25Å; Y680-D726 VanDerWaalsContact OH-OD2 3.1Å; Y680-A731 HydrophobicContact CD1-CB 4.39Å; Y680-A731 HydrophobicContact CE1-CB 4.49Å; Y680-Y770 AromaticContact CD2-CD2 3.79Å; Y680-Y770 HydrophobicContact CD2-CD2 3.79Å; Y680-Y770 AromaticContact CD2-CE2 3.79Å; Y680-Y770 HydrophobicContact CD2-CE2 3.79Å; Y680-Y770 HydrophobicContact CD2-CG 4.2Å; Y680-Y770 HydrophobicContact CE2-CD2 4.29Å; Y680-Y770 HydrophobicContact CE2-CE2 4.48Å; Y680-Y770 HydrophobicContact CG-CD1 4.27Å; Y680-Y770 HydrophobicContact CG-CD2 4.17Å; Y680-Y770 HydrophobicContact CG-CE1 4.46Å; Y680-Y770 HydrophobicContact CG-CE2 4.38Å; Y680-Y770 HydrophobicContact CG-CG 4.11Å
681	S	65.7	Low	83.1	Confident	54 Å²	54	52.4 Å²	52.4	38%	0.378	26%	0.259	S	S	.	.			trans	-98.3	-2.8	-172.8	52.8	0	0	0	0	114.5	N669 R673	N669-S681 PolarHBondContact OD1-O 3.48Å; R673-S681 VanDerWaalsContact CG-CB 3.48Å
682	M	81.9	Confident	83.4	Confident	120 Å²	120	52.2 Å²	52.2	59%	0.591	26%	0.258	S	S	*	.			trans	-136.3	123.9	-169.2	-65.5	-170.6	68.7	0	0	113	N669	N669-M682 VanDerWaalsContact OD1-CA 3.31Å; N669-M682 WeakPolarHBondContact OD1-CA 3.15Å
683	V	87.1	Confident	83.8	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.018	27%	0.268	C	S	.	.			trans	-115.2	135.4	167.5	-168.2	0	0	0	0	106.4	N669 L672 A687 L691 Y770	N669-V683 PolarHBondContact ND2-O 2.93Å; N669-V683 VanDerWaalsContact ND2-O 3.1Å; N669-V683 PolarHBondContact OD1-N 3.27Å; L672-V683 HydrophobicContact CD1-CG2 3.4Å; V683-A687 HydrophobicContact CG1-CB 3.44Å; V683-A687 VanDerWaalsContact CG1-CB 3.44Å; V683-L691 HydrophobicContact CG1-CD1 4.49Å; V683-Y770 HydrophobicContact CG2-CE1 4.33Å
684	S	92.7	Very high	84.1	Confident	43 Å²	43	46.6 Å²	46.6	30%	0.301	24%	0.243	S	C	.	.			trans	-77.4	162.2	178.4	66.2	0	0	0	0	111.5	D686 A687 C688	S684-D686 PolarHBondContact O-N 3.2Å; S684-A687 PolarHBondContact O-N 2.88Å; S684-A687 WeakPolarHBondContact OG-CB 3.47Å; S684-A687 PolarHBondContact OG-N 2.79Å; S684-A687 VanDerWaalsContact OG-N 3.15Å; S684-C688 PolarHBondContact O-N 2.97Å; S684-C688 PolarHBondContact O-SG 2.92Å
685	T	94.7	Very high	84.4	Confident	38 Å²	38	44.2 Å²	44.2	23%	0.233	23%	0.23	C	C	.	.	H	α-helix	trans	-54.7	-40.7	171.9	-32.9	0	0	0	0	111.7	F662 E665 C688 R689	F662-T685 HydrophobicContact CD1-CG2 3.58Å; F662-T685 HydrophobicContact CE1-CG2 3.92Å; F662-T685 HydrophobicContact CG-CG2 4.17Å; E665-T685 WeakPolarHBondContact OE2-CA 3.4Å; E665-T685 VanDerWaalsContact OE2-CB 3.32Å; E665-T685 WeakPolarHBondContact OE2-CB 3.21Å; E665-T685 PolarHBondContact OE2-N 2.77Å; E665-T685 PolarHBondContact OE2-OG1 3.13Å; T685-C688 CarbonylContact O-C 3.58Å; T685-C688 WeakPolarHBondContact O-CA 3.34Å; T685-C688 WeakPolarHBondContact O-CB 3.32Å; T685-C688 PolarHBondContact O-N 2.85Å; T685-C688 VanDerWaalsContact O-N 3.17Å; T685-R689 WeakPolarHBondContact O-CG 3.3Å; T685-R689 PolarHBondContact O-N 3.02Å
686	D	92.7	Very high	84.8	Confident	93 Å²	93	44.5 Å²	44.5	50%	0.497	23%	0.232	S	C	.	.	H	α-helix	trans	-68.4	-37.8	-179.9	-75.5	-29.7	0	0	0	112.4	S684 C688 R689 S690	S684-D686 PolarHBondContact O-N 3.2Å; D686-C688 VanDerWaalsContact C-N 3.3Å; D686-C688 PolarHBondContact O-N 3.04Å; D686-R689 WeakPolarHBondContact O-CB 3.32Å; D686-R689 PolarHBondContact O-N 2.75Å; D686-R689 IonicContact OD1-CZ 2.69Å; D686-R689 IonicContact OD1-NE 3.43Å; D686-R689 IonicContact OD1-NH1 3.62Å; D686-R689 PolarHBondContact OD1-NH1 2.63Å; D686-S690 PolarHBondContact O-N 2.94Å; D686-S690 PolarHBondContact O-OG 2.81Å; D686-S690 VanDerWaalsContact O-OG 3.12Å
687	A	93.4	Very high	85.1	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.8	-37.2	170.9	0	0	0	0	0	111.3	V683 S684 S690 L691 I774 S775	V683-A687 HydrophobicContact CG1-CB 3.44Å; V683-A687 VanDerWaalsContact CG1-CB 3.44Å; S684-A687 PolarHBondContact O-N 2.88Å; S684-A687 WeakPolarHBondContact OG-CB 3.47Å; S684-A687 PolarHBondContact OG-N 2.79Å; S684-A687 VanDerWaalsContact OG-N 3.15Å; A687-S690 WeakPolarHBondContact O-CB 3.42Å; A687-S690 PolarHBondContact O-N 2.82Å; A687-L691 WeakPolarHBondContact O-CG 3.3Å; A687-L691 PolarHBondContact O-N 3.13Å; A687-I774 HydrophobicContact CB-CB 4.24Å; A687-I774 HydrophobicContact CB-CG2 4.18Å; A687-S775 WeakPolarHBondContact CA-OG 3.48Å
688	C	94.7	Very high	85.5	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.8	-40.5	172.4	-63.4	0	0	0	0	111.8	A661 L664 E665 S684 T685 D686 S690 L691 V692	A661-C688 HydrophobicContact CB-CB 4.18Å; A661-C688 WeakPolarHBondContact O-CB 3.41Å; L664-C688 HydrophobicContact CB-CB 4.44Å; L664-C688 HydrophobicContact CD2-CB 4.23Å; L664-C688 HydrophobicContact CG-CB 4.46Å; E665-C688 VanDerWaalsContact CA-SG 3.55Å; S684-C688 PolarHBondContact O-N 2.97Å; S684-C688 PolarHBondContact O-SG 2.92Å; T685-C688 CarbonylContact O-C 3.58Å; T685-C688 WeakPolarHBondContact O-CA 3.34Å; T685-C688 WeakPolarHBondContact O-CB 3.32Å; T685-C688 PolarHBondContact O-N 2.85Å; T685-C688 VanDerWaalsContact O-N 3.17Å; D686-C688 VanDerWaalsContact C-N 3.3Å; D686-C688 PolarHBondContact O-N 3.04Å; C688-S690 VanDerWaalsContact C-N 3.33Å; C688-S690 PolarHBondContact O-N 3.36Å; C688-L691 PolarHBondContact O-N 2.94Å; C688-V692 WeakPolarHBondContact O-CG2 3.22Å; C688-V692 PolarHBondContact O-N 3.31Å
689	R	94.3	Very high	86.1	Confident	118 Å²	118	50.4 Å²	50.4	45%	0.445	27%	0.27	S	S	.	.	H	α-helix	trans	-58.6	-45	172.2	-69.5	178	-174.9	158.5	-6	111.4	A661 T685 D686 L691 V692 A693	A661-R689 HydrophobicContact CB-CB 4.13Å; A661-R689 HydrophobicContact CB-CG 3.36Å; T685-R689 WeakPolarHBondContact O-CG 3.3Å; T685-R689 PolarHBondContact O-N 3.02Å; D686-R689 WeakPolarHBondContact O-CB 3.32Å; D686-R689 PolarHBondContact O-N 2.75Å; D686-R689 IonicContact OD1-CZ 2.69Å; D686-R689 IonicContact OD1-NE 3.43Å; D686-R689 IonicContact OD1-NH1 3.62Å; D686-R689 PolarHBondContact OD1-NH1 2.63Å; R689-L691 VanDerWaalsContact C-N 3.31Å; R689-L691 PolarHBondContact O-N 3.22Å; R689-V692 PolarHBondContact O-N 2.89Å; R689-A693 WeakPolarHBondContact O-CB 3.11Å; R689-A693 PolarHBondContact O-N 3.29Å
690	S	93.4	Very high	87.1	Confident	33 Å²	33	52.4 Å²	52.4	23%	0.231	28%	0.282	C	S	.	.	H	α-helix	trans	-62.4	-37.2	177	-52.7	0	0	0	0	112.5	D686 A687 C688 L694 S775	D686-S690 PolarHBondContact O-N 2.94Å; D686-S690 PolarHBondContact O-OG 2.81Å; D686-S690 VanDerWaalsContact O-OG 3.12Å; A687-S690 WeakPolarHBondContact O-CB 3.42Å; A687-S690 PolarHBondContact O-N 2.82Å; C688-S690 VanDerWaalsContact C-N 3.33Å; C688-S690 PolarHBondContact O-N 3.36Å; S690-L694 PolarHBondContact O-N 3.11Å; S690-S775 PolarHBondContact OG-OG 2.69Å
691	L	93.5	Very high	87.9	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-70.6	-41	176.6	-69.9	171.7	0	0	0	112.4	L668 V683 A687 C688 R689 L694 V711 L715 W718 I774	L668-L691 HydrophobicContact CD1-CD1 3.89Å; V683-L691 HydrophobicContact CG1-CD1 4.49Å; A687-L691 WeakPolarHBondContact O-CG 3.3Å; A687-L691 PolarHBondContact O-N 3.13Å; C688-L691 PolarHBondContact O-N 2.94Å; R689-L691 VanDerWaalsContact C-N 3.31Å; R689-L691 PolarHBondContact O-N 3.22Å; L691-L694 VanDerWaalsContact O-CB 3.24Å; L691-L694 WeakPolarHBondContact O-CB 3.25Å; L691-L694 PolarHBondContact O-N 3.02Å; L691-V711 HydrophobicContact CB-CG1 3.98Å; L691-V711 HydrophobicContact CD1-CG1 4.2Å; L691-V711 HydrophobicContact CD2-CG1 4.07Å; L691-V711 HydrophobicContact CG-CG1 4.31Å; L691-L715 HydrophobicContact CD1-CD1 4.44Å; L691-L715 HydrophobicContact CD1-CD2 4.49Å; L691-W718 HydrophobicContact CD2-CZ3 4.19Å; L691-I774 HydrophobicContact CD1-CG2 4.07Å; L691-I774 HydrophobicContact CD2-CG2 3.82Å; L691-I774 HydrophobicContact CG-CG2 3.89Å
692	V	93.9	Very high	89.2	Confident	5 Å²	5	56.5 Å²	56.5	3%	0.03	30%	0.3	C	S	.	.	H	α-helix	trans	-60.8	-51.2	173.5	173	0	0	0	0	109.7	A661 L664 C688 R689 L694 L695 D696 L703	A661-V692 HydrophobicContact CB-CG2 4.42Å; L664-V692 HydrophobicContact CD2-CG2 3.68Å; C688-V692 WeakPolarHBondContact O-CG2 3.22Å; C688-V692 PolarHBondContact O-N 3.31Å; R689-V692 PolarHBondContact O-N 2.89Å; V692-L694 PolarHBondContact O-N 2.86Å; V692-L695 PolarHBondContact O-N 2.85Å; V692-L695 VanDerWaalsContact O-N 3.09Å; V692-D696 HydrophobicContact CG1-CB 4.31Å; V692-D696 VanDerWaalsContact O-CB 3.28Å; V692-D696 WeakPolarHBondContact O-CB 3.16Å; V692-D696 PolarHBondContact O-N 2.78Å; V692-L703 HydrophobicContact CG2-CB 4.24Å
693	A	91.1	Very high	89.7	Confident	28 Å²	28	50.8 Å²	50.8	23%	0.231	27%	0.272	C	S	.	.	H	α-helix	trans	-57.4	-25.1	179.2	0	0	0	0	0	113.2	R689 L695 K782	R689-A693 WeakPolarHBondContact O-CB 3.11Å; R689-A693 PolarHBondContact O-N 3.29Å; A693-L695 VanDerWaalsContact C-N 3.33Å; A693-L695 PolarHBondContact O-N 2.95Å; A693-K782 WeakPolarHBondContact O-CD 3.41Å; A693-K782 WeakPolarHBondContact O-CE 3.38Å; A693-K782 PolarHBondContact O-NZ 3.15Å
694	L	89.2	Confident	90	Very high	14 Å²	14	52.6 Å²	52.6	7%	0.073	28%	0.284	C	S	.	.	H	α-helix	trans	-61.3	-40.8	177.9	-168.5	63.8	0	0	0	112.5	S690 L691 V692 I714 W718 T781 K782	S690-L694 PolarHBondContact O-N 3.11Å; L691-L694 VanDerWaalsContact O-CB 3.24Å; L691-L694 WeakPolarHBondContact O-CB 3.25Å; L691-L694 PolarHBondContact O-N 3.02Å; V692-L694 PolarHBondContact O-N 2.86Å; L694-I714 HydrophobicContact CD2-CD1 3.63Å; L694-I714 HydrophobicContact CD2-CG2 4.31Å; L694-W718 HydrophobicContact CD2-CH2 4.16Å; L694-T781 HydrophobicContact CD1-CG2 3.82Å; L694-K782 HydrophobicContact CD1-CB 3.97Å
695	L	86.9	Confident	89.7	Confident	27 Å²	27	52.1 Å²	52.1	14%	0.141	28%	0.277	C	S	.	.	H	α-helix	trans	-115.1	-10.3	-174.4	-61.6	-175.3	0	0	0	114.3	V692 A693 R697 L703 D707 R710 V711	V692-L695 PolarHBondContact O-N 2.85Å; V692-L695 VanDerWaalsContact O-N 3.09Å; A693-L695 VanDerWaalsContact C-N 3.33Å; A693-L695 PolarHBondContact O-N 2.95Å; L695-R697 PolarHBondContact O-N 2.75Å; L695-L703 HydrophobicContact CB-CD1 4.06Å; L695-L703 HydrophobicContact CD1-CD1 4.42Å; L695-D707 HydrophobicContact CB-CB 4.28Å; L695-D707 HydrophobicContact CD1-CB 3.98Å; L695-D707 WeakPolarHBondContact CD1-O 3.28Å; L695-R710 HydrophobicContact CD1-CB 3.72Å; L695-R710 HydrophobicContact CD1-CG 3.99Å; L695-R710 HydrophobicContact CD2-CG 4.33Å; L695-V711 HydrophobicContact CD1-CG2 3.43Å; L695-V711 VanDerWaalsContact CD1-CG2 3.43Å; L695-V711 HydrophobicContact CG-CG2 4.11Å
696	D	84.7	Confident	89.2	Confident	24 Å²	24	54.8 Å²	54.8	13%	0.128	30%	0.298	C	S	.	.			trans	-63.8	102.3	171.6	-175.1	4.9	0	0	0	109.9	V692 D698 G699 T700 G701 K782	V692-D696 HydrophobicContact CG1-CB 4.31Å; V692-D696 VanDerWaalsContact O-CB 3.28Å; V692-D696 WeakPolarHBondContact O-CB 3.16Å; V692-D696 PolarHBondContact O-N 2.78Å; D696-D698 PolarHBondContact OD1-N 3.3Å; D696-G699 WeakPolarHBondContact OD1-CA 3.36Å; D696-G699 PolarHBondContact OD1-N 2.9Å; D696-T700 PolarHBondContact OD1-N 3.01Å; D696-T700 PolarHBondContact OD2-N 3.27Å; D696-G701 VanDerWaalsContact OD2-CA 3.28Å; D696-G701 WeakPolarHBondContact OD2-CA 3.16Å; D696-G701 PolarHBondContact OD2-N 2.92Å; D696-K782 PolarHBondContact O-NZ 3.29Å
697	R	76.1	Confident	89.1	Confident	232 Å²	232	53.1 Å²	53.1	88%	0.875	29%	0.289	S	S	*	.	S	Bend	trans	-95.7	-23.5	-179	-68.7	-176.9	-174.9	-166.6	1.4	112.4	L695	L695-R697 PolarHBondContact O-N 2.75Å
698	D	79.5	Confident	89	Confident	124 Å²	124	53.1 Å²	53.1	66%	0.663	29%	0.289	S	S	*	.	S	Bend	trans	-100.6	-4	-176.1	54.4	2.2	0	0	0	112.8	D696 T700	D696-D698 PolarHBondContact OD1-N 3.3Å; D698-T700 VanDerWaalsContact C-N 3.29Å; D698-T700 HydrophobicContact CB-CG2 4.14Å; D698-T700 VanDerWaalsContact OD1-CG2 3.3Å; D698-T700 WeakPolarHBondContact OD1-CG2 3.4Å; D698-T700 PolarHBondContact OD1-OG1 3.29Å; D698-T700 WeakPolarHBondContact OD2-CG2 3.43Å
699	G	81.6	Confident	88.8	Confident	55 Å²	55	57.5 Å²	57.5	57%	0.567	31%	0.305	S	S	*	.	S	Bend	trans	73.1	24.4	176.9	0	0	0	0	0	112.3	D696 G701	D696-G699 WeakPolarHBondContact OD1-CA 3.36Å; D696-G699 PolarHBondContact OD1-N 2.9Å; G699-G701 VanDerWaalsContact C-N 3.27Å; G699-G701 PolarHBondContact O-N 2.72Å
700	T	88.3	Confident	88.6	Confident	76 Å²	76	56.7 Å²	56.7	47%	0.466	30%	0.302	S	S	.	.			trans	-77.2	-16.1	-176.4	54.7	0	0	0	0	113	D696 D698 R702	D696-T700 PolarHBondContact OD1-N 3.01Å; D696-T700 PolarHBondContact OD2-N 3.27Å; D698-T700 VanDerWaalsContact C-N 3.29Å; D698-T700 HydrophobicContact CB-CG2 4.14Å; D698-T700 VanDerWaalsContact OD1-CG2 3.3Å; D698-T700 WeakPolarHBondContact OD1-CG2 3.4Å; D698-T700 PolarHBondContact OD1-OG1 3.29Å; D698-T700 WeakPolarHBondContact OD2-CG2 3.43Å; T700-R702 PolarHBondContact O-N 2.9Å; T700-R702 PolarHBondContact OG1-N 3.2Å
701	G	90.6	Very high	88.5	Confident	36 Å²	36	55.1 Å²	55.1	37%	0.371	29%	0.291	S	S	.	.	S	Bend	trans	68.8	18	-171.1	0	0	0	0	0	113	D696 G699	D696-G701 VanDerWaalsContact OD2-CA 3.28Å; D696-G701 WeakPolarHBondContact OD2-CA 3.16Å; D696-G701 PolarHBondContact OD2-N 2.92Å; G699-G701 VanDerWaalsContact C-N 3.27Å; G699-G701 PolarHBondContact O-N 2.72Å
702	R	93.1	Very high	88.4	Confident	117 Å²	117	55.4 Å²	55.4	44%	0.442	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	154.3	-176.3	-62	-173.6	-174.5	-161.8	1.9	111.9	A658 V659 D660 T700	A658-R702 HydrophobicContact CB-CB 4.21Å; V659-R702 CarbonylContact O-C 3.6Å; V659-R702 WeakPolarHBondContact O-CA 3.39Å; D660-R702 HydrophobicContact CB-CG 4.41Å; T700-R702 PolarHBondContact O-N 2.9Å; T700-R702 PolarHBondContact OG1-N 3.2Å
703	L	93	Very high	88.2	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.1	179.1	-169.8	76.7	0	0	0	109.6	A658 V659 L664 V692 L695 D707 F708 V711	A658-L703 WeakPolarHBondContact CA-O 3.49Å; V659-L703 HydrophobicContact CG2-CB 4.47Å; V659-L703 PolarHBondContact N-O 3.03Å; V659-L703 PolarHBondContact O-N 2.97Å; L664-L703 HydrophobicContact CD1-CD2 4.37Å; L664-L703 HydrophobicContact CD2-CD2 4.19Å; V692-L703 HydrophobicContact CG2-CB 4.24Å; L695-L703 HydrophobicContact CB-CD1 4.06Å; L695-L703 HydrophobicContact CD1-CD1 4.42Å; L703-D707 HydrophobicContact CD1-CB 3.52Å; L703-D707 HydrophobicContact CG-CB 4.17Å; L703-F708 HydrophobicContact CD2-CB 4.13Å; L703-F708 HydrophobicContact CD2-CD2 4.01Å; L703-V711 HydrophobicContact CD1-CG2 3.84Å; L703-V711 HydrophobicContact CD2-CB 4.3Å; L703-V711 HydrophobicContact CD2-CG2 3.73Å; L703-V711 HydrophobicContact CG-CG2 4.43Å
704	C	91.7	Very high	88.2	Confident	41 Å²	41	54.8 Å²	54.8	28%	0.277	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	165.3	175.9	74.8	0	0	0	0	112	S706 D707 F708	C704-S706 VanDerWaalsContact C-N 3.29Å; C704-S706 PolarHBondContact O-N 2.73Å; C704-S706 PolarHBondContact SG-OG 3.49Å; C704-D707 PolarHBondContact O-N 2.85Å; C704-D707 VanDerWaalsContact SG-CG 3.55Å; C704-D707 PolarHBondContact SG-OD2 3.08Å; C704-F708 PolarHBondContact O-N 3.21Å
705	E	87.2	Confident	88.3	Confident	33 Å²	33	54.2 Å²	54.2	15%	0.154	28%	0.282	C	S	.	.	H	α-helix	trans	-56.7	-39.2	-178.8	-168	-156.7	146.9	0	0	113.1	Q642 L645 R646 F649 F708	Q642-E705 PolarHBondContact NE2-OE1 2.93Å; L645-E705 HydrophobicContact CD2-CG 4.45Å; R646-E705 VanDerWaalsContact CG-CD 3.5Å; R646-E705 HydrophobicContact CG-CG 4.41Å; R646-E705 WeakPolarHBondContact CG-OE1 3.39Å; R646-E705 WeakPolarHBondContact CG-OE2 3.11Å; R646-E705 IonicContact CZ-OE1 2.8Å; R646-E705 IonicContact CZ-OE2 3.42Å; R646-E705 IonicContact NE-OE1 3.12Å; R646-E705 PolarHBondContact NE-OE1 2.91Å; R646-E705 IonicContact NE-OE2 2.73Å; R646-E705 PolarHBondContact NE-OE2 2.8Å; R646-E705 IonicContact NH2-OE1 2.86Å; R646-E705 PolarHBondContact NH2-OE1 3.16Å; R646-E705 IonicContact NH2-OE2 3.5Å; F649-E705 HydrophobicContact CD1-CB 4.43Å; E705-F708 WeakPolarHBondContact O-CB 3.35Å; E705-F708 PolarHBondContact O-N 2.67Å
706	S	84.1	Confident	88.4	Confident	94 Å²	94	54 Å²	54	66%	0.657	28%	0.279	S	S	*	.	H	α-helix	trans	-67.4	-37.2	-179.6	47.5	0	0	0	0	112.5	C704	C704-S706 VanDerWaalsContact C-N 3.29Å; C704-S706 PolarHBondContact O-N 2.73Å; C704-S706 PolarHBondContact SG-OG 3.49Å
707	D	89.8	Confident	88.6	Confident	58 Å²	58	53.4 Å²	53.4	31%	0.31	28%	0.277	S	S	.	.	H	α-helix	trans	-74.2	-31.1	176.9	-66	-36.8	0	0	0	111.5	L695 L703 C704 R709 R710 V711	L695-D707 HydrophobicContact CB-CB 4.28Å; L695-D707 HydrophobicContact CD1-CB 3.98Å; L695-D707 WeakPolarHBondContact CD1-O 3.28Å; L703-D707 HydrophobicContact CD1-CB 3.52Å; L703-D707 HydrophobicContact CG-CB 4.17Å; C704-D707 PolarHBondContact O-N 2.85Å; C704-D707 VanDerWaalsContact SG-CG 3.55Å; C704-D707 PolarHBondContact SG-OD2 3.08Å; D707-R709 PolarHBondContact O-N 2.72Å; D707-R710 PolarHBondContact O-N 3.03Å; D707-V711 PolarHBondContact O-N 3Å; D707-V711 VanDerWaalsContact O-N 3.08Å
708	F	92	Very high	89.3	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-56.1	-38.5	176.2	-176.8	-84.4	0	0	0	112.5	Y638 F641 L645 F649 L664 L668 L671 L703 C704 E705 R710 V711 W712	Y638-F708 HydrophobicContact CE2-CD1 4.42Å; F641-F708 HydrophobicContact CE2-CE1 4.44Å; L645-F708 HydrophobicContact CD1-CD1 3.72Å; L645-F708 HydrophobicContact CD1-CD2 4.35Å; L645-F708 HydrophobicContact CD1-CE1 3.43Å; L645-F708 VanDerWaalsContact CD1-CE1 3.43Å; L645-F708 HydrophobicContact CD1-CE2 4.08Å; L645-F708 HydrophobicContact CD1-CG 4.17Å; L645-F708 HydrophobicContact CD1-CZ 3.62Å; L645-F708 HydrophobicContact CD2-CD1 3.36Å; L645-F708 HydrophobicContact CD2-CE1 3.68Å; L645-F708 HydrophobicContact CD2-CG 4.17Å; L645-F708 HydrophobicContact CG-CD1 4.17Å; L645-F708 HydrophobicContact CG-CE1 4.2Å; F649-F708 HydrophobicContact CE1-CB 4.45Å; F649-F708 AromaticContact CE2-CD2 3.8Å; F649-F708 HydrophobicContact CE2-CD2 3.8Å; F649-F708 HydrophobicContact CE2-CE2 4.17Å; F649-F708 HydrophobicContact CE2-CG 4.17Å; F649-F708 HydrophobicContact CZ-CB 3.84Å; F649-F708 AromaticContact CZ-CD2 3.56Å; F649-F708 HydrophobicContact CZ-CD2 3.56Å; F649-F708 HydrophobicContact CZ-CE2 4.36Å; F649-F708 AromaticContact CZ-CG 3.84Å; F649-F708 HydrophobicContact CZ-CG 3.84Å; L664-F708 HydrophobicContact CD1-CD2 3.85Å; L664-F708 HydrophobicContact CD1-CE2 3.68Å; L668-F708 HydrophobicContact CD2-CE2 3.79Å; L668-F708 HydrophobicContact CD2-CZ 3.86Å; L668-F708 HydrophobicContact CG-CE2 4.37Å; L671-F708 HydrophobicContact CD1-CE1 4.26Å; L671-F708 HydrophobicContact CD1-CZ 3.74Å; L703-F708 HydrophobicContact CD2-CB 4.13Å; L703-F708 HydrophobicContact CD2-CD2 4.01Å; C704-F708 PolarHBondContact O-N 3.21Å; E705-F708 WeakPolarHBondContact O-CB 3.35Å; E705-F708 PolarHBondContact O-N 2.67Å; F708-R710 PolarHBondContact O-N 3.49Å; F708-V711 PolarHBondContact O-N 3.3Å; F708-V711 VanDerWaalsContact O-N 3.15Å; F708-W712 HydrophobicContact CD1-CB 4.36Å; F708-W712 HydrophobicContact CE1-CB 4.03Å; F708-W712 HydrophobicContact CE1-CD2 4.35Å; F708-W712 HydrophobicContact CE1-CE3 4.03Å; F708-W712 HydrophobicContact CE1-CG 4.38Å; F708-W712 AromaticContact CZ-CE3 3.86Å; F708-W712 HydrophobicContact CZ-CE3 3.86Å; F708-W712 HydrophobicContact CZ-CZ3 4.5Å; F708-W712 WeakPolarHBondContact O-CB 3.27Å; F708-W712 PolarHBondContact O-N 3.41Å
709	R	91.4	Very high	89.9	Confident	93 Å²	93	37 Å²	37	35%	0.351	21%	0.206	S	C	.	.	H	α-helix	trans	-53.9	-45.1	176.2	-175.9	173.9	-176.3	145.2	7.2	111.4	Y638 E639 D707 W712 D713	Y638-R709 HydrophobicContact CD1-CG 4.09Å; Y638-R709 HydrophobicContact CD2-CG 4.15Å; Y638-R709 HydrophobicContact CE1-CB 3.97Å; Y638-R709 HydrophobicContact CE1-CG 3.81Å; Y638-R709 HydrophobicContact CE2-CB 3.99Å; Y638-R709 HydrophobicContact CE2-CG 3.88Å; Y638-R709 HydrophobicContact CG-CG 4.25Å; Y638-R709 VanDerWaalsContact OH-CA 3.31Å; Y638-R709 WeakPolarHBondContact OH-CA 3.27Å; Y638-R709 WeakPolarHBondContact OH-CB 3.49Å; Y638-R709 PolarHBondContact OH-N 2.56Å; E639-R709 IonicContact OE1-CZ 3.59Å; E639-R709 IonicContact OE1-NH1 3.81Å; E639-R709 PolarHBondContact OE1-NH1 2.77Å; E639-R709 IonicContact OE1-NH2 3.35Å; E639-R709 PolarHBondContact OE1-NH2 2.88Å; D707-R709 PolarHBondContact O-N 2.72Å; R709-W712 WeakPolarHBondContact O-CB 3.44Å; R709-W712 PolarHBondContact O-N 3.17Å; R709-D713 PolarHBondContact O-N 3.15Å; R709-D713 VanDerWaalsContact O-N 3.08Å
710	R	89.5	Confident	90.2	Very high	100 Å²	100	39.2 Å²	39.2	38%	0.377	20%	0.198	S	C	.	.	H	α-helix	trans	-70.3	-40.3	-179.5	-174	55.6	166.4	-174.7	-5.8	111.8	P632 L695 D707 F708 W712 D713 I714	P632-R710 VanDerWaalsContact CD-CZ 3.45Å; L695-R710 HydrophobicContact CD1-CB 3.72Å; L695-R710 HydrophobicContact CD1-CG 3.99Å; L695-R710 HydrophobicContact CD2-CG 4.33Å; D707-R710 PolarHBondContact O-N 3.03Å; F708-R710 PolarHBondContact O-N 3.49Å; R710-W712 VanDerWaalsContact C-N 3.28Å; R710-W712 PolarHBondContact O-N 2.96Å; R710-D713 PolarHBondContact O-N 3.36Å; R710-I714 HydrophobicContact CG-CD1 4.16Å; R710-I714 VanDerWaalsContact O-CG1 3.25Å; R710-I714 WeakPolarHBondContact O-CG1 3.42Å; R710-I714 PolarHBondContact O-N 2.63Å; R710-I714 VanDerWaalsContact O-N 3.1Å
711	V	91.6	Very high	90.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.1	-43.9	172.7	177.1	0	0	0	0	110.7	L691 L695 L703 D707 F708 I714 L715	L691-V711 HydrophobicContact CB-CG1 3.98Å; L691-V711 HydrophobicContact CD1-CG1 4.2Å; L691-V711 HydrophobicContact CD2-CG1 4.07Å; L691-V711 HydrophobicContact CG-CG1 4.31Å; L695-V711 HydrophobicContact CD1-CG2 3.43Å; L695-V711 VanDerWaalsContact CD1-CG2 3.43Å; L695-V711 HydrophobicContact CG-CG2 4.11Å; L703-V711 HydrophobicContact CD1-CG2 3.84Å; L703-V711 HydrophobicContact CD2-CB 4.3Å; L703-V711 HydrophobicContact CD2-CG2 3.73Å; L703-V711 HydrophobicContact CG-CG2 4.43Å; D707-V711 PolarHBondContact O-N 3Å; D707-V711 VanDerWaalsContact O-N 3.08Å; F708-V711 PolarHBondContact O-N 3.3Å; F708-V711 VanDerWaalsContact O-N 3.15Å; V711-I714 PolarHBondContact O-N 3.49Å; V711-L715 VanDerWaalsContact O-CB 3.24Å; V711-L715 WeakPolarHBondContact O-CB 3.45Å; V711-L715 PolarHBondContact O-N 3.35Å
712	W	91.2	Very high	90.5	Very high	6 Å²	6	35.5 Å²	35.5	2%	0.023	17%	0.166	C	C	.	.	H	α-helix	trans	-61.2	-47.3	-179.8	-174	-101.8	0	0	0	112.2	D635 Y638 F641 L668 L671 L672 F708 R709 R710 I714 L715 R716	D635-W712 PolarHBondContact OD2-NE1 2.95Å; Y638-W712 AromaticContact CD2-CD1 3.76Å; Y638-W712 HydrophobicContact CD2-CG 4.31Å; Y638-W712 HydrophobicContact CE2-CB 4.12Å; Y638-W712 HydrophobicContact CE2-CG 4.17Å; F641-W712 AromaticContact CE1-CE2 3.95Å; F641-W712 HydrophobicContact CE1-CZ2 4.3Å; F641-W712 AromaticContact CE1-NE1 3.59Å; F641-W712 AromaticContact CZ-CD1 3.82Å; F641-W712 AromaticContact CZ-CD2 3.91Å; F641-W712 HydrophobicContact CZ-CD2 3.91Å; F641-W712 AromaticContact CZ-CE2 3.56Å; F641-W712 HydrophobicContact CZ-CG 4.07Å; F641-W712 HydrophobicContact CZ-CZ2 4.06Å; F641-W712 AromaticContact CZ-NE1 3.47Å; L668-W712 HydrophobicContact CD2-CE3 4.07Å; L668-W712 HydrophobicContact CD2-CZ3 4.03Å; L671-W712 HydrophobicContact CB-CH2 3.7Å; L671-W712 HydrophobicContact CB-CZ3 3.79Å; L671-W712 HydrophobicContact CD1-CZ3 4.23Å; L672-W712 HydrophobicContact CD2-CH2 4.21Å; L672-W712 HydrophobicContact CD2-CZ3 4.37Å; L672-W712 HydrophobicContact CG-CZ3 4.47Å; F708-W712 HydrophobicContact CD1-CB 4.36Å; F708-W712 HydrophobicContact CE1-CB 4.03Å; F708-W712 HydrophobicContact CE1-CD2 4.35Å; F708-W712 HydrophobicContact CE1-CE3 4.03Å; F708-W712 HydrophobicContact CE1-CG 4.38Å; F708-W712 AromaticContact CZ-CE3 3.86Å; F708-W712 HydrophobicContact CZ-CE3 3.86Å; F708-W712 HydrophobicContact CZ-CZ3 4.5Å; F708-W712 WeakPolarHBondContact O-CB 3.27Å; F708-W712 PolarHBondContact O-N 3.41Å; R709-W712 WeakPolarHBondContact O-CB 3.44Å; R709-W712 PolarHBondContact O-N 3.17Å; R710-W712 VanDerWaalsContact C-N 3.28Å; R710-W712 PolarHBondContact O-N 2.96Å; W712-I714 VanDerWaalsContact C-N 3.35Å; W712-I714 PolarHBondContact O-N 3.06Å; W712-L715 PolarHBondContact O-N 3.39Å; W712-R716 VanDerWaalsContact O-CB 3.29Å; W712-R716 WeakPolarHBondContact O-CB 3.35Å; W712-R716 PolarHBondContact O-N 3.45Å
713	D	90.3	Very high	90.4	Very high	7 Å²	7	31.1 Å²	31.1	4%	0.037	16%	0.155	C	C	.	.	H	α-helix	trans	-62.4	-41.5	178.3	-66.1	-27.3	0	0	0	111.9	P632 D635 R709 R710 S717	P632-D713 HydrophobicContact CB-CB 4.11Å; P632-D713 WeakPolarHBondContact CB-O 3.48Å; P632-D713 HydrophobicContact CG-CB 3.88Å; D635-D713 PolarHBondContact N-OD1 3.39Å; R709-D713 PolarHBondContact O-N 3.15Å; R709-D713 VanDerWaalsContact O-N 3.08Å; R710-D713 PolarHBondContact O-N 3.36Å; D713-S717 WeakPolarHBondContact O-CB 3.4Å; D713-S717 PolarHBondContact O-N 2.9Å; D713-S717 VanDerWaalsContact O-N 3.12Å; D713-S717 PolarHBondContact O-OG 3.25Å
714	I	90.5	Very high	90.4	Very high	14 Å²	14	34.8 Å²	34.8	7%	0.072	18%	0.181	C	C	.	.	H	α-helix	trans	-63.4	-54	176.1	-68.4	174.4	0	0	0	110.2	P632 L694 R710 V711 W712 R716 S717 W718	P632-I714 HydrophobicContact CG-CB 4.38Å; P632-I714 HydrophobicContact CG-CG1 3.57Å; L694-I714 HydrophobicContact CD2-CD1 3.63Å; L694-I714 HydrophobicContact CD2-CG2 4.31Å; R710-I714 HydrophobicContact CG-CD1 4.16Å; R710-I714 VanDerWaalsContact O-CG1 3.25Å; R710-I714 WeakPolarHBondContact O-CG1 3.42Å; R710-I714 PolarHBondContact O-N 2.63Å; R710-I714 VanDerWaalsContact O-N 3.1Å; V711-I714 PolarHBondContact O-N 3.49Å; W712-I714 VanDerWaalsContact C-N 3.35Å; W712-I714 PolarHBondContact O-N 3.06Å; I714-R716 VanDerWaalsContact C-N 3.29Å; I714-R716 PolarHBondContact O-N 2.9Å; I714-S717 WeakPolarHBondContact O-CB 3.2Å; I714-S717 PolarHBondContact O-N 3.13Å; I714-S717 VanDerWaalsContact O-N 3.13Å; I714-W718 HydrophobicContact CG2-CD2 3.63Å; I714-W718 HydrophobicContact CG2-CE3 3.71Å; I714-W718 HydrophobicContact CG2-CG 4.48Å; I714-W718 HydrophobicContact CG2-CH2 3.33Å; I714-W718 HydrophobicContact CG2-CZ2 3.23Å; I714-W718 HydrophobicContact CG2-CZ3 3.57Å; I714-W718 PolarHBondContact O-N 2.93Å
715	L	90.7	Very high	90.4	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-57.3	-44.4	-177.9	178.2	61.9	0	0	0	110.9	L668 L672 L691 V711 W712 S717 W718 S719 I774	L668-L715 HydrophobicContact CD1-CD2 4.42Å; L668-L715 HydrophobicContact CD2-CD2 3.85Å; L672-L715 HydrophobicContact CD1-CD2 4.35Å; L672-L715 HydrophobicContact CD2-CD2 4.44Å; L691-L715 HydrophobicContact CD1-CD1 4.44Å; L691-L715 HydrophobicContact CD1-CD2 4.49Å; V711-L715 VanDerWaalsContact O-CB 3.24Å; V711-L715 WeakPolarHBondContact O-CB 3.45Å; V711-L715 PolarHBondContact O-N 3.35Å; W712-L715 PolarHBondContact O-N 3.39Å; L715-S717 PolarHBondContact O-N 3.48Å; L715-W718 PolarHBondContact O-N 3.45Å; L715-S719 VanDerWaalsContact O-CB 3.29Å; L715-S719 WeakPolarHBondContact O-CB 3.43Å; L715-S719 PolarHBondContact O-N 2.85Å; L715-S719 PolarHBondContact O-OG 3.24Å; L715-I774 HydrophobicContact CD1-CD1 3.6Å; L715-I774 HydrophobicContact CD1-CG1 4.09Å; L715-I774 HydrophobicContact CD1-CG2 4.4Å
716	R	88.7	Confident	90.7	Very high	23 Å²	23	33.9 Å²	33.9	9%	0.087	17%	0.172	C	C	.	.	H	α-helix	trans	-64.5	-41	179.1	-172	179.7	177.5	-154.2	6	112.1	D635 R677 W712 I714 S719 R720	D635-R716 VanDerWaalsContact CB-NH1 3.31Å; D635-R716 IonicContact OD1-CZ 3.57Å; D635-R716 IonicContact OD1-NH1 3.45Å; D635-R716 PolarHBondContact OD1-NH1 2.63Å; D635-R716 IonicContact OD1-NH2 2.76Å; D635-R716 IonicContact OD2-NH1 3.93Å; R677-R716 VanDerWaalsContact CZ-CZ 3.49Å; W712-R716 VanDerWaalsContact O-CB 3.29Å; W712-R716 WeakPolarHBondContact O-CB 3.35Å; W712-R716 PolarHBondContact O-N 3.45Å; I714-R716 VanDerWaalsContact C-N 3.29Å; I714-R716 PolarHBondContact O-N 2.9Å; R716-S719 PolarHBondContact O-N 3.11Å; R716-R720 WeakPolarHBondContact O-CG 3.44Å; R716-R720 PolarHBondContact O-N 3.16Å
717	S	89.8	Confident	90.9	Very high	12 Å²	12	34.6 Å²	34.6	8%	0.084	17%	0.174	C	C	.	.	H	α-helix	trans	-62.9	-48	177.5	-61.1	0	0	0	0	111.2	P632 D713 I714 L715 S719 R720 L721	P632-S717 WeakPolarHBondContact CB-OG 3.26Å; D713-S717 WeakPolarHBondContact O-CB 3.4Å; D713-S717 PolarHBondContact O-N 2.9Å; D713-S717 VanDerWaalsContact O-N 3.12Å; D713-S717 PolarHBondContact O-OG 3.25Å; I714-S717 WeakPolarHBondContact O-CB 3.2Å; I714-S717 PolarHBondContact O-N 3.13Å; I714-S717 VanDerWaalsContact O-N 3.13Å; L715-S717 PolarHBondContact O-N 3.48Å; S717-S719 VanDerWaalsContact C-N 3.34Å; S717-S719 PolarHBondContact O-N 2.6Å; S717-R720 PolarHBondContact O-N 3.09Å; S717-L721 PolarHBondContact O-N 3.24Å
718	W	91.5	Very high	90.8	Very high	6 Å²	6	39.7 Å²	39.7	2%	0.023	20%	0.196	C	C	.	.	H	α-helix	trans	-64.2	-38.1	175.8	-65.1	-16.2	0	0	0	112.7	L691 L694 I714 L715 R720 L721 F722 F773 I774 M777 S778 T781	L691-W718 HydrophobicContact CD2-CZ3 4.19Å; L694-W718 HydrophobicContact CD2-CH2 4.16Å; I714-W718 HydrophobicContact CG2-CD2 3.63Å; I714-W718 HydrophobicContact CG2-CE3 3.71Å; I714-W718 HydrophobicContact CG2-CG 4.48Å; I714-W718 HydrophobicContact CG2-CH2 3.33Å; I714-W718 HydrophobicContact CG2-CZ2 3.23Å; I714-W718 HydrophobicContact CG2-CZ3 3.57Å; I714-W718 PolarHBondContact O-N 2.93Å; L715-W718 PolarHBondContact O-N 3.45Å; W718-R720 VanDerWaalsContact C-N 3.35Å; W718-R720 PolarHBondContact O-N 3.44Å; W718-L721 PolarHBondContact O-N 2.83Å; W718-F722 PolarHBondContact O-N 3.32Å; W718-F773 HydrophobicContact CB-CE1 3.85Å; W718-F773 HydrophobicContact CB-CZ 4.08Å; W718-I774 HydrophobicContact CB-CD1 4.28Å; W718-I774 HydrophobicContact CE3-CD1 4.12Å; W718-M777 HydrophobicContact CD2-CB 3.73Å; W718-M777 HydrophobicContact CD2-CG 4.27Å; W718-M777 HydrophobicContact CE3-CB 3.68Å; W718-M777 HydrophobicContact CG-CB 4.47Å; W718-M777 HydrophobicContact CH2-CB 3.78Å; W718-M777 HydrophobicContact CZ2-CB 3.8Å; W718-M777 HydrophobicContact CZ3-CB 3.71Å; W718-S778 WeakPolarHBondContact CZ3-OG 3.45Å; W718-T781 WeakPolarHBondContact CZ2-OG1 3.15Å
719	S	90.8	Very high	90.6	Very high	4 Å²	4	47.7 Å²	47.7	3%	0.028	23%	0.226	C	C	.	.	H	α-helix	trans	-63.8	-39.7	178.3	-57.7	0	0	0	0	112.7	L715 R716 S717 F722 A723 Y770	L715-S719 VanDerWaalsContact O-CB 3.29Å; L715-S719 WeakPolarHBondContact O-CB 3.43Å; L715-S719 PolarHBondContact O-N 2.85Å; L715-S719 PolarHBondContact O-OG 3.24Å; R716-S719 PolarHBondContact O-N 3.11Å; S717-S719 VanDerWaalsContact C-N 3.34Å; S717-S719 PolarHBondContact O-N 2.6Å; S719-F722 PolarHBondContact O-N 3.47Å; S719-A723 VanDerWaalsContact O-CB 3.24Å; S719-A723 WeakPolarHBondContact O-CB 3.45Å; S719-A723 PolarHBondContact O-N 3.39Å; S719-Y770 PolarHBondContact OG-OH 3.19Å
720	R	89.4	Confident	90.5	Very high	103 Å²	103	46 Å²	46	39%	0.389	23%	0.227	S	C	.	.	H	α-helix	trans	-64.9	-41.8	174.5	-72.8	165.7	172.1	171	-13.9	111.8	R716 S717 W718 A723 S724	R716-R720 WeakPolarHBondContact O-CG 3.44Å; R716-R720 PolarHBondContact O-N 3.16Å; S717-R720 PolarHBondContact O-N 3.09Å; W718-R720 VanDerWaalsContact C-N 3.35Å; W718-R720 PolarHBondContact O-N 3.44Å; R720-A723 PolarHBondContact O-N 2.83Å; R720-S724 PolarHBondContact O-N 2.72Å; R720-S724 VanDerWaalsContact O-N 3.15Å
721	L	91.3	Very high	90.6	Very high	33 Å²	33	43.3 Å²	43.3	17%	0.173	23%	0.226	C	C	.	.	H	α-helix	trans	-63.3	-45.4	175.4	-70.6	174	0	0	0	111.1	L627 S717 W718 A723 S724 F725 I741 Q744 A745	L627-L721 HydrophobicContact CD2-CD1 4.32Å; S717-L721 PolarHBondContact O-N 3.24Å; W718-L721 PolarHBondContact O-N 2.83Å; L721-A723 VanDerWaalsContact C-N 3.34Å; L721-A723 PolarHBondContact O-N 2.94Å; L721-S724 PolarHBondContact O-N 3.16Å; L721-S724 PolarHBondContact O-OG 2.92Å; L721-F725 WeakPolarHBondContact O-CD2 3.27Å; L721-I741 HydrophobicContact CB-CG2 4.02Å; L721-Q744 HydrophobicContact CD2-CB 4.11Å; L721-A745 HydrophobicContact CD1-CB 3.88Å
722	F	93.3	Very high	90.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.9	-43	176.8	-170	-80.1	0	0	0	111.7	Y680 W718 S719 S724 F725 D726 V733 Y770 F773	Y680-F722 HydrophobicContact CD2-CD1 4.29Å; Y680-F722 HydrophobicContact CE1-CD1 4.37Å; Y680-F722 HydrophobicContact CE1-CE1 4.18Å; Y680-F722 AromaticContact CE2-CD1 3.43Å; Y680-F722 HydrophobicContact CE2-CD1 3.43Å; Y680-F722 VanDerWaalsContact CE2-CD1 3.43Å; Y680-F722 HydrophobicContact CE2-CE1 4.05Å; Y680-F722 HydrophobicContact CE2-CG 4.38Å; Y680-F722 AromaticContact CZ-CD1 3.5Å; Y680-F722 AromaticContact CZ-CE1 3.72Å; Y680-F722 WeakPolarHBondContact OH-CD1 3.42Å; W718-F722 PolarHBondContact O-N 3.32Å; S719-F722 PolarHBondContact O-N 3.47Å; F722-S724 VanDerWaalsContact C-N 3.27Å; F722-S724 PolarHBondContact O-N 3.39Å; F722-F725 PolarHBondContact O-N 3.2Å; F722-F725 VanDerWaalsContact O-N 3.11Å; F722-D726 HydrophobicContact CE1-CB 4.21Å; F722-D726 PolarHBondContact O-N 2.87Å; F722-V733 HydrophobicContact CD1-CG1 4.3Å; F722-V733 HydrophobicContact CD2-CG1 4.13Å; F722-V733 HydrophobicContact CD2-CG2 4.22Å; F722-V733 HydrophobicContact CE1-CG1 4.01Å; F722-V733 HydrophobicContact CE2-CB 4.33Å; F722-V733 HydrophobicContact CE2-CG1 3.84Å; F722-V733 HydrophobicContact CE2-CG2 3.7Å; F722-V733 HydrophobicContact CG-CG1 4.38Å; F722-V733 HydrophobicContact CZ-CB 4.48Å; F722-V733 HydrophobicContact CZ-CG1 3.79Å; F722-V733 HydrophobicContact CZ-CG2 4.27Å; F722-Y770 HydrophobicContact CB-CD2 4.26Å; F722-Y770 HydrophobicContact CB-CE2 4.47Å; F722-Y770 AromaticContact CD1-CD2 3.88Å; F722-Y770 HydrophobicContact CD1-CD2 3.88Å; F722-Y770 HydrophobicContact CD2-CD2 4.14Å; F722-Y770 HydrophobicContact CE1-CD2 4.17Å; F722-Y770 HydrophobicContact CE2-CD2 4.4Å; F722-Y770 AromaticContact CG-CD2 3.84Å; F722-Y770 HydrophobicContact CG-CD2 3.84Å; F722-Y770 HydrophobicContact CZ-CD2 4.39Å; F722-F773 HydrophobicContact CB-CD1 4.14Å; F722-F773 HydrophobicContact CB-CE1 3.82Å; F722-F773 HydrophobicContact CB-CZ 4.34Å; F722-F773 HydrophobicContact CD2-CB 3.92Å; F722-F773 AromaticContact CD2-CD1 3.48Å; F722-F773 HydrophobicContact CD2-CD1 3.48Å; F722-F773 VanDerWaalsContact CD2-CD1 3.48Å; F722-F773 HydrophobicContact CD2-CD2 4.1Å; F722-F773 AromaticContact CD2-CE1 3.96Å; F722-F773 HydrophobicContact CD2-CE1 3.96Å; F722-F773 AromaticContact CD2-CG 3.55Å; F722-F773 HydrophobicContact CD2-CG 3.55Å; F722-F773 HydrophobicContact CD2-CZ 4.46Å; F722-F773 HydrophobicContact CE2-CB 3.84Å; F722-F773 HydrophobicContact CE2-CD1 4.23Å; F722-F773 HydrophobicContact CE2-CG 4Å; F722-F773 HydrophobicContact CG-CD1 4.15Å; F722-F773 HydrophobicContact CG-CE1 4.32Å
723	A	91.4	Very high	90.8	Very high	26 Å²	26	45.6 Å²	45.6	22%	0.215	24%	0.237	C	C	.	.	H	α-helix	trans	-61.2	-30.5	179.4	0	0	0	0	0	114	P679 Y680 S719 R720 L721 F725 D726	P679-A723 HydrophobicContact CG-CB 3.6Å; Y680-A723 HydrophobicContact CE2-CB 4.03Å; S719-A723 VanDerWaalsContact O-CB 3.24Å; S719-A723 WeakPolarHBondContact O-CB 3.45Å; S719-A723 PolarHBondContact O-N 3.39Å; R720-A723 PolarHBondContact O-N 2.83Å; L721-A723 VanDerWaalsContact C-N 3.34Å; L721-A723 PolarHBondContact O-N 2.94Å; A723-F725 PolarHBondContact O-N 3.08Å; A723-D726 PolarHBondContact O-N 2.63Å
724	S	92	Very high	91.1	Very high	76 Å²	76	48 Å²	48	53%	0.531	25%	0.252	S	S	.	.	H	α-helix	trans	-69.5	-18.9	178	69.6	0	0	0	0	113.2	R720 L721 F722	R720-S724 PolarHBondContact O-N 2.72Å; R720-S724 VanDerWaalsContact O-N 3.15Å; L721-S724 PolarHBondContact O-N 3.16Å; L721-S724 PolarHBondContact O-OG 2.92Å; F722-S724 VanDerWaalsContact C-N 3.27Å; F722-S724 PolarHBondContact O-N 3.39Å
725	F	92.4	Very high	91.3	Very high	49 Å²	49	47.6 Å²	47.6	22%	0.215	25%	0.25	C	S	.	.	H	α-helix	trans	-103.8	-7.2	177.5	-70.2	-94	0	0	0	114	L721 F722 A723 P727 V733 D737 I740 I741	L721-F725 WeakPolarHBondContact O-CD2 3.27Å; F722-F725 PolarHBondContact O-N 3.2Å; F722-F725 VanDerWaalsContact O-N 3.11Å; A723-F725 PolarHBondContact O-N 3.08Å; F725-P727 VanDerWaalsContact C-CD 3.43Å; F725-P727 WeakPolarHBondContact O-CD 3.37Å; F725-V733 HydrophobicContact CB-CG1 3.96Å; F725-D737 HydrophobicContact CB-CB 4.27Å; F725-D737 HydrophobicContact CD1-CB 3.83Å; F725-D737 HydrophobicContact CG-CB 4.28Å; F725-I740 HydrophobicContact CE1-CB 4.04Å; F725-I740 HydrophobicContact CE1-CD1 4.11Å; F725-I740 HydrophobicContact CE1-CG2 3.9Å; F725-I740 HydrophobicContact CZ-CB 3.97Å; F725-I740 HydrophobicContact CZ-CG2 3.48Å; F725-I740 VanDerWaalsContact CZ-CG2 3.48Å; F725-I741 HydrophobicContact CB-CD1 4.1Å; F725-I741 HydrophobicContact CD2-CD1 3.82Å; F725-I741 HydrophobicContact CD2-CG1 3.4Å; F725-I741 HydrophobicContact CE2-CG1 3.63Å; F725-I741 HydrophobicContact CG-CD1 4.03Å; F725-I741 HydrophobicContact CG-CG1 3.99Å; F725-I741 HydrophobicContact CZ-CG1 4.38Å
726	D	92.9	Very high	91.6	Very high	6 Å²	6	49.4 Å²	49.4	3%	0.032	26%	0.26	C	S	.	.			trans	-125.5	67.3	174.7	177.5	31.8	0	0	0	111	Y680 F722 A723 Q728 R729 T730 A731 V733	Y680-D726 WeakPolarHBondContact OH-CB 3.32Å; Y680-D726 PolarHBondContact OH-OD2 3.25Å; Y680-D726 VanDerWaalsContact OH-OD2 3.1Å; F722-D726 HydrophobicContact CE1-CB 4.21Å; F722-D726 PolarHBondContact O-N 2.87Å; A723-D726 PolarHBondContact O-N 2.63Å; D726-Q728 PolarHBondContact O-N 3.22Å; D726-Q728 VanDerWaalsContact O-N 3.16Å; D726-R729 PolarHBondContact O-N 3.45Å; D726-R729 PolarHBondContact OD1-N 2.76Å; D726-R729 VanDerWaalsContact OD1-N 3.15Å; D726-R729 VanDerWaalsContact OD2-C 3.31Å; D726-R729 VanDerWaalsContact OD2-CA 3.31Å; D726-R729 WeakPolarHBondContact OD2-CA 3.24Å; D726-T730 VanDerWaalsContact CG-N 3.26Å; D726-T730 PolarHBondContact OD1-N 3.1Å; D726-T730 PolarHBondContact OD1-OG1 2.85Å; D726-T730 PolarHBondContact OD2-N 3.24Å; D726-A731 WeakPolarHBondContact OD2-CA 2.8Å; D726-A731 PolarHBondContact OD2-N 2.88Å; D726-V733 HydrophobicContact CB-CG1 4.17Å
727	P	88.5	Confident	91.9	Very high	109 Å²	109	49.8 Å²	49.8	71%	0.708	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-21.4	-179	27.3	-35.4	0	0	0	112.7	F725 R729	F725-P727 VanDerWaalsContact C-CD 3.43Å; F725-P727 WeakPolarHBondContact O-CD 3.37Å; P727-R729 VanDerWaalsContact C-N 3.32Å
728	Q	88	Confident	92.2	Very high	165 Å²	165	49.2 Å²	49.2	77%	0.771	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-4.8	178.2	-66.4	-176.7	5.8	0	0	112.9	D726 T730	D726-Q728 PolarHBondContact O-N 3.22Å; D726-Q728 VanDerWaalsContact O-N 3.16Å; Q728-T730 VanDerWaalsContact C-N 3.26Å; Q728-T730 HydrophobicContact CB-CG2 3.79Å; Q728-T730 PolarHBondContact O-N 2.92Å
729	R	87	Confident	92.3	Very high	168 Å²	168	49.3 Å²	49.3	63%	0.634	26%	0.26	S	S	*	.			trans	54.7	42.1	-179.4	-54.3	-175.7	-178.7	-162.1	-0.5	112.8	P679 D726 P727 A731	P679-R729 HydrophobicContact CB-CG 4.34Å; D726-R729 PolarHBondContact O-N 3.45Å; D726-R729 PolarHBondContact OD1-N 2.76Å; D726-R729 VanDerWaalsContact OD1-N 3.15Å; D726-R729 VanDerWaalsContact OD2-C 3.31Å; D726-R729 VanDerWaalsContact OD2-CA 3.31Å; D726-R729 WeakPolarHBondContact OD2-CA 3.24Å; P727-R729 VanDerWaalsContact C-N 3.32Å; R729-A731 PolarHBondContact O-N 3.18Å
730	T	89.7	Confident	92.5	Very high	59 Å²	59	50.2 Å²	50.2	36%	0.362	26%	0.264	S	S	.	.			trans	-77.3	-5	176.2	65	0	0	0	0	113.4	D726 Q728 H732	D726-T730 VanDerWaalsContact CG-N 3.26Å; D726-T730 PolarHBondContact OD1-N 3.1Å; D726-T730 PolarHBondContact OD1-OG1 2.85Å; D726-T730 PolarHBondContact OD2-N 3.24Å; Q728-T730 VanDerWaalsContact C-N 3.26Å; Q728-T730 HydrophobicContact CB-CG2 3.79Å; Q728-T730 PolarHBondContact O-N 2.92Å; T730-H732 WeakPolarHBondContact CB-CE1 3.18Å; T730-H732 WeakPolarHBondContact CB-ND1 3.16Å; T730-H732 PolarHBondContact O-N 3.08Å; T730-H732 PolarHBondContact O-ND1 3.33Å; T730-H732 PolarHBondContact OG1-CE1 2.78Å; T730-H732 PolarHBondContact OG1-ND1 2.98Å; T730-H732 PolarHBondContact OG1-O 3.44Å
731	A	90.9	Very high	92.8	Very high	43 Å²	43	45.3 Å²	45.3	36%	0.355	25%	0.245	S	C	.	.	S	Bend	trans	63.5	21	-178.1	0	0	0	0	0	114.4	Y680 D726 R729 D769 Y770	Y680-A731 HydrophobicContact CD1-CB 4.39Å; Y680-A731 HydrophobicContact CE1-CB 4.49Å; D726-A731 WeakPolarHBondContact OD2-CA 2.8Å; D726-A731 PolarHBondContact OD2-N 2.88Å; R729-A731 PolarHBondContact O-N 3.18Å; A731-D769 VanDerWaalsContact O-CA 3.31Å; A731-D769 WeakPolarHBondContact O-CA 3.39Å; A731-Y770 PolarHBondContact O-N 2.64Å
732	H	93.5	Very high	92.9	Very high	50 Å²	50	43.8 Å²	43.8	23%	0.231	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	155	174.2	64.5	-86.9	0	0	0	112.2	T730 R767 L768	T730-H732 WeakPolarHBondContact CB-CE1 3.18Å; T730-H732 WeakPolarHBondContact CB-ND1 3.16Å; T730-H732 PolarHBondContact O-N 3.08Å; T730-H732 PolarHBondContact O-ND1 3.33Å; T730-H732 PolarHBondContact OG1-CE1 2.78Å; T730-H732 PolarHBondContact OG1-ND1 2.98Å; T730-H732 PolarHBondContact OG1-O 3.44Å; H732-R767 HydrophobicContact CB-CB 4.47Å; H732-R767 VanDerWaalsContact CD2-CD 3.43Å; H732-R767 WeakPolarHBondContact CD2-CD 3.23Å; H732-R767 PolarHBondContact NE2-NH1 3.34Å; H732-L768 CarbonylContact C-O 3.54Å; H732-L768 WeakPolarHBondContact CA-O 3.32Å; H732-L768 WeakPolarHBondContact CB-O 3.42Å
733	V	95.1	Very high	92.9	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.018	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	160.5	173.9	-63.7	0	0	0	0	110.1	F722 F725 D726 D737 F738 I741 R767 L768	F722-V733 HydrophobicContact CD1-CG1 4.3Å; F722-V733 HydrophobicContact CD2-CG1 4.13Å; F722-V733 HydrophobicContact CD2-CG2 4.22Å; F722-V733 HydrophobicContact CE1-CG1 4.01Å; F722-V733 HydrophobicContact CE2-CB 4.33Å; F722-V733 HydrophobicContact CE2-CG1 3.84Å; F722-V733 HydrophobicContact CE2-CG2 3.7Å; F722-V733 HydrophobicContact CG-CG1 4.38Å; F722-V733 HydrophobicContact CZ-CB 4.48Å; F722-V733 HydrophobicContact CZ-CG1 3.79Å; F722-V733 HydrophobicContact CZ-CG2 4.27Å; F725-V733 HydrophobicContact CB-CG1 3.96Å; D726-V733 HydrophobicContact CB-CG1 4.17Å; V733-D737 HydrophobicContact CB-CB 4Å; V733-F738 HydrophobicContact CG2-CB 4.43Å; V733-I741 HydrophobicContact CG1-CD1 4.28Å; V733-I741 HydrophobicContact CG2-CD1 4.17Å; V733-R767 CarbonylContact O-C 3.56Å; V733-R767 WeakPolarHBondContact O-CA 3.37Å; V733-L768 HydrophobicContact CG2-CB 4.19Å; V733-L768 PolarHBondContact N-O 2.83Å; V733-L768 PolarHBondContact O-N 2.98Å
734	T	95.5	Very high	92.9	Very high	59 Å²	59	49.8 Å²	49.8	36%	0.362	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	160.9	174.4	72.8	0	0	0	0	111.1	L736 D737 F738 W766	T734-L736 PolarHBondContact O-N 3.25Å; T734-D737 WeakPolarHBondContact CB-OD2 3.42Å; T734-D737 WeakPolarHBondContact CG2-OD2 3.35Å; T734-D737 PolarHBondContact N-OD2 2.86Å; T734-D737 PolarHBondContact O-N 2.83Å; T734-D737 VanDerWaalsContact O-N 3.17Å; T734-D737 PolarHBondContact OG1-N 3.48Å; T734-D737 VanDerWaalsContact OG1-N 3.13Å; T734-D737 PolarHBondContact OG1-OD2 2.67Å; T734-F738 PolarHBondContact O-N 2.93Å; T734-W766 CarbonylContact C-O 3.57Å
735	S	95.9	Very high	92.9	Very high	5 Å²	5	46.1 Å²	46.1	4%	0.035	24%	0.236	C	C	.	.	H	α-helix	trans	-61.6	-27.9	175.4	69.3	0	0	0	0	113.3	G479 R739 W766	G479-S735 WeakPolarHBondContact CA-OG 3.27Å; G479-S735 VanDerWaalsContact O-CB 3.32Å; G479-S735 WeakPolarHBondContact O-CB 3.32Å; G479-S735 PolarHBondContact O-OG 3.27Å; S735-R739 PolarHBondContact O-N 3.28Å; S735-W766 PolarHBondContact N-O 2.91Å
736	L	95.1	Very high	92.9	Very high	38 Å²	38	43.9 Å²	43.9	20%	0.199	23%	0.226	C	C	.	.	H	α-helix	trans	-74.7	-40.3	174.2	-68	-176.7	0	0	0	111.7	W493 A494 T734 F738 R739 I740	W493-L736 HydrophobicContact CZ2-CB 4.24Å; A494-L736 HydrophobicContact CB-CD2 3.75Å; T734-L736 PolarHBondContact O-N 3.25Å; L736-F738 VanDerWaalsContact C-N 3.3Å; L736-F738 PolarHBondContact O-N 3.34Å; L736-R739 WeakPolarHBondContact O-CB 3.32Å; L736-R739 PolarHBondContact O-N 3.08Å; L736-I740 WeakPolarHBondContact O-CG1 3.5Å; L736-I740 PolarHBondContact O-N 3.08Å
737	D	95.4	Very high	92.9	Very high	31 Å²	31	44.1 Å²	44.1	17%	0.166	23%	0.227	C	C	.	.	H	α-helix	trans	-62.3	-41.5	172.5	-60.6	-43	0	0	0	110.5	F725 V733 T734 R739 I740 I741	F725-D737 HydrophobicContact CB-CB 4.27Å; F725-D737 HydrophobicContact CD1-CB 3.83Å; F725-D737 HydrophobicContact CG-CB 4.28Å; V733-D737 HydrophobicContact CB-CB 4Å; T734-D737 WeakPolarHBondContact CB-OD2 3.42Å; T734-D737 WeakPolarHBondContact CG2-OD2 3.35Å; T734-D737 PolarHBondContact N-OD2 2.86Å; T734-D737 PolarHBondContact O-N 2.83Å; T734-D737 VanDerWaalsContact O-N 3.17Å; T734-D737 PolarHBondContact OG1-N 3.48Å; T734-D737 VanDerWaalsContact OG1-N 3.13Å; T734-D737 PolarHBondContact OG1-OD2 2.67Å; D737-R739 VanDerWaalsContact C-N 3.25Å; D737-R739 PolarHBondContact O-N 3.21Å; D737-I740 PolarHBondContact O-N 2.76Å; D737-I741 VanDerWaalsContact O-CG1 3.31Å; D737-I741 WeakPolarHBondContact O-CG1 3.48Å; D737-I741 PolarHBondContact O-N 3.29Å
738	F	96.4	Very high	93.1	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-55.9	-40.6	174.6	176.1	-137.2	0	0	0	112.1	V733 T734 L736 I740 I741 V742 F754 L757 L768 F773 A776 M777	V733-F738 HydrophobicContact CG2-CB 4.43Å; T734-F738 PolarHBondContact O-N 2.93Å; L736-F738 VanDerWaalsContact C-N 3.3Å; L736-F738 PolarHBondContact O-N 3.34Å; F738-I740 PolarHBondContact O-N 3.3Å; F738-I741 PolarHBondContact O-N 2.98Å; F738-V742 HydrophobicContact CD2-CG2 3.77Å; F738-V742 HydrophobicContact CE2-CG2 3.32Å; F738-V742 HydrophobicContact CZ-CG2 3.76Å; F738-V742 VanDerWaalsContact O-CG2 3.31Å; F738-V742 WeakPolarHBondContact O-CG2 3.44Å; F738-V742 PolarHBondContact O-N 3.43Å; F738-F754 HydrophobicContact CB-CZ 4.42Å; F738-F754 HydrophobicContact CD1-CE1 4.44Å; F738-F754 AromaticContact CD1-CE2 3.82Å; F738-F754 HydrophobicContact CD1-CE2 3.82Å; F738-F754 AromaticContact CD1-CZ 3.44Å; F738-F754 HydrophobicContact CD1-CZ 3.44Å; F738-F754 VanDerWaalsContact CD1-CZ 3.44Å; F738-F754 AromaticContact CE1-CE2 3.82Å; F738-F754 HydrophobicContact CE1-CE2 3.82Å; F738-F754 AromaticContact CE1-CZ 3.88Å; F738-F754 HydrophobicContact CE1-CZ 3.88Å; F738-F754 HydrophobicContact CG-CE2 4.4Å; F738-F754 HydrophobicContact CG-CZ 4.04Å; F738-F754 HydrophobicContact CZ-CE2 4.39Å; F738-L757 HydrophobicContact CE1-CB 4.14Å; F738-L768 HydrophobicContact CB-CD2 3.93Å; F738-L768 HydrophobicContact CD1-CD2 3.68Å; F738-L768 HydrophobicContact CD2-CD2 3.39Å; F738-L768 HydrophobicContact CE1-CD2 3.98Å; F738-L768 HydrophobicContact CE2-CD2 3.71Å; F738-L768 HydrophobicContact CG-CD2 3.38Å; F738-L768 HydrophobicContact CZ-CD2 4Å; F738-F773 AromaticContact CD2-CD2 3.89Å; F738-F773 HydrophobicContact CD2-CD2 3.89Å; F738-F773 HydrophobicContact CD2-CE2 4.25Å; F738-F773 AromaticContact CE2-CD2 3.84Å; F738-F773 HydrophobicContact CE2-CD2 3.84Å; F738-F773 HydrophobicContact CE2-CE2 4.19Å; F738-A776 HydrophobicContact CE2-CB 4.4Å; F738-A776 HydrophobicContact CZ-CB 3.81Å; F738-M777 HydrophobicContact CE2-SD 4.36Å
739	R	94.7	Very high	93.3	Very high	9 Å²	9	32.8 Å²	32.8	3%	0.034	17%	0.166	C	C	.	.	H	α-helix	trans	-60.8	-46.3	175	-178.6	178.2	165	-171.4	-8	111.6	V480 W493 A494 S735 L736 D737 I741 V742 E743 H751 F754	V480-R739 PolarHBondContact O-NH1 2.86Å; W493-R739 HydrophobicContact CH2-CG 4.49Å; A494-R739 PolarHBondContact O-NH1 3.21Å; S735-R739 PolarHBondContact O-N 3.28Å; L736-R739 WeakPolarHBondContact O-CB 3.32Å; L736-R739 PolarHBondContact O-N 3.08Å; D737-R739 VanDerWaalsContact C-N 3.25Å; D737-R739 PolarHBondContact O-N 3.21Å; R739-I741 VanDerWaalsContact C-N 3.31Å; R739-I741 PolarHBondContact O-N 3.29Å; R739-V742 PolarHBondContact O-N 3.13Å; R739-E743 WeakPolarHBondContact CG-OE1 3.39Å; R739-E743 IonicContact CZ-OE1 3.47Å; R739-E743 IonicContact NE-OE1 3.67Å; R739-E743 PolarHBondContact NE-OE1 3.47Å; R739-E743 IonicContact NH2-OE1 2.94Å; R739-E743 WeakPolarHBondContact O-CG 3.34Å; R739-E743 PolarHBondContact O-N 3.46Å; R739-H751 PolarHBondContact NH1-NE2 3.35Å; R739-H751 VanDerWaalsContact NH1-NE2 3.14Å; R739-H751 PolarHBondContact NH2-NE2 2.82Å; R739-F754 HydrophobicContact CB-CD1 4.48Å; R739-F754 HydrophobicContact CB-CE1 3.72Å; R739-F754 HydrophobicContact CB-CE2 4.08Å; R739-F754 HydrophobicContact CB-CZ 3.5Å; R739-F754 HydrophobicContact CG-CE1 4.29Å; R739-F754 HydrophobicContact CG-CE2 4.46Å; R739-F754 HydrophobicContact CG-CZ 4.23Å
740	I	94	Very high	93.6	Very high	22 Å²	22	25.6 Å²	25.6	11%	0.113	14%	0.141	C	C	.	.	H	α-helix	trans	-63.2	-41.5	178.6	-56.7	170.4	0	0	0	110.1	W493 F725 L736 D737 F738 V742 E743 Q744	W493-I740 HydrophobicContact CH2-CD1 3.92Å; W493-I740 HydrophobicContact CH2-CG1 3.44Å; W493-I740 VanDerWaalsContact CH2-CG1 3.44Å; W493-I740 HydrophobicContact CZ2-CD1 3.66Å; W493-I740 HydrophobicContact CZ2-CG1 3.75Å; W493-I740 HydrophobicContact CZ3-CG1 4.27Å; F725-I740 HydrophobicContact CE1-CB 4.04Å; F725-I740 HydrophobicContact CE1-CD1 4.11Å; F725-I740 HydrophobicContact CE1-CG2 3.9Å; F725-I740 HydrophobicContact CZ-CB 3.97Å; F725-I740 HydrophobicContact CZ-CG2 3.48Å; F725-I740 VanDerWaalsContact CZ-CG2 3.48Å; L736-I740 WeakPolarHBondContact O-CG1 3.5Å; L736-I740 PolarHBondContact O-N 3.08Å; D737-I740 PolarHBondContact O-N 2.76Å; F738-I740 PolarHBondContact O-N 3.3Å; I740-V742 VanDerWaalsContact C-N 3.35Å; I740-V742 PolarHBondContact O-N 3.01Å; I740-E743 PolarHBondContact O-N 3.19Å; I740-Q744 HydrophobicContact CG2-CG 4.28Å; I740-Q744 WeakPolarHBondContact O-CB 3.29Å; I740-Q744 WeakPolarHBondContact O-CG 3.27Å; I740-Q744 PolarHBondContact O-N 3.33Å
741	I	95	Very high	93.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.5	-43.4	177.6	-67.5	163.2	0	0	0	111	L721 F725 V733 D737 F738 R739 Q744 A745 F773	L721-I741 HydrophobicContact CB-CG2 4.02Å; F725-I741 HydrophobicContact CB-CD1 4.1Å; F725-I741 HydrophobicContact CD2-CD1 3.82Å; F725-I741 HydrophobicContact CD2-CG1 3.4Å; F725-I741 HydrophobicContact CE2-CG1 3.63Å; F725-I741 HydrophobicContact CG-CD1 4.03Å; F725-I741 HydrophobicContact CG-CG1 3.99Å; F725-I741 HydrophobicContact CZ-CG1 4.38Å; V733-I741 HydrophobicContact CG1-CD1 4.28Å; V733-I741 HydrophobicContact CG2-CD1 4.17Å; D737-I741 VanDerWaalsContact O-CG1 3.31Å; D737-I741 WeakPolarHBondContact O-CG1 3.48Å; D737-I741 PolarHBondContact O-N 3.29Å; F738-I741 PolarHBondContact O-N 2.98Å; R739-I741 VanDerWaalsContact C-N 3.31Å; R739-I741 PolarHBondContact O-N 3.29Å; I741-Q744 PolarHBondContact O-N 2.74Å; I741-A745 VanDerWaalsContact O-CB 3.29Å; I741-A745 WeakPolarHBondContact O-CB 3.26Å; I741-A745 PolarHBondContact O-N 2.88Å; I741-F773 HydrophobicContact CB-CE2 4.49Å; I741-F773 HydrophobicContact CG2-CE2 3.46Å; I741-F773 VanDerWaalsContact CG2-CE2 3.46Å; I741-F773 HydrophobicContact CG2-CZ 3.67Å
742	V	94.8	Very high	93.9	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.012	14%	0.135	C	C	.	.	H	α-helix	trans	-63.2	-42.8	177.2	170.4	0	0	0	0	111.1	F738 R739 I740 A745 G746 Y747 L749 F754 M777 I780	F738-V742 HydrophobicContact CD2-CG2 3.77Å; F738-V742 HydrophobicContact CE2-CG2 3.32Å; F738-V742 HydrophobicContact CZ-CG2 3.76Å; F738-V742 VanDerWaalsContact O-CG2 3.31Å; F738-V742 WeakPolarHBondContact O-CG2 3.44Å; F738-V742 PolarHBondContact O-N 3.43Å; R739-V742 PolarHBondContact O-N 3.13Å; I740-V742 VanDerWaalsContact C-N 3.35Å; I740-V742 PolarHBondContact O-N 3.01Å; V742-A745 PolarHBondContact O-N 2.94Å; V742-G746 PolarHBondContact O-N 2.62Å; V742-Y747 CarbonylContact C-O 3.56Å; V742-Y747 PolarHBondContact O-N 3.19Å; V742-L749 HydrophobicContact CG1-CD1 3.93Å; V742-L749 HydrophobicContact CG1-CG 4.23Å; V742-F754 HydrophobicContact CB-CE2 4.34Å; V742-F754 HydrophobicContact CG2-CE2 4.11Å; V742-M777 HydrophobicContact CG2-SD 3.82Å; V742-I780 HydrophobicContact CG1-CD1 4.41Å; V742-I780 HydrophobicContact CG2-CD1 4.32Å
743	E	91.8	Very high	94	Very high	48 Å²	48	26.4 Å²	26.4	22%	0.224	14%	0.141	C	C	.	.	H	α-helix	trans	-63.3	-43.8	174.9	-70.5	170.4	-173.6	0	0	111.3	R739 I740 A745 G746 Y747	R739-E743 WeakPolarHBondContact CG-OE1 3.39Å; R739-E743 IonicContact CZ-OE1 3.47Å; R739-E743 IonicContact NE-OE1 3.67Å; R739-E743 PolarHBondContact NE-OE1 3.47Å; R739-E743 IonicContact NH2-OE1 2.94Å; R739-E743 WeakPolarHBondContact O-CG 3.34Å; R739-E743 PolarHBondContact O-N 3.46Å; I740-E743 PolarHBondContact O-N 3.19Å; E743-A745 VanDerWaalsContact C-N 3.34Å; E743-A745 PolarHBondContact O-N 3.09Å; E743-G746 WeakPolarHBondContact O-CA 3.43Å; E743-G746 PolarHBondContact O-N 2.99Å; E743-Y747 WeakPolarHBondContact CA-O 3.45Å
744	Q	91.8	Very high	94	Very high	103 Å²	103	26.4 Å²	26.4	48%	0.481	14%	0.141	S	C	.	.	H	α-helix	trans	-68.4	-30.4	176	-73.1	-176.6	4.7	0	0	113.4	L721 I740 I741 G746	L721-Q744 HydrophobicContact CD2-CB 4.11Å; I740-Q744 HydrophobicContact CG2-CG 4.28Å; I740-Q744 WeakPolarHBondContact O-CB 3.29Å; I740-Q744 WeakPolarHBondContact O-CG 3.27Å; I740-Q744 PolarHBondContact O-N 3.33Å; I741-Q744 PolarHBondContact O-N 2.74Å; Q744-G746 PolarHBondContact O-N 2.98Å
745	A	93	Very high	94	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-3	169.6	0	0	0	0	0	112.3	L627 A628 L721 I741 V742 E743 Y747 M777	L627-A745 WeakPolarHBondContact CB-O 3.08Å; L627-A745 HydrophobicContact CD2-CB 4.34Å; A628-A745 WeakPolarHBondContact CB-O 3.44Å; A628-A745 PolarHBondContact N-O 3.19Å; L721-A745 HydrophobicContact CD1-CB 3.88Å; I741-A745 VanDerWaalsContact O-CB 3.29Å; I741-A745 WeakPolarHBondContact O-CB 3.26Å; I741-A745 PolarHBondContact O-N 2.88Å; V742-A745 PolarHBondContact O-N 2.94Å; E743-A745 VanDerWaalsContact C-N 3.34Å; E743-A745 PolarHBondContact O-N 3.09Å; A745-Y747 HydrophobicContact CB-CD2 4.12Å; A745-Y747 HydrophobicContact CB-CE2 4.4Å; A745-M777 HydrophobicContact CB-CE 3.48Å; A745-M777 VanDerWaalsContact CB-CE 3.48Å
746	G	92.3	Very high	93.9	Very high	1 Å²	1	31 Å²	31	1%	0.01	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.1	14.2	172.9	0	0	0	0	0	114.8	L624 S625 A628 V742 E743 Q744	L624-G746 CarbonylContact C-O 3.57Å; L624-G746 WeakPolarHBondContact CA-O 3.47Å; S625-G746 PolarHBondContact N-O 3.28Å; S625-G746 WeakPolarHBondContact O-CA 3.31Å; A628-G746 WeakPolarHBondContact CB-O 3.49Å; V742-G746 PolarHBondContact O-N 2.62Å; E743-G746 WeakPolarHBondContact O-CA 3.43Å; E743-G746 PolarHBondContact O-N 2.99Å; Q744-G746 PolarHBondContact O-N 2.98Å
747	Y	93.1	Very high	94	Very high	11 Å²	11	29.8 Å²	29.8	4%	0.043	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	110.6	177.4	-59.3	-78.9	0	0	0	110.4	L624 A628 V742 E743 A745 M777 I780 T781 V784	L624-Y747 HydrophobicContact CD2-CD1 3.52Å; L624-Y747 HydrophobicContact CD2-CE1 3.74Å; A628-Y747 HydrophobicContact CB-CD1 3.87Å; A628-Y747 HydrophobicContact CB-CD2 4.12Å; A628-Y747 HydrophobicContact CB-CE1 3.5Å; A628-Y747 HydrophobicContact CB-CE2 3.78Å; A628-Y747 HydrophobicContact CB-CG 4.16Å; A628-Y747 VanDerWaalsContact CB-CZ 3.44Å; V742-Y747 CarbonylContact C-O 3.56Å; V742-Y747 PolarHBondContact O-N 3.19Å; E743-Y747 WeakPolarHBondContact CA-O 3.45Å; A745-Y747 HydrophobicContact CB-CD2 4.12Å; A745-Y747 HydrophobicContact CB-CE2 4.4Å; Y747-M777 HydrophobicContact CD2-CE 4.08Å; Y747-M777 HydrophobicContact CE2-CE 3.93Å; Y747-I780 HydrophobicContact CD1-CG2 3.64Å; Y747-I780 HydrophobicContact CD2-CG2 4.17Å; Y747-I780 HydrophobicContact CE1-CG2 3.81Å; Y747-I780 HydrophobicContact CE2-CG2 4.31Å; Y747-I780 HydrophobicContact CG-CG2 3.84Å; Y747-T781 WeakPolarHBondContact OH-CB 3.26Å; Y747-T781 WeakPolarHBondContact OH-CG2 3.29Å; Y747-T781 PolarHBondContact OH-OG1 2.82Å; Y747-V784 HydrophobicContact CD1-CG2 4.42Å; Y747-V784 HydrophobicContact CE1-CG2 4.07Å
748	T	91.8	Very high	94	Very high	24 Å²	24	28.4 Å²	28.4	15%	0.147	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	114.1	167.8	-53.1	0	0	0	0	108	L619 V622 E623	L619-T748 HydrophobicContact CD2-CG2 4.04Å; V622-T748 VanDerWaalsContact CA-O 3.31Å; V622-T748 WeakPolarHBondContact CA-O 3.38Å; E623-T748 PolarHBondContact N-O 3.01Å; E623-T748 PolarHBondContact O-N 2.86Å
749	L	93.5	Very high	94	Very high	13 Å²	13	34.2 Å²	34.2	7%	0.068	18%	0.175	C	C	.	.			trans	-115.1	136.1	-175.8	-56.4	-177.4	0	0	0	111.4	L619 V622 V742 L753 F754 L757 I780	L619-L749 WeakPolarHBondContact CD2-O 3.49Å; V622-L749 HydrophobicContact CG1-CD2 3.93Å; V622-L749 HydrophobicContact CG2-CD2 4.02Å; V742-L749 HydrophobicContact CG1-CD1 3.93Å; V742-L749 HydrophobicContact CG1-CG 4.23Å; L749-L753 HydrophobicContact CD2-CD2 4.12Å; L749-F754 HydrophobicContact CB-CB 4.4Å; L749-F754 HydrophobicContact CD1-CD2 4.38Å; L749-L757 HydrophobicContact CD1-CD1 3.69Å; L749-I780 HydrophobicContact CD1-CD1 4.3Å
750	P	93.2	Very high	94	Very high	16 Å²	16	41.2 Å²	41.2	10%	0.104	20%	0.201	C	C	.	.			trans	-54.3	144	170.5	-26.4	35.2	0	0	0	111.8	T752 L753 F754	P750-T752 PolarHBondContact O-N 3.35Å; P750-T752 VanDerWaalsContact O-N 3.12Å; P750-L753 WeakPolarHBondContact O-CA 3.32Å; P750-L753 WeakPolarHBondContact O-CB 3.28Å; P750-L753 PolarHBondContact O-N 3.17Å; P750-F754 PolarHBondContact O-N 3.24Å
751	H	94.2	Very high	94.1	Very high	20 Å²	20	41.3 Å²	41.3	9%	0.093	20%	0.201	C	C	.	.	H	α-helix	trans	-55.4	-36.2	-177	-68.1	174.7	0	0	0	113.1	L477 V480 S481 R739 L753 S755	L477-H751 HydrophobicContact CD1-CB 4.41Å; V480-H751 HydrophobicContact CG1-CB 3.96Å; S481-H751 WeakPolarHBondContact CB-ND1 2.96Å; R739-H751 PolarHBondContact NH1-NE2 3.35Å; R739-H751 VanDerWaalsContact NH1-NE2 3.14Å; R739-H751 PolarHBondContact NH2-NE2 2.82Å; H751-L753 VanDerWaalsContact C-N 3.35Å; H751-S755 WeakPolarHBondContact O-CB 3.25Å; H751-S755 PolarHBondContact O-N 3.03Å
752	T	92.7	Very high	94.1	Very high	82 Å²	82	42.2 Å²	42.2	50%	0.503	21%	0.207	S	C	.	.	H	α-helix	trans	-65.4	-37.5	177.2	53	0	0	0	0	112.1	P750 S755	P750-T752 PolarHBondContact O-N 3.35Å; P750-T752 VanDerWaalsContact O-N 3.12Å; T752-S755 PolarHBondContact O-OG 3.12Å
753	L	93.7	Very high	94.1	Very high	67 Å²	67	45.7 Å²	45.7	35%	0.351	23%	0.225	S	C	.	.	H	α-helix	trans	-73.6	-47.3	176	-177.5	60	0	0	0	110.8	V622 L749 P750 H751 S755 K756	V622-L753 HydrophobicContact CG2-CD2 3.78Å; L749-L753 HydrophobicContact CD2-CD2 4.12Å; P750-L753 WeakPolarHBondContact O-CA 3.32Å; P750-L753 WeakPolarHBondContact O-CB 3.28Å; P750-L753 PolarHBondContact O-N 3.17Å; H751-L753 VanDerWaalsContact C-N 3.35Å; L753-S755 PolarHBondContact O-N 3.38Å; L753-K756 HydrophobicContact CD1-CD 4.35Å; L753-K756 WeakPolarHBondContact O-CB 2.84Å; L753-K756 PolarHBondContact O-N 2.92Å
754	F	95.6	Very high	94.1	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.018	25%	0.252	C	S	.	.	H	α-helix	trans	-59.1	-35.8	177.5	-172	-98.4	0	0	0	112	V480 F738 R739 V742 L749 P750 K756 L757 V758	V480-F754 HydrophobicContact CB-CD1 4.33Å; V480-F754 HydrophobicContact CG1-CD1 3.82Å; V480-F754 HydrophobicContact CG2-CD1 3.85Å; V480-F754 HydrophobicContact CG2-CE1 4.31Å; F738-F754 HydrophobicContact CB-CZ 4.42Å; F738-F754 HydrophobicContact CD1-CE1 4.44Å; F738-F754 AromaticContact CD1-CE2 3.82Å; F738-F754 HydrophobicContact CD1-CE2 3.82Å; F738-F754 AromaticContact CD1-CZ 3.44Å; F738-F754 HydrophobicContact CD1-CZ 3.44Å; F738-F754 VanDerWaalsContact CD1-CZ 3.44Å; F738-F754 AromaticContact CE1-CE2 3.82Å; F738-F754 HydrophobicContact CE1-CE2 3.82Å; F738-F754 AromaticContact CE1-CZ 3.88Å; F738-F754 HydrophobicContact CE1-CZ 3.88Å; F738-F754 HydrophobicContact CG-CE2 4.4Å; F738-F754 HydrophobicContact CG-CZ 4.04Å; F738-F754 HydrophobicContact CZ-CE2 4.39Å; R739-F754 HydrophobicContact CB-CD1 4.48Å; R739-F754 HydrophobicContact CB-CE1 3.72Å; R739-F754 HydrophobicContact CB-CE2 4.08Å; R739-F754 HydrophobicContact CB-CZ 3.5Å; R739-F754 HydrophobicContact CG-CE1 4.29Å; R739-F754 HydrophobicContact CG-CE2 4.46Å; R739-F754 HydrophobicContact CG-CZ 4.23Å; V742-F754 HydrophobicContact CB-CE2 4.34Å; V742-F754 HydrophobicContact CG2-CE2 4.11Å; L749-F754 HydrophobicContact CB-CB 4.4Å; L749-F754 HydrophobicContact CD1-CD2 4.38Å; P750-F754 PolarHBondContact O-N 3.24Å; F754-K756 PolarHBondContact O-N 3.15Å; F754-L757 HydrophobicContact CD2-CD1 4.13Å; F754-L757 WeakPolarHBondContact O-CB 3.33Å; F754-L757 PolarHBondContact O-N 2.99Å; F754-V758 HydrophobicContact CD1-CG2 3.79Å; F754-V758 HydrophobicContact CE1-CG2 3.39Å; F754-V758 HydrophobicContact CZ-CG2 4.05Å; F754-V758 PolarHBondContact O-N 2.81Å
755	S	95.3	Very high	94.1	Very high	17 Å²	17	50 Å²	50	12%	0.119	26%	0.258	C	S	.	.	H	α-helix	trans	-60.2	-27.5	175	76.7	0	0	0	0	114.1	H751 T752 L753 V758 N759	H751-S755 WeakPolarHBondContact O-CB 3.25Å; H751-S755 PolarHBondContact O-N 3.03Å; T752-S755 PolarHBondContact O-OG 3.12Å; L753-S755 PolarHBondContact O-N 3.38Å; S755-V758 PolarHBondContact O-N 3.35Å; S755-N759 WeakPolarHBondContact O-CB 3.43Å; S755-N759 PolarHBondContact O-N 2.87Å; S755-N759 PolarHBondContact O-ND2 3.1Å; S755-N759 VanDerWaalsContact O-ND2 3.17Å
756	K	95.5	Very high	94.1	Very high	142 Å²	142	53.6 Å²	53.6	62%	0.617	27%	0.271	S	S	*	.	H	α-helix	trans	-70.5	-36.1	174.7	-60.8	179.3	-179.2	179.2	0	111.5	L753 F754 R760	L753-K756 HydrophobicContact CD1-CD 4.35Å; L753-K756 WeakPolarHBondContact O-CB 2.84Å; L753-K756 PolarHBondContact O-N 2.92Å; F754-K756 PolarHBondContact O-N 3.15Å; K756-R760 WeakPolarHBondContact O-CB 3.26Å; K756-R760 PolarHBondContact O-N 2.93Å; K756-R760 VanDerWaalsContact O-N 3.13Å
757	L	96	Very high	94.2	Very high	14 Å²	14	59 Å²	59	7%	0.073	29%	0.291	C	S	.	.	H	α-helix	trans	-66.6	-46.6	173.7	-63.7	168.3	0	0	0	110.3	F738 L749 F754 N759 R760 F761 L779 I780	F738-L757 HydrophobicContact CE1-CB 4.14Å; L749-L757 HydrophobicContact CD1-CD1 3.69Å; F754-L757 HydrophobicContact CD2-CD1 4.13Å; F754-L757 WeakPolarHBondContact O-CB 3.33Å; F754-L757 PolarHBondContact O-N 2.99Å; L757-N759 PolarHBondContact O-N 2.86Å; L757-R760 PolarHBondContact O-N 3.13Å; L757-R760 VanDerWaalsContact O-N 3.16Å; L757-F761 HydrophobicContact CD2-CD2 4.3Å; L757-F761 HydrophobicContact CD2-CE2 4Å; L757-F761 WeakPolarHBondContact O-CD2 3.31Å; L757-F761 PolarHBondContact O-N 3.4Å; L757-L779 HydrophobicContact CD2-CD2 4.17Å; L757-I780 HydrophobicContact CD1-CD1 3.5Å; L757-I780 HydrophobicContact CD1-CG1 3.87Å; L757-I780 HydrophobicContact CD2-CD1 4.29Å; L757-I780 HydrophobicContact CD2-CG1 4.03Å
758	V	96.5	Very high	94.3	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.012	29%	0.289	C	S	.	.	H	α-helix	trans	-57.2	-51.1	176.4	173.8	0	0	0	0	110.7	V480 F754 S755 R760 F761 V762 W766	V480-V758 HydrophobicContact CG2-CB 4.24Å; V480-V758 HydrophobicContact CG2-CG2 3.83Å; F754-V758 HydrophobicContact CD1-CG2 3.79Å; F754-V758 HydrophobicContact CE1-CG2 3.39Å; F754-V758 HydrophobicContact CZ-CG2 4.05Å; F754-V758 PolarHBondContact O-N 2.81Å; S755-V758 PolarHBondContact O-N 3.35Å; V758-R760 PolarHBondContact O-N 3.3Å; V758-F761 PolarHBondContact O-N 3Å; V758-V762 HydrophobicContact CB-CG2 4.17Å; V758-V762 HydrophobicContact CG1-CB 3.93Å; V758-V762 HydrophobicContact CG1-CG1 4.34Å; V758-V762 HydrophobicContact CG1-CG2 3.95Å; V758-V762 HydrophobicContact CG2-CG2 4.24Å; V758-V762 WeakPolarHBondContact O-CA 3.35Å; V758-V762 WeakPolarHBondContact O-CB 2.98Å; V758-V762 PolarHBondContact O-N 2.91Å; V758-W766 HydrophobicContact CG1-CE3 3.91Å; V758-W766 HydrophobicContact CG1-CZ3 3.64Å
759	N	94.9	Very high	94.4	Very high	122 Å²	122	60.1 Å²	60.1	65%	0.652	30%	0.297	S	S	*	.	H	α-helix	trans	-63.6	-24.7	-180	-69.1	-23.8	0	0	0	114.2	S755 L757	S755-N759 WeakPolarHBondContact O-CB 3.43Å; S755-N759 PolarHBondContact O-N 2.87Å; S755-N759 PolarHBondContact O-ND2 3.1Å; S755-N759 VanDerWaalsContact O-ND2 3.17Å; L757-N759 PolarHBondContact O-N 2.86Å
760	R	95.5	Very high	94.4	Very high	156 Å²	156	59.7 Å²	59.7	59%	0.589	29%	0.294	S	S	*	.	H	α-helix	trans	-87.4	-38.7	-179	-176.6	172.4	179.1	176.8	-1.6	112.7	K756 L757 V758	K756-R760 WeakPolarHBondContact O-CB 3.26Å; K756-R760 PolarHBondContact O-N 2.93Å; K756-R760 VanDerWaalsContact O-N 3.13Å; L757-R760 PolarHBondContact O-N 3.13Å; L757-R760 VanDerWaalsContact O-N 3.16Å; V758-R760 PolarHBondContact O-N 3.3Å
761	F	95.8	Very high	94.5	Very high	23 Å²	23	60.3 Å²	60.3	10%	0.101	30%	0.299	C	S	.	.	H	α-helix	trans	-117.2	-22.2	-166.7	-62.4	-71.3	0	0	0	114.5	L757 V758 L768 H772 A776 L779	L757-F761 HydrophobicContact CD2-CD2 4.3Å; L757-F761 HydrophobicContact CD2-CE2 4Å; L757-F761 WeakPolarHBondContact O-CD2 3.31Å; L757-F761 PolarHBondContact O-N 3.4Å; V758-F761 PolarHBondContact O-N 3Å; F761-L768 HydrophobicContact CB-CD1 3.71Å; F761-L768 VanDerWaalsContact O-CD1 3.28Å; F761-L768 WeakPolarHBondContact O-CD1 3.41Å; F761-H772 HydrophobicContact CB-CB 4.36Å; F761-H772 HydrophobicContact CD1-CB 4.42Å; F761-A776 HydrophobicContact CB-CB 4.42Å; F761-A776 HydrophobicContact CD1-CB 4.37Å; F761-A776 HydrophobicContact CD2-CB 3.54Å; F761-A776 HydrophobicContact CE2-CB 3.76Å; F761-A776 HydrophobicContact CG-CB 3.88Å; F761-A776 HydrophobicContact CZ-CB 4.27Å; F761-L779 HydrophobicContact CE2-CD2 3.93Å; F761-L779 HydrophobicContact CZ-CD2 4.04Å
762	V	95.9	Very high	94.5	Very high	20 Å²	20	63.5 Å²	63.5	12%	0.121	31%	0.313	C	S	.	.			trans	-88.1	138.5	-178.3	179.8	0	0	0	0	109.5	V758 W766 R767 L768	V758-V762 HydrophobicContact CB-CG2 4.17Å; V758-V762 HydrophobicContact CG1-CB 3.93Å; V758-V762 HydrophobicContact CG1-CG1 4.34Å; V758-V762 HydrophobicContact CG1-CG2 3.95Å; V758-V762 HydrophobicContact CG2-CG2 4.24Å; V758-V762 WeakPolarHBondContact O-CA 3.35Å; V758-V762 WeakPolarHBondContact O-CB 2.98Å; V758-V762 PolarHBondContact O-N 2.91Å; V762-W766 VanDerWaalsContact CG1-CA 3.44Å; V762-W766 HydrophobicContact CG1-CB 4.49Å; V762-W766 HydrophobicContact CG1-CE3 4.46Å; V762-R767 WeakPolarHBondContact CG1-O 3.05Å; V762-L768 HydrophobicContact CG2-CB 4.21Å; V762-L768 HydrophobicContact CG2-CD1 4.3Å
763	N	94.1	Very high	94.6	Very high	74 Å²	74	59.6 Å²	59.6	40%	0.396	29%	0.289	S	S	.	.			trans	-78.1	179.5	-179	74.3	13.2	0	0	0	113	D765 W766 R767	N763-D765 PolarHBondContact O-N 3.08Å; N763-D765 VanDerWaalsContact O-N 3.17Å; N763-D765 WeakPolarHBondContact OD1-CA 3.41Å; N763-D765 PolarHBondContact OD1-N 2.77Å; N763-W766 PolarHBondContact O-N 2.89Å; N763-W766 PolarHBondContact OD1-N 3.04Å; N763-R767 PolarHBondContact N-O 3.31Å; N763-R767 PolarHBondContact OD1-N 2.95Å; N763-R767 PolarHBondContact OD1-O 3.5Å
764	V	91.4	Very high	94.7	Very high	131 Å²	131	56.4 Å²	56.4	79%	0.794	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-22.3	-178.7	-64.6	0	0	0	0	114.3	W766	V764-W766 VanDerWaalsContact C-N 3.3Å
765	D	92.1	Very high	94.6	Very high	112 Å²	112	56.8 Å²	56.8	60%	0.599	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	11.5	178.9	-59.4	-45.9	0	0	0	112.6	N763 R767	N763-D765 PolarHBondContact O-N 3.08Å; N763-D765 VanDerWaalsContact O-N 3.17Å; N763-D765 WeakPolarHBondContact OD1-CA 3.41Å; N763-D765 PolarHBondContact OD1-N 2.77Å; D765-R767 HydrophobicContact CB-CG 4.47Å; D765-R767 PolarHBondContact O-N 2.81Å
766	W	92.5	Very high	94.7	Very high	75 Å²	75	56 Å²	56	28%	0.284	27%	0.27	S	S	.	.	S	Bend	trans	59.8	32.6	-176.2	-54.1	96.1	0	0	0	113.4	R478 T734 S735 V758 V762 N763 V764	R478-W766 HydrophobicContact CB-CH2 3.72Å; R478-W766 HydrophobicContact CB-CZ2 3.82Å; R478-W766 HydrophobicContact CB-CZ3 4.4Å; R478-W766 HydrophobicContact CG-CH2 3.95Å; R478-W766 HydrophobicContact CG-CZ2 3.52Å; R478-W766 WeakPolarHBondContact O-CZ3 3.46Å; T734-W766 CarbonylContact C-O 3.57Å; S735-W766 PolarHBondContact N-O 2.91Å; V758-W766 HydrophobicContact CG1-CE3 3.91Å; V758-W766 HydrophobicContact CG1-CZ3 3.64Å; V762-W766 VanDerWaalsContact CG1-CA 3.44Å; V762-W766 HydrophobicContact CG1-CB 4.49Å; V762-W766 HydrophobicContact CG1-CE3 4.46Å; N763-W766 PolarHBondContact O-N 2.89Å; N763-W766 PolarHBondContact OD1-N 3.04Å; V764-W766 VanDerWaalsContact C-N 3.3Å
767	R	95	Very high	94.6	Very high	115 Å²	115	49.2 Å²	49.2	43%	0.434	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	140.9	177.2	-67.3	171.2	174.5	-162.6	5.8	111.2	H732 V733 V762 N763 D765	H732-R767 HydrophobicContact CB-CB 4.47Å; H732-R767 VanDerWaalsContact CD2-CD 3.43Å; H732-R767 WeakPolarHBondContact CD2-CD 3.23Å; H732-R767 PolarHBondContact NE2-NH1 3.34Å; V733-R767 CarbonylContact O-C 3.56Å; V733-R767 WeakPolarHBondContact O-CA 3.37Å; V762-R767 WeakPolarHBondContact CG1-O 3.05Å; N763-R767 PolarHBondContact N-O 3.31Å; N763-R767 PolarHBondContact OD1-N 2.95Å; N763-R767 PolarHBondContact OD1-O 3.5Å; D765-R767 HydrophobicContact CB-CG 4.47Å; D765-R767 PolarHBondContact O-N 2.81Å
768	L	95.5	Very high	94.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	119.1	175.1	-176.4	64.7	0	0	0	108.4	H732 V733 F738 F761 V762 H772 F773	H732-L768 CarbonylContact C-O 3.54Å; H732-L768 WeakPolarHBondContact CA-O 3.32Å; H732-L768 WeakPolarHBondContact CB-O 3.42Å; V733-L768 HydrophobicContact CG2-CB 4.19Å; V733-L768 PolarHBondContact N-O 2.83Å; V733-L768 PolarHBondContact O-N 2.98Å; F738-L768 HydrophobicContact CB-CD2 3.93Å; F738-L768 HydrophobicContact CD1-CD2 3.68Å; F738-L768 HydrophobicContact CD2-CD2 3.39Å; F738-L768 HydrophobicContact CE1-CD2 3.98Å; F738-L768 HydrophobicContact CE2-CD2 3.71Å; F738-L768 HydrophobicContact CG-CD2 3.38Å; F738-L768 HydrophobicContact CZ-CD2 4Å; F761-L768 HydrophobicContact CB-CD1 3.71Å; F761-L768 VanDerWaalsContact O-CD1 3.28Å; F761-L768 WeakPolarHBondContact O-CD1 3.41Å; V762-L768 HydrophobicContact CG2-CB 4.21Å; V762-L768 HydrophobicContact CG2-CD1 4.3Å; L768-H772 HydrophobicContact CD1-CB 3.7Å; L768-F773 HydrophobicContact CD2-CB 3.77Å; L768-F773 HydrophobicContact CD2-CD2 4.11Å; L768-F773 HydrophobicContact CD2-CG 4.45Å; L768-F773 HydrophobicContact CG-CB 3.99Å
769	D	94.2	Very high	94.4	Very high	58 Å²	58	50 Å²	50	31%	0.31	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	163.9	173.6	68.3	32.6	0	0	0	111.7	A731 P771 H772 F773	A731-D769 VanDerWaalsContact O-CA 3.31Å; A731-D769 WeakPolarHBondContact O-CA 3.39Å; D769-P771 WeakPolarHBondContact OD1-CD 3.43Å; D769-H772 PolarHBondContact O-N 3.13Å; D769-H772 VanDerWaalsContact OD1-CB 3.24Å; D769-H772 WeakPolarHBondContact OD1-CB 3.44Å; D769-H772 IonicContact OD1-CE1 2.76Å; D769-H772 IonicContact OD1-CG 2.81Å; D769-H772 VanDerWaalsContact OD1-CG 3.29Å; D769-H772 PolarHBondContact OD1-N 2.78Å; D769-H772 IonicContact OD1-ND1 3.59Å; D769-H772 PolarHBondContact OD1-ND1 3.46Å; D769-H772 IonicContact OD2-CE1 2.96Å; D769-H772 PolarHBondContact OD2-CE1 2.71Å; D769-H772 IonicContact OD2-ND1 3.64Å; D769-H772 PolarHBondContact OD2-ND1 3.38Å; D769-F773 WeakPolarHBondContact O-CB 3.47Å; D769-F773 PolarHBondContact O-N 2.86Å
770	Y	93.5	Very high	94.4	Very high	3 Å²	3	44.8 Å²	44.8	1%	0.012	22%	0.217	C	C	.	.	H	α-helix	trans	-60.9	-45.5	-176.3	177.1	-103.6	0	0	0	113.9	Y680 V683 S719 F722 A731 H772 F773 I774	Y680-Y770 AromaticContact CD2-CD2 3.79Å; Y680-Y770 HydrophobicContact CD2-CD2 3.79Å; Y680-Y770 AromaticContact CD2-CE2 3.79Å; Y680-Y770 HydrophobicContact CD2-CE2 3.79Å; Y680-Y770 HydrophobicContact CD2-CG 4.2Å; Y680-Y770 HydrophobicContact CE2-CD2 4.29Å; Y680-Y770 HydrophobicContact CE2-CE2 4.48Å; Y680-Y770 HydrophobicContact CG-CD1 4.27Å; Y680-Y770 HydrophobicContact CG-CD2 4.17Å; Y680-Y770 HydrophobicContact CG-CE1 4.46Å; Y680-Y770 HydrophobicContact CG-CE2 4.38Å; Y680-Y770 HydrophobicContact CG-CG 4.11Å; V683-Y770 HydrophobicContact CG2-CE1 4.33Å; S719-Y770 PolarHBondContact OG-OH 3.19Å; F722-Y770 HydrophobicContact CB-CD2 4.26Å; F722-Y770 HydrophobicContact CB-CE2 4.47Å; F722-Y770 AromaticContact CD1-CD2 3.88Å; F722-Y770 HydrophobicContact CD1-CD2 3.88Å; F722-Y770 HydrophobicContact CD2-CD2 4.14Å; F722-Y770 HydrophobicContact CE1-CD2 4.17Å; F722-Y770 HydrophobicContact CE2-CD2 4.4Å; F722-Y770 AromaticContact CG-CD2 3.84Å; F722-Y770 HydrophobicContact CG-CD2 3.84Å; F722-Y770 HydrophobicContact CZ-CD2 4.39Å; A731-Y770 PolarHBondContact O-N 2.64Å; Y770-H772 PolarHBondContact O-N 3.5Å; Y770-F773 HydrophobicContact CD2-CD1 4.25Å; Y770-F773 HydrophobicContact CE2-CD1 4.46Å; Y770-F773 WeakPolarHBondContact O-CB 3.46Å; Y770-F773 PolarHBondContact O-N 2.9Å; Y770-I774 HydrophobicContact CE1-CG1 4.3Å; Y770-I774 HydrophobicContact CE2-CD1 4Å; Y770-I774 HydrophobicContact CE2-CG1 4.23Å; Y770-I774 WeakPolarHBondContact O-CG1 3.21Å; Y770-I774 PolarHBondContact O-N 2.78Å; Y770-I774 VanDerWaalsContact O-N 3.07Å
771	P	93.7	Very high	94.2	Very high	30 Å²	30	38.6 Å²	38.6	20%	0.195	20%	0.196	C	C	.	.	H	α-helix	trans	-59.2	-46	175.8	-25.8	35	0	0	0	113.8	D769 F773 I774 S775	D769-P771 WeakPolarHBondContact OD1-CD 3.43Å; P771-F773 VanDerWaalsContact C-N 3.29Å; P771-F773 PolarHBondContact O-N 2.95Å; P771-I774 PolarHBondContact O-N 3.22Å; P771-S775 PolarHBondContact O-N 2.78Å; P771-S775 VanDerWaalsContact O-N 3.11Å
772	H	95.1	Very high	94	Very high	87 Å²	87	38.8 Å²	38.8	40%	0.403	20%	0.197	S	C	.	.	H	α-helix	trans	-68.4	-30.6	178.3	-68.2	100.1	0	0	0	111.9	F761 L768 D769 Y770 S775 A776	F761-H772 HydrophobicContact CB-CB 4.36Å; F761-H772 HydrophobicContact CD1-CB 4.42Å; L768-H772 HydrophobicContact CD1-CB 3.7Å; D769-H772 PolarHBondContact O-N 3.13Å; D769-H772 VanDerWaalsContact OD1-CB 3.24Å; D769-H772 WeakPolarHBondContact OD1-CB 3.44Å; D769-H772 IonicContact OD1-CE1 2.76Å; D769-H772 IonicContact OD1-CG 2.81Å; D769-H772 VanDerWaalsContact OD1-CG 3.29Å; D769-H772 PolarHBondContact OD1-N 2.78Å; D769-H772 IonicContact OD1-ND1 3.59Å; D769-H772 PolarHBondContact OD1-ND1 3.46Å; D769-H772 IonicContact OD2-CE1 2.96Å; D769-H772 PolarHBondContact OD2-CE1 2.71Å; D769-H772 IonicContact OD2-ND1 3.64Å; D769-H772 PolarHBondContact OD2-ND1 3.38Å; Y770-H772 PolarHBondContact O-N 3.5Å; H772-S775 PolarHBondContact O-N 3.29Å; H772-A776 WeakPolarHBondContact O-CB 3.15Å; H772-A776 PolarHBondContact O-N 2.93Å
773	F	95.6	Very high	93.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59.7	-46.3	170.1	164.5	-104.7	0	0	0	112.1	W718 F722 F738 I741 L768 D769 Y770 P771 S775 A776 M777	W718-F773 HydrophobicContact CB-CE1 3.85Å; W718-F773 HydrophobicContact CB-CZ 4.08Å; F722-F773 HydrophobicContact CB-CD1 4.14Å; F722-F773 HydrophobicContact CB-CE1 3.82Å; F722-F773 HydrophobicContact CB-CZ 4.34Å; F722-F773 HydrophobicContact CD2-CB 3.92Å; F722-F773 AromaticContact CD2-CD1 3.48Å; F722-F773 HydrophobicContact CD2-CD1 3.48Å; F722-F773 VanDerWaalsContact CD2-CD1 3.48Å; F722-F773 HydrophobicContact CD2-CD2 4.1Å; F722-F773 AromaticContact CD2-CE1 3.96Å; F722-F773 HydrophobicContact CD2-CE1 3.96Å; F722-F773 AromaticContact CD2-CG 3.55Å; F722-F773 HydrophobicContact CD2-CG 3.55Å; F722-F773 HydrophobicContact CD2-CZ 4.46Å; F722-F773 HydrophobicContact CE2-CB 3.84Å; F722-F773 HydrophobicContact CE2-CD1 4.23Å; F722-F773 HydrophobicContact CE2-CG 4Å; F722-F773 HydrophobicContact CG-CD1 4.15Å; F722-F773 HydrophobicContact CG-CE1 4.32Å; F738-F773 AromaticContact CD2-CD2 3.89Å; F738-F773 HydrophobicContact CD2-CD2 3.89Å; F738-F773 HydrophobicContact CD2-CE2 4.25Å; F738-F773 AromaticContact CE2-CD2 3.84Å; F738-F773 HydrophobicContact CE2-CD2 3.84Å; F738-F773 HydrophobicContact CE2-CE2 4.19Å; I741-F773 HydrophobicContact CB-CE2 4.49Å; I741-F773 HydrophobicContact CG2-CE2 3.46Å; I741-F773 VanDerWaalsContact CG2-CE2 3.46Å; I741-F773 HydrophobicContact CG2-CZ 3.67Å; L768-F773 HydrophobicContact CD2-CB 3.77Å; L768-F773 HydrophobicContact CD2-CD2 4.11Å; L768-F773 HydrophobicContact CD2-CG 4.45Å; L768-F773 HydrophobicContact CG-CB 3.99Å; D769-F773 WeakPolarHBondContact O-CB 3.47Å; D769-F773 PolarHBondContact O-N 2.86Å; Y770-F773 HydrophobicContact CD2-CD1 4.25Å; Y770-F773 HydrophobicContact CE2-CD1 4.46Å; Y770-F773 WeakPolarHBondContact O-CB 3.46Å; Y770-F773 PolarHBondContact O-N 2.9Å; P771-F773 VanDerWaalsContact C-N 3.29Å; P771-F773 PolarHBondContact O-N 2.95Å; F773-S775 PolarHBondContact O-N 2.76Å; F773-A776 PolarHBondContact O-N 2.91Å; F773-M777 HydrophobicContact CD2-CG 3.89Å; F773-M777 HydrophobicContact CE1-CG 4.29Å; F773-M777 HydrophobicContact CE2-CG 3.37Å; F773-M777 HydrophobicContact CE2-SD 3.89Å; F773-M777 HydrophobicContact CZ-CG 3.62Å; F773-M777 HydrophobicContact CZ-SD 4.41Å; F773-M777 WeakPolarHBondContact O-CG 3.28Å; F773-M777 PolarHBondContact O-N 2.87Å
774	I	94.3	Very high	93.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.1	-46	176.7	-62.7	-55.4	0	0	0	110.8	A687 L691 L715 W718 Y770 P771 A776 M777 S778	A687-I774 HydrophobicContact CB-CB 4.24Å; A687-I774 HydrophobicContact CB-CG2 4.18Å; L691-I774 HydrophobicContact CD1-CG2 4.07Å; L691-I774 HydrophobicContact CD2-CG2 3.82Å; L691-I774 HydrophobicContact CG-CG2 3.89Å; L715-I774 HydrophobicContact CD1-CD1 3.6Å; L715-I774 HydrophobicContact CD1-CG1 4.09Å; L715-I774 HydrophobicContact CD1-CG2 4.4Å; W718-I774 HydrophobicContact CB-CD1 4.28Å; W718-I774 HydrophobicContact CE3-CD1 4.12Å; Y770-I774 HydrophobicContact CE1-CG1 4.3Å; Y770-I774 HydrophobicContact CE2-CD1 4Å; Y770-I774 HydrophobicContact CE2-CG1 4.23Å; Y770-I774 WeakPolarHBondContact O-CG1 3.21Å; Y770-I774 PolarHBondContact O-N 2.78Å; Y770-I774 VanDerWaalsContact O-N 3.07Å; P771-I774 PolarHBondContact O-N 3.22Å; I774-A776 VanDerWaalsContact C-N 3.32Å; I774-A776 PolarHBondContact O-N 3.35Å; I774-M777 PolarHBondContact O-N 3.35Å; I774-S778 WeakPolarHBondContact O-CB 3.23Å; I774-S778 PolarHBondContact O-N 3.02Å; I774-S778 PolarHBondContact O-OG 3.42Å; I774-S778 VanDerWaalsContact O-OG 3.14Å
775	S	95	Very high	93.5	Very high	12 Å²	12	33.2 Å²	33.2	8%	0.084	18%	0.175	C	C	.	.	H	α-helix	trans	-59.3	-41.9	175.5	-68.9	0	0	0	0	112.7	A687 S690 P771 H772 F773 L779	A687-S775 WeakPolarHBondContact CA-OG 3.48Å; S690-S775 PolarHBondContact OG-OG 2.69Å; P771-S775 PolarHBondContact O-N 2.78Å; P771-S775 VanDerWaalsContact O-N 3.11Å; H772-S775 PolarHBondContact O-N 3.29Å; F773-S775 PolarHBondContact O-N 2.76Å; S775-L779 WeakPolarHBondContact O-CB 3.4Å; S775-L779 PolarHBondContact O-N 3.07Å
776	A	95.6	Very high	93.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.3	-45	178.7	0	0	0	0	0	112.1	F738 F761 H772 F773 I774 L779 I780	F738-A776 HydrophobicContact CE2-CB 4.4Å; F738-A776 HydrophobicContact CZ-CB 3.81Å; F761-A776 HydrophobicContact CB-CB 4.42Å; F761-A776 HydrophobicContact CD1-CB 4.37Å; F761-A776 HydrophobicContact CD2-CB 3.54Å; F761-A776 HydrophobicContact CE2-CB 3.76Å; F761-A776 HydrophobicContact CG-CB 3.88Å; F761-A776 HydrophobicContact CZ-CB 4.27Å; H772-A776 WeakPolarHBondContact O-CB 3.15Å; H772-A776 PolarHBondContact O-N 2.93Å; F773-A776 PolarHBondContact O-N 2.91Å; I774-A776 VanDerWaalsContact C-N 3.32Å; I774-A776 PolarHBondContact O-N 3.35Å; A776-L779 WeakPolarHBondContact O-CB 3.36Å; A776-L779 PolarHBondContact O-N 2.66Å; A776-I780 VanDerWaalsContact O-CG1 3.3Å; A776-I780 WeakPolarHBondContact O-CG1 3.45Å; A776-I780 PolarHBondContact O-N 3.45Å; A776-I780 VanDerWaalsContact O-N 3.12Å
777	M	95.2	Very high	93.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.7	-44.3	177.8	-70.4	-56.4	-61.7	0	0	111.8	W718 F738 V742 A745 Y747 F773 I774 L779 I780 T781	W718-M777 HydrophobicContact CD2-CB 3.73Å; W718-M777 HydrophobicContact CD2-CG 4.27Å; W718-M777 HydrophobicContact CE3-CB 3.68Å; W718-M777 HydrophobicContact CG-CB 4.47Å; W718-M777 HydrophobicContact CH2-CB 3.78Å; W718-M777 HydrophobicContact CZ2-CB 3.8Å; W718-M777 HydrophobicContact CZ3-CB 3.71Å; F738-M777 HydrophobicContact CE2-SD 4.36Å; V742-M777 HydrophobicContact CG2-SD 3.82Å; A745-M777 HydrophobicContact CB-CE 3.48Å; A745-M777 VanDerWaalsContact CB-CE 3.48Å; Y747-M777 HydrophobicContact CD2-CE 4.08Å; Y747-M777 HydrophobicContact CE2-CE 3.93Å; F773-M777 HydrophobicContact CD2-CG 3.89Å; F773-M777 HydrophobicContact CE1-CG 4.29Å; F773-M777 HydrophobicContact CE2-CG 3.37Å; F773-M777 HydrophobicContact CE2-SD 3.89Å; F773-M777 HydrophobicContact CZ-CG 3.62Å; F773-M777 HydrophobicContact CZ-SD 4.41Å; F773-M777 WeakPolarHBondContact O-CG 3.28Å; F773-M777 PolarHBondContact O-N 2.87Å; I774-M777 PolarHBondContact O-N 3.35Å; M777-L779 VanDerWaalsContact C-N 3.31Å; M777-L779 PolarHBondContact O-N 3.32Å; M777-I780 PolarHBondContact O-N 3.01Å; M777-I780 HydrophobicContact SD-CD1 4.32Å; M777-T781 WeakPolarHBondContact O-CB 3.21Å; M777-T781 PolarHBondContact O-N 2.5Å; M777-T781 PolarHBondContact O-OG1 3.13Å; M777-T781 VanDerWaalsContact O-OG1 3.05Å
778	S	94.1	Very high	93	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.014	16%	0.16	C	C	.	.	H	α-helix	trans	-56.8	-43.9	174.2	-69.3	0	0	0	0	112.2	W718 I774 T781 K782	W718-S778 WeakPolarHBondContact CZ3-OG 3.45Å; I774-S778 WeakPolarHBondContact O-CB 3.23Å; I774-S778 PolarHBondContact O-N 3.02Å; I774-S778 PolarHBondContact O-OG 3.42Å; I774-S778 VanDerWaalsContact O-OG 3.14Å; S778-T781 PolarHBondContact O-N 2.83Å; S778-K782 VanDerWaalsContact O-CB 3.31Å; S778-K782 WeakPolarHBondContact O-CB 3.35Å; S778-K782 PolarHBondContact O-N 3.12Å
779	L	94.2	Very high	92.6	Very high	30 Å²	30	35.8 Å²	35.8	16%	0.157	19%	0.193	C	C	.	.	H	α-helix	trans	-59.7	-48.9	177.6	-175.9	76.9	0	0	0	111.6	L757 F761 S775 A776 M777 A783 M810	L757-L779 HydrophobicContact CD2-CD2 4.17Å; F761-L779 HydrophobicContact CE2-CD2 3.93Å; F761-L779 HydrophobicContact CZ-CD2 4.04Å; S775-L779 WeakPolarHBondContact O-CB 3.4Å; S775-L779 PolarHBondContact O-N 3.07Å; A776-L779 WeakPolarHBondContact O-CB 3.36Å; A776-L779 PolarHBondContact O-N 2.66Å; M777-L779 VanDerWaalsContact C-N 3.31Å; M777-L779 PolarHBondContact O-N 3.32Å; L779-A783 WeakPolarHBondContact O-CB 3.15Å; L779-A783 PolarHBondContact O-N 3.02Å; L779-M810 HydrophobicContact CD1-CB 4.2Å; L779-M810 HydrophobicContact CD1-CE 3.35Å; L779-M810 VanDerWaalsContact CD1-O 3.25Å; L779-M810 WeakPolarHBondContact CD1-O 3.48Å; L779-M810 HydrophobicContact CG-CE 3.93Å; L779-M810 WeakPolarHBondContact O-CE 3.35Å
780	I	93.8	Very high	92.3	Very high	12 Å²	12	35.6 Å²	35.6	6%	0.062	19%	0.189	C	C	.	.	H	α-helix	trans	-61.9	-48.4	-179.9	-61.8	161.3	0	0	0	110.1	V742 Y747 L749 L757 A776 M777 K782 A783 V784	V742-I780 HydrophobicContact CG1-CD1 4.41Å; V742-I780 HydrophobicContact CG2-CD1 4.32Å; Y747-I780 HydrophobicContact CD1-CG2 3.64Å; Y747-I780 HydrophobicContact CD2-CG2 4.17Å; Y747-I780 HydrophobicContact CE1-CG2 3.81Å; Y747-I780 HydrophobicContact CE2-CG2 4.31Å; Y747-I780 HydrophobicContact CG-CG2 3.84Å; L749-I780 HydrophobicContact CD1-CD1 4.3Å; L757-I780 HydrophobicContact CD1-CD1 3.5Å; L757-I780 HydrophobicContact CD1-CG1 3.87Å; L757-I780 HydrophobicContact CD2-CD1 4.29Å; L757-I780 HydrophobicContact CD2-CG1 4.03Å; A776-I780 VanDerWaalsContact O-CG1 3.3Å; A776-I780 WeakPolarHBondContact O-CG1 3.45Å; A776-I780 PolarHBondContact O-N 3.45Å; A776-I780 VanDerWaalsContact O-N 3.12Å; M777-I780 PolarHBondContact O-N 3.01Å; M777-I780 HydrophobicContact SD-CD1 4.32Å; I780-K782 PolarHBondContact O-N 2.76Å; I780-A783 PolarHBondContact O-N 3.24Å; I780-V784 WeakPolarHBondContact O-CG2 3.46Å; I780-V784 PolarHBondContact O-N 2.91Å; I780-V784 VanDerWaalsContact O-N 3.08Å
781	T	92.6	Very high	92.1	Very high	26 Å²	26	38.3 Å²	38.3	16%	0.16	20%	0.204	C	C	.	.	H	α-helix	trans	-64.2	-42.9	-177.8	-57.1	0	0	0	0	111.7	L694 W718 Y747 M777 S778 A785	L694-T781 HydrophobicContact CD1-CG2 3.82Å; W718-T781 WeakPolarHBondContact CZ2-OG1 3.15Å; Y747-T781 WeakPolarHBondContact OH-CB 3.26Å; Y747-T781 WeakPolarHBondContact OH-CG2 3.29Å; Y747-T781 PolarHBondContact OH-OG1 2.82Å; M777-T781 WeakPolarHBondContact O-CB 3.21Å; M777-T781 PolarHBondContact O-N 2.5Å; M777-T781 PolarHBondContact O-OG1 3.13Å; M777-T781 VanDerWaalsContact O-OG1 3.05Å; S778-T781 PolarHBondContact O-N 2.83Å; T781-A785 WeakPolarHBondContact O-CB 3.25Å; T781-A785 PolarHBondContact O-N 3.43Å
782	K	91.5	Very high	91.7	Very high	28 Å²	28	44.6 Å²	44.6	12%	0.122	23%	0.23	C	C	.	.	H	α-helix	trans	-64	-45.2	176	-174.9	67.3	173.5	-154.8	0	111.2	A693 L694 D696 S778 I780 V784 A785 I786 M810	A693-K782 WeakPolarHBondContact O-CD 3.41Å; A693-K782 WeakPolarHBondContact O-CE 3.38Å; A693-K782 PolarHBondContact O-NZ 3.15Å; L694-K782 HydrophobicContact CD1-CB 3.97Å; D696-K782 PolarHBondContact O-NZ 3.29Å; S778-K782 VanDerWaalsContact O-CB 3.31Å; S778-K782 WeakPolarHBondContact O-CB 3.35Å; S778-K782 PolarHBondContact O-N 3.12Å; I780-K782 PolarHBondContact O-N 2.76Å; K782-V784 VanDerWaalsContact C-N 3.31Å; K782-V784 PolarHBondContact O-N 2.88Å; K782-A785 PolarHBondContact O-N 3.46Å; K782-I786 HydrophobicContact CD-CD1 4.14Å; K782-I786 HydrophobicContact CD-CG1 4.23Å; K782-I786 HydrophobicContact CG-CD1 3.85Å; K782-I786 HydrophobicContact CG-CG1 4.29Å; K782-I786 VanDerWaalsContact O-CG1 3.32Å; K782-I786 WeakPolarHBondContact O-CG1 3.33Å; K782-I786 PolarHBondContact O-N 3.14Å; K782-M810 HydrophobicContact CB-CE 4.32Å; K782-M810 HydrophobicContact CG-CE 4.5Å
783	A	91.8	Very high	91.2	Very high	39 Å²	39	44.3 Å²	44.3	32%	0.322	25%	0.251	S	S	.	.	H	α-helix	trans	-57.4	-46	179.8	0	0	0	0	0	111.7	L779 I780 I786 F787 M810	L779-A783 WeakPolarHBondContact O-CB 3.15Å; L779-A783 PolarHBondContact O-N 3.02Å; I780-A783 PolarHBondContact O-N 3.24Å; A783-I786 PolarHBondContact O-N 3.47Å; A783-F787 PolarHBondContact O-N 2.81Å; A783-M810 HydrophobicContact CB-CE 3.56Å; A783-M810 HydrophobicContact CB-SD 4.07Å
784	V	90.4	Very high	90.7	Very high	26 Å²	26	46.9 Å²	46.9	16%	0.158	28%	0.277	C	S	.	.	H	α-helix	trans	-65.7	-42.4	178.4	170	0	0	0	0	111.3	L624 Y747 I780 K782 F787 K788	L624-V784 HydrophobicContact CD1-CG1 3.5Å; L624-V784 VanDerWaalsContact CD1-CG1 3.5Å; L624-V784 HydrophobicContact CD2-CG1 3.97Å; L624-V784 HydrophobicContact CD2-CG2 4.16Å; L624-V784 HydrophobicContact CG-CG1 4.39Å; Y747-V784 HydrophobicContact CD1-CG2 4.42Å; Y747-V784 HydrophobicContact CE1-CG2 4.07Å; I780-V784 WeakPolarHBondContact O-CG2 3.46Å; I780-V784 PolarHBondContact O-N 2.91Å; I780-V784 VanDerWaalsContact O-N 3.08Å; K782-V784 VanDerWaalsContact C-N 3.31Å; K782-V784 PolarHBondContact O-N 2.88Å; V784-F787 PolarHBondContact O-N 3.13Å; V784-K788 HydrophobicContact CG1-CD 4.33Å; V784-K788 WeakPolarHBondContact O-CG 3.42Å; V784-K788 PolarHBondContact O-N 3.37Å
785	A	88.4	Confident	90.3	Very high	43 Å²	43	56.1 Å²	56.1	36%	0.355	31%	0.312	S	S	.	.	H	α-helix	trans	-62.9	-44.4	177.9	0	0	0	0	0	111.8	T781 K782 K788 N789	T781-A785 WeakPolarHBondContact O-CB 3.25Å; T781-A785 PolarHBondContact O-N 3.43Å; K782-A785 PolarHBondContact O-N 3.46Å; A785-K788 PolarHBondContact O-N 3.31Å; A785-N789 VanDerWaalsContact O-CG 3.3Å; A785-N789 PolarHBondContact O-N 3.11Å; A785-N789 VanDerWaalsContact O-N 3.16Å; A785-N789 PolarHBondContact O-OD1 2.83Å
786	I	89.2	Confident	89.9	Confident	21 Å²	21	57.2 Å²	57.2	11%	0.108	32%	0.322	C	S	.	.	H	α-helix	trans	-60.9	-49.5	176.1	-68.5	176.8	0	0	0	110.1	K782 A783 K788 N789 F790 I806 M810	K782-I786 HydrophobicContact CD-CD1 4.14Å; K782-I786 HydrophobicContact CD-CG1 4.23Å; K782-I786 HydrophobicContact CG-CD1 3.85Å; K782-I786 HydrophobicContact CG-CG1 4.29Å; K782-I786 VanDerWaalsContact O-CG1 3.32Å; K782-I786 WeakPolarHBondContact O-CG1 3.33Å; K782-I786 PolarHBondContact O-N 3.14Å; A783-I786 PolarHBondContact O-N 3.47Å; I786-K788 VanDerWaalsContact C-N 3.31Å; I786-K788 PolarHBondContact O-N 3.24Å; I786-N789 WeakPolarHBondContact O-CB 3.43Å; I786-N789 PolarHBondContact O-N 3.15Å; I786-N789 VanDerWaalsContact O-N 3.08Å; I786-F790 HydrophobicContact CG2-CD2 4.02Å; I786-F790 HydrophobicContact CG2-CE2 4.03Å; I786-F790 VanDerWaalsContact O-CD2 3.23Å; I786-F790 WeakPolarHBondContact O-CD2 3.19Å; I786-F790 PolarHBondContact O-N 3.18Å; I786-I806 HydrophobicContact CD1-CG2 3.87Å; I786-I806 HydrophobicContact CG2-CD1 3.77Å; I786-I806 HydrophobicContact CG2-CG1 4.03Å; I786-I806 HydrophobicContact CG2-CG2 3.8Å; I786-M810 HydrophobicContact CD1-CG 4.31Å
787	F	90.5	Very high	89.6	Confident	96 Å²	96	63.3 Å²	63.3	42%	0.421	36%	0.359	S	S	.	.	H	α-helix	trans	-56.7	-46	179.3	-177.7	-91.3	0	0	0	111.7	A783 V784 N789 F790 D791 A796	A783-F787 PolarHBondContact O-N 2.81Å; V784-F787 PolarHBondContact O-N 3.13Å; F787-N789 PolarHBondContact O-N 2.99Å; F787-F790 CarbonylContact O-C 3.5Å; F787-F790 PolarHBondContact O-N 2.91Å; F787-F790 VanDerWaalsContact O-N 3.1Å; F787-D791 HydrophobicContact CD1-CB 4.28Å; F787-D791 HydrophobicContact CE1-CB 3.98Å; F787-D791 WeakPolarHBondContact O-CB 3.39Å; F787-D791 PolarHBondContact O-N 3.45Å; F787-A796 HydrophobicContact CD2-CB 3.88Å; F787-A796 HydrophobicContact CE2-CB 3.74Å; F787-A796 HydrophobicContact CZ-CB 4.5Å
788	K	88.3	Confident	89.4	Confident	109 Å²	109	65.8 Å²	65.8	47%	0.474	37%	0.372	S	S	.	.	H	α-helix	trans	-59.5	-32.6	178	-76.8	-178.8	175.8	-178	0	113.4	V784 A785 I786 F790	V784-K788 HydrophobicContact CG1-CD 4.33Å; V784-K788 WeakPolarHBondContact O-CG 3.42Å; V784-K788 PolarHBondContact O-N 3.37Å; A785-K788 PolarHBondContact O-N 3.31Å; I786-K788 VanDerWaalsContact C-N 3.31Å; I786-K788 PolarHBondContact O-N 3.24Å; K788-F790 VanDerWaalsContact C-N 3.28Å; K788-F790 PolarHBondContact O-N 3.4Å
789	N	88	Confident	89.4	Confident	129 Å²	129	69.1 Å²	69.1	69%	0.69	39%	0.394	S	S	*	.	H	α-helix	trans	-69.9	-26.6	178.5	-69	-15.1	0	0	0	113	A785 I786 F787	A785-N789 VanDerWaalsContact O-CG 3.3Å; A785-N789 PolarHBondContact O-N 3.11Å; A785-N789 VanDerWaalsContact O-N 3.16Å; A785-N789 PolarHBondContact O-OD1 2.83Å; I786-N789 WeakPolarHBondContact O-CB 3.43Å; I786-N789 PolarHBondContact O-N 3.15Å; I786-N789 VanDerWaalsContact O-N 3.08Å; F787-N789 PolarHBondContact O-N 2.99Å
790	F	88.3	Confident	89.4	Confident	55 Å²	55	73.4 Å²	73.4	24%	0.241	42%	0.416	C	S	.	.	H	α-helix	trans	-108.5	2.9	-178.7	-64.6	-72.6	0	0	0	113.3	I786 F787 K788 H792 A796 L798 Q802 I806	I786-F790 HydrophobicContact CG2-CD2 4.02Å; I786-F790 HydrophobicContact CG2-CE2 4.03Å; I786-F790 VanDerWaalsContact O-CD2 3.23Å; I786-F790 WeakPolarHBondContact O-CD2 3.19Å; I786-F790 PolarHBondContact O-N 3.18Å; F787-F790 CarbonylContact O-C 3.5Å; F787-F790 PolarHBondContact O-N 2.91Å; F787-F790 VanDerWaalsContact O-N 3.1Å; K788-F790 VanDerWaalsContact C-N 3.28Å; K788-F790 PolarHBondContact O-N 3.4Å; F790-H792 PolarHBondContact O-N 2.82Å; F790-A796 HydrophobicContact CB-CB 3.84Å; F790-A796 WeakPolarHBondContact O-CA 3.16Å; F790-L798 HydrophobicContact CB-CD2 4.17Å; F790-L798 HydrophobicContact CD1-CD2 3.55Å; F790-L798 HydrophobicContact CD2-CD2 3.89Å; F790-L798 HydrophobicContact CE1-CD2 3.83Å; F790-L798 HydrophobicContact CE2-CD2 4.17Å; F790-L798 HydrophobicContact CG-CD2 3.59Å; F790-L798 HydrophobicContact CZ-CD2 4.13Å; F790-Q802 HydrophobicContact CZ-CG 4.41Å; F790-Q802 VanDerWaalsContact CZ-NE2 3.31Å; F790-I806 HydrophobicContact CD2-CD1 4.13Å; F790-I806 HydrophobicContact CE2-CD1 3.56Å; F790-I806 HydrophobicContact CE2-CG1 4.5Å; F790-I806 HydrophobicContact CZ-CD1 4.13Å
791	D	89	Confident	89.5	Confident	60 Å²	60	79.5 Å²	79.5	32%	0.321	44%	0.444	S	S	.	.	B	Isolated β-bridge	trans	-74.9	124	-174.5	-175.8	33.9	0	0	0	111.8	F787 G794 R795	F787-D791 HydrophobicContact CD1-CB 4.28Å; F787-D791 HydrophobicContact CE1-CB 3.98Å; F787-D791 WeakPolarHBondContact O-CB 3.39Å; F787-D791 PolarHBondContact O-N 3.45Å; D791-G794 WeakPolarHBondContact OD1-CA 3.42Å; D791-G794 PolarHBondContact OD1-N 2.55Å; D791-R795 PolarHBondContact OD1-N 2.8Å
792	H	84.6	Confident	89.4	Confident	161 Å²	161	81.2 Å²	81.2	75%	0.745	45%	0.451	S	S	*	.	S	Bend	trans	-126.9	88.9	170.3	-64.4	-43	0	0	0	109.4	F790 R795	F790-H792 PolarHBondContact O-N 2.82Å; H792-R795 PolarHBondContact N-O 3.13Å
793	G	84.5	Confident	89.4	Confident	81 Å²	81	85.5 Å²	85.5	84%	0.835	47%	0.469	S	S	*	.	S	Bend	trans	76.9	36.5	177.1	0	0	0	0	0	114.3
794	G	84.7	Confident	89.5	Confident	54 Å²	54	86.3 Å²	86.3	56%	0.557	47%	0.47	S	S	*	.	S	Bend	trans	82.4	15.1	-178.1	0	0	0	0	0	113.9	D791	D791-G794 WeakPolarHBondContact OD1-CA 3.42Å; D791-G794 PolarHBondContact OD1-N 2.55Å
795	R	86	Confident	89.4	Confident	195 Å²	195	91.3 Å²	91.3	74%	0.736	49%	0.492	S	S	*	.			trans	-138.2	129.1	179.2	-65.3	-175.3	-178.1	-176.9	1.3	109.5	D791 H792	D791-R795 PolarHBondContact OD1-N 2.8Å; H792-R795 PolarHBondContact N-O 3.13Å
796	A	88	Confident	89.4	Confident	35 Å²	35	90.5 Å²	90.5	29%	0.289	48%	0.481	S	S	.	.	B	Isolated β-bridge	trans	-104.6	127.2	168	0	0	0	0	0	109.1	F787 F790	F787-A796 HydrophobicContact CD2-CB 3.88Å; F787-A796 HydrophobicContact CE2-CB 3.74Å; F787-A796 HydrophobicContact CZ-CB 4.5Å; F790-A796 HydrophobicContact CB-CB 3.84Å; F790-A796 WeakPolarHBondContact O-CA 3.16Å
797	V	89.4	Confident	89.3	Confident	128 Å²	128	91.8 Å²	91.8	78%	0.776	50%	0.495	S	S	*	.			trans	-116.8	122.6	176.3	-178.5	0	0	0	0	107.8
798	L	89.9	Confident	89.1	Confident	52 Å²	52	94.5 Å²	94.5	27%	0.272	51%	0.511	S	S	.	.			trans	-128.4	138.1	-174.4	-62.7	164	0	0	0	109.3	F790 Q802 F803 I806	F790-L798 HydrophobicContact CB-CD2 4.17Å; F790-L798 HydrophobicContact CD1-CD2 3.55Å; F790-L798 HydrophobicContact CD2-CD2 3.89Å; F790-L798 HydrophobicContact CE1-CD2 3.83Å; F790-L798 HydrophobicContact CE2-CD2 4.17Å; F790-L798 HydrophobicContact CG-CD2 3.59Å; F790-L798 HydrophobicContact CZ-CD2 4.13Å; L798-Q802 HydrophobicContact CD2-CG 4Å; L798-F803 HydrophobicContact CB-CB 4.39Å; L798-I806 HydrophobicContact CD1-CD1 3.84Å; L798-I806 HydrophobicContact CD2-CD1 4.05Å
799	P	93.9	Very high	88.7	Confident	72 Å²	72	92.2 Å²	92.2	47%	0.468	51%	0.506	S	S	.	.			trans	-65.2	159.3	163.1	29.2	-32	0	0	0	110.4	E801 Q802 F803	P799-E801 VanDerWaalsContact C-N 3.28Å; P799-E801 PolarHBondContact O-N 3.47Å; P799-Q802 HydrophobicContact CG-CB 3.8Å; P799-Q802 PolarHBondContact O-N 3.42Å; P799-F803 PolarHBondContact O-N 3.48Å
800	L	94.7	Very high	88.2	Confident	119 Å²	119	90.1 Å²	90.1	62%	0.623	49%	0.493	S	S	*	.	H	α-helix	trans	-58.7	-41.8	-174.3	177.6	61.4	0	0	0	111.7	Q802 F803 V804	L800-Q802 PolarHBondContact O-N 3.45Å; L800-F803 PolarHBondContact O-N 3.01Å; L800-V804 HydrophobicContact CD1-CG2 4.08Å; L800-V804 HydrophobicContact CG-CG2 4.38Å; L800-V804 VanDerWaalsContact O-CG2 3.29Å; L800-V804 WeakPolarHBondContact O-CG2 3.1Å; L800-V804 PolarHBondContact O-N 3.04Å
801	E	95	Very high	88.2	Confident	140 Å²	140	91.9 Å²	91.9	65%	0.654	51%	0.506	S	S	*	.	H	α-helix	trans	-60.1	-47.7	-178.6	-63.7	72.3	-159.8	0	0	110.7	P799 V804 E805	P799-E801 VanDerWaalsContact C-N 3.28Å; P799-E801 PolarHBondContact O-N 3.47Å; E801-V804 PolarHBondContact O-N 3.42Å; E801-E805 WeakPolarHBondContact O-CB 3.39Å; E801-E805 PolarHBondContact O-N 3.25Å
802	Q	90.3	Very high	88.2	Confident	63 Å²	63	93.6 Å²	93.6	29%	0.294	52%	0.516	S	S	.	.	H	α-helix	trans	-68.6	-36.9	178.9	-169.3	171	38	0	0	112	F790 L798 P799 L800 V804 E805 I806	F790-Q802 HydrophobicContact CZ-CG 4.41Å; F790-Q802 VanDerWaalsContact CZ-NE2 3.31Å; L798-Q802 HydrophobicContact CD2-CG 4Å; P799-Q802 HydrophobicContact CG-CB 3.8Å; P799-Q802 PolarHBondContact O-N 3.42Å; L800-Q802 PolarHBondContact O-N 3.45Å; Q802-V804 VanDerWaalsContact C-N 3.35Å; Q802-E805 PolarHBondContact O-N 3.15Å; Q802-I806 HydrophobicContact CG-CD1 4.15Å; Q802-I806 WeakPolarHBondContact O-CB 3.34Å; Q802-I806 WeakPolarHBondContact O-CD1 3.16Å; Q802-I806 VanDerWaalsContact O-CG1 3.31Å; Q802-I806 WeakPolarHBondContact O-CG1 3.23Å; Q802-I806 PolarHBondContact O-N 2.94Å
803	F	92.2	Very high	88.4	Confident	117 Å²	117	89.8 Å²	89.8	51%	0.513	50%	0.503	S	S	.	.	H	α-helix	trans	-62.2	-43.1	173.2	172.4	-99.8	0	0	0	111.7	L798 P799 L800 I806 A807	L798-F803 HydrophobicContact CB-CB 4.39Å; P799-F803 PolarHBondContact O-N 3.48Å; L800-F803 PolarHBondContact O-N 3.01Å; F803-I806 PolarHBondContact O-N 2.73Å; F803-A807 WeakPolarHBondContact O-CB 3.33Å; F803-A807 PolarHBondContact O-N 2.91Å
804	V	93.1	Very high	88.6	Confident	57 Å²	57	90.4 Å²	90.4	35%	0.345	48%	0.483	S	S	.	.	H	α-helix	trans	-65.4	-43.6	178	171.2	0	0	0	0	110.9	L800 E801 Q802 I806 A807 M808	L800-V804 HydrophobicContact CD1-CG2 4.08Å; L800-V804 HydrophobicContact CG-CG2 4.38Å; L800-V804 VanDerWaalsContact O-CG2 3.29Å; L800-V804 WeakPolarHBondContact O-CG2 3.1Å; L800-V804 PolarHBondContact O-N 3.04Å; E801-V804 PolarHBondContact O-N 3.42Å; Q802-V804 VanDerWaalsContact C-N 3.35Å; V804-I806 PolarHBondContact O-N 3.09Å; V804-A807 PolarHBondContact O-N 3.16Å; V804-M808 HydrophobicContact CG1-CE 3.71Å; V804-M808 HydrophobicContact CG1-CG 4.48Å; V804-M808 HydrophobicContact CG1-SD 4.25Å; V804-M808 WeakPolarHBondContact O-CG 3.35Å; V804-M808 PolarHBondContact O-N 2.95Å
805	E	88.9	Confident	88.8	Confident	130 Å²	130	92.6 Å²	92.6	61%	0.607	48%	0.479	S	S	*	.	H	α-helix	trans	-58.5	-47.3	175.6	-174.5	179.7	-174.1	0	0	111.8	E801 Q802 A807 M808 T809	E801-E805 WeakPolarHBondContact O-CB 3.39Å; E801-E805 PolarHBondContact O-N 3.25Å; Q802-E805 PolarHBondContact O-N 3.15Å; E805-A807 VanDerWaalsContact C-N 3.35Å; E805-A807 PolarHBondContact O-N 3.48Å; E805-M808 PolarHBondContact O-N 3.19Å; E805-T809 PolarHBondContact O-N 3.38Å; E805-T809 PolarHBondContact O-OG1 2.71Å
806	I	88.3	Confident	89	Confident	26 Å²	26	85.8 Å²	85.8	13%	0.133	46%	0.462	C	S	.	.	H	α-helix	trans	-58.2	-46.9	173.2	-76.3	164	0	0	0	111	I786 F790 L798 Q802 F803 V804 M808 T809 M810	I786-I806 HydrophobicContact CD1-CG2 3.87Å; I786-I806 HydrophobicContact CG2-CD1 3.77Å; I786-I806 HydrophobicContact CG2-CG1 4.03Å; I786-I806 HydrophobicContact CG2-CG2 3.8Å; F790-I806 HydrophobicContact CD2-CD1 4.13Å; F790-I806 HydrophobicContact CE2-CD1 3.56Å; F790-I806 HydrophobicContact CE2-CG1 4.5Å; F790-I806 HydrophobicContact CZ-CD1 4.13Å; L798-I806 HydrophobicContact CD1-CD1 3.84Å; L798-I806 HydrophobicContact CD2-CD1 4.05Å; Q802-I806 HydrophobicContact CG-CD1 4.15Å; Q802-I806 WeakPolarHBondContact O-CB 3.34Å; Q802-I806 WeakPolarHBondContact O-CD1 3.16Å; Q802-I806 VanDerWaalsContact O-CG1 3.31Å; Q802-I806 WeakPolarHBondContact O-CG1 3.23Å; Q802-I806 PolarHBondContact O-N 2.94Å; F803-I806 PolarHBondContact O-N 2.73Å; V804-I806 PolarHBondContact O-N 3.09Å; I806-M808 VanDerWaalsContact C-N 3.27Å; I806-M808 PolarHBondContact O-N 3.23Å; I806-T809 PolarHBondContact O-N 3.28Å; I806-T809 PolarHBondContact O-OG1 3.01Å; I806-M810 WeakPolarHBondContact O-CG 3.28Å; I806-M810 PolarHBondContact O-N 2.86Å
807	A	88.7	Confident	89.1	Confident	48 Å²	48	89.4 Å²	89.4	40%	0.397	47%	0.474	S	S	.	.	H	α-helix	trans	-66.3	-28	-177.4	0	0	0	0	0	113.2	F803 V804 E805	F803-A807 WeakPolarHBondContact O-CB 3.33Å; F803-A807 PolarHBondContact O-N 2.91Å; V804-A807 PolarHBondContact O-N 3.16Å; E805-A807 VanDerWaalsContact C-N 3.35Å; E805-A807 PolarHBondContact O-N 3.48Å
808	M	86.3	Confident	89.1	Confident	153 Å²	153	86.5 Å²	86.5	75%	0.754	45%	0.451	S	S	*	.	H	α-helix	trans	-76.3	-22.2	175.8	-72.9	-177.8	175.5	0	0	113.3	V804 E805 I806	V804-M808 HydrophobicContact CG1-CE 3.71Å; V804-M808 HydrophobicContact CG1-CG 4.48Å; V804-M808 HydrophobicContact CG1-SD 4.25Å; V804-M808 WeakPolarHBondContact O-CG 3.35Å; V804-M808 PolarHBondContact O-N 2.95Å; E805-M808 PolarHBondContact O-N 3.19Å; I806-M808 VanDerWaalsContact C-N 3.27Å; I806-M808 PolarHBondContact O-N 3.23Å
809	T	79.1	Confident	89	Confident	61 Å²	61	89.3 Å²	89.3	37%	0.374	47%	0.466	S	S	.	.			trans	-94.1	0.2	178.5	58.1	0	0	0	0	113.3	E805 I806	E805-T809 PolarHBondContact O-N 3.38Å; E805-T809 PolarHBondContact O-OG1 2.71Å; I806-T809 PolarHBondContact O-N 3.28Å; I806-T809 PolarHBondContact O-OG1 3.01Å
810	M	77.3	Confident	88.5	Confident	86 Å²	86	90.9 Å²	90.9	42%	0.424	47%	0.465	S	S	.	.			trans	-100	0	176.2	-73.3	-136.2	72.4	0	0	112.1	L779 K782 A783 I786 I806	L779-M810 HydrophobicContact CD1-CB 4.2Å; L779-M810 HydrophobicContact CD1-CE 3.35Å; L779-M810 VanDerWaalsContact CD1-O 3.25Å; L779-M810 WeakPolarHBondContact CD1-O 3.48Å; L779-M810 HydrophobicContact CG-CE 3.93Å; L779-M810 WeakPolarHBondContact O-CE 3.35Å; K782-M810 HydrophobicContact CB-CE 4.32Å; K782-M810 HydrophobicContact CG-CE 4.5Å; A783-M810 HydrophobicContact CB-CE 3.56Å; A783-M810 HydrophobicContact CB-SD 4.07Å; I786-M810 HydrophobicContact CD1-CG 4.31Å; I806-M810 WeakPolarHBondContact O-CG 3.28Å; I806-M810 PolarHBondContact O-N 2.86Å

Retrieved 810 of 810 residues in 2026 ms (Link to these results)

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