A0A087YEI0_POEFO Loading...

FERM, ARHGEF and pleckstrin domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A087YEI0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,040 aa.

						>A0A087YEI0_POEFO|A0A087YEI0
MAEPDPENLSSGAGQRLGAPETLGISTLDPGHKPPAMPPGRHVTVTVRMLDDTEEVFDVSQKASGKVLFDLVCSHMNLIEGDYFGLEFQNHKSMMVWLDHIKPIIKQLRRPKNTTLRFSVKFFPPDHAQLLEELTRYLFALQIKQDLSSGRMTCNDTSAALMVSHIIQSEIGDFDESHCRSHLLNNNYIPDQMPLIDKIMEFHSKHIGQSPAESDFQLLEVARKLDFYGIRLHPAKDREGSKLNLAVAHTGVLVFQTHTRINAFNWSKIRKLSFKRKRFLIKLRPDLNSSYQDTLEFLMASRDCCKVFWKICVEYHAFFRLFEEPKPKPKPMLFTRGSSFRFSGRTQKQVIDYVRESEFKKIPFERKHSRVRYSSRVQHNSRLSPLPSPRHHEVPSESGVPEDLSSSSPPRRHWKESVLVSAEDPAASRTSKMSPNHQRNGHEDRKESVSKPEESRGSTRQMSPEHPSQGVAPHSPPPSGHPHGMVNGQKSLELCSHSLDGRQPSPLTSPLLNDACSIRTDDEDEVRRKRFPTDRAYFIAKELLTTERTYLKDLEVVTVSFQSVVGKDEETPDSLKNTILSTFEPLHKFHTGFLREVEQRLAIWEGRSNAHIKGDCQRIGDVMLKNLQALKPLTTNMHKHSDILLELEKACKASRRVENLCRDFELQKVCYIPLNVFVLRPLHRLIHYKQILERLCKHYPATHEDFRDCRAALADVSEVVDQLQGSLIKMENLQTLLELQKDLLGVDNLVVSGREFIRLGCLSKLSGKGLQQRMFFLFNDVILYTSRGMTPTNQFKVHGQLPLRGMTIRESEEEWGVPHAFTLVGQGQSVVVAASSLTEMEKWMQDIKMAIETAKTSNGPTSDVLTCTLTDNKCPEDSSAEAESEDDTSALNTSLEKPAAHRGNTMVHVCWHRSTSVSMVDFSVAVENQLSGNLLRKFKNSNGWQKLWVVFTNFSLFFYKSHQDDYPLASLPLLGYSVTVPAENENIHKDYVFKLHFKSHVYYFRSESEYTFERWMEVIRSATVSSSQARLLNSKDPHPH
					

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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	33.3	Very low	32.5	Very low	248 Å²	248	146.3 Å²	146.3	100%	1.222	84%	0.836	S	S	*	*				0	120.5	0	-70.7	172.2	168.3	0	0	107
2	A	32.9	Very low	31.7	Very low	104 Å²	104	140.5 Å²	140.5	86%	0.86	83%	0.833	S	S	*	*			cis	-153.3	159.1	-9.9	0	0	0	0	0	110.1
3	E	23.5	Very low	31.1	Very low	188 Å²	188	137.8 Å²	137.8	88%	0.879	84%	0.836	S	S	*	*			trans	-121.3	169.6	172.4	-118	-178.4	-160.8	0	0	107.3
4	P	49.1	Very low	30.6	Very low	115 Å²	115	133.4 Å²	133.4	75%	0.747	83%	0.832	S	S	*	*			cis	-135.7	-170.6	0.4	35.6	-13.4	0	0	0	116
5	D	24.8	Very low	30.5	Very low	150 Å²	150	137.8 Å²	137.8	80%	0.802	84%	0.839	S	S	*	*			trans	-56.5	-175.6	167.2	-100.3	-31.2	0	0	0	117
6	P	62.6	Low	30.1	Very low	98 Å²	98	144 Å²	144	64%	0.636	84%	0.842	S	S	*	*			cis	-142.9	-160.5	-27.4	37.9	-17	0	0	0	114.9
7	E	28	Very low	29.9	Very low	170 Å²	170	145.3 Å²	145.3	79%	0.794	84%	0.844	S	S	*	*			trans	74.5	153.9	156.1	-79	-172.8	-158.7	0	0	120.1
8	N	24.5	Very low	29.8	Very low	126 Å²	126	141.4 Å²	141.4	67%	0.674	84%	0.84	S	S	*	*			cis	-152.2	-179.1	5.6	-144.8	-51.4	0	0	0	112.7
9	L	28.2	Very low	29.3	Very low	160 Å²	160	138.7 Å²	138.7	84%	0.838	84%	0.835	S	S	*	*			trans	-101.3	159.6	-178.9	-60.2	99.2	0	0	0	115.3
10	S	24.7	Very low	29.2	Very low	129 Å²	129	137.5 Å²	137.5	90%	0.902	83%	0.831	S	S	*	*			trans	-155.5	156.2	141.9	63.3	0	0	0	0	113.4
11	S	26	Very low	29.3	Very low	121 Å²	121	140 Å²	140	85%	0.846	83%	0.834	S	S	*	*			trans	-101.2	160.4	-163.3	-177	0	0	0	0	114.9
12	G	22.9	Very low	29.2	Very low	77 Å²	77	132.1 Å²	132.1	79%	0.794	80%	0.799	S	S	*	*			trans	-159.6	95.8	169.6	0	0	0	0	0	112.5
13	A	23.2	Very low	29.6	Very low	106 Å²	106	133 Å²	133	88%	0.876	79%	0.789	S	S	*	*			trans	-82.8	149.8	-172.5	0	0	0	0	0	114.2
14	G	24.1	Very low	30.9	Very low	76 Å²	76	124.6 Å²	124.6	78%	0.784	75%	0.752	S	S	*	*			trans	-176.3	20.4	179.3	0	0	0	0	0	117.8	R16	G14-R16 PolarHBondContact O-N 2.62Å
15	Q	29	Very low	31.1	Very low	199 Å²	199	119.3 Å²	119.3	93%	0.93	72%	0.718	S	S	*	*			trans	-73.6	112	-173.9	-162.4	174.1	18.9	0	0	112
16	R	25.2	Very low	32.4	Very low	237 Å²	237	114 Å²	114	89%	0.894	69%	0.692	S	S	*	*			trans	-126.4	108.3	165.5	-95.2	-168.6	171.9	-157.5	-2.1	110.8	G14	G14-R16 PolarHBondContact O-N 2.62Å
17	L	26.6	Very low	31.9	Very low	166 Å²	166	110.3 Å²	110.3	87%	0.869	67%	0.668	S	S	*	*			trans	26.6	98.2	149.5	-60.8	169.3	0	0	0	115.4	A19	L17-A19 PolarHBondContact O-N 3.32Å
18	G	27.1	Very low	32.8	Very low	75 Å²	75	105.2 Å²	105.2	77%	0.773	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-57.7	134.9	163.8	0	0	0	0	0	110.1
19	A	21.7	Very low	33.6	Very low	91 Å²	91	104.9 Å²	104.9	75%	0.752	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-62.1	143.1	168.6	0	0	0	0	0	109	L17 E21	L17-A19 PolarHBondContact O-N 3.32Å; A19-E21 PolarHBondContact O-N 3.09Å
20	P	26.4	Very low	34	Very low	114 Å²	114	103.1 Å²	103.1	74%	0.74	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-62.5	137	173.6	28.1	-34.2	0	0	0	109.4	T22	P20-T22 PolarHBondContact O-N 2.84Å; P20-T22 VanDerWaalsContact O-N 3.11Å
21	E	31.3	Very low	34.7	Very low	191 Å²	191	100.4 Å²	100.4	89%	0.893	64%	0.635	S	S	*	*			trans	-62.6	114.1	174.3	-67	-177.4	133.7	0	0	109.4	A19 L23	A19-E21 PolarHBondContact O-N 3.09Å; E21-L23 PolarHBondContact O-N 3.38Å; E21-L23 VanDerWaalsContact O-N 3.16Å
22	T	32	Very low	35.3	Very low	82 Å²	82	100.9 Å²	100.9	50%	0.503	62%	0.623	S	S	.	*			trans	-80.1	95.4	179	43.2	0	0	0	0	109.9	P20 G24 E55	P20-T22 PolarHBondContact O-N 2.84Å; P20-T22 VanDerWaalsContact O-N 3.11Å; T22-G24 PolarHBondContact O-N 2.88Å; T22-E55 PolarHBondContact OG1-OE1 2.98Å
23	L	40.3	Very low	36.3	Very low	122 Å²	122	106 Å²	106	64%	0.639	62%	0.623	S	S	*	*			trans	-67.8	88.8	158.1	-65.4	173.4	0	0	0	108.2	E21	E21-L23 PolarHBondContact O-N 3.38Å; E21-L23 VanDerWaalsContact O-N 3.16Å
24	G	50.5	Low	37.5	Very low	11 Å²	11	104.7 Å²	104.7	11%	0.113	61%	0.606	C	S	.	*			trans	-87.2	-155.1	166.5	0	0	0	0	0	111.9	T22 S26	T22-G24 PolarHBondContact O-N 2.88Å; G24-S26 PolarHBondContact O-N 3.49Å
25	I	53.7	Low	38.7	Very low	5 Å²	5	105.9 Å²	105.9	3%	0.026	60%	0.6	C	S	.	*	S	Bend	trans	-74.6	65.6	173.6	-46.6	177	0	0	0	109.9	D51 M76 L134 Y137 L138 L141	I25-D51 HydrophobicContact CD1-CB 4.08Å; I25-D51 HydrophobicContact CG1-CB 4.33Å; I25-M76 HydrophobicContact CG2-CG 4.47Å; I25-M76 WeakPolarHBondContact O-CG 3.28Å; I25-L134 HydrophobicContact CG2-CD1 3.93Å; I25-Y137 HydrophobicContact CD1-CE1 4.05Å; I25-L138 HydrophobicContact CD1-CD2 3.77Å; I25-L141 HydrophobicContact CD1-CD1 3.86Å
26	S	51.9	Low	39.6	Very low	37 Å²	37	101.5 Å²	101.5	26%	0.259	60%	0.598	S	S	.	*			trans	-102.1	129	173	173	0	0	0	0	109.2	G24 L28	G24-S26 PolarHBondContact O-N 3.49Å; S26-L28 VanDerWaalsContact C-N 3.34Å; S26-L28 PolarHBondContact OG-N 2.79Å
27	T	53.5	Low	41.1	Very low	22 Å²	22	93.6 Å²	93.6	14%	0.135	57%	0.572	C	S	.	*			trans	-99.2	16.4	170.3	61.6	0	0	0	0	112	H75 M76 N77 F364	T27-H75 PolarHBondContact N-O 3.12Å; T27-M76 WeakPolarHBondContact CG2-O 3.29Å; T27-N77 HydrophobicContact CG2-CB 4.34Å; T27-N77 WeakPolarHBondContact OG1-CB 3.5Å; T27-N77 PolarHBondContact OG1-N 3.13Å; T27-F364 HydrophobicContact CG2-CB 3.85Å
28	L	46	Very low	42.4	Very low	62 Å²	62	90.2 Å²	90.2	33%	0.325	56%	0.56	S	S	.	*	S	Bend	trans	-95.7	136.1	176.5	-56.8	175.4	0	0	0	109.7	S26 H32	S26-L28 VanDerWaalsContact C-N 3.34Å; S26-L28 PolarHBondContact OG-N 2.79Å; L28-H32 HydrophobicContact CB-CB 4.25Å
29	D	42.2	Very low	43.4	Very low	120 Å²	120	93.1 Å²	93.1	64%	0.642	57%	0.566	S	S	*	*			trans	-53.9	141.9	172.7	-71.8	-53.7	0	0	0	111.3	G31 H32	D29-G31 PolarHBondContact O-N 2.84Å; D29-H32 PolarHBondContact O-N 3.09Å
30	P	35.1	Very low	45.4	Very low	122 Å²	122	91.3 Å²	91.3	79%	0.792	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.6	107.2	177.2	-28.3	36	0	0	0	112.5
31	G	39.3	Very low	47.6	Very low	72 Å²	72	95.3 Å²	95.3	74%	0.742	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	115.5	-16.2	-177.4	0	0	0	0	0	115.5	D29 K33	D29-G31 PolarHBondContact O-N 2.84Å; G31-K33 PolarHBondContact O-N 2.83Å
32	H	40.2	Very low	50	Low	131 Å²	131	89.8 Å²	89.8	61%	0.606	53%	0.53	S	S	*	.			trans	-73.4	113.4	174.6	-98.3	90.3	0	0	0	111.6	L28 D29	L28-H32 HydrophobicContact CB-CB 4.25Å; D29-H32 PolarHBondContact O-N 3.09Å
33	K	44	Very low	52.5	Low	184 Å²	184	86.6 Å²	86.6	80%	0.8	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-87.6	149	175.8	-66.7	-179.4	-178.6	177.5	0	110.9	G31	G31-K33 PolarHBondContact O-N 2.83Å
34	P	46.8	Very low	54.7	Low	79 Å²	79	82.5 Å²	82.5	51%	0.513	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-58	155.4	172.7	25.1	-34.5	0	0	0	111.5	A36	P34-A36 PolarHBondContact O-N 3.01Å
35	P	50.8	Low	56.6	Low	102 Å²	102	82 Å²	82	66%	0.662	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-55.6	136.4	-170.2	20.4	-33.2	0	0	0	113	M37	P35-M37 PolarHBondContact O-N 3.23Å; P35-M37 VanDerWaalsContact O-N 3.14Å
36	A	47.4	Very low	58.5	Low	107 Å²	107	83.3 Å²	83.3	88%	0.884	49%	0.493	S	S	*	.			trans	-60.5	115.1	-171.9	0	0	0	0	0	112.2	P34	P34-A36 PolarHBondContact O-N 3.01Å
37	M	55.7	Low	60.6	Low	70 Å²	70	81.5 Å²	81.5	35%	0.345	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-70.7	142.3	-178.5	-72.6	-71.3	-76.8	0	0	111.9	P35	P35-M37 PolarHBondContact O-N 3.23Å; P35-M37 VanDerWaalsContact O-N 3.14Å
38	P	54.6	Low	62.6	Low	96 Å²	96	84.9 Å²	84.9	62%	0.623	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-65.4	148.1	-179.8	27.2	-35.2	0	0	0	112	G40	P38-G40 PolarHBondContact O-N 2.72Å
39	P	48.2	Very low	64.8	Low	136 Å²	136	82.2 Å²	82.2	88%	0.883	48%	0.477	S	S	*	.	S	Bend	trans	-62.6	131.7	-166.4	23.5	-34.5	0	0	0	113.6
40	G	63.8	Low	67.3	Low	53 Å²	53	76.6 Å²	76.6	55%	0.546	45%	0.447	S	S	.	.	S	Bend	trans	-179.5	-171.7	175.8	0	0	0	0	0	113.3	P38 H42	P38-G40 PolarHBondContact O-N 2.72Å; G40-H42 PolarHBondContact O-CD2 2.81Å
41	R	72.3	Confident	69.8	Low	197 Å²	197	71.9 Å²	71.9	74%	0.743	42%	0.415	S	S	*	.			trans	-79.3	122	171.2	-65.9	-175.6	176.5	178.1	-1.5	109.8	Q61	R41-Q61 VanDerWaalsContact CB-CD 3.43Å; R41-Q61 HydrophobicContact CB-CG 4.15Å; R41-Q61 WeakPolarHBondContact O-CB 3.31Å; R41-Q61 WeakPolarHBondContact O-CG 3.43Å; R41-Q61 PolarHBondContact O-N 3.09Å
42	H	80.6	Confident	72.1	Confident	75 Å²	75	72.6 Å²	72.6	35%	0.347	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	171	-177.8	-61	171.2	0	0	0	113	G40 V59 Q61	G40-H42 PolarHBondContact O-CD2 2.81Å; H42-V59 CarbonylContact C-O 3.49Å; H42-V59 WeakPolarHBondContact CA-O 3.33Å; H42-Q61 PolarHBondContact O-NE2 3.32Å
43	V	84.5	Confident	74.4	Confident	15 Å²	15	66.8 Å²	66.8	9%	0.091	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	115.6	176	-177.3	0	0	0	0	107.7	V45 V59 Q61 P111	V43-V45 HydrophobicContact CG1-CG2 3.98Å; V43-V59 HydrophobicContact CB-CG2 4.43Å; V43-V59 PolarHBondContact N-O 3.28Å; V43-V59 WeakPolarHBondContact O-CG2 3.14Å; V43-V59 PolarHBondContact O-N 3.1Å; V43-Q61 HydrophobicContact CG2-CB 4.17Å; V43-Q61 HydrophobicContact CG2-CG 3.31Å; V43-P111 HydrophobicContact CG1-CB 3.33Å; V43-P111 HydrophobicContact CG1-CG 3.69Å
44	T	87.5	Confident	76.7	Confident	37 Å²	37	61.5 Å²	61.5	23%	0.227	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	130.8	170.5	-36.5	0	0	0	0	109.8	V56 D58	T44-V56 HydrophobicContact CG2-CG1 3.34Å; T44-D58 WeakPolarHBondContact CA-OD1 3.41Å; T44-D58 VanDerWaalsContact CB-OD1 3.23Å; T44-D58 WeakPolarHBondContact CB-OD1 3.43Å; T44-D58 PolarHBondContact N-OD1 3.24Å; T44-D58 PolarHBondContact OG1-OD1 3.41Å
45	V	90.9	Very high	78.7	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	124.4	-178.9	-176.3	0	0	0	0	109.5	V43 F57 V59 L68 P111 L116	V43-V45 HydrophobicContact CG1-CG2 3.98Å; V45-F57 PolarHBondContact N-O 3.29Å; V45-F57 PolarHBondContact O-N 2.8Å; V45-V59 HydrophobicContact CG2-CG2 4.02Å; V45-L68 HydrophobicContact CB-CD2 4.35Å; V45-L68 HydrophobicContact CG1-CD2 3.81Å; V45-P111 HydrophobicContact CG2-CB 4.22Å; V45-L116 HydrophobicContact CG1-CD1 3.42Å; V45-L116 VanDerWaalsContact CG1-CD1 3.42Å; V45-L116 HydrophobicContact CG1-CD2 4.45Å
46	T	93.8	Very high	80.6	Confident	32 Å²	32	58.5 Å²	58.5	20%	0.196	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	132.9	175.8	-47.8	0	0	0	0	110.4	E54 T115 L116	T46-E54 HydrophobicContact CG2-CB 3.87Å; T46-E54 HydrophobicContact CG2-CG 4.44Å; T46-T115 HydrophobicContact CG2-CG2 4.17Å; T46-T115 WeakPolarHBondContact O-CA 3.34Å; T46-L116 PolarHBondContact O-N 3.26Å
47	V	95.3	Very high	82.6	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	120.6	175.3	179.1	0	0	0	0	108.6	M49 E54 E55 F57 V72 L86 L116 F118	V47-M49 HydrophobicContact CG1-SD 3.8Å; V47-E54 WeakPolarHBondContact O-CA 3.17Å; V47-E55 PolarHBondContact N-O 3.27Å; V47-E55 PolarHBondContact O-N 2.92Å; V47-F57 HydrophobicContact CB-CD2 4.14Å; V47-F57 HydrophobicContact CB-CE2 4.01Å; V47-F57 HydrophobicContact CG2-CD2 3.83Å; V47-F57 HydrophobicContact CG2-CE2 4.13Å; V47-V72 HydrophobicContact CB-CG2 4.48Å; V47-V72 HydrophobicContact CG1-CG2 4.31Å; V47-V72 HydrophobicContact CG2-CG2 4.03Å; V47-L86 HydrophobicContact CB-CD2 4.49Å; V47-L86 HydrophobicContact CG1-CD2 3.47Å; V47-L86 VanDerWaalsContact CG1-CD2 3.47Å; V47-L86 HydrophobicContact CG2-CD2 4.17Å; V47-L116 CarbonylContact C-O 3.43Å; V47-L116 WeakPolarHBondContact CA-O 3.39Å; V47-L116 HydrophobicContact CG2-CB 4.47Å; V47-F118 HydrophobicContact CG1-CB 4.16Å
48	R	95.2	Very high	84.2	Confident	93 Å²	93	54.9 Å²	54.9	35%	0.351	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	128.5	168.8	-169.3	-178.6	-69.5	-150.6	-2.9	110.5	D52 T53 E54 T115 L116 F118	R48-D52 VanDerWaalsContact CD-OD1 3.29Å; R48-D52 WeakPolarHBondContact CD-OD1 3.38Å; R48-D52 IonicContact CZ-OD1 2.84Å; R48-D52 IonicContact NH1-OD1 2.75Å; R48-D52 PolarHBondContact NH1-OD1 2.89Å; R48-T53 CarbonylContact C-O 3.55Å; R48-T53 WeakPolarHBondContact CA-O 3.4Å; R48-T53 WeakPolarHBondContact CG-O 3.28Å; R48-E54 HydrophobicContact CB-CG 4Å; R48-E54 HydrophobicContact CG-CG 3.97Å; R48-E54 IonicContact CZ-OE1 2.85Å; R48-E54 IonicContact NE-OE1 3.9Å; R48-E54 PolarHBondContact NE-OE1 3.11Å; R48-E54 IonicContact NH2-OE1 3.85Å; R48-E54 PolarHBondContact NH2-OE1 2.71Å; R48-T115 HydrophobicContact CB-CG2 3.89Å; R48-L116 PolarHBondContact N-O 3.27Å; R48-F118 PolarHBondContact O-N 2.88Å
49	M	93.6	Very high	85.8	Confident	5 Å²	5	50.4 Å²	50.4	3%	0.025	27%	0.267	C	S	.	.			trans	-88.2	-179.8	-177.4	-52.8	-54.5	-76.2	0	0	111.9	V47 D51 D52 T53 E55 V72 M76 F118	V47-M49 HydrophobicContact CG1-SD 3.8Å; M49-D51 VanDerWaalsContact C-N 3.34Å; M49-D51 WeakPolarHBondContact CB-OD1 3.45Å; M49-D52 PolarHBondContact O-N 2.81Å; M49-T53 WeakPolarHBondContact CB-OG1 3.44Å; M49-T53 WeakPolarHBondContact CG-OG1 3.28Å; M49-T53 PolarHBondContact N-O 2.79Å; M49-E55 HydrophobicContact CG-CG 4.33Å; M49-V72 HydrophobicContact CE-CG1 4.07Å; M49-V72 HydrophobicContact SD-CG1 4.39Å; M49-M76 HydrophobicContact CE-CE 3.64Å; M49-M76 HydrophobicContact CE-CG 3.94Å; M49-M76 HydrophobicContact CE-SD 3.35Å; M49-M76 WeakPolarHBondContact CE-SD 3.33Å; M49-F118 HydrophobicContact CE-CG 4.48Å; M49-F118 HydrophobicContact SD-CB 4.2Å
50	L	92.9	Very high	87.6	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.016	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-14.5	-177.6	-79.6	165.4	0	0	0	114.1	D52 F84 F118 L138 L141 Q142 Q145	L50-D52 VanDerWaalsContact C-N 3.34Å; L50-F84 HydrophobicContact CD1-CD1 4.29Å; L50-F84 HydrophobicContact CD1-CE1 4.06Å; L50-F118 HydrophobicContact CD1-CD1 3.8Å; L50-F118 HydrophobicContact CD1-CE1 3.88Å; L50-F118 HydrophobicContact CG-CD1 4.04Å; L50-L138 HydrophobicContact CB-CD2 4.34Å; L50-L138 HydrophobicContact CD1-CB 4.18Å; L50-L138 HydrophobicContact CD1-CD2 4.21Å; L50-L141 HydrophobicContact CB-CB 4.03Å; L50-L141 HydrophobicContact CB-CD1 4.2Å; L50-Q142 HydrophobicContact CD2-CB 4.1Å; L50-Q145 PolarHBondContact O-NE2 2.81Å
51	D	87.8	Confident	88.3	Confident	22 Å²	22	46.7 Å²	46.7	12%	0.118	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	17.8	169.5	74.6	-31.6	0	0	0	113	I25 M49 T53 L141 K367	I25-D51 HydrophobicContact CD1-CB 4.08Å; I25-D51 HydrophobicContact CG1-CB 4.33Å; M49-D51 VanDerWaalsContact C-N 3.34Å; M49-D51 WeakPolarHBondContact CB-OD1 3.45Å; D51-T53 PolarHBondContact O-N 2.99Å; D51-T53 VanDerWaalsContact O-N 3.15Å; D51-T53 WeakPolarHBondContact OD1-CB 3.47Å; D51-T53 PolarHBondContact OD1-N 3.39Å; D51-T53 VanDerWaalsContact OD1-N 3.16Å; D51-T53 PolarHBondContact OD1-OG1 2.92Å; D51-T53 WeakPolarHBondContact OD2-CG2 3.39Å; D51-L141 HydrophobicContact CB-CD1 4.27Å; D51-K367 HydrophobicContact CB-CD 4.33Å; D51-K367 WeakPolarHBondContact OD2-CD 3.49Å; D51-K367 IonicContact OD2-NZ 3.8Å; D51-K367 PolarHBondContact OD2-NZ 2.99Å
52	D	88.5	Confident	88.9	Confident	88 Å²	88	46 Å²	46	47%	0.471	23%	0.231	S	C	.	.	S	Bend	trans	58.5	15	-174.9	-78.3	-77.2	0	0	0	115.8	R48 M49 L50	R48-D52 VanDerWaalsContact CD-OD1 3.29Å; R48-D52 WeakPolarHBondContact CD-OD1 3.38Å; R48-D52 IonicContact CZ-OD1 2.84Å; R48-D52 IonicContact NH1-OD1 2.75Å; R48-D52 PolarHBondContact NH1-OD1 2.89Å; M49-D52 PolarHBondContact O-N 2.81Å; L50-D52 VanDerWaalsContact C-N 3.34Å
53	T	89.3	Confident	89.2	Confident	9 Å²	9	43 Å²	43	6%	0.055	22%	0.218	C	C	.	.			trans	-67.2	151.3	165.4	50.9	0	0	0	0	112	R48 M49 D51 K367	R48-T53 CarbonylContact C-O 3.55Å; R48-T53 WeakPolarHBondContact CA-O 3.4Å; R48-T53 WeakPolarHBondContact CG-O 3.28Å; M49-T53 WeakPolarHBondContact CB-OG1 3.44Å; M49-T53 WeakPolarHBondContact CG-OG1 3.28Å; M49-T53 PolarHBondContact N-O 2.79Å; D51-T53 PolarHBondContact O-N 2.99Å; D51-T53 VanDerWaalsContact O-N 3.15Å; D51-T53 WeakPolarHBondContact OD1-CB 3.47Å; D51-T53 PolarHBondContact OD1-N 3.39Å; D51-T53 VanDerWaalsContact OD1-N 3.16Å; D51-T53 PolarHBondContact OD1-OG1 2.92Å; D51-T53 WeakPolarHBondContact OD2-CG2 3.39Å; T53-K367 HydrophobicContact CG2-CD 4.41Å
54	E	91.1	Very high	89.6	Confident	72 Å²	72	43.9 Å²	43.9	34%	0.336	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	100.8	174.9	-68.3	-159	169.4	0	0	110.5	T46 V47 R48	T46-E54 HydrophobicContact CG2-CB 3.87Å; T46-E54 HydrophobicContact CG2-CG 4.44Å; V47-E54 WeakPolarHBondContact O-CA 3.17Å; R48-E54 HydrophobicContact CB-CG 4Å; R48-E54 HydrophobicContact CG-CG 3.97Å; R48-E54 IonicContact CZ-OE1 2.85Å; R48-E54 IonicContact NE-OE1 3.9Å; R48-E54 PolarHBondContact NE-OE1 3.11Å; R48-E54 IonicContact NH2-OE1 3.85Å; R48-E54 PolarHBondContact NH2-OE1 2.71Å
55	E	90.1	Very high	89.8	Confident	30 Å²	30	42.1 Å²	42.1	14%	0.14	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	148.4	-179.6	-71.7	-56	137	0	0	111.6	T22 V47 M49 F57	T22-E55 PolarHBondContact OG1-OE1 2.98Å; V47-E55 PolarHBondContact N-O 3.27Å; V47-E55 PolarHBondContact O-N 2.92Å; M49-E55 HydrophobicContact CG-CG 4.33Å; E55-F57 HydrophobicContact CB-CE2 3.63Å; E55-F57 HydrophobicContact CB-CZ 4.13Å
56	V	90.1	Very high	89.8	Confident	89 Å²	89	46.3 Å²	46.3	54%	0.539	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	114.3	-167.2	-178.4	0	0	0	0	111.2	T44	T44-V56 HydrophobicContact CG2-CG1 3.34Å
57	F	89.6	Confident	89.8	Confident	17 Å²	17	47.1 Å²	47.1	8%	0.075	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	120.8	-175.1	-62.7	-93.9	0	0	0	111.1	V45 V47 E55 L68 L71 V72 H75	V45-F57 PolarHBondContact N-O 3.29Å; V45-F57 PolarHBondContact O-N 2.8Å; V47-F57 HydrophobicContact CB-CD2 4.14Å; V47-F57 HydrophobicContact CB-CE2 4.01Å; V47-F57 HydrophobicContact CG2-CD2 3.83Å; V47-F57 HydrophobicContact CG2-CE2 4.13Å; E55-F57 HydrophobicContact CB-CE2 3.63Å; E55-F57 HydrophobicContact CB-CZ 4.13Å; F57-L68 HydrophobicContact CB-CD1 3.62Å; F57-L68 HydrophobicContact CG-CD1 4.08Å; F57-L71 HydrophobicContact CD1-CB 4.13Å; F57-L71 HydrophobicContact CE1-CB 4.47Å; F57-V72 HydrophobicContact CD1-CG2 4.37Å; F57-V72 HydrophobicContact CD2-CG2 4.09Å; F57-V72 HydrophobicContact CE1-CG2 4.02Å; F57-V72 HydrophobicContact CE2-CG2 3.72Å; F57-V72 HydrophobicContact CG-CG2 4.42Å; F57-V72 HydrophobicContact CZ-CB 4.32Å; F57-V72 HydrophobicContact CZ-CG2 3.69Å; F57-H75 HydrophobicContact CE1-CB 4.16Å; F57-H75 HydrophobicContact CZ-CB 4.27Å
58	D	88.2	Confident	89.7	Confident	84 Å²	84	47.1 Å²	47.1	45%	0.449	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	119	169.7	-89.2	-40	0	0	0	110.7	T44	T44-D58 WeakPolarHBondContact CA-OD1 3.41Å; T44-D58 VanDerWaalsContact CB-OD1 3.23Å; T44-D58 WeakPolarHBondContact CB-OD1 3.43Å; T44-D58 PolarHBondContact N-OD1 3.24Å; T44-D58 PolarHBondContact OG1-OD1 3.41Å
59	V	87.9	Confident	89.7	Confident	1 Å²	1	43 Å²	43	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	152.3	-179.2	-67	0	0	0	0	111.9	H42 V43 V45 A63 L68 L71 I104	H42-V59 CarbonylContact C-O 3.49Å; H42-V59 WeakPolarHBondContact CA-O 3.33Å; V43-V59 HydrophobicContact CB-CG2 4.43Å; V43-V59 PolarHBondContact N-O 3.28Å; V43-V59 WeakPolarHBondContact O-CG2 3.14Å; V43-V59 PolarHBondContact O-N 3.1Å; V45-V59 HydrophobicContact CG2-CG2 4.02Å; V59-A63 HydrophobicContact CB-CB 4.23Å; V59-L68 HydrophobicContact CG1-CB 4.32Å; V59-L68 HydrophobicContact CG1-CD1 3.97Å; V59-L71 HydrophobicContact CG1-CD1 3.74Å; V59-I104 HydrophobicContact CG2-CD1 3.87Å
60	S	86.2	Confident	89.6	Confident	39 Å²	39	45.6 Å²	45.6	27%	0.273	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	142.1	176.4	178.9	0	0	0	0	112.1	K62 A63	S60-K62 PolarHBondContact O-N 3.13Å; S60-A63 WeakPolarHBondContact O-CB 3.47Å; S60-A63 PolarHBondContact O-N 3.24Å
61	Q	79.7	Confident	89.6	Confident	73 Å²	73	46.6 Å²	46.6	34%	0.341	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-21.2	176.2	-83.1	178.4	8.5	0	0	114.4	R41 H42 V43 I105	R41-Q61 VanDerWaalsContact CB-CD 3.43Å; R41-Q61 HydrophobicContact CB-CG 4.15Å; R41-Q61 WeakPolarHBondContact O-CB 3.31Å; R41-Q61 WeakPolarHBondContact O-CG 3.43Å; R41-Q61 PolarHBondContact O-N 3.09Å; H42-Q61 PolarHBondContact O-NE2 3.32Å; V43-Q61 HydrophobicContact CG2-CB 4.17Å; V43-Q61 HydrophobicContact CG2-CG 3.31Å; Q61-I105 VanDerWaalsContact O-CG2 3.31Å; Q61-I105 WeakPolarHBondContact O-CG2 3.32Å
62	K	83.4	Confident	89.9	Confident	183 Å²	183	45.6 Å²	45.6	80%	0.796	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-4.8	177.9	-63.5	179.5	-177.9	174.7	0	114	S60	S60-K62 PolarHBondContact O-N 3.13Å
63	A	88.5	Confident	90	Very high	10 Å²	10	42.1 Å²	42.1	8%	0.083	22%	0.219	C	C	.	.			trans	-59.2	140	-175.5	0	0	0	0	0	112.6	V59 S60 V67 P103 I104	V59-A63 HydrophobicContact CB-CB 4.23Å; S60-A63 WeakPolarHBondContact O-CB 3.47Å; S60-A63 PolarHBondContact O-N 3.24Å; A63-V67 HydrophobicContact CB-CB 4.19Å; A63-V67 HydrophobicContact CB-CG1 4.23Å; A63-P103 CarbonylContact O-C 3.48Å; A63-P103 VanDerWaalsContact O-CA 3.23Å; A63-P103 WeakPolarHBondContact O-CA 3.41Å; A63-I104 HydrophobicContact CB-CD1 4.24Å; A63-I104 PolarHBondContact O-N 2.9Å
64	S	92.1	Very high	90	Very high	35 Å²	35	45.5 Å²	45.5	25%	0.245	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-76.9	162.8	173.8	69.3	0	0	0	0	111.4	K66 V67 H100 K102	S64-K66 PolarHBondContact O-N 3.13Å; S64-V67 PolarHBondContact O-N 3.27Å; S64-V67 VanDerWaalsContact O-N 3.11Å; S64-H100 WeakPolarHBondContact CB-O 3.4Å; S64-H100 PolarHBondContact OG-O 3.16Å; S64-K102 CarbonylContact C-O 3.53Å; S64-K102 WeakPolarHBondContact CA-O 3.34Å
65	G	91.8	Very high	89.8	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-56.1	-31.3	174.3	0	0	0	0	0	113.2	F69 H100 K102	G65-F69 PolarHBondContact O-N 2.95Å; G65-H100 PolarHBondContact N-O 3.45Å; G65-K102 PolarHBondContact N-O 2.9Å
66	K	92	Very high	89.6	Confident	88 Å²	88	42.1 Å²	42.1	38%	0.383	23%	0.227	S	C	.	.	H	α-helix	trans	-62.5	-42.7	175.9	-156.6	-161.1	-179.6	-64	0	112	S64 L68 F69 D70 H100	S64-K66 PolarHBondContact O-N 3.13Å; K66-L68 VanDerWaalsContact C-N 3.34Å; K66-L68 PolarHBondContact O-N 2.96Å; K66-F69 WeakPolarHBondContact O-CB 3.43Å; K66-F69 PolarHBondContact O-N 2.9Å; K66-F69 VanDerWaalsContact O-N 3.09Å; K66-D70 IonicContact NZ-OD1 2.87Å; K66-D70 PolarHBondContact NZ-OD1 2.83Å; K66-D70 IonicContact NZ-OD2 3.71Å; K66-D70 PolarHBondContact NZ-OD2 3.48Å; K66-D70 WeakPolarHBondContact O-CB 3.48Å; K66-D70 PolarHBondContact O-N 2.88Å; K66-H100 HydrophobicContact CB-CB 4.09Å; K66-H100 PolarHBondContact N-O 2.93Å
67	V	92.1	Very high	89.5	Confident	49 Å²	49	40.5 Å²	40.5	30%	0.297	22%	0.215	S	C	.	.	H	α-helix	trans	-62.1	-40.5	-177	175.4	0	0	0	0	112	A63 S64 L71	A63-V67 HydrophobicContact CB-CB 4.19Å; A63-V67 HydrophobicContact CB-CG1 4.23Å; S64-V67 PolarHBondContact O-N 3.27Å; S64-V67 VanDerWaalsContact O-N 3.11Å; V67-L71 HydrophobicContact CG1-CD1 4.34Å; V67-L71 WeakPolarHBondContact O-CD1 3.31Å; V67-L71 WeakPolarHBondContact O-CG 3.23Å; V67-L71 PolarHBondContact O-N 2.85Å
68	L	93.3	Very high	89.5	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-67	-41.1	173.8	175.7	63.9	0	0	0	111.6	V45 F57 V59 K66 L71 V72 L86 L98 I104 L116	V45-L68 HydrophobicContact CB-CD2 4.35Å; V45-L68 HydrophobicContact CG1-CD2 3.81Å; F57-L68 HydrophobicContact CB-CD1 3.62Å; F57-L68 HydrophobicContact CG-CD1 4.08Å; V59-L68 HydrophobicContact CG1-CB 4.32Å; V59-L68 HydrophobicContact CG1-CD1 3.97Å; K66-L68 VanDerWaalsContact C-N 3.34Å; K66-L68 PolarHBondContact O-N 2.96Å; L68-L71 PolarHBondContact O-N 2.8Å; L68-V72 WeakPolarHBondContact O-CG2 3.41Å; L68-V72 PolarHBondContact O-N 2.99Å; L68-V72 VanDerWaalsContact O-N 3.07Å; L68-L86 HydrophobicContact CD2-CD1 3.97Å; L68-L86 HydrophobicContact CG-CD1 3.88Å; L68-L98 HydrophobicContact CD2-CD2 4.23Å; L68-I104 HydrophobicContact CB-CD1 3.63Å; L68-I104 HydrophobicContact CD2-CD1 4.14Å; L68-L116 HydrophobicContact CD2-CD2 3.84Å
69	F	94.9	Very high	89.5	Confident	7 Å²	7	37 Å²	37	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-64.9	-43.1	178.4	-172.4	-114.7	0	0	0	112.5	G65 K66 L71 V72 C73 G81 F84 L86 H100 F118	G65-F69 PolarHBondContact O-N 2.95Å; K66-F69 WeakPolarHBondContact O-CB 3.43Å; K66-F69 PolarHBondContact O-N 2.9Å; K66-F69 VanDerWaalsContact O-N 3.09Å; F69-L71 VanDerWaalsContact C-N 3.33Å; F69-L71 PolarHBondContact O-N 2.73Å; F69-V72 PolarHBondContact O-N 3.02Å; F69-C73 PolarHBondContact O-N 3.4Å; F69-C73 PolarHBondContact O-SG 2.89Å; F69-C73 VanDerWaalsContact O-SG 3.41Å; F69-G81 VanDerWaalsContact CZ-O 3.27Å; F69-G81 WeakPolarHBondContact CZ-O 3.45Å; F69-F84 HydrophobicContact CE2-CB 4.4Å; F69-F84 HydrophobicContact CZ-CB 4.17Å; F69-F84 WeakPolarHBondContact CZ-O 3.47Å; F69-L86 HydrophobicContact CB-CD1 4.41Å; F69-L86 HydrophobicContact CD2-CD1 4.22Å; F69-L86 HydrophobicContact CD2-CG 4.02Å; F69-H100 AromaticContact CD1-CE1 3.9Å; F69-F118 HydrophobicContact CE2-CD2 4.33Å; F69-F118 AromaticContact CE2-CE2 3.88Å; F69-F118 HydrophobicContact CE2-CE2 3.88Å
70	D	92.4	Very high	89.8	Confident	58 Å²	58	37 Å²	37	31%	0.31	20%	0.197	S	C	.	.	H	α-helix	trans	-60.5	-42.4	177	-64.9	-17.5	0	0	0	110.9	K66 C73 S74	K66-D70 IonicContact NZ-OD1 2.87Å; K66-D70 PolarHBondContact NZ-OD1 2.83Å; K66-D70 IonicContact NZ-OD2 3.71Å; K66-D70 PolarHBondContact NZ-OD2 3.48Å; K66-D70 WeakPolarHBondContact O-CB 3.48Å; K66-D70 PolarHBondContact O-N 2.88Å; D70-C73 PolarHBondContact O-N 3.27Å; D70-S74 WeakPolarHBondContact O-CB 3.32Å; D70-S74 PolarHBondContact O-N 2.94Å; D70-S74 PolarHBondContact O-OG 3.38Å
71	L	92.3	Very high	90.1	Very high	25 Å²	25	35.3 Å²	35.3	13%	0.131	19%	0.186	C	C	.	.	H	α-helix	trans	-63.6	-41.6	174.7	-74.3	166.6	0	0	0	112.8	F57 V59 V67 L68 F69 S74 H75	F57-L71 HydrophobicContact CD1-CB 4.13Å; F57-L71 HydrophobicContact CE1-CB 4.47Å; V59-L71 HydrophobicContact CG1-CD1 3.74Å; V67-L71 HydrophobicContact CG1-CD1 4.34Å; V67-L71 WeakPolarHBondContact O-CD1 3.31Å; V67-L71 WeakPolarHBondContact O-CG 3.23Å; V67-L71 PolarHBondContact O-N 2.85Å; L68-L71 PolarHBondContact O-N 2.8Å; F69-L71 VanDerWaalsContact C-N 3.33Å; F69-L71 PolarHBondContact O-N 2.73Å; L71-S74 PolarHBondContact O-N 2.71Å; L71-H75 PolarHBondContact O-N 3.05Å
72	V	93.7	Very high	90.9	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.7	-44.4	175	170.5	0	0	0	0	110.6	V47 M49 F57 L68 F69 H75 M76 L86 F118	V47-V72 HydrophobicContact CB-CG2 4.48Å; V47-V72 HydrophobicContact CG1-CG2 4.31Å; V47-V72 HydrophobicContact CG2-CG2 4.03Å; M49-V72 HydrophobicContact CE-CG1 4.07Å; M49-V72 HydrophobicContact SD-CG1 4.39Å; F57-V72 HydrophobicContact CD1-CG2 4.37Å; F57-V72 HydrophobicContact CD2-CG2 4.09Å; F57-V72 HydrophobicContact CE1-CG2 4.02Å; F57-V72 HydrophobicContact CE2-CG2 3.72Å; F57-V72 HydrophobicContact CG-CG2 4.42Å; F57-V72 HydrophobicContact CZ-CB 4.32Å; F57-V72 HydrophobicContact CZ-CG2 3.69Å; L68-V72 WeakPolarHBondContact O-CG2 3.41Å; L68-V72 PolarHBondContact O-N 2.99Å; L68-V72 VanDerWaalsContact O-N 3.07Å; F69-V72 PolarHBondContact O-N 3.02Å; V72-H75 PolarHBondContact O-N 3.35Å; V72-M76 HydrophobicContact CG1-CE 3.8Å; V72-M76 WeakPolarHBondContact O-CE 3.35Å; V72-L86 HydrophobicContact CG2-CD1 4.47Å; V72-F118 HydrophobicContact CG1-CD2 3.76Å; V72-F118 HydrophobicContact CG1-CE2 4.13Å; V72-F118 HydrophobicContact CG1-CG 4.44Å
73	C	92.6	Very high	91.5	Very high	15 Å²	15	24.2 Å²	24.2	10%	0.101	14%	0.138	C	C	.	.	H	α-helix	trans	-64.4	-40.3	175	-67.2	0	0	0	0	112.2	F69 D70 M76 N77 L78	F69-C73 PolarHBondContact O-N 3.4Å; F69-C73 PolarHBondContact O-SG 2.89Å; F69-C73 VanDerWaalsContact O-SG 3.41Å; D70-C73 PolarHBondContact O-N 3.27Å; C73-M76 PolarHBondContact O-N 2.76Å; C73-N77 PolarHBondContact O-N 3.14Å; C73-N77 VanDerWaalsContact O-N 3.13Å; C73-L78 HydrophobicContact CB-CB 4.36Å; C73-L78 PolarHBondContact O-N 2.85Å
74	S	88.8	Confident	91.9	Very high	81 Å²	81	23.8 Å²	23.8	57%	0.566	13%	0.134	S	C	*	.	H	α-helix	trans	-65.2	-36	177.7	-65	0	0	0	0	113.4	D70 L71 M76 N77	D70-S74 WeakPolarHBondContact O-CB 3.32Å; D70-S74 PolarHBondContact O-N 2.94Å; D70-S74 PolarHBondContact O-OG 3.38Å; L71-S74 PolarHBondContact O-N 2.71Å; S74-M76 VanDerWaalsContact C-N 3.29Å; S74-M76 PolarHBondContact O-N 3.16Å; S74-N77 PolarHBondContact O-N 2.67Å; S74-N77 VanDerWaalsContact O-N 3.16Å
75	H	86.3	Confident	92.1	Very high	30 Å²	30	22.1 Å²	22.1	14%	0.139	12%	0.122	C	C	.	.	H	α-helix	trans	-61.6	-36	176.1	173.3	87.9	0	0	0	112.8	T27 F57 L71 V72	T27-H75 PolarHBondContact N-O 3.12Å; F57-H75 HydrophobicContact CE1-CB 4.16Å; F57-H75 HydrophobicContact CZ-CB 4.27Å; L71-H75 PolarHBondContact O-N 3.05Å; V72-H75 PolarHBondContact O-N 3.35Å
76	M	86.7	Confident	92.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-3.7	175.3	-69.2	-179.9	-72.3	0	0	114.2	I25 T27 M49 V72 C73 S74 L78 F118 L134 L138	I25-M76 HydrophobicContact CG2-CG 4.47Å; I25-M76 WeakPolarHBondContact O-CG 3.28Å; T27-M76 WeakPolarHBondContact CG2-O 3.29Å; M49-M76 HydrophobicContact CE-CE 3.64Å; M49-M76 HydrophobicContact CE-CG 3.94Å; M49-M76 HydrophobicContact CE-SD 3.35Å; M49-M76 WeakPolarHBondContact CE-SD 3.33Å; V72-M76 HydrophobicContact CG1-CE 3.8Å; V72-M76 WeakPolarHBondContact O-CE 3.35Å; C73-M76 PolarHBondContact O-N 2.76Å; S74-M76 VanDerWaalsContact C-N 3.29Å; S74-M76 PolarHBondContact O-N 3.16Å; M76-L78 HydrophobicContact CB-CB 3.98Å; M76-L78 HydrophobicContact CE-CB 4.33Å; M76-L78 HydrophobicContact CE-CD2 3.78Å; M76-L78 PolarHBondContact O-N 3.42Å; M76-L78 HydrophobicContact SD-CD2 4.49Å; M76-F118 HydrophobicContact CE-CD1 4.39Å; M76-F118 HydrophobicContact CE-CD2 4.36Å; M76-F118 HydrophobicContact CE-CE1 3.9Å; M76-F118 HydrophobicContact CE-CE2 3.85Å; M76-F118 HydrophobicContact CE-CZ 3.6Å; M76-F118 HydrophobicContact SD-CE1 4.27Å; M76-L134 HydrophobicContact CB-CD2 4.45Å; M76-L134 WeakPolarHBondContact O-CD2 3.12Å; M76-L138 HydrophobicContact SD-CD1 4.21Å; M76-L138 HydrophobicContact SD-CD2 4.36Å
77	N	86.3	Confident	92.4	Very high	56 Å²	56	19.5 Å²	19.5	30%	0.299	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	38.1	-163.1	-173	54.5	0	0	0	113.3	T27 C73 S74 I79	T27-N77 HydrophobicContact CG2-CB 4.34Å; T27-N77 WeakPolarHBondContact OG1-CB 3.5Å; T27-N77 PolarHBondContact OG1-N 3.13Å; C73-N77 PolarHBondContact O-N 3.14Å; C73-N77 VanDerWaalsContact O-N 3.13Å; S74-N77 PolarHBondContact O-N 2.67Å; S74-N77 VanDerWaalsContact O-N 3.16Å; N77-I79 PolarHBondContact O-N 2.9Å; N77-I79 VanDerWaalsContact O-N 3.1Å
78	L	90	Very high	92.5	Very high	10 Å²	10	17.7 Å²	17.7	5%	0.052	10%	0.099	C	C	.	.			trans	-82.1	92.6	-172.8	-177.2	60.3	0	0	0	112.3	C73 M76 G81 F84 F118 L134 L138	C73-L78 HydrophobicContact CB-CB 4.36Å; C73-L78 PolarHBondContact O-N 2.85Å; M76-L78 HydrophobicContact CB-CB 3.98Å; M76-L78 HydrophobicContact CE-CB 4.33Å; M76-L78 HydrophobicContact CE-CD2 3.78Å; M76-L78 PolarHBondContact O-N 3.42Å; M76-L78 HydrophobicContact SD-CD2 4.49Å; L78-G81 PolarHBondContact O-N 3.39Å; L78-F84 HydrophobicContact CD1-CE2 4.19Å; L78-F84 HydrophobicContact CD2-CD2 3.79Å; L78-F84 HydrophobicContact CD2-CE2 3.85Å; L78-F84 HydrophobicContact CD2-CG 4.36Å; L78-F84 HydrophobicContact CD2-CZ 4.47Å; L78-F84 HydrophobicContact CG-CE2 4.46Å; L78-F118 HydrophobicContact CD2-CE1 4.36Å; L78-F118 HydrophobicContact CD2-CE2 4.43Å; L78-F118 HydrophobicContact CD2-CZ 3.59Å; L78-L134 HydrophobicContact CD1-CD2 4.22Å; L78-L134 HydrophobicContact CD1-CG 4.33Å; L78-L138 HydrophobicContact CD1-CD1 3.75Å; L78-L138 HydrophobicContact CD2-CD1 3.85Å; L78-L138 HydrophobicContact CG-CD1 4.4Å
79	I	89.1	Confident	92.4	Very high	18 Å²	18	23.1 Å²	23.1	9%	0.092	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-46.3	-178.5	-60.1	157.7	0	0	0	112.1	N77 G81 E132 R345 Y353 V354 F359	N77-I79 PolarHBondContact O-N 2.9Å; N77-I79 VanDerWaalsContact O-N 3.1Å; I79-G81 PolarHBondContact O-N 2.8Å; I79-G81 VanDerWaalsContact O-N 3.15Å; I79-E132 HydrophobicContact CD1-CG 4.09Å; I79-R345 PolarHBondContact O-NH2 3.41Å; I79-Y353 HydrophobicContact CG2-CD1 4.2Å; I79-Y353 HydrophobicContact CG2-CE1 3.99Å; I79-V354 HydrophobicContact CG2-CG2 3.76Å; I79-F359 HydrophobicContact CB-CE2 4.44Å; I79-F359 HydrophobicContact CD1-CB 3.77Å; I79-F359 HydrophobicContact CD1-CD1 4.32Å; I79-F359 HydrophobicContact CD1-CD2 3.6Å; I79-F359 HydrophobicContact CD1-CE2 4.28Å; I79-F359 HydrophobicContact CD1-CG 3.63Å; I79-F359 HydrophobicContact CG1-CD1 4.45Å; I79-F359 HydrophobicContact CG1-CD2 3.99Å; I79-F359 HydrophobicContact CG1-CE2 4.18Å; I79-F359 HydrophobicContact CG1-CG 4.14Å; I79-F359 HydrophobicContact CG2-CD2 3.75Å; I79-F359 HydrophobicContact CG2-CE2 3.38Å; I79-F359 HydrophobicContact CG2-CZ 4.09Å
80	E	93	Very high	91.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	28.9	-177.5	-63.6	-176.3	103.4	0	0	113.5	D82 Y83 L131 E132 T135 V350 V354	E80-D82 PolarHBondContact O-N 3.5Å; E80-Y83 HydrophobicContact CB-CD2 4.03Å; E80-Y83 HydrophobicContact CB-CE2 4.33Å; E80-Y83 PolarHBondContact O-N 2.84Å; E80-L131 PolarHBondContact OE1-N 2.75Å; E80-L131 PolarHBondContact OE2-N 3.26Å; E80-L131 VanDerWaalsContact OE2-N 3.16Å; E80-E132 PolarHBondContact OE2-N 2.92Å; E80-T135 HydrophobicContact CB-CG2 4.05Å; E80-T135 WeakPolarHBondContact OE2-CB 3.32Å; E80-T135 WeakPolarHBondContact OE2-CG2 3.26Å; E80-T135 PolarHBondContact OE2-OG1 2.64Å; E80-V350 HydrophobicContact CB-CG1 4.04Å; E80-V350 HydrophobicContact CG-CG1 4.01Å; E80-V354 HydrophobicContact CG-CG2 3.63Å
81	G	93.8	Very high	91.4	Very high	3 Å²	3	27 Å²	27	3%	0.031	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-53.2	-29.6	-170.6	0	0	0	0	0	116.2	F69 L78 I79 Y83 F84	F69-G81 VanDerWaalsContact CZ-O 3.27Å; F69-G81 WeakPolarHBondContact CZ-O 3.45Å; L78-G81 PolarHBondContact O-N 3.39Å; I79-G81 PolarHBondContact O-N 2.8Å; I79-G81 VanDerWaalsContact O-N 3.15Å; G81-Y83 PolarHBondContact O-N 3.03Å; G81-Y83 VanDerWaalsContact O-N 3.11Å; G81-F84 WeakPolarHBondContact O-CB 3.44Å; G81-F84 PolarHBondContact O-N 3.35Å
82	D	94.9	Very high	90.9	Very high	24 Å²	24	31 Å²	31	13%	0.128	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-64.8	-15.9	-177	-56.7	-106.3	0	0	0	114.6	E80 F84 F122 F318 G344 R345 V350	E80-D82 PolarHBondContact O-N 3.5Å; D82-F84 PolarHBondContact O-N 2.97Å; D82-F122 WeakPolarHBondContact O-CD2 3.49Å; D82-F122 WeakPolarHBondContact O-CE2 3.34Å; D82-F318 HydrophobicContact CB-CE2 4.02Å; D82-G344 WeakPolarHBondContact OD1-CA 3.27Å; D82-R345 PolarHBondContact OD1-N 3.24Å; D82-R345 IonicContact OD2-CZ 2.98Å; D82-R345 IonicContact OD2-NE 2.68Å; D82-R345 PolarHBondContact OD2-NE 3.03Å; D82-R345 IonicContact OD2-NH2 2.76Å; D82-R345 PolarHBondContact OD2-NH2 3.15Å; D82-V350 HydrophobicContact CB-CG2 3.74Å
83	Y	96.1	Very high	90.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-66.4	-17.5	169.5	-76.1	-72.4	0	0	0	113	E80 G81 K121 F122 P124 Q129 L130 T135 F139 F318 Q347 V350	E80-Y83 HydrophobicContact CB-CD2 4.03Å; E80-Y83 HydrophobicContact CB-CE2 4.33Å; E80-Y83 PolarHBondContact O-N 2.84Å; G81-Y83 PolarHBondContact O-N 3.03Å; G81-Y83 VanDerWaalsContact O-N 3.11Å; Y83-K121 WeakPolarHBondContact O-CA 3.27Å; Y83-K121 PolarHBondContact O-N 3.31Å; Y83-F122 HydrophobicContact CD1-CB 4.38Å; Y83-F122 PolarHBondContact O-N 3.38Å; Y83-P124 HydrophobicContact CE1-CB 4.31Å; Y83-P124 HydrophobicContact CE1-CG 4.25Å; Y83-Q129 PolarHBondContact OH-O 3.02Å; Y83-L130 HydrophobicContact CD1-CD2 4.26Å; Y83-L130 HydrophobicContact CD2-CD2 3.85Å; Y83-L130 HydrophobicContact CE1-CD2 3.96Å; Y83-L130 HydrophobicContact CE2-CD2 3.5Å; Y83-L130 VanDerWaalsContact CE2-CD2 3.5Å; Y83-L130 HydrophobicContact CG-CD2 4.22Å; Y83-T135 HydrophobicContact CD2-CG2 4.49Å; Y83-F139 HydrophobicContact CD1-CZ 4.29Å; Y83-F139 HydrophobicContact CG-CE2 4.38Å; Y83-F139 HydrophobicContact CG-CZ 4.31Å; Y83-F318 AromaticContact CD1-CE1 3.64Å; Y83-F318 HydrophobicContact CD1-CE1 3.64Å; Y83-F318 AromaticContact CD1-CZ 3.54Å; Y83-F318 HydrophobicContact CD1-CZ 3.54Å; Y83-F318 AromaticContact CE1-CE1 3.68Å; Y83-F318 HydrophobicContact CE1-CE1 3.68Å; Y83-F318 AromaticContact CE1-CZ 3.71Å; Y83-F318 HydrophobicContact CE1-CZ 3.71Å; Y83-F318 HydrophobicContact CG-CZ 4.06Å; Y83-Q347 HydrophobicContact CE1-CG 3.9Å; Y83-Q347 WeakPolarHBondContact OH-CG 3.29Å; Y83-Q347 PolarHBondContact OH-NE2 2.98Å; Y83-V350 HydrophobicContact CD2-CG1 4.44Å; Y83-V350 HydrophobicContact CE2-CG1 4.09Å
84	F	96.9	Very high	90.1	Very high	1 Å²	1	36.7 Å²	36.7	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	179	-172.3	-57.3	-95.8	0	0	0	112.4	L50 F69 L78 G81 D82 F118 S119 V120 T135 L138 F139	L50-F84 HydrophobicContact CD1-CD1 4.29Å; L50-F84 HydrophobicContact CD1-CE1 4.06Å; F69-F84 HydrophobicContact CE2-CB 4.4Å; F69-F84 HydrophobicContact CZ-CB 4.17Å; F69-F84 WeakPolarHBondContact CZ-O 3.47Å; L78-F84 HydrophobicContact CD1-CE2 4.19Å; L78-F84 HydrophobicContact CD2-CD2 3.79Å; L78-F84 HydrophobicContact CD2-CE2 3.85Å; L78-F84 HydrophobicContact CD2-CG 4.36Å; L78-F84 HydrophobicContact CD2-CZ 4.47Å; L78-F84 HydrophobicContact CG-CE2 4.46Å; G81-F84 WeakPolarHBondContact O-CB 3.44Å; G81-F84 PolarHBondContact O-N 3.35Å; D82-F84 PolarHBondContact O-N 2.97Å; F84-F118 HydrophobicContact CB-CE1 4.18Å; F84-F118 HydrophobicContact CB-CE2 3.59Å; F84-F118 HydrophobicContact CB-CZ 3.36Å; F84-F118 HydrophobicContact CD1-CD1 4.42Å; F84-F118 AromaticContact CD1-CE1 3.44Å; F84-F118 HydrophobicContact CD1-CE1 3.44Å; F84-F118 VanDerWaalsContact CD1-CE1 3.44Å; F84-F118 HydrophobicContact CD1-CE2 4.42Å; F84-F118 AromaticContact CD1-CZ 3.44Å; F84-F118 HydrophobicContact CD1-CZ 3.44Å; F84-F118 VanDerWaalsContact CD1-CZ 3.44Å; F84-F118 HydrophobicContact CD2-CZ 4.06Å; F84-F118 AromaticContact CE1-CE1 3.96Å; F84-F118 HydrophobicContact CE1-CE1 3.96Å; F84-F118 HydrophobicContact CE1-CZ 4.21Å; F84-F118 AromaticContact CG-CE1 3.9Å; F84-F118 HydrophobicContact CG-CE1 3.9Å; F84-F118 HydrophobicContact CG-CE2 4.12Å; F84-F118 AromaticContact CG-CZ 3.35Å; F84-F118 HydrophobicContact CG-CZ 3.35Å; F84-S119 CarbonylContact C-O 3.56Å; F84-S119 WeakPolarHBondContact CA-O 3.1Å; F84-V120 HydrophobicContact CD1-CB 4.46Å; F84-V120 HydrophobicContact CD1-CG2 3.88Å; F84-V120 HydrophobicContact CE1-CG2 3.6Å; F84-V120 HydrophobicContact CZ-CG2 4.5Å; F84-T135 HydrophobicContact CE2-CG2 4.09Å; F84-T135 HydrophobicContact CZ-CG2 4.24Å; F84-L138 HydrophobicContact CE1-CB 3.73Å; F84-L138 HydrophobicContact CE1-CD1 4.3Å; F84-L138 HydrophobicContact CZ-CB 3.72Å; F84-L138 HydrophobicContact CZ-CD1 3.99Å; F84-F139 HydrophobicContact CE1-CD2 4.2Å; F84-F139 HydrophobicContact CE1-CE2 4.24Å; F84-F139 HydrophobicContact CE2-CE2 4.2Å; F84-F139 AromaticContact CZ-CD2 3.78Å; F84-F139 HydrophobicContact CZ-CD2 3.78Å; F84-F139 AromaticContact CZ-CE2 3.76Å; F84-F139 HydrophobicContact CZ-CE2 3.76Å
85	G	96.3	Very high	90.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	170.6	172.5	0	0	0	0	0	112.1	S119	G85-S119 PolarHBondContact N-O 2.92Å; G85-S119 PolarHBondContact O-N 3.22Å
86	L	96.3	Very high	90.4	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	120.8	167.3	-66.1	167.1	0	0	0	109.3	V47 L68 F69 V72 W97 L98 L116 R117 F118	V47-L86 HydrophobicContact CB-CD2 4.49Å; V47-L86 HydrophobicContact CG1-CD2 3.47Å; V47-L86 VanDerWaalsContact CG1-CD2 3.47Å; V47-L86 HydrophobicContact CG2-CD2 4.17Å; L68-L86 HydrophobicContact CD2-CD1 3.97Å; L68-L86 HydrophobicContact CG-CD1 3.88Å; F69-L86 HydrophobicContact CB-CD1 4.41Å; F69-L86 HydrophobicContact CD2-CD1 4.22Å; F69-L86 HydrophobicContact CD2-CG 4.02Å; V72-L86 HydrophobicContact CG2-CD1 4.47Å; L86-W97 WeakPolarHBondContact O-CA 3.14Å; L86-L98 HydrophobicContact CB-CB 4.14Å; L86-L98 HydrophobicContact CB-CD2 4.25Å; L86-L98 HydrophobicContact CD1-CD2 3.96Å; L86-L98 WeakPolarHBondContact O-CB 3.41Å; L86-L98 PolarHBondContact O-N 3.43Å; L86-L116 HydrophobicContact CB-CB 4.42Å; L86-L116 HydrophobicContact CB-CD2 4.02Å; L86-L116 HydrophobicContact CD1-CD2 4.12Å; L86-L116 HydrophobicContact CD2-CB 4.32Å; L86-R117 CarbonylContact C-O 3.55Å; L86-R117 WeakPolarHBondContact CA-O 3.16Å; L86-F118 HydrophobicContact CD2-CB 4.19Å; L86-F118 HydrophobicContact CD2-CD2 4.32Å
87	E	94.9	Very high	90.7	Very high	31 Å²	31	38.7 Å²	38.7	15%	0.145	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	154.7	169.5	63.5	161.2	-154.2	0	0	111.9	M95 V96 W97 L116 R117	E87-M95 HydrophobicContact CB-CE 4.29Å; E87-M95 VanDerWaalsContact CD-CE 3.42Å; E87-M95 HydrophobicContact CG-CE 3.82Å; E87-M95 WeakPolarHBondContact OE1-CE 3.41Å; E87-V96 WeakPolarHBondContact CA-O 3.33Å; E87-W97 HydrophobicContact CB-CD2 4.36Å; E87-W97 HydrophobicContact CB-CE3 3.84Å; E87-W97 HydrophobicContact CB-CZ3 3.98Å; E87-W97 HydrophobicContact CG-CZ3 4.37Å; E87-L116 CarbonylContact O-C 3.38Å; E87-L116 WeakPolarHBondContact O-CA 3.42Å; E87-R117 HydrophobicContact CG-CB 3.99Å; E87-R117 PolarHBondContact N-O 2.79Å; E87-R117 PolarHBondContact O-N 2.9Å; E87-R117 IonicContact OE1-CZ 2.79Å; E87-R117 IonicContact OE1-NH1 2.79Å; E87-R117 PolarHBondContact OE1-NH1 3.45Å
88	F	93.9	Very high	91.1	Very high	12 Å²	12	36.1 Å²	36.1	5%	0.053	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	156.3	175.1	69	-81.1	0	0	0	111.5	N90 M95 V96 L98 Q107 L108 T114 L116	F88-N90 HydrophobicContact CE2-CB 4.07Å; F88-N90 PolarHBondContact O-N 3.25Å; F88-M95 WeakPolarHBondContact O-CA 3.03Å; F88-V96 HydrophobicContact CD1-CG2 4.29Å; F88-V96 WeakPolarHBondContact CD1-O 3.32Å; F88-V96 HydrophobicContact CE1-CG2 3.85Å; F88-V96 HydrophobicContact CE2-CG2 4.1Å; F88-V96 HydrophobicContact CZ-CG2 3.75Å; F88-V96 PolarHBondContact N-O 2.89Å; F88-V96 PolarHBondContact O-N 2.9Å; F88-L98 HydrophobicContact CE1-CD1 4.16Å; F88-Q107 HydrophobicContact CZ-CB 4.23Å; F88-L108 HydrophobicContact CB-CD2 4.47Å; F88-L108 HydrophobicContact CD1-CD2 3.99Å; F88-L108 HydrophobicContact CD2-CD2 3.5Å; F88-L108 VanDerWaalsContact CD2-CD2 3.5Å; F88-L108 HydrophobicContact CE1-CD2 4.04Å; F88-L108 HydrophobicContact CE2-CD2 3.56Å; F88-L108 HydrophobicContact CG-CD2 3.73Å; F88-L108 HydrophobicContact CZ-CD2 3.84Å; F88-T114 HydrophobicContact CB-CG2 4.32Å; F88-T114 HydrophobicContact CD2-CG2 4.41Å; F88-L116 HydrophobicContact CB-CG 4.19Å
89	Q	90.8	Very high	91.1	Very high	113 Å²	113	36.2 Å²	36.2	53%	0.528	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	119.3	173	-161.5	176.8	41.1	0	0	110	S93 M95	Q89-S93 PolarHBondContact NE2-O 3.41Å; Q89-M95 HydrophobicContact CB-SD 3.66Å; Q89-M95 HydrophobicContact CG-SD 4.1Å
90	N	85.1	Confident	91.2	Very high	34 Å²	34	36.5 Å²	36.5	18%	0.182	18%	0.182	C	C	.	.			trans	-82.7	175.6	179.6	74.6	39.9	0	0	0	112.7	F88 K92 S93 M94 V96	F88-N90 HydrophobicContact CE2-CB 4.07Å; F88-N90 PolarHBondContact O-N 3.25Å; N90-K92 PolarHBondContact O-N 3.02Å; N90-K92 WeakPolarHBondContact OD1-CA 3.37Å; N90-K92 WeakPolarHBondContact OD1-CB 3.32Å; N90-K92 PolarHBondContact OD1-N 2.82Å; N90-S93 PolarHBondContact O-N 3.43Å; N90-M94 VanDerWaalsContact CG-O 3.25Å; N90-M94 PolarHBondContact N-O 3.11Å; N90-M94 PolarHBondContact ND2-O 2.86Å; N90-V96 HydrophobicContact CB-CG2 3.9Å; N90-V96 WeakPolarHBondContact ND2-CG1 3.18Å
91	H	81.4	Confident	91	Very high	114 Å²	114	40.8 Å²	40.8	53%	0.528	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	4.8	-178.7	71.4	-90.5	0	0	0	116.4
92	K	82.1	Confident	90.8	Very high	109 Å²	109	45 Å²	45	47%	0.474	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	21.2	172.3	-54	-170.1	176.5	-172.2	0	111.9	N90 M94 D303	N90-K92 PolarHBondContact O-N 3.02Å; N90-K92 WeakPolarHBondContact OD1-CA 3.37Å; N90-K92 WeakPolarHBondContact OD1-CB 3.32Å; N90-K92 PolarHBondContact OD1-N 2.82Å; K92-M94 PolarHBondContact O-N 2.8Å; K92-M94 VanDerWaalsContact O-N 3.09Å; K92-D303 IonicContact NZ-OD2 2.82Å; K92-D303 PolarHBondContact NZ-OD2 2.94Å
93	S	84.3	Confident	90.6	Very high	90 Å²	90	45.8 Å²	45.8	63%	0.629	23%	0.228	S	C	*	.	S	Bend	trans	61.1	11.9	-177.1	-51	0	0	0	0	115.6	Q89 N90	Q89-S93 PolarHBondContact NE2-O 3.41Å; N90-S93 PolarHBondContact O-N 3.43Å
94	M	85.2	Confident	90.3	Very high	43 Å²	43	46 Å²	46	21%	0.212	23%	0.229	C	C	.	.			trans	-89.7	132.5	177.1	-59.5	172	63	0	0	111.1	N90 K92 C304 V307	N90-M94 VanDerWaalsContact CG-O 3.25Å; N90-M94 PolarHBondContact N-O 3.11Å; N90-M94 PolarHBondContact ND2-O 2.86Å; K92-M94 PolarHBondContact O-N 2.8Å; K92-M94 VanDerWaalsContact O-N 3.09Å; M94-C304 HydrophobicContact CE-CB 4.37Å; M94-V307 HydrophobicContact CE-CG2 4.16Å
95	M	89.2	Confident	89.8	Confident	78 Å²	78	50.3 Å²	50.3	38%	0.384	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	134	166.5	-62.7	-53.4	-72.5	0	0	110.7	E87 F88 Q89	E87-M95 HydrophobicContact CB-CE 4.29Å; E87-M95 VanDerWaalsContact CD-CE 3.42Å; E87-M95 HydrophobicContact CG-CE 3.82Å; E87-M95 WeakPolarHBondContact OE1-CE 3.41Å; F88-M95 WeakPolarHBondContact O-CA 3.03Å; Q89-M95 HydrophobicContact CB-SD 3.66Å; Q89-M95 HydrophobicContact CG-SD 4.1Å
96	V	91.6	Very high	89.5	Confident	22 Å²	22	58.4 Å²	58.4	13%	0.133	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	144.7	177.9	-68.5	0	0	0	0	111.5	E87 F88 N90 V307	E87-V96 WeakPolarHBondContact CA-O 3.33Å; F88-V96 HydrophobicContact CD1-CG2 4.29Å; F88-V96 WeakPolarHBondContact CD1-O 3.32Å; F88-V96 HydrophobicContact CE1-CG2 3.85Å; F88-V96 HydrophobicContact CE2-CG2 4.1Å; F88-V96 HydrophobicContact CZ-CG2 3.75Å; F88-V96 PolarHBondContact N-O 2.89Å; F88-V96 PolarHBondContact O-N 2.9Å; N90-V96 HydrophobicContact CB-CG2 3.9Å; N90-V96 WeakPolarHBondContact ND2-CG1 3.18Å; V96-V307 HydrophobicContact CG1-CG1 4.31Å; V96-V307 HydrophobicContact CG1-CG2 3.67Å
97	W	94.3	Very high	89.2	Confident	53 Å²	53	60.2 Å²	60.2	20%	0.201	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	141.6	170.3	-60.6	111.8	0	0	0	112.2	L86 E87 D99 K121	L86-W97 WeakPolarHBondContact O-CA 3.14Å; E87-W97 HydrophobicContact CB-CD2 4.36Å; E87-W97 HydrophobicContact CB-CE3 3.84Å; E87-W97 HydrophobicContact CB-CZ3 3.98Å; E87-W97 HydrophobicContact CG-CZ3 4.37Å; W97-D99 PolarHBondContact O-N 2.91Å; W97-K121 HydrophobicContact CD2-CD 3.98Å; W97-K121 HydrophobicContact CD2-CG 4.1Å; W97-K121 HydrophobicContact CE3-CD 4.14Å; W97-K121 HydrophobicContact CE3-CG 4.37Å; W97-K121 HydrophobicContact CG-CD 4.36Å; W97-K121 HydrophobicContact CH2-CB 3.78Å; W97-K121 HydrophobicContact CH2-CG 4.1Å; W97-K121 HydrophobicContact CZ2-CB 3.92Å; W97-K121 HydrophobicContact CZ2-CG 3.79Å; W97-K121 HydrophobicContact CZ3-CB 4.11Å; W97-K121 HydrophobicContact CZ3-CD 4.5Å; W97-K121 HydrophobicContact CZ3-CG 4.37Å
98	L	93.4	Very high	88.8	Confident	3 Å²	3	59 Å²	59	2%	0.016	29%	0.289	C	S	.	.			trans	-63.1	124.7	170.3	-170.4	69.2	0	0	0	110.2	L68 L86 F88 H100 Q107 L116	L68-L98 HydrophobicContact CD2-CD2 4.23Å; L86-L98 HydrophobicContact CB-CB 4.14Å; L86-L98 HydrophobicContact CB-CD2 4.25Å; L86-L98 HydrophobicContact CD1-CD2 3.96Å; L86-L98 WeakPolarHBondContact O-CB 3.41Å; L86-L98 PolarHBondContact O-N 3.43Å; F88-L98 HydrophobicContact CE1-CD1 4.16Å; L98-H100 PolarHBondContact O-CD2 2.72Å; L98-H100 PolarHBondContact O-N 3.29Å; L98-Q107 HydrophobicContact CD1-CB 4.38Å; L98-L116 HydrophobicContact CD1-CD2 4.42Å; L98-L116 HydrophobicContact CD2-CD2 4.01Å
99	D	91.1	Very high	88.1	Confident	11 Å²	11	67.8 Å²	67.8	6%	0.059	32%	0.322	C	S	.	.			trans	-80.4	103.9	-177.2	-160	-70.1	0	0	0	109	W97 I101 K102 Q107 K310	W97-D99 PolarHBondContact O-N 2.91Å; D99-I101 PolarHBondContact O-N 2.89Å; D99-K102 HydrophobicContact CB-CB 4.3Å; D99-K102 HydrophobicContact CB-CD 3.92Å; D99-K102 HydrophobicContact CB-CG 4.23Å; D99-K102 PolarHBondContact O-N 3.09Å; D99-K102 IonicContact OD1-NZ 2.72Å; D99-K102 IonicContact OD2-NZ 2.84Å; D99-K102 PolarHBondContact OD2-NZ 2.95Å; D99-Q107 PolarHBondContact O-NE2 3.1Å; D99-K310 VanDerWaalsContact OD2-CE 3.32Å; D99-K310 WeakPolarHBondContact OD2-CE 3.37Å; D99-K310 IonicContact OD2-NZ 3.73Å; D99-K310 PolarHBondContact OD2-NZ 3.44Å
100	H	91.1	Very high	87.6	Confident	25 Å²	25	71 Å²	71	12%	0.116	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-32.4	-171	-69.1	-178.8	0	0	0	113.9	S64 G65 K66 F69 L98 S343	S64-H100 WeakPolarHBondContact CB-O 3.4Å; S64-H100 PolarHBondContact OG-O 3.16Å; G65-H100 PolarHBondContact N-O 3.45Å; K66-H100 HydrophobicContact CB-CB 4.09Å; K66-H100 PolarHBondContact N-O 2.93Å; F69-H100 AromaticContact CD1-CE1 3.9Å; L98-H100 PolarHBondContact O-CD2 2.72Å; L98-H100 PolarHBondContact O-N 3.29Å; H100-S343 PolarHBondContact ND1-O 3.38Å
101	I	88.4	Confident	87.2	Confident	90 Å²	90	70.3 Å²	70.3	46%	0.462	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-23.5	-177.5	-59.8	172.4	0	0	0	112.3	D99	D99-I101 PolarHBondContact O-N 2.89Å
102	K	89.9	Confident	87	Confident	92 Å²	92	71.8 Å²	71.8	40%	0.4	33%	0.332	S	S	.	.	S	Bend	trans	-95	142.6	-170.6	-69.4	176.9	-170	136.6	0	112.9	S64 G65 D99 I104 Q107	S64-K102 CarbonylContact C-O 3.53Å; S64-K102 WeakPolarHBondContact CA-O 3.34Å; G65-K102 PolarHBondContact N-O 2.9Å; D99-K102 HydrophobicContact CB-CB 4.3Å; D99-K102 HydrophobicContact CB-CD 3.92Å; D99-K102 HydrophobicContact CB-CG 4.23Å; D99-K102 PolarHBondContact O-N 3.09Å; D99-K102 IonicContact OD1-NZ 2.72Å; D99-K102 IonicContact OD2-NZ 2.84Å; D99-K102 PolarHBondContact OD2-NZ 2.95Å; K102-I104 PolarHBondContact O-N 2.78Å; K102-Q107 HydrophobicContact CB-CG 4.06Å; K102-Q107 PolarHBondContact O-NE2 3.47Å; K102-Q107 VanDerWaalsContact O-NE2 3.1Å
103	P	90.3	Very high	87	Confident	39 Å²	39	72.9 Å²	72.9	25%	0.253	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-54.4	133.8	169.4	-26.5	35.1	0	0	0	112.2	A63 I105 K106	A63-P103 CarbonylContact O-C 3.48Å; A63-P103 VanDerWaalsContact O-CA 3.23Å; A63-P103 WeakPolarHBondContact O-CA 3.41Å; P103-I105 VanDerWaalsContact C-N 3.28Å; P103-I105 HydrophobicContact CB-CG2 4.34Å; P103-I105 PolarHBondContact O-N 3.37Å; P103-K106 HydrophobicContact CB-CD 4.38Å; P103-K106 HydrophobicContact CB-CG 4.25Å; P103-K106 HydrophobicContact CG-CD 4.23Å; P103-K106 WeakPolarHBondContact O-CA 3.18Å; P103-K106 WeakPolarHBondContact O-CB 3.49Å; P103-K106 PolarHBondContact O-N 3.2Å
104	I	89.2	Confident	87.1	Confident	6 Å²	6	70 Å²	70	3%	0.031	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-57.9	-40.9	-174.1	-64.8	161.9	0	0	0	111.3	V59 A63 L68 K102 K106 Q107 L108	V59-I104 HydrophobicContact CG2-CD1 3.87Å; A63-I104 HydrophobicContact CB-CD1 4.24Å; A63-I104 PolarHBondContact O-N 2.9Å; L68-I104 HydrophobicContact CB-CD1 3.63Å; L68-I104 HydrophobicContact CD2-CD1 4.14Å; K102-I104 PolarHBondContact O-N 2.78Å; I104-K106 PolarHBondContact O-N 3.04Å; I104-K106 VanDerWaalsContact O-N 3.13Å; I104-Q107 WeakPolarHBondContact O-CB 3.36Å; I104-Q107 PolarHBondContact O-N 3Å; I104-L108 HydrophobicContact CG2-CD1 3.55Å; I104-L108 HydrophobicContact CG2-CG 4.02Å; I104-L108 PolarHBondContact O-N 3.26Å
105	I	87.6	Confident	87.4	Confident	91 Å²	91	70.8 Å²	70.8	47%	0.467	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-63.2	-15.1	176	-160.2	167	0	0	0	114.2	Q61 P103	Q61-I105 VanDerWaalsContact O-CG2 3.31Å; Q61-I105 WeakPolarHBondContact O-CG2 3.32Å; P103-I105 VanDerWaalsContact C-N 3.28Å; P103-I105 HydrophobicContact CB-CG2 4.34Å; P103-I105 PolarHBondContact O-N 3.37Å
106	K	88.8	Confident	87.7	Confident	170 Å²	170	67 Å²	67	74%	0.739	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-94.2	3.9	172.8	-62.4	-173.6	179.9	-177	0	112.9	P103 I104	P103-K106 HydrophobicContact CB-CD 4.38Å; P103-K106 HydrophobicContact CB-CG 4.25Å; P103-K106 HydrophobicContact CG-CD 4.23Å; P103-K106 WeakPolarHBondContact O-CA 3.18Å; P103-K106 WeakPolarHBondContact O-CB 3.49Å; P103-K106 PolarHBondContact O-N 3.2Å; I104-K106 PolarHBondContact O-N 3.04Å; I104-K106 VanDerWaalsContact O-N 3.13Å
107	Q	89.8	Confident	87.9	Confident	38 Å²	38	69.2 Å²	69.2	18%	0.178	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-48	-179.4	-51.4	-164.1	69.2	0	0	111.3	F88 L98 D99 K102 I104	F88-Q107 HydrophobicContact CZ-CB 4.23Å; L98-Q107 HydrophobicContact CD1-CB 4.38Å; D99-Q107 PolarHBondContact O-NE2 3.1Å; K102-Q107 HydrophobicContact CB-CG 4.06Å; K102-Q107 PolarHBondContact O-NE2 3.47Å; K102-Q107 VanDerWaalsContact O-NE2 3.1Å; I104-Q107 WeakPolarHBondContact O-CB 3.36Å; I104-Q107 PolarHBondContact O-N 3Å
108	L	87.7	Confident	88	Confident	5 Å²	5	66.8 Å²	66.8	3%	0.026	31%	0.307	C	S	.	.			trans	-93.8	124.1	179.4	-51.4	-178.4	0	0	0	110.3	F88 I104 P111 T114 L116	F88-L108 HydrophobicContact CB-CD2 4.47Å; F88-L108 HydrophobicContact CD1-CD2 3.99Å; F88-L108 HydrophobicContact CD2-CD2 3.5Å; F88-L108 VanDerWaalsContact CD2-CD2 3.5Å; F88-L108 HydrophobicContact CE1-CD2 4.04Å; F88-L108 HydrophobicContact CE2-CD2 3.56Å; F88-L108 HydrophobicContact CG-CD2 3.73Å; F88-L108 HydrophobicContact CZ-CD2 3.84Å; I104-L108 HydrophobicContact CG2-CD1 3.55Å; I104-L108 HydrophobicContact CG2-CG 4.02Å; I104-L108 PolarHBondContact O-N 3.26Å; L108-P111 HydrophobicContact CB-CB 4.39Å; L108-P111 HydrophobicContact CB-CG 4.01Å; L108-P111 HydrophobicContact CD1-CB 4.12Å; L108-T114 HydrophobicContact CD2-CG2 4.16Å; L108-L116 HydrophobicContact CD1-CD1 3.86Å
109	R	78.6	Confident	88.2	Confident	197 Å²	197	66.9 Å²	66.9	74%	0.743	31%	0.307	S	S	*	.	S	Bend	trans	-71.3	-35	177.5	-80.4	-174	174	179.6	-2.8	113.3
110	R	80.5	Confident	88.4	Confident	182 Å²	182	66.5 Å²	66.5	69%	0.687	31%	0.305	S	S	*	.	S	Bend	trans	-141.8	81.4	178.9	-72.8	-176.5	172.2	164.4	-4.5	108.7	K112 N113 T114	R110-K112 VanDerWaalsContact C-N 3.32Å; R110-K112 PolarHBondContact O-N 2.95Å; R110-N113 HydrophobicContact CB-CB 4.1Å; R110-N113 CarbonylContact O-C 3.41Å; R110-N113 PolarHBondContact O-N 3.29Å; R110-T114 PolarHBondContact O-N 2.98Å; R110-T114 PolarHBondContact O-OG1 2.75Å
111	P	77.7	Confident	88.7	Confident	19 Å²	19	65.6 Å²	65.6	12%	0.123	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-53.6	-45.4	-173.5	-24.7	31	0	0	0	113.5	V43 V45 L108 N113 T114	V43-P111 HydrophobicContact CG1-CB 3.33Å; V43-P111 HydrophobicContact CG1-CG 3.69Å; V45-P111 HydrophobicContact CG2-CB 4.22Å; L108-P111 HydrophobicContact CB-CB 4.39Å; L108-P111 HydrophobicContact CB-CG 4.01Å; L108-P111 HydrophobicContact CD1-CB 4.12Å; P111-N113 PolarHBondContact O-N 2.76Å; P111-T114 PolarHBondContact O-N 2.68Å
112	K	76.5	Confident	89	Confident	145 Å²	145	61.5 Å²	61.5	63%	0.63	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-61.6	-9.6	176.8	-65.5	-162.6	170.1	-155.4	0	115.4	R110	R110-K112 VanDerWaalsContact C-N 3.32Å; R110-K112 PolarHBondContact O-N 2.95Å
113	N	81.6	Confident	89.2	Confident	132 Å²	132	57.5 Å²	57.5	71%	0.706	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-125.6	18.9	179.9	-55.6	76.5	0	0	0	111	R110 P111	R110-N113 HydrophobicContact CB-CB 4.1Å; R110-N113 CarbonylContact O-C 3.41Å; R110-N113 PolarHBondContact O-N 3.29Å; P111-N113 PolarHBondContact O-N 2.76Å
114	T	87.1	Confident	89.3	Confident	29 Å²	29	55.7 Å²	55.7	18%	0.178	25%	0.251	C	S	.	.			trans	-129.6	103.7	179.2	-46.7	0	0	0	0	108.8	F88 L108 R110 P111 L116	F88-T114 HydrophobicContact CB-CG2 4.32Å; F88-T114 HydrophobicContact CD2-CG2 4.41Å; L108-T114 HydrophobicContact CD2-CG2 4.16Å; R110-T114 PolarHBondContact O-N 2.98Å; R110-T114 PolarHBondContact O-OG1 2.75Å; P111-T114 PolarHBondContact O-N 2.68Å; T114-L116 VanDerWaalsContact O-CD1 3.31Å; T114-L116 WeakPolarHBondContact O-CD1 3.31Å
115	T	91.3	Very high	89	Confident	59 Å²	59	57.9 Å²	57.9	36%	0.362	27%	0.266	S	S	.	.			trans	-72.4	126.3	168.7	-49.3	0	0	0	0	109	T46 R48	T46-T115 HydrophobicContact CG2-CG2 4.17Å; T46-T115 WeakPolarHBondContact O-CA 3.34Å; R48-T115 HydrophobicContact CB-CG2 3.89Å
116	L	95.1	Very high	88.8	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	149.5	168.7	-66.7	67.9	0	0	0	107.8	V45 T46 V47 R48 L68 L86 E87 F88 L98 L108 T114	V45-L116 HydrophobicContact CG1-CD1 3.42Å; V45-L116 VanDerWaalsContact CG1-CD1 3.42Å; V45-L116 HydrophobicContact CG1-CD2 4.45Å; T46-L116 PolarHBondContact O-N 3.26Å; V47-L116 CarbonylContact C-O 3.43Å; V47-L116 WeakPolarHBondContact CA-O 3.39Å; V47-L116 HydrophobicContact CG2-CB 4.47Å; R48-L116 PolarHBondContact N-O 3.27Å; L68-L116 HydrophobicContact CD2-CD2 3.84Å; L86-L116 HydrophobicContact CB-CB 4.42Å; L86-L116 HydrophobicContact CB-CD2 4.02Å; L86-L116 HydrophobicContact CD1-CD2 4.12Å; L86-L116 HydrophobicContact CD2-CB 4.32Å; E87-L116 CarbonylContact O-C 3.38Å; E87-L116 WeakPolarHBondContact O-CA 3.42Å; F88-L116 HydrophobicContact CB-CG 4.19Å; L98-L116 HydrophobicContact CD1-CD2 4.42Å; L98-L116 HydrophobicContact CD2-CD2 4.01Å; L108-L116 HydrophobicContact CD1-CD1 3.86Å; T114-L116 VanDerWaalsContact O-CD1 3.31Å; T114-L116 WeakPolarHBondContact O-CD1 3.31Å
117	R	95.9	Very high	88.3	Confident	68 Å²	68	48.2 Å²	48.2	26%	0.257	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.6	172.5	-56.9	176.5	68.7	-128.5	-1.8	109.3	L86 E87	L86-R117 CarbonylContact C-O 3.55Å; L86-R117 WeakPolarHBondContact CA-O 3.16Å; E87-R117 HydrophobicContact CG-CB 3.99Å; E87-R117 PolarHBondContact N-O 2.79Å; E87-R117 PolarHBondContact O-N 2.9Å; E87-R117 IonicContact OE1-CZ 2.79Å; E87-R117 IonicContact OE1-NH1 2.79Å; E87-R117 PolarHBondContact OE1-NH1 3.45Å
118	F	97.2	Very high	87.9	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.009	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	130.9	162.1	-174.4	-101.5	0	0	0	108.5	V47 R48 M49 L50 F69 V72 M76 L78 F84 L86 L138	V47-F118 HydrophobicContact CG1-CB 4.16Å; R48-F118 PolarHBondContact O-N 2.88Å; M49-F118 HydrophobicContact CE-CG 4.48Å; M49-F118 HydrophobicContact SD-CB 4.2Å; L50-F118 HydrophobicContact CD1-CD1 3.8Å; L50-F118 HydrophobicContact CD1-CE1 3.88Å; L50-F118 HydrophobicContact CG-CD1 4.04Å; F69-F118 HydrophobicContact CE2-CD2 4.33Å; F69-F118 AromaticContact CE2-CE2 3.88Å; F69-F118 HydrophobicContact CE2-CE2 3.88Å; V72-F118 HydrophobicContact CG1-CD2 3.76Å; V72-F118 HydrophobicContact CG1-CE2 4.13Å; V72-F118 HydrophobicContact CG1-CG 4.44Å; M76-F118 HydrophobicContact CE-CD1 4.39Å; M76-F118 HydrophobicContact CE-CD2 4.36Å; M76-F118 HydrophobicContact CE-CE1 3.9Å; M76-F118 HydrophobicContact CE-CE2 3.85Å; M76-F118 HydrophobicContact CE-CZ 3.6Å; M76-F118 HydrophobicContact SD-CE1 4.27Å; L78-F118 HydrophobicContact CD2-CE1 4.36Å; L78-F118 HydrophobicContact CD2-CE2 4.43Å; L78-F118 HydrophobicContact CD2-CZ 3.59Å; F84-F118 HydrophobicContact CB-CE1 4.18Å; F84-F118 HydrophobicContact CB-CE2 3.59Å; F84-F118 HydrophobicContact CB-CZ 3.36Å; F84-F118 HydrophobicContact CD1-CD1 4.42Å; F84-F118 AromaticContact CD1-CE1 3.44Å; F84-F118 HydrophobicContact CD1-CE1 3.44Å; F84-F118 VanDerWaalsContact CD1-CE1 3.44Å; F84-F118 HydrophobicContact CD1-CE2 4.42Å; F84-F118 AromaticContact CD1-CZ 3.44Å; F84-F118 HydrophobicContact CD1-CZ 3.44Å; F84-F118 VanDerWaalsContact CD1-CZ 3.44Å; F84-F118 HydrophobicContact CD2-CZ 4.06Å; F84-F118 AromaticContact CE1-CE1 3.96Å; F84-F118 HydrophobicContact CE1-CE1 3.96Å; F84-F118 HydrophobicContact CE1-CZ 4.21Å; F84-F118 AromaticContact CG-CE1 3.9Å; F84-F118 HydrophobicContact CG-CE1 3.9Å; F84-F118 HydrophobicContact CG-CE2 4.12Å; F84-F118 AromaticContact CG-CZ 3.35Å; F84-F118 HydrophobicContact CG-CZ 3.35Å; L86-F118 HydrophobicContact CD2-CB 4.19Å; L86-F118 HydrophobicContact CD2-CD2 4.32Å; F118-L138 HydrophobicContact CE1-CD1 4.44Å
119	S	96.7	Very high	87.7	Confident	4 Å²	4	51.5 Å²	51.5	3%	0.028	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	155.6	-175.5	-66.4	0	0	0	0	111.2	F84 G85 K121	F84-S119 CarbonylContact C-O 3.56Å; F84-S119 WeakPolarHBondContact CA-O 3.1Å; G85-S119 PolarHBondContact N-O 2.92Å; G85-S119 PolarHBondContact O-N 3.22Å; S119-K121 PolarHBondContact O-N 2.91Å
120	V	96.6	Very high	88.3	Confident	3 Å²	3	42.2 Å²	42.2	2%	0.018	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	128.5	172.5	178.5	0	0	0	0	108.7	F84 F123 F139 Q142	F84-V120 HydrophobicContact CD1-CB 4.46Å; F84-V120 HydrophobicContact CD1-CG2 3.88Å; F84-V120 HydrophobicContact CE1-CG2 3.6Å; F84-V120 HydrophobicContact CZ-CG2 4.5Å; V120-F123 HydrophobicContact CB-CE1 4.13Å; V120-F123 HydrophobicContact CB-CE2 3.95Å; V120-F123 HydrophobicContact CB-CZ 3.66Å; V120-F123 HydrophobicContact CG1-CD1 4.03Å; V120-F123 HydrophobicContact CG1-CD2 3.84Å; V120-F123 HydrophobicContact CG1-CE1 3.81Å; V120-F123 HydrophobicContact CG1-CE2 3.6Å; V120-F123 HydrophobicContact CG1-CG 4.05Å; V120-F123 HydrophobicContact CG1-CZ 3.6Å; V120-F139 HydrophobicContact CB-CZ 4.49Å; V120-F139 HydrophobicContact CG1-CD1 4.25Å; V120-F139 HydrophobicContact CG1-CE1 3.55Å; V120-F139 HydrophobicContact CG1-CE2 4.01Å; V120-F139 HydrophobicContact CG1-CZ 3.43Å; V120-F139 VanDerWaalsContact CG1-CZ 3.43Å; V120-F139 HydrophobicContact CG2-CD1 4.26Å; V120-F139 HydrophobicContact CG2-CD2 3.96Å; V120-F139 HydrophobicContact CG2-CE1 4.3Å; V120-F139 HydrophobicContact CG2-CE2 4.02Å; V120-F139 HydrophobicContact CG2-CG 4.11Å; V120-F139 HydrophobicContact CG2-CZ 4.2Å; V120-Q142 HydrophobicContact CB-CB 4.43Å; V120-Q142 HydrophobicContact CB-CG 3.88Å; V120-Q142 HydrophobicContact CG2-CB 3.65Å; V120-Q142 HydrophobicContact CG2-CG 3.66Å
121	K	95.6	Very high	88.7	Confident	7 Å²	7	36 Å²	36	3%	0.03	19%	0.194	C	C	.	.			trans	-102.3	-33.9	-177.9	-176.9	172	179.1	-175.6	0	112.2	Y83 W97 S119 E314 Y315	Y83-K121 WeakPolarHBondContact O-CA 3.27Å; Y83-K121 PolarHBondContact O-N 3.31Å; W97-K121 HydrophobicContact CD2-CD 3.98Å; W97-K121 HydrophobicContact CD2-CG 4.1Å; W97-K121 HydrophobicContact CE3-CD 4.14Å; W97-K121 HydrophobicContact CE3-CG 4.37Å; W97-K121 HydrophobicContact CG-CD 4.36Å; W97-K121 HydrophobicContact CH2-CB 3.78Å; W97-K121 HydrophobicContact CH2-CG 4.1Å; W97-K121 HydrophobicContact CZ2-CB 3.92Å; W97-K121 HydrophobicContact CZ2-CG 3.79Å; W97-K121 HydrophobicContact CZ3-CB 4.11Å; W97-K121 HydrophobicContact CZ3-CD 4.5Å; W97-K121 HydrophobicContact CZ3-CG 4.37Å; S119-K121 PolarHBondContact O-N 2.91Å; K121-E314 WeakPolarHBondContact CE-OE1 3.43Å; K121-E314 IonicContact NZ-OE1 3.54Å; K121-E314 PolarHBondContact NZ-OE1 2.64Å; K121-E314 IonicContact NZ-OE2 3.3Å; K121-Y315 WeakPolarHBondContact O-CE2 3.15Å; K121-Y315 VanDerWaalsContact O-CZ 3.25Å; K121-Y315 PolarHBondContact O-OH 3.02Å
122	F	96.1	Very high	89.2	Confident	3 Å²	3	36.8 Å²	36.8	1%	0.013	20%	0.196	C	C	.	.			trans	-129.1	118.8	-178	-56.8	-69.2	0	0	0	111	D82 Y83 E314 Y315 F318 F319 F342	D82-F122 WeakPolarHBondContact O-CD2 3.49Å; D82-F122 WeakPolarHBondContact O-CE2 3.34Å; Y83-F122 HydrophobicContact CD1-CB 4.38Å; Y83-F122 PolarHBondContact O-N 3.38Å; F122-E314 HydrophobicContact CE1-CB 4.02Å; F122-E314 HydrophobicContact CZ-CB 4.01Å; F122-Y315 HydrophobicContact CD1-CD1 4.46Å; F122-Y315 AromaticContact CD1-CD2 3.62Å; F122-Y315 HydrophobicContact CD1-CD2 3.62Å; F122-Y315 HydrophobicContact CD1-CE1 4.44Å; F122-Y315 AromaticContact CD1-CE2 3.56Å; F122-Y315 HydrophobicContact CD1-CE2 3.56Å; F122-Y315 HydrophobicContact CD1-CG 4.07Å; F122-Y315 AromaticContact CD1-CZ 3.99Å; F122-Y315 AromaticContact CE1-CD2 3.65Å; F122-Y315 HydrophobicContact CE1-CD2 3.65Å; F122-Y315 AromaticContact CE1-CE2 3.92Å; F122-Y315 HydrophobicContact CE1-CE2 3.92Å; F122-Y315 HydrophobicContact CE1-CG 4.26Å; F122-F318 HydrophobicContact CB-CD1 3.6Å; F122-F318 HydrophobicContact CB-CE1 3.54Å; F122-F318 HydrophobicContact CB-CG 4.38Å; F122-F318 HydrophobicContact CB-CZ 4.29Å; F122-F318 HydrophobicContact CD1-CB 4.04Å; F122-F318 AromaticContact CD1-CD1 3.96Å; F122-F318 HydrophobicContact CD1-CD1 3.96Å; F122-F318 HydrophobicContact CD1-CG 4.09Å; F122-F318 HydrophobicContact CD2-CB 4.37Å; F122-F318 AromaticContact CD2-CD1 3.84Å; F122-F318 HydrophobicContact CD2-CD1 3.84Å; F122-F318 AromaticContact CD2-CD2 3.88Å; F122-F318 HydrophobicContact CD2-CD2 3.88Å; F122-F318 HydrophobicContact CD2-CE1 4.02Å; F122-F318 HydrophobicContact CD2-CE2 4.07Å; F122-F318 AromaticContact CD2-CG 3.76Å; F122-F318 HydrophobicContact CD2-CG 3.76Å; F122-F318 HydrophobicContact CD2-CZ 4.13Å; F122-F318 HydrophobicContact CE1-CB 3.87Å; F122-F318 HydrophobicContact CE1-CG 4.28Å; F122-F318 HydrophobicContact CE2-CB 4.21Å; F122-F318 HydrophobicContact CE2-CD1 4.48Å; F122-F318 AromaticContact CE2-CD2 3.93Å; F122-F318 HydrophobicContact CE2-CD2 3.93Å; F122-F318 HydrophobicContact CE2-CE2 4.43Å; F122-F318 AromaticContact CE2-CG 3.96Å; F122-F318 HydrophobicContact CE2-CG 3.96Å; F122-F318 HydrophobicContact CG-CB 4.28Å; F122-F318 AromaticContact CG-CD1 3.54Å; F122-F318 HydrophobicContact CG-CD1 3.54Å; F122-F318 HydrophobicContact CG-CD2 4.4Å; F122-F318 AromaticContact CG-CE1 3.88Å; F122-F318 HydrophobicContact CG-CE1 3.88Å; F122-F318 AromaticContact CG-CG 3.82Å; F122-F318 HydrophobicContact CG-CG 3.82Å; F122-F318 HydrophobicContact CG-CZ 4.45Å; F122-F318 HydrophobicContact CZ-CB 3.95Å; F122-F318 HydrophobicContact CZ-CD2 4.5Å; F122-F318 HydrophobicContact CZ-CG 4.21Å; F122-F319 HydrophobicContact CB-CE2 3.83Å; F122-F319 HydrophobicContact CB-CZ 3.75Å; F122-F319 HydrophobicContact CD1-CE2 4.11Å; F122-F319 HydrophobicContact CG-CE2 4.37Å; F122-F342 HydrophobicContact CE2-CE2 4.19Å; F122-F342 AromaticContact CZ-CE2 3.89Å; F122-F342 HydrophobicContact CZ-CE2 3.89Å
123	F	94.3	Very high	89.8	Confident	9 Å²	9	33.3 Å²	33.3	4%	0.039	18%	0.181	C	C	.	.			trans	-99.7	114.1	178.9	-67.9	-100.4	0	0	0	110.7	V120 F139 Q142 Y228 F319	V120-F123 HydrophobicContact CB-CE1 4.13Å; V120-F123 HydrophobicContact CB-CE2 3.95Å; V120-F123 HydrophobicContact CB-CZ 3.66Å; V120-F123 HydrophobicContact CG1-CD1 4.03Å; V120-F123 HydrophobicContact CG1-CD2 3.84Å; V120-F123 HydrophobicContact CG1-CE1 3.81Å; V120-F123 HydrophobicContact CG1-CE2 3.6Å; V120-F123 HydrophobicContact CG1-CG 4.05Å; V120-F123 HydrophobicContact CG1-CZ 3.6Å; F123-F139 HydrophobicContact CD1-CD1 4.34Å; F123-F139 HydrophobicContact CD1-CE1 4.01Å; F123-F139 HydrophobicContact CE1-CE1 4.49Å; F123-Q142 HydrophobicContact CE1-CG 4.16Å; F123-Q142 HydrophobicContact CZ-CG 3.85Å; F123-Y228 HydrophobicContact CB-CD1 4.41Å; F123-Y228 HydrophobicContact CB-CE1 3.91Å; F123-Y228 HydrophobicContact CD1-CE1 4.15Å; F123-Y228 HydrophobicContact CD1-CE2 4.29Å; F123-Y228 AromaticContact CD1-CZ 3.94Å; F123-F319 WeakPolarHBondContact O-CZ 3.33Å
124	P	90.9	Very high	90.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.152	C	C	.	.			trans	-71.8	159.8	-179.7	31.7	-35.1	0	0	0	111.9	Y83 D126 L130 Y228 F319	Y83-P124 HydrophobicContact CE1-CB 4.31Å; Y83-P124 HydrophobicContact CE1-CG 4.25Å; P124-D126 PolarHBondContact O-N 3.44Å; P124-L130 HydrophobicContact CG-CD2 4.03Å; P124-L130 HydrophobicContact CG-CG 4.33Å; P124-Y228 WeakPolarHBondContact O-CE1 3.01Å; P124-F319 HydrophobicContact CB-CE1 4.32Å
125	P	83.8	Confident	90.6	Very high	53 Å²	53	26.3 Å²	26.3	34%	0.344	14%	0.143	S	C	.	.	S	Bend	trans	-62.8	-25.4	174.2	23.4	-32.7	0	0	0	114.1
126	D	82.6	Confident	90.7	Very high	56 Å²	56	25.9 Å²	25.9	30%	0.299	14%	0.135	S	C	.	.			trans	-150	119.7	-163.6	154.1	31.7	0	0	0	106.5	P124 A128 Q129	P124-D126 PolarHBondContact O-N 3.44Å; D126-A128 VanDerWaalsContact C-N 3.31Å; D126-A128 VanDerWaalsContact OD1-CB 3.25Å; D126-A128 WeakPolarHBondContact OD1-CB 3.27Å; D126-A128 PolarHBondContact OD1-N 3.36Å; D126-Q129 HydrophobicContact CB-CG 4.42Å; D126-Q129 WeakPolarHBondContact O-CB 3.18Å; D126-Q129 WeakPolarHBondContact O-CG 3.49Å; D126-Q129 PolarHBondContact O-N 3.36Å; D126-Q129 WeakPolarHBondContact OD2-CG 3.34Å; D126-Q129 PolarHBondContact OD2-NE2 3.16Å
127	H	79.4	Confident	90.6	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-84.5	-4.2	-174.9	64.9	-95.9	0	0	0	112.6	Q129 L130 F216 L219 E220	H127-Q129 PolarHBondContact O-N 2.86Å; H127-L130 HydrophobicContact CB-CD1 4.1Å; H127-L130 HydrophobicContact CB-CG 4.38Å; H127-L130 WeakPolarHBondContact O-CB 3.49Å; H127-L130 PolarHBondContact O-N 3.13Å; H127-F216 AromaticContact CD2-CD2 3.66Å; H127-F216 AromaticContact CD2-CE2 3.57Å; H127-F216 AromaticContact NE2-CD2 3.48Å; H127-F216 WeakPolarHBondContact NE2-CD2 3.34Å; H127-F216 AromaticContact NE2-CE1 3.95Å; H127-F216 AromaticContact NE2-CE2 3.21Å; H127-F216 WeakPolarHBondContact NE2-CE2 3.36Å; H127-F216 AromaticContact NE2-CG 3.96Å; H127-F216 AromaticContact NE2-CZ 3.47Å; H127-F216 WeakPolarHBondContact NE2-CZ 3.31Å; H127-L219 HydrophobicContact CB-CB 4.12Å; H127-L219 HydrophobicContact CB-CD1 4.2Å; H127-L219 VanDerWaalsContact CE1-C 3.44Å; H127-L219 PolarHBondContact ND1-O 2.94Å; H127-E220 PolarHBondContact CE1-N 3.37Å; H127-E220 VanDerWaalsContact CE1-N 3.27Å; H127-E220 IonicContact CE1-OE1 2.6Å; H127-E220 PolarHBondContact CE1-OE1 3.46Å; H127-E220 VanDerWaalsContact CE1-OE1 3.32Å
128	A	80.4	Confident	90.6	Very high	60 Å²	60	23.4 Å²	23.4	50%	0.496	13%	0.126	S	C	.	.	G	3₁₀ helix	trans	-68.1	-5.2	164.6	0	0	0	0	0	112	D126	D126-A128 VanDerWaalsContact C-N 3.31Å; D126-A128 VanDerWaalsContact OD1-CB 3.25Å; D126-A128 WeakPolarHBondContact OD1-CB 3.27Å; D126-A128 PolarHBondContact OD1-N 3.36Å
129	Q	85.2	Confident	90.6	Very high	52 Å²	52	23.3 Å²	23.3	24%	0.243	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-88.7	-1.2	168.6	-55.2	171.6	17.6	0	0	113	Y83 D126 H127 I351	Y83-Q129 PolarHBondContact OH-O 3.02Å; D126-Q129 HydrophobicContact CB-CG 4.42Å; D126-Q129 WeakPolarHBondContact O-CB 3.18Å; D126-Q129 WeakPolarHBondContact O-CG 3.49Å; D126-Q129 PolarHBondContact O-N 3.36Å; D126-Q129 WeakPolarHBondContact OD2-CG 3.34Å; D126-Q129 PolarHBondContact OD2-NE2 3.16Å; H127-Q129 PolarHBondContact O-N 2.86Å; Q129-I351 HydrophobicContact CB-CD1 4.21Å
130	L	90.6	Very high	90.5	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.016	13%	0.126	C	C	.	.			trans	-95.7	102.5	165.9	-53.3	-179.7	0	0	0	106.9	Y83 P124 H127 T135 R136 F139	Y83-L130 HydrophobicContact CD1-CD2 4.26Å; Y83-L130 HydrophobicContact CD2-CD2 3.85Å; Y83-L130 HydrophobicContact CE1-CD2 3.96Å; Y83-L130 HydrophobicContact CE2-CD2 3.5Å; Y83-L130 VanDerWaalsContact CE2-CD2 3.5Å; Y83-L130 HydrophobicContact CG-CD2 4.22Å; P124-L130 HydrophobicContact CG-CD2 4.03Å; P124-L130 HydrophobicContact CG-CG 4.33Å; H127-L130 HydrophobicContact CB-CD1 4.1Å; H127-L130 HydrophobicContact CB-CG 4.38Å; H127-L130 WeakPolarHBondContact O-CB 3.49Å; H127-L130 PolarHBondContact O-N 3.13Å; L130-T135 HydrophobicContact CB-CG2 4.06Å; L130-T135 HydrophobicContact CD1-CG2 4.32Å; L130-T135 HydrophobicContact CD2-CG2 3.87Å; L130-T135 HydrophobicContact CG-CG2 4.3Å; L130-R136 HydrophobicContact CB-CG 3.82Å; L130-R136 HydrophobicContact CD1-CG 4.26Å; L130-F139 HydrophobicContact CD1-CB 4.14Å; L130-F139 HydrophobicContact CD1-CD1 3.86Å; L130-F139 HydrophobicContact CD1-CD2 3.66Å; L130-F139 HydrophobicContact CD1-CE1 4.09Å; L130-F139 HydrophobicContact CD1-CE2 3.89Å; L130-F139 HydrophobicContact CD1-CG 3.62Å; L130-F139 HydrophobicContact CD1-CZ 4.09Å; L130-F139 HydrophobicContact CD2-CE2 3.95Å; L130-F139 HydrophobicContact CD2-CZ 4.01Å
131	L	88.1	Confident	90.5	Very high	52 Å²	52	24 Å²	24	27%	0.272	13%	0.129	S	C	.	.			trans	-80.9	-34.5	-167.2	-64.5	177	0	0	0	112.2	E80 I351 V354 R355	E80-L131 PolarHBondContact OE1-N 2.75Å; E80-L131 PolarHBondContact OE2-N 3.26Å; E80-L131 VanDerWaalsContact OE2-N 3.16Å; L131-I351 HydrophobicContact CD1-CG2 4.39Å; L131-V354 HydrophobicContact CB-CG1 3.87Å; L131-V354 HydrophobicContact CD1-CB 3.9Å; L131-V354 HydrophobicContact CD1-CG1 3.74Å; L131-V354 HydrophobicContact CG-CG1 4.46Å; L131-R355 HydrophobicContact CD1-CG 4.04Å
132	E	89.1	Confident	90.5	Very high	35 Å²	35	23.7 Å²	23.7	16%	0.164	13%	0.128	C	C	.	.	S	Bend	trans	-89.2	147.3	-178.4	-71.1	-64.9	100.3	0	0	112.8	I79 E80 T135 R136 K361	I79-E132 HydrophobicContact CD1-CG 4.09Å; E80-E132 PolarHBondContact OE2-N 2.92Å; E132-T135 WeakPolarHBondContact O-CB 3.11Å; E132-T135 PolarHBondContact O-N 3.3Å; E132-R136 PolarHBondContact O-N 2.91Å; E132-K361 WeakPolarHBondContact OE1-CE 3.35Å; E132-K361 IonicContact OE1-NZ 2.74Å
133	E	89.3	Confident	90.5	Very high	71 Å²	71	23.6 Å²	23.6	33%	0.332	13%	0.127	S	C	.	.	H	α-helix	trans	-67.7	-41.2	-179.8	-170.7	-176	140.7	0	0	111.8	T135 R136 Y137 A212 F364 R366	E133-T135 VanDerWaalsContact C-N 3.26Å; E133-T135 PolarHBondContact O-N 2.8Å; E133-R136 PolarHBondContact O-N 3.01Å; E133-R136 VanDerWaalsContact O-N 3.11Å; E133-Y137 PolarHBondContact O-N 2.82Å; E133-A212 HydrophobicContact CG-CB 4.1Å; E133-A212 WeakPolarHBondContact OE1-CB 3.46Å; E133-F364 HydrophobicContact CB-CE1 4.25Å; E133-F364 HydrophobicContact CG-CE1 4.19Å; E133-F364 HydrophobicContact CG-CZ 4.25Å; E133-R366 IonicContact OE1-CZ 3.21Å; E133-R366 VanDerWaalsContact OE1-CZ 3.25Å; E133-R366 IonicContact OE1-NH1 2.68Å; E133-R366 PolarHBondContact OE1-NH1 3.22Å; E133-R366 IonicContact OE1-NH2 2.8Å; E133-R366 PolarHBondContact OE1-NH2 3.19Å
134	L	90.8	Very high	90.5	Very high	15 Å²	15	25.4 Å²	25.4	8%	0.079	14%	0.135	C	C	.	.	H	α-helix	trans	-57.5	-40.5	175	176.4	62.4	0	0	0	111.6	I25 M76 L78 Y137 L138 F364	I25-L134 HydrophobicContact CG2-CD1 3.93Å; M76-L134 HydrophobicContact CB-CD2 4.45Å; M76-L134 WeakPolarHBondContact O-CD2 3.12Å; L78-L134 HydrophobicContact CD1-CD2 4.22Å; L78-L134 HydrophobicContact CD1-CG 4.33Å; L134-Y137 HydrophobicContact CD1-CD1 4.5Å; L134-Y137 PolarHBondContact O-N 2.85Å; L134-L138 HydrophobicContact CD1-CD1 4.15Å; L134-L138 HydrophobicContact CD1-CG 4.16Å; L134-L138 HydrophobicContact CG-CD1 4.03Å; L134-L138 HydrophobicContact CG-CG 4.47Å; L134-L138 WeakPolarHBondContact O-CB 3.23Å; L134-L138 VanDerWaalsContact O-CG 3.29Å; L134-L138 WeakPolarHBondContact O-CG 3.48Å; L134-L138 PolarHBondContact O-N 3.12Å; L134-F364 HydrophobicContact CB-CD1 3.94Å; L134-F364 HydrophobicContact CB-CE1 3.85Å; L134-F364 HydrophobicContact CB-CZ 4.38Å; L134-F364 HydrophobicContact CD1-CB 4.47Å; L134-F364 HydrophobicContact CD1-CD1 4.16Å; L134-F364 HydrophobicContact CD1-CD2 3.93Å; L134-F364 HydrophobicContact CD1-CE1 4.39Å; L134-F364 HydrophobicContact CD1-CE2 4.17Å; L134-F364 HydrophobicContact CD1-CG 3.92Å; L134-F364 HydrophobicContact CD1-CZ 4.4Å
135	T	93.9	Very high	90.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.2	-46.2	175.9	-49	0	0	0	0	110.9	E80 Y83 F84 L130 E132 E133 L138 F139	E80-T135 HydrophobicContact CB-CG2 4.05Å; E80-T135 WeakPolarHBondContact OE2-CB 3.32Å; E80-T135 WeakPolarHBondContact OE2-CG2 3.26Å; E80-T135 PolarHBondContact OE2-OG1 2.64Å; Y83-T135 HydrophobicContact CD2-CG2 4.49Å; F84-T135 HydrophobicContact CE2-CG2 4.09Å; F84-T135 HydrophobicContact CZ-CG2 4.24Å; L130-T135 HydrophobicContact CB-CG2 4.06Å; L130-T135 HydrophobicContact CD1-CG2 4.32Å; L130-T135 HydrophobicContact CD2-CG2 3.87Å; L130-T135 HydrophobicContact CG-CG2 4.3Å; E132-T135 WeakPolarHBondContact O-CB 3.11Å; E132-T135 PolarHBondContact O-N 3.3Å; E133-T135 VanDerWaalsContact C-N 3.26Å; E133-T135 PolarHBondContact O-N 2.8Å; T135-L138 PolarHBondContact O-N 3.26Å; T135-F139 HydrophobicContact CG2-CD2 4.15Å; T135-F139 HydrophobicContact CG2-CE2 4.12Å; T135-F139 VanDerWaalsContact O-CD2 3.3Å; T135-F139 WeakPolarHBondContact O-CD2 3.49Å; T135-F139 PolarHBondContact O-N 2.86Å
136	R	93.8	Very high	91.2	Very high	49 Å²	49	23.8 Å²	23.8	19%	0.185	12%	0.123	C	C	.	.	H	α-helix	trans	-63.5	-41.8	177.3	-72.9	-178.1	-77.8	132.8	-3.4	112	L130 E132 E133 F139 A140 L219	L130-R136 HydrophobicContact CB-CG 3.82Å; L130-R136 HydrophobicContact CD1-CG 4.26Å; E132-R136 PolarHBondContact O-N 2.91Å; E133-R136 PolarHBondContact O-N 3.01Å; E133-R136 VanDerWaalsContact O-N 3.11Å; R136-F139 PolarHBondContact O-N 3.47Å; R136-A140 PolarHBondContact O-N 3.18Å; R136-L219 HydrophobicContact CB-CD1 4.17Å; R136-L219 HydrophobicContact CG-CD1 4.27Å
137	Y	93.6	Very high	91.7	Very high	15 Å²	15	21.3 Å²	21.3	6%	0.059	11%	0.11	C	C	.	.	H	α-helix	trans	-62.3	-44.3	174.3	175.7	-116.4	0	0	0	112.8	I25 E133 L134 F139 A140 L141 F364 R366 K367	I25-Y137 HydrophobicContact CD1-CE1 4.05Å; E133-Y137 PolarHBondContact O-N 2.82Å; L134-Y137 HydrophobicContact CD1-CD1 4.5Å; L134-Y137 PolarHBondContact O-N 2.85Å; Y137-F139 VanDerWaalsContact C-N 3.3Å; Y137-F139 PolarHBondContact O-N 2.99Å; Y137-A140 WeakPolarHBondContact O-CB 3.39Å; Y137-A140 PolarHBondContact O-N 3.36Å; Y137-A140 VanDerWaalsContact O-N 3.13Å; Y137-L141 HydrophobicContact CD1-CD1 4.24Å; Y137-L141 HydrophobicContact CE1-CD1 3.74Å; Y137-L141 HydrophobicContact CE1-CG 4.41Å; Y137-L141 HydrophobicContact CE2-CD1 4.37Å; Y137-L141 HydrophobicContact CE2-CD2 4.33Å; Y137-L141 HydrophobicContact CE2-CG 4.19Å; Y137-L141 PolarHBondContact O-N 2.73Å; Y137-F364 HydrophobicContact CD1-CD2 4.18Å; Y137-F364 AromaticContact CD1-CE2 3.46Å; Y137-F364 HydrophobicContact CD1-CE2 3.46Å; Y137-F364 VanDerWaalsContact CD1-CE2 3.46Å; Y137-F364 HydrophobicContact CD1-CZ 4.24Å; Y137-F364 HydrophobicContact CE1-CD2 4.48Å; Y137-F364 HydrophobicContact CE1-CE2 4.04Å; Y137-F364 AromaticContact CG-CE2 3.82Å; Y137-F364 HydrophobicContact CG-CE2 3.82Å; Y137-F364 HydrophobicContact CG-CZ 4.25Å; Y137-R366 HydrophobicContact CD2-CG 4.3Å; Y137-R366 HydrophobicContact CE1-CG 4.36Å; Y137-R366 HydrophobicContact CE2-CG 3.97Å; Y137-K367 PolarHBondContact OH-N 3.42Å
138	L	95.2	Very high	92.4	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-63.8	-35.4	175.2	-69.7	169.1	0	0	0	112	I25 L50 M76 L78 F84 F118 L134 T135 L141 Q142	I25-L138 HydrophobicContact CD1-CD2 3.77Å; L50-L138 HydrophobicContact CB-CD2 4.34Å; L50-L138 HydrophobicContact CD1-CB 4.18Å; L50-L138 HydrophobicContact CD1-CD2 4.21Å; M76-L138 HydrophobicContact SD-CD1 4.21Å; M76-L138 HydrophobicContact SD-CD2 4.36Å; L78-L138 HydrophobicContact CD1-CD1 3.75Å; L78-L138 HydrophobicContact CD2-CD1 3.85Å; L78-L138 HydrophobicContact CG-CD1 4.4Å; F84-L138 HydrophobicContact CE1-CB 3.73Å; F84-L138 HydrophobicContact CE1-CD1 4.3Å; F84-L138 HydrophobicContact CZ-CB 3.72Å; F84-L138 HydrophobicContact CZ-CD1 3.99Å; F118-L138 HydrophobicContact CE1-CD1 4.44Å; L134-L138 HydrophobicContact CD1-CD1 4.15Å; L134-L138 HydrophobicContact CD1-CG 4.16Å; L134-L138 HydrophobicContact CG-CD1 4.03Å; L134-L138 HydrophobicContact CG-CG 4.47Å; L134-L138 WeakPolarHBondContact O-CB 3.23Å; L134-L138 VanDerWaalsContact O-CG 3.29Å; L134-L138 WeakPolarHBondContact O-CG 3.48Å; L134-L138 PolarHBondContact O-N 3.12Å; T135-L138 PolarHBondContact O-N 3.26Å; L138-L141 HydrophobicContact CD2-CD1 4.48Å; L138-Q142 PolarHBondContact O-N 3.22Å
139	F	96.3	Very high	92.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-67.3	-39.3	170.8	-92.2	-108.3	0	0	0	112.3	Y83 F84 V120 F123 L130 T135 R136 Y137 Q142 I143 L219	Y83-F139 HydrophobicContact CD1-CZ 4.29Å; Y83-F139 HydrophobicContact CG-CE2 4.38Å; Y83-F139 HydrophobicContact CG-CZ 4.31Å; F84-F139 HydrophobicContact CE1-CD2 4.2Å; F84-F139 HydrophobicContact CE1-CE2 4.24Å; F84-F139 HydrophobicContact CE2-CE2 4.2Å; F84-F139 AromaticContact CZ-CD2 3.78Å; F84-F139 HydrophobicContact CZ-CD2 3.78Å; F84-F139 AromaticContact CZ-CE2 3.76Å; F84-F139 HydrophobicContact CZ-CE2 3.76Å; V120-F139 HydrophobicContact CB-CZ 4.49Å; V120-F139 HydrophobicContact CG1-CD1 4.25Å; V120-F139 HydrophobicContact CG1-CE1 3.55Å; V120-F139 HydrophobicContact CG1-CE2 4.01Å; V120-F139 HydrophobicContact CG1-CZ 3.43Å; V120-F139 VanDerWaalsContact CG1-CZ 3.43Å; V120-F139 HydrophobicContact CG2-CD1 4.26Å; V120-F139 HydrophobicContact CG2-CD2 3.96Å; V120-F139 HydrophobicContact CG2-CE1 4.3Å; V120-F139 HydrophobicContact CG2-CE2 4.02Å; V120-F139 HydrophobicContact CG2-CG 4.11Å; V120-F139 HydrophobicContact CG2-CZ 4.2Å; F123-F139 HydrophobicContact CD1-CD1 4.34Å; F123-F139 HydrophobicContact CD1-CE1 4.01Å; F123-F139 HydrophobicContact CE1-CE1 4.49Å; L130-F139 HydrophobicContact CD1-CB 4.14Å; L130-F139 HydrophobicContact CD1-CD1 3.86Å; L130-F139 HydrophobicContact CD1-CD2 3.66Å; L130-F139 HydrophobicContact CD1-CE1 4.09Å; L130-F139 HydrophobicContact CD1-CE2 3.89Å; L130-F139 HydrophobicContact CD1-CG 3.62Å; L130-F139 HydrophobicContact CD1-CZ 4.09Å; L130-F139 HydrophobicContact CD2-CE2 3.95Å; L130-F139 HydrophobicContact CD2-CZ 4.01Å; T135-F139 HydrophobicContact CG2-CD2 4.15Å; T135-F139 HydrophobicContact CG2-CE2 4.12Å; T135-F139 VanDerWaalsContact O-CD2 3.3Å; T135-F139 WeakPolarHBondContact O-CD2 3.49Å; T135-F139 PolarHBondContact O-N 2.86Å; R136-F139 PolarHBondContact O-N 3.47Å; Y137-F139 VanDerWaalsContact C-N 3.3Å; Y137-F139 PolarHBondContact O-N 2.99Å; F139-Q142 WeakPolarHBondContact O-CB 3.42Å; F139-Q142 PolarHBondContact O-N 3.31Å; F139-I143 WeakPolarHBondContact O-CG1 3.24Å; F139-I143 PolarHBondContact O-N 3.01Å; F139-L219 HydrophobicContact CB-CD1 4.05Å; F139-L219 HydrophobicContact CB-CD2 3.99Å
140	A	95.6	Very high	93.1	Very high	6 Å²	6	22.7 Å²	22.7	5%	0.05	13%	0.128	C	C	.	.	H	α-helix	trans	-60.1	-46	173.8	0	0	0	0	0	111.7	R136 Y137 Q142 I143 K144 D215 L218	R136-A140 PolarHBondContact O-N 3.18Å; Y137-A140 WeakPolarHBondContact O-CB 3.39Å; Y137-A140 PolarHBondContact O-N 3.36Å; Y137-A140 VanDerWaalsContact O-N 3.13Å; A140-Q142 PolarHBondContact O-N 2.96Å; A140-I143 PolarHBondContact O-N 3.26Å; A140-I143 VanDerWaalsContact O-N 3.15Å; A140-K144 PolarHBondContact O-N 3.2Å; A140-D215 HydrophobicContact CB-CB 4.29Å; A140-L218 HydrophobicContact CB-CD2 3.78Å
141	L	95.4	Very high	92.9	Very high	16 Å²	16	26.8 Å²	26.8	8%	0.084	14%	0.143	C	C	.	.	H	α-helix	trans	-59.6	-41.8	173	-70.2	176.1	0	0	0	112.5	I25 L50 D51 Y137 L138 I143 K144 Q145	I25-L141 HydrophobicContact CD1-CD1 3.86Å; L50-L141 HydrophobicContact CB-CB 4.03Å; L50-L141 HydrophobicContact CB-CD1 4.2Å; D51-L141 HydrophobicContact CB-CD1 4.27Å; Y137-L141 HydrophobicContact CD1-CD1 4.24Å; Y137-L141 HydrophobicContact CE1-CD1 3.74Å; Y137-L141 HydrophobicContact CE1-CG 4.41Å; Y137-L141 HydrophobicContact CE2-CD1 4.37Å; Y137-L141 HydrophobicContact CE2-CD2 4.33Å; Y137-L141 HydrophobicContact CE2-CG 4.19Å; Y137-L141 PolarHBondContact O-N 2.73Å; L138-L141 HydrophobicContact CD2-CD1 4.48Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 2.9Å; L141-K144 PolarHBondContact O-N 3.38Å; L141-Q145 WeakPolarHBondContact O-CG 3.39Å; L141-Q145 PolarHBondContact O-N 2.88Å
142	Q	96.4	Very high	93	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-62	-38	175.4	179.9	67.3	92.2	0	0	112.4	L50 V120 F123 L138 F139 A140 Q145 D146	L50-Q142 HydrophobicContact CD2-CB 4.1Å; V120-Q142 HydrophobicContact CB-CB 4.43Å; V120-Q142 HydrophobicContact CB-CG 3.88Å; V120-Q142 HydrophobicContact CG2-CB 3.65Å; V120-Q142 HydrophobicContact CG2-CG 3.66Å; F123-Q142 HydrophobicContact CE1-CG 4.16Å; F123-Q142 HydrophobicContact CZ-CG 3.85Å; L138-Q142 PolarHBondContact O-N 3.22Å; F139-Q142 WeakPolarHBondContact O-CB 3.42Å; F139-Q142 PolarHBondContact O-N 3.31Å; A140-Q142 PolarHBondContact O-N 2.96Å; Q142-Q145 PolarHBondContact O-N 3.13Å; Q142-D146 PolarHBondContact O-N 3.01Å
143	I	95.8	Very high	92.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-70.1	-41.2	176.8	-71	-62	0	0	0	111.3	F139 A140 L141 Q145 D146 L147 M152 M162 L218 L219 A222 Y228	F139-I143 WeakPolarHBondContact O-CG1 3.24Å; F139-I143 PolarHBondContact O-N 3.01Å; A140-I143 PolarHBondContact O-N 3.26Å; A140-I143 VanDerWaalsContact O-N 3.15Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 2.9Å; I143-Q145 VanDerWaalsContact C-N 3.34Å; I143-Q145 PolarHBondContact O-N 2.78Å; I143-D146 PolarHBondContact O-N 3.37Å; I143-D146 VanDerWaalsContact O-N 3.11Å; I143-L147 HydrophobicContact CG2-CD1 4.4Å; I143-L147 PolarHBondContact O-N 3.09Å; I143-M152 HydrophobicContact CD1-CE 4.42Å; I143-M152 HydrophobicContact CD1-SD 4.1Å; I143-M152 HydrophobicContact CG2-CE 3.94Å; I143-M162 HydrophobicContact CG2-CE 3.4Å; I143-M162 VanDerWaalsContact CG2-CE 3.4Å; I143-L218 HydrophobicContact CG2-CD1 4.23Å; I143-L218 HydrophobicContact CG2-CD2 4.31Å; I143-L218 HydrophobicContact CG2-CG 4.22Å; I143-L219 HydrophobicContact CG1-CD2 4.06Å; I143-A222 HydrophobicContact CD1-CB 4.14Å; I143-A222 HydrophobicContact CG1-CB 4.29Å; I143-A222 HydrophobicContact CG2-CB 4.31Å; I143-Y228 HydrophobicContact CD1-CD2 3.86Å; I143-Y228 HydrophobicContact CD1-CE2 3.81Å; I143-Y228 HydrophobicContact CG1-CE2 4.42Å
144	K	95.2	Very high	92.7	Very high	48 Å²	48	24.5 Å²	24.5	21%	0.209	14%	0.139	C	C	.	.	H	α-helix	trans	-54.7	-47.6	169	177.7	179.2	177.1	173.1	0	111.4	A140 L141 D146 L147 S148 I166 E170 Y188	A140-K144 PolarHBondContact O-N 3.2Å; L141-K144 PolarHBondContact O-N 3.38Å; K144-D146 VanDerWaalsContact C-N 3.3Å; K144-D146 PolarHBondContact O-N 2.95Å; K144-L147 PolarHBondContact O-N 3.37Å; K144-S148 PolarHBondContact O-N 2.79Å; K144-S148 PolarHBondContact O-OG 3.18Å; K144-I166 HydrophobicContact CB-CD1 4.02Å; K144-I166 HydrophobicContact CD-CG2 4.03Å; K144-I166 HydrophobicContact CG-CD1 4.36Å; K144-I166 HydrophobicContact CG-CG2 4.46Å; K144-E170 WeakPolarHBondContact CD-OE1 3.41Å; K144-E170 WeakPolarHBondContact CE-OE1 3.42Å; K144-E170 IonicContact NZ-OE1 3.97Å; K144-E170 PolarHBondContact NZ-OE1 3.22Å; K144-E170 IonicContact NZ-OE2 3.15Å; K144-E170 PolarHBondContact NZ-OE2 3.18Å; K144-Y188 HydrophobicContact CD-CD1 4.24Å; K144-Y188 HydrophobicContact CD-CE1 4.14Å; K144-Y188 VanDerWaalsContact CE-CE1 3.41Å; K144-Y188 HydrophobicContact CG-CD1 4.25Å
145	Q	94.5	Very high	92.7	Very high	18 Å²	18	27.9 Å²	27.9	8%	0.084	16%	0.158	C	C	.	.	H	α-helix	trans	-64.1	-30.3	176.7	-71.8	-167.4	13.9	0	0	113.6	L50 L141 Q142 I143 S149 R151	L50-Q145 PolarHBondContact O-NE2 2.81Å; L141-Q145 WeakPolarHBondContact O-CG 3.39Å; L141-Q145 PolarHBondContact O-N 2.88Å; Q142-Q145 PolarHBondContact O-N 3.13Å; I143-Q145 VanDerWaalsContact C-N 3.34Å; I143-Q145 PolarHBondContact O-N 2.78Å; Q145-S149 WeakPolarHBondContact O-CB 3.42Å; Q145-S149 PolarHBondContact O-N 2.86Å; Q145-S149 PolarHBondContact O-OG 2.98Å; Q145-R151 PolarHBondContact O-NH2 2.82Å
146	D	94.1	Very high	92.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-82.2	-28.6	179.8	-81.2	0.8	0	0	0	112.9	Q142 I143 K144 R151 M152 R231	Q142-D146 PolarHBondContact O-N 3.01Å; I143-D146 PolarHBondContact O-N 3.37Å; I143-D146 VanDerWaalsContact O-N 3.11Å; K144-D146 VanDerWaalsContact C-N 3.3Å; K144-D146 PolarHBondContact O-N 2.95Å; D146-R151 HydrophobicContact CB-CB 4.33Å; D146-R151 PolarHBondContact O-N 3.17Å; D146-R151 IonicContact OD1-CZ 3.89Å; D146-R151 IonicContact OD1-NE 2.73Å; D146-R151 PolarHBondContact OD1-NE 2.96Å; D146-R151 IonicContact OD1-NH2 3.91Å; D146-R151 PolarHBondContact OD1-NH2 3.14Å; D146-M152 HydrophobicContact CB-CB 4.11Å; D146-M152 PolarHBondContact O-N 2.88Å; D146-R231 VanDerWaalsContact CG-NH2 3.27Å; D146-R231 IonicContact OD1-CZ 3.72Å; D146-R231 IonicContact OD1-NH1 3.66Å; D146-R231 IonicContact OD1-NH2 3.66Å; D146-R231 PolarHBondContact OD1-NH2 3.48Å; D146-R231 IonicContact OD2-CZ 3.55Å; D146-R231 IonicContact OD2-NH1 2.71Å; D146-R231 PolarHBondContact OD2-NH1 2.95Å; D146-R231 IonicContact OD2-NH2 2.82Å; D146-R231 PolarHBondContact OD2-NH2 2.63Å
147	L	94	Very high	92.8	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-68	-55.6	167.7	-76.3	170.7	0	0	0	111.3	I143 K144 S149 G150 M152 M162 I166 Y188 I189	I143-L147 HydrophobicContact CG2-CD1 4.4Å; I143-L147 PolarHBondContact O-N 3.09Å; K144-L147 PolarHBondContact O-N 3.37Å; L147-S149 PolarHBondContact O-N 2.91Å; L147-S149 VanDerWaalsContact O-N 3.15Å; L147-G150 PolarHBondContact O-N 2.82Å; L147-M152 HydrophobicContact CD1-CE 4.36Å; L147-M152 HydrophobicContact CD2-CE 3.54Å; L147-M152 HydrophobicContact CG-CE 3.63Å; L147-M162 HydrophobicContact CD1-CB 3.9Å; L147-M162 HydrophobicContact CD1-CE 4.33Å; L147-I166 HydrophobicContact CD1-CD1 3.87Å; L147-Y188 CarbonylContact C-O 3.57Å; L147-Y188 WeakPolarHBondContact CB-O 3.42Å; L147-I189 HydrophobicContact CB-CG2 4.02Å; L147-I189 HydrophobicContact CD2-CG2 4.19Å
148	S	93.4	Very high	92.8	Very high	52 Å²	52	34.1 Å²	34.1	36%	0.364	20%	0.2	S	C	.	.	H	α-helix	trans	-66.3	-23.8	-171.2	66	0	0	0	0	113.9	K144 Y188	K144-S148 PolarHBondContact O-N 2.79Å; K144-S148 PolarHBondContact O-OG 3.18Å; S148-Y188 WeakPolarHBondContact CA-O 3.49Å; S148-Y188 WeakPolarHBondContact CB-O 3.35Å; S148-Y188 PolarHBondContact N-O 2.7Å
149	S	90.5	Very high	92.8	Very high	55 Å²	55	34.5 Å²	34.5	39%	0.385	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	5.9	175.1	63.6	0	0	0	0	114.5	Q145 L147 R151	Q145-S149 WeakPolarHBondContact O-CB 3.42Å; Q145-S149 PolarHBondContact O-N 2.86Å; Q145-S149 PolarHBondContact O-OG 2.98Å; L147-S149 PolarHBondContact O-N 2.91Å; L147-S149 VanDerWaalsContact O-N 3.15Å; S149-R151 PolarHBondContact O-N 2.86Å; S149-R151 PolarHBondContact OG-NE 3.03Å; S149-R151 PolarHBondContact OG-NH1 3.35Å; S149-R151 PolarHBondContact OG-NH2 2.93Å
150	G	89	Confident	92.8	Very high	36 Å²	36	34.5 Å²	34.5	37%	0.371	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	15.3	-179.8	0	0	0	0	0	115	L147	L147-G150 PolarHBondContact O-N 2.82Å
151	R	87.9	Confident	92.9	Very high	89 Å²	89	36.4 Å²	36.4	34%	0.336	21%	0.213	S	C	.	.			trans	-73.4	-28.2	178.8	-73.1	-167.5	-63	-89.3	-3.3	112.9	Q145 D146 S149	Q145-R151 PolarHBondContact O-NH2 2.82Å; D146-R151 HydrophobicContact CB-CB 4.33Å; D146-R151 PolarHBondContact O-N 3.17Å; D146-R151 IonicContact OD1-CZ 3.89Å; D146-R151 IonicContact OD1-NE 2.73Å; D146-R151 PolarHBondContact OD1-NE 2.96Å; D146-R151 IonicContact OD1-NH2 3.91Å; D146-R151 PolarHBondContact OD1-NH2 3.14Å; S149-R151 PolarHBondContact O-N 2.86Å; S149-R151 PolarHBondContact OG-NE 3.03Å; S149-R151 PolarHBondContact OG-NH1 3.35Å; S149-R151 PolarHBondContact OG-NH2 2.93Å
152	M	88.8	Confident	93	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.03	21%	0.209	C	C	.	.	S	Bend	trans	-109.3	91.7	175.5	-173.6	177.3	62.7	0	0	110.3	I143 D146 L147 M162 L225 F227	I143-M152 HydrophobicContact CD1-CE 4.42Å; I143-M152 HydrophobicContact CD1-SD 4.1Å; I143-M152 HydrophobicContact CG2-CE 3.94Å; D146-M152 HydrophobicContact CB-CB 4.11Å; D146-M152 PolarHBondContact O-N 2.88Å; L147-M152 HydrophobicContact CD1-CE 4.36Å; L147-M152 HydrophobicContact CD2-CE 3.54Å; L147-M152 HydrophobicContact CG-CE 3.63Å; M152-M162 HydrophobicContact CE-CE 3.67Å; M152-M162 HydrophobicContact CE-SD 3.99Å; M152-L225 HydrophobicContact CE-CD1 4.14Å; M152-L225 HydrophobicContact CG-CD1 4.38Å; M152-L225 HydrophobicContact SD-CD1 3.98Å; M152-F227 HydrophobicContact CB-CB 4.44Å; M152-F227 HydrophobicContact CG-CB 3.88Å
153	T	84.2	Confident	93	Very high	60 Å²	60	35.6 Å²	35.6	37%	0.368	21%	0.208	S	C	.	.			trans	-72.6	129	177	53.3	0	0	0	0	111.3	F227	T153-F227 WeakPolarHBondContact OG1-CD2 3.38Å; T153-F227 WeakPolarHBondContact OG1-CE2 3.28Å; T153-F227 WeakPolarHBondContact OG1-CG 3.45Å
154	C	87.9	Confident	93.1	Very high	43 Å²	43	35.6 Å²	35.6	29%	0.291	21%	0.208	S	C	.	.			trans	-146.9	174.9	173.9	60.2	0	0	0	0	110.1	L225	C154-L225 HydrophobicContact CB-CD1 3.73Å; C154-L225 HydrophobicContact CB-CD2 3.71Å; C154-L225 HydrophobicContact CB-CG 4.31Å
155	N	91.7	Very high	93.2	Very high	87 Å²	87	33.9 Å²	33.9	47%	0.465	20%	0.201	S	C	.	.			trans	-80	157.6	175	67.9	74.9	0	0	0	111.4	T157 S158 A159	N155-T157 PolarHBondContact O-N 3.03Å; N155-T157 VanDerWaalsContact O-N 3.09Å; N155-T157 WeakPolarHBondContact OD1-CA 3.41Å; N155-T157 WeakPolarHBondContact OD1-CB 3.32Å; N155-T157 PolarHBondContact OD1-N 3.29Å; N155-S158 PolarHBondContact ND2-OG 2.86Å; N155-S158 VanDerWaalsContact ND2-OG 3.15Å; N155-S158 WeakPolarHBondContact O-CA 3.5Å; N155-S158 WeakPolarHBondContact O-CB 3.34Å; N155-S158 PolarHBondContact O-N 3.46Å; N155-S158 PolarHBondContact OD1-N 3.28Å; N155-S158 PolarHBondContact OD1-OG 2.91Å; N155-A159 PolarHBondContact O-N 2.89Å
156	D	93.8	Very high	93.3	Very high	101 Å²	101	33.1 Å²	33.1	54%	0.54	20%	0.198	S	C	.	.	H	α-helix	trans	-48.1	-36.2	-179.8	-61	24.5	0	0	0	114.8	A160 L195	D156-A160 VanDerWaalsContact O-CB 3.23Å; D156-A160 WeakPolarHBondContact O-CB 3.5Å; D156-A160 PolarHBondContact O-N 3.48Å; D156-L195 HydrophobicContact CB-CD1 4.2Å; D156-L195 HydrophobicContact CB-CD2 3.79Å
157	T	94.8	Very high	93.4	Very high	69 Å²	69	33.1 Å²	33.1	42%	0.423	20%	0.198	S	C	.	.	H	α-helix	trans	-73.2	-43.7	179	-51.7	0	0	0	0	111	N155 L161 K198 F202	N155-T157 PolarHBondContact O-N 3.03Å; N155-T157 VanDerWaalsContact O-N 3.09Å; N155-T157 WeakPolarHBondContact OD1-CA 3.41Å; N155-T157 WeakPolarHBondContact OD1-CB 3.32Å; N155-T157 PolarHBondContact OD1-N 3.29Å; T157-L161 WeakPolarHBondContact O-CB 3.39Å; T157-L161 PolarHBondContact O-N 3.1Å; T157-K198 PolarHBondContact OG1-NZ 2.91Å; T157-F202 HydrophobicContact CG2-CE2 4.26Å; T157-F202 HydrophobicContact CG2-CZ 3.94Å
158	S	95.1	Very high	93.5	Very high	25 Å²	25	33 Å²	33	18%	0.175	20%	0.197	C	C	.	.	H	α-helix	trans	-64.6	-43.2	172.8	-59	0	0	0	0	111.5	N155 L161 M162	N155-S158 PolarHBondContact ND2-OG 2.86Å; N155-S158 VanDerWaalsContact ND2-OG 3.15Å; N155-S158 WeakPolarHBondContact O-CA 3.5Å; N155-S158 WeakPolarHBondContact O-CB 3.34Å; N155-S158 PolarHBondContact O-N 3.46Å; N155-S158 PolarHBondContact OD1-N 3.28Å; N155-S158 PolarHBondContact OD1-OG 2.91Å; S158-L161 PolarHBondContact O-N 3.02Å; S158-M162 WeakPolarHBondContact O-CB 3.41Å; S158-M162 VanDerWaalsContact O-CG 3.23Å; S158-M162 WeakPolarHBondContact O-CG 3.39Å; S158-M162 PolarHBondContact O-N 2.85Å
159	A	94.9	Very high	93.5	Very high	9 Å²	9	31 Å²	31	7%	0.074	18%	0.183	C	C	.	.	H	α-helix	trans	-58.7	-51.5	176	0	0	0	0	0	111.2	N155 L161 M162 V163 I189 L195	N155-A159 PolarHBondContact O-N 2.89Å; A159-L161 PolarHBondContact O-N 2.82Å; A159-M162 PolarHBondContact O-N 2.58Å; A159-V163 WeakPolarHBondContact O-CG2 3.48Å; A159-V163 PolarHBondContact O-N 3.03Å; A159-I189 HydrophobicContact CB-CD1 4.2Å; A159-L195 HydrophobicContact CB-CD1 4.42Å
160	A	96.6	Very high	93.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.1	-42.1	179.9	0	0	0	0	0	113	D156 V163 S164 K198 I199 F202	D156-A160 VanDerWaalsContact O-CB 3.23Å; D156-A160 WeakPolarHBondContact O-CB 3.5Å; D156-A160 PolarHBondContact O-N 3.48Å; A160-V163 PolarHBondContact O-N 2.74Å; A160-S164 WeakPolarHBondContact O-CB 3.47Å; A160-S164 PolarHBondContact O-N 3.01Å; A160-S164 PolarHBondContact O-OG 2.91Å; A160-K198 HydrophobicContact CB-CB 4.3Å; A160-K198 HydrophobicContact CB-CD 4.08Å; A160-K198 HydrophobicContact CB-CG 3.93Å; A160-I199 HydrophobicContact CB-CG1 3.81Å; A160-F202 HydrophobicContact CB-CD2 4.05Å; A160-F202 HydrophobicContact CB-CE2 4.08Å
161	L	97.4	Very high	93.7	Very high	46 Å²	46	29.7 Å²	29.7	24%	0.241	16%	0.162	C	C	.	.	H	α-helix	trans	-68.1	-33.5	177.4	-179.3	62	0	0	0	112.9	T157 S158 A159 S164 H165 F202 V221	T157-L161 WeakPolarHBondContact O-CB 3.39Å; T157-L161 PolarHBondContact O-N 3.1Å; S158-L161 PolarHBondContact O-N 3.02Å; A159-L161 PolarHBondContact O-N 2.82Å; L161-S164 WeakPolarHBondContact CA-OG 3.19Å; L161-S164 PolarHBondContact O-OG 3.07Å; L161-H165 PolarHBondContact O-CD2 3.32Å; L161-H165 PolarHBondContact O-N 3.27Å; L161-F202 HydrophobicContact CB-CD2 4.08Å; L161-F202 HydrophobicContact CB-CE2 4.12Å; L161-F202 HydrophobicContact CB-CG 4.46Å; L161-F202 HydrophobicContact CD1-CB 4.22Å; L161-F202 HydrophobicContact CD1-CD1 3.95Å; L161-F202 HydrophobicContact CD1-CD2 4.45Å; L161-F202 HydrophobicContact CD1-CE1 4.42Å; L161-F202 HydrophobicContact CD1-CG 3.98Å; L161-V221 HydrophobicContact CD2-CG1 4.5Å; L161-V221 HydrophobicContact CD2-CG2 3.91Å; L161-V221 HydrophobicContact CG-CG2 4.25Å
162	M	96.9	Very high	93.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-72.5	-40.1	174.9	-69.9	-174.4	77.5	0	0	111.6	I143 L147 M152 S158 A159 H165 I166 L218 V221 A222 L225	I143-M162 HydrophobicContact CG2-CE 3.4Å; I143-M162 VanDerWaalsContact CG2-CE 3.4Å; L147-M162 HydrophobicContact CD1-CB 3.9Å; L147-M162 HydrophobicContact CD1-CE 4.33Å; M152-M162 HydrophobicContact CE-CE 3.67Å; M152-M162 HydrophobicContact CE-SD 3.99Å; S158-M162 WeakPolarHBondContact O-CB 3.41Å; S158-M162 VanDerWaalsContact O-CG 3.23Å; S158-M162 WeakPolarHBondContact O-CG 3.39Å; S158-M162 PolarHBondContact O-N 2.85Å; A159-M162 PolarHBondContact O-N 2.58Å; M162-H165 PolarHBondContact O-N 2.76Å; M162-I166 WeakPolarHBondContact O-CG1 3.31Å; M162-I166 PolarHBondContact O-N 2.8Å; M162-I166 VanDerWaalsContact O-N 3.08Å; M162-L218 HydrophobicContact CB-CD1 3.68Å; M162-L218 HydrophobicContact CE-CD1 3.57Å; M162-L218 HydrophobicContact CE-CG 4.36Å; M162-L218 HydrophobicContact CG-CD1 4Å; M162-L218 WeakPolarHBondContact O-CD1 3.37Å; M162-V221 HydrophobicContact CG-CB 3.99Å; M162-V221 HydrophobicContact CG-CG1 3.48Å; M162-V221 VanDerWaalsContact CG-CG1 3.48Å; M162-V221 HydrophobicContact SD-CG1 3.94Å; M162-A222 HydrophobicContact CE-CB 3.45Å; M162-A222 VanDerWaalsContact CE-CB 3.45Å; M162-L225 HydrophobicContact SD-CD1 3.57Å; M162-L225 VanDerWaalsContact SD-CD1 3.57Å
163	V	97.2	Very high	94.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-67.2	-36.6	175.3	179.9	0	0	0	0	111.3	A159 A160 H165 I166 I167 L183 Y188 I189 I199	A159-V163 WeakPolarHBondContact O-CG2 3.48Å; A159-V163 PolarHBondContact O-N 3.03Å; A160-V163 PolarHBondContact O-N 2.74Å; V163-H165 VanDerWaalsContact C-N 3.31Å; V163-H165 PolarHBondContact O-N 3.36Å; V163-I166 PolarHBondContact O-N 2.8Å; V163-I166 VanDerWaalsContact O-N 3.15Å; V163-I167 HydrophobicContact CG1-CG2 4.35Å; V163-I167 PolarHBondContact O-N 2.97Å; V163-L183 HydrophobicContact CG1-CD2 4.02Å; V163-Y188 HydrophobicContact CG1-CD1 4.43Å; V163-Y188 HydrophobicContact CG1-CD2 3.86Å; V163-Y188 HydrophobicContact CG1-CG 3.76Å; V163-Y188 HydrophobicContact CG2-CG 4.46Å; V163-I189 HydrophobicContact CG2-CD1 4.47Å; V163-I189 HydrophobicContact CG2-CG2 4.16Å; V163-I199 HydrophobicContact CB-CD1 4.09Å; V163-I199 HydrophobicContact CB-CG1 4.16Å; V163-I199 HydrophobicContact CB-CG2 4.29Å; V163-I199 HydrophobicContact CG1-CD1 3.92Å; V163-I199 HydrophobicContact CG1-CG1 4.3Å; V163-I199 HydrophobicContact CG1-CG2 3.93Å
164	S	97.5	Very high	94.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66.1	-30.4	176.1	68.1	0	0	0	0	113.4	A160 L161 Q168 I199 F202 H206	A160-S164 WeakPolarHBondContact O-CB 3.47Å; A160-S164 PolarHBondContact O-N 3.01Å; A160-S164 PolarHBondContact O-OG 2.91Å; L161-S164 WeakPolarHBondContact CA-OG 3.19Å; L161-S164 PolarHBondContact O-OG 3.07Å; S164-Q168 WeakPolarHBondContact O-CB 3.31Å; S164-Q168 PolarHBondContact O-N 3.47Å; S164-Q168 VanDerWaalsContact O-N 3.14Å; S164-I199 WeakPolarHBondContact CB-O 3.31Å; S164-F202 WeakPolarHBondContact OG-CB 3.49Å; S164-H206 PolarHBondContact O-ND1 3.37Å; S164-H206 PolarHBondContact OG-CE1 3.18Å
165	H	97.8	Very high	94.9	Very high	11 Å²	11	31.6 Å²	31.6	5%	0.051	18%	0.177	C	C	.	.	H	α-helix	trans	-71.7	-39.5	168.9	-78.5	-58.3	0	0	0	112.8	L161 M162 V163 Q168 S169 H206 S214 Q217 L218	L161-H165 PolarHBondContact O-CD2 3.32Å; L161-H165 PolarHBondContact O-N 3.27Å; M162-H165 PolarHBondContact O-N 2.76Å; V163-H165 VanDerWaalsContact C-N 3.31Å; V163-H165 PolarHBondContact O-N 3.36Å; H165-Q168 PolarHBondContact O-N 3.32Å; H165-S169 PolarHBondContact O-N 3.49Å; H165-S169 VanDerWaalsContact O-N 3.08Å; H165-H206 AromaticContact CD2-CE1 3.78Å; H165-H206 AromaticContact CE1-CE1 3.16Å; H165-H206 PolarHBondContact CE1-CE1 2.96Å; H165-H206 AromaticContact CE1-ND1 3.73Å; H165-H206 AromaticContact CE1-NE2 3.37Å; H165-H206 PolarHBondContact CE1-NE2 3.42Å; H165-H206 AromaticContact CG-CE1 3.68Å; H165-H206 AromaticContact ND1-CE1 3.31Å; H165-H206 PolarHBondContact ND1-CE1 2.99Å; H165-H206 VanDerWaalsContact ND1-CE1 3.31Å; H165-H206 AromaticContact ND1-ND1 3.55Å; H165-H206 AromaticContact ND1-NE2 3.97Å; H165-H206 AromaticContact NE2-CE1 3.49Å; H165-H206 PolarHBondContact NE2-CE1 2.99Å; H165-H206 AromaticContact NE2-NE2 3.66Å; H165-S214 VanDerWaalsContact C-OG 3.31Å; H165-S214 WeakPolarHBondContact CA-OG 3.27Å; H165-S214 WeakPolarHBondContact CB-OG 3.48Å; H165-S214 PolarHBondContact ND1-OG 3.32Å; H165-S214 PolarHBondContact O-OG 3.18Å; H165-Q217 WeakPolarHBondContact CE1-CB 3.09Å; H165-L218 HydrophobicContact CB-CB 4.06Å; H165-L218 HydrophobicContact CB-CD1 4.42Å
166	I	96.3	Very high	94.8	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.015	18%	0.183	C	C	.	.	H	α-helix	trans	-62.7	-44.4	176.6	-68.3	162.6	0	0	0	110.8	K144 L147 M162 V163 S169 E170 Y188 L218	K144-I166 HydrophobicContact CB-CD1 4.02Å; K144-I166 HydrophobicContact CD-CG2 4.03Å; K144-I166 HydrophobicContact CG-CD1 4.36Å; K144-I166 HydrophobicContact CG-CG2 4.46Å; L147-I166 HydrophobicContact CD1-CD1 3.87Å; M162-I166 WeakPolarHBondContact O-CG1 3.31Å; M162-I166 PolarHBondContact O-N 2.8Å; M162-I166 VanDerWaalsContact O-N 3.08Å; V163-I166 PolarHBondContact O-N 2.8Å; V163-I166 VanDerWaalsContact O-N 3.15Å; I166-S169 PolarHBondContact O-N 2.79Å; I166-S169 PolarHBondContact O-OG 3.13Å; I166-E170 HydrophobicContact CG2-CG 4.39Å; I166-E170 WeakPolarHBondContact CG2-OE1 3.39Å; I166-E170 WeakPolarHBondContact O-CB 3.1Å; I166-E170 WeakPolarHBondContact O-CG 3.44Å; I166-E170 PolarHBondContact O-N 2.87Å; I166-Y188 HydrophobicContact CB-CD1 4.47Å; I166-Y188 HydrophobicContact CG2-CD1 3.69Å; I166-Y188 HydrophobicContact CG2-CE1 3.44Å; I166-Y188 VanDerWaalsContact CG2-CE1 3.44Å; I166-L218 HydrophobicContact CD1-CD1 4.14Å; I166-L218 HydrophobicContact CD1-CD2 4.22Å; I166-L218 HydrophobicContact CG1-CD1 3.95Å; I166-L218 HydrophobicContact CG1-CD2 3.61Å; I166-L218 HydrophobicContact CG1-CG 4.42Å
167	I	95.8	Very high	94.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-72.8	-32.2	178.7	68.7	-172.3	0	0	0	112.4	V163 S169 E170 I171 C179 L183 Y188 I199 H203	V163-I167 HydrophobicContact CG1-CG2 4.35Å; V163-I167 PolarHBondContact O-N 2.97Å; I167-S169 VanDerWaalsContact C-N 3.27Å; I167-S169 PolarHBondContact O-N 2.86Å; I167-E170 PolarHBondContact O-N 3.15Å; I167-E170 VanDerWaalsContact O-N 3.12Å; I167-I171 HydrophobicContact CB-CD1 4.44Å; I167-I171 HydrophobicContact CB-CG1 4.19Å; I167-I171 WeakPolarHBondContact O-CG1 3.23Å; I167-I171 PolarHBondContact O-N 2.98Å; I167-C179 VanDerWaalsContact CD1-SG 3.55Å; I167-L183 HydrophobicContact CD1-CD1 4.19Å; I167-L183 HydrophobicContact CD1-CD2 4.17Å; I167-L183 HydrophobicContact CD1-CG 4.31Å; I167-L183 HydrophobicContact CG2-CD2 4.1Å; I167-Y188 HydrophobicContact CG2-CE1 4.44Å; I167-Y188 HydrophobicContact CG2-CE2 4.01Å; I167-I199 HydrophobicContact CD1-CG2 3.56Å; I167-H203 HydrophobicContact CD1-CB 4.1Å; I167-H203 WeakPolarHBondContact CD1-ND1 3.49Å; I167-H203 HydrophobicContact CG1-CB 4.42Å
168	Q	95.9	Very high	94.5	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.009	19%	0.188	C	C	.	.	H	α-helix	trans	-60.1	-35.8	169.2	-179.6	71.5	27	0	0	111.7	S164 H165 G172 D173 H203 H206 Q209	S164-Q168 WeakPolarHBondContact O-CB 3.31Å; S164-Q168 PolarHBondContact O-N 3.47Å; S164-Q168 VanDerWaalsContact O-N 3.14Å; H165-Q168 PolarHBondContact O-N 3.32Å; Q168-G172 WeakPolarHBondContact O-CA 3.36Å; Q168-G172 PolarHBondContact O-N 2.96Å; Q168-G172 PolarHBondContact OE1-O 2.87Å; Q168-G172 VanDerWaalsContact OE1-O 3.14Å; Q168-D173 PolarHBondContact NE2-OD1 2.7Å; Q168-H203 PolarHBondContact OE1-CD2 3.27Å; Q168-H203 PolarHBondContact OE1-NE2 3.39Å; Q168-H206 HydrophobicContact CB-CB 4.29Å; Q168-H206 HydrophobicContact CG-CB 3.94Å; Q168-H206 PolarHBondContact NE2-O 3.37Å; Q168-Q209 HydrophobicContact CG-CB 4.2Å; Q168-Q209 PolarHBondContact NE2-O 2.83Å
169	S	94.1	Very high	94.4	Very high	10 Å²	10	33 Å²	33	7%	0.07	18%	0.18	C	C	.	.	H	α-helix	trans	-80.8	-19.2	173.5	72.8	0	0	0	0	114.4	H165 I166 I167 D215 H368	H165-S169 PolarHBondContact O-N 3.49Å; H165-S169 VanDerWaalsContact O-N 3.08Å; I166-S169 PolarHBondContact O-N 2.79Å; I166-S169 PolarHBondContact O-OG 3.13Å; I167-S169 VanDerWaalsContact C-N 3.27Å; I167-S169 PolarHBondContact O-N 2.86Å; S169-D215 PolarHBondContact OG-OD1 3.04Å; S169-H368 PolarHBondContact O-CE1 3.32Å; S169-H368 PolarHBondContact O-ND1 3.14Å
170	E	91.3	Very high	94.4	Very high	24 Å²	24	37 Å²	37	11%	0.112	19%	0.193	C	C	.	.	H	α-helix	trans	-95.3	-35.1	-179.2	-75.5	178.9	-171.5	0	0	115.3	K144 I166 I167 H182 Y188 H368	K144-E170 WeakPolarHBondContact CD-OE1 3.41Å; K144-E170 WeakPolarHBondContact CE-OE1 3.42Å; K144-E170 IonicContact NZ-OE1 3.97Å; K144-E170 PolarHBondContact NZ-OE1 3.22Å; K144-E170 IonicContact NZ-OE2 3.15Å; K144-E170 PolarHBondContact NZ-OE2 3.18Å; I166-E170 HydrophobicContact CG2-CG 4.39Å; I166-E170 WeakPolarHBondContact CG2-OE1 3.39Å; I166-E170 WeakPolarHBondContact O-CB 3.1Å; I166-E170 WeakPolarHBondContact O-CG 3.44Å; I166-E170 PolarHBondContact O-N 2.87Å; I167-E170 PolarHBondContact O-N 3.15Å; I167-E170 VanDerWaalsContact O-N 3.12Å; E170-H182 IonicContact OE2-NE2 3.07Å; E170-Y188 VanDerWaalsContact OE2-CE1 3.32Å; E170-Y188 WeakPolarHBondContact OE2-CE1 3.26Å; E170-Y188 PolarHBondContact OE2-OH 2.83Å; E170-H368 PolarHBondContact O-ND1 2.91Å
171	I	92.6	Very high	94.2	Very high	38 Å²	38	39.9 Å²	39.9	20%	0.195	21%	0.213	C	C	.	.	H	α-helix	trans	-123.5	-6.1	-178.5	56.4	162.4	0	0	0	114.4	I167 C179 H182	I167-I171 HydrophobicContact CB-CD1 4.44Å; I167-I171 HydrophobicContact CB-CG1 4.19Å; I167-I171 WeakPolarHBondContact O-CG1 3.23Å; I167-I171 PolarHBondContact O-N 2.98Å; I171-C179 HydrophobicContact CD1-CB 4.34Å; I171-H182 HydrophobicContact CD1-CB 4.13Å
172	G	91.4	Very high	94	Very high	25 Å²	25	38.2 Å²	38.2	26%	0.258	20%	0.204	S	C	.	.			trans	83.4	-152.3	-179.2	0	0	0	0	0	113	Q168 H203	Q168-G172 WeakPolarHBondContact O-CA 3.36Å; Q168-G172 PolarHBondContact O-N 2.96Å; Q168-G172 PolarHBondContact OE1-O 2.87Å; Q168-G172 VanDerWaalsContact OE1-O 3.14Å; G172-H203 PolarHBondContact O-CE1 2.89Å; G172-H203 PolarHBondContact O-NE2 3.21Å
173	D	93.5	Very high	93.9	Very high	81 Å²	81	38.2 Å²	38.2	43%	0.433	20%	0.204	S	C	.	.	S	Bend	trans	-61.3	154.3	-175.5	-71.2	-25.1	0	0	0	113.6	Q168 D175 I207 G208	Q168-D173 PolarHBondContact NE2-OD1 2.7Å; D173-D175 PolarHBondContact O-N 3.33Å; D173-I207 WeakPolarHBondContact OD1-CA 3.42Å; D173-G208 PolarHBondContact OD1-N 3.37Å; D173-G208 PolarHBondContact OD2-N 3.07Å
174	F	94.8	Very high	93.7	Very high	52 Å²	52	43 Å²	43	23%	0.228	23%	0.229	C	C	.	.			trans	-68.1	109.8	-175.1	178.1	-100.7	0	0	0	113.4	E176 C179 M200 H203 I207	F174-E176 HydrophobicContact CE1-CB 4.16Å; F174-E176 HydrophobicContact CZ-CB 3.91Å; F174-E176 HydrophobicContact CZ-CG 4.08Å; F174-C179 HydrophobicContact CD2-CB 3.98Å; F174-C179 HydrophobicContact CE2-CB 3.96Å; F174-M200 HydrophobicContact CE2-CB 3.83Å; F174-M200 HydrophobicContact CE2-CE 4.13Å; F174-M200 HydrophobicContact CE2-CG 4.16Å; F174-M200 HydrophobicContact CZ-CB 4.32Å; F174-M200 HydrophobicContact CZ-CE 4.15Å; F174-H203 HydrophobicContact CD2-CB 3.89Å; F174-H203 AromaticContact CD2-CG 3.81Å; F174-H203 AromaticContact CD2-ND1 3.61Å; F174-I207 HydrophobicContact CB-CG1 4.37Å
175	D	93.9	Very high	93.4	Very high	80 Å²	80	48.2 Å²	48.2	43%	0.428	26%	0.257	S	S	.	.			trans	-104.4	134.7	149.2	170.2	61.7	0	0	0	109.4	D173 S177 H178 C179	D173-D175 PolarHBondContact O-N 3.33Å; D175-S177 PolarHBondContact O-N 2.93Å; D175-S177 WeakPolarHBondContact OD2-CA 3.44Å; D175-S177 WeakPolarHBondContact OD2-CB 3.43Å; D175-S177 PolarHBondContact OD2-N 2.88Å; D175-S177 VanDerWaalsContact OD2-N 3.11Å; D175-S177 PolarHBondContact OD2-OG 2.83Å; D175-H178 HydrophobicContact CB-CB 4.07Å; D175-H178 WeakPolarHBondContact OD2-CB 3.36Å; D175-H178 PolarHBondContact OD2-N 2.85Å; D175-C179 WeakPolarHBondContact O-CB 3.32Å; D175-C179 PolarHBondContact O-N 2.82Å
176	E	90.1	Very high	93.1	Very high	125 Å²	125	49.3 Å²	49.3	58%	0.584	26%	0.263	S	S	*	.	H	α-helix	trans	-62.9	-42.6	-175.8	-166.8	-173.8	159.7	0	0	111.9	F174 R180 M200	F174-E176 HydrophobicContact CE1-CB 4.16Å; F174-E176 HydrophobicContact CZ-CB 3.91Å; F174-E176 HydrophobicContact CZ-CG 4.08Å; E176-R180 VanDerWaalsContact O-CB 3.29Å; E176-R180 WeakPolarHBondContact O-CB 3.17Å; E176-R180 PolarHBondContact O-N 2.63Å; E176-M200 HydrophobicContact CB-CE 4.35Å; E176-M200 HydrophobicContact CG-CE 3.38Å; E176-M200 WeakPolarHBondContact O-CE 3.41Å
177	S	90.8	Very high	92.9	Very high	89 Å²	89	54.9 Å²	54.9	62%	0.622	29%	0.293	S	S	*	.	H	α-helix	trans	-71.5	-42.5	-176	82.8	0	0	0	0	111.9	D175 S181	D175-S177 PolarHBondContact O-N 2.93Å; D175-S177 WeakPolarHBondContact OD2-CA 3.44Å; D175-S177 WeakPolarHBondContact OD2-CB 3.43Å; D175-S177 PolarHBondContact OD2-N 2.88Å; D175-S177 VanDerWaalsContact OD2-N 3.11Å; D175-S177 PolarHBondContact OD2-OG 2.83Å; S177-S181 VanDerWaalsContact O-CB 3.26Å; S177-S181 WeakPolarHBondContact O-CB 3.25Å; S177-S181 PolarHBondContact O-N 2.93Å; S177-S181 VanDerWaalsContact O-N 3.07Å
178	H	91.8	Very high	92.8	Very high	97 Å²	97	55 Å²	55	45%	0.449	29%	0.293	S	S	.	.	H	α-helix	trans	-70.6	-45.8	179.3	-167	59.9	0	0	0	110.9	D175 S181 H182	D175-H178 HydrophobicContact CB-CB 4.07Å; D175-H178 WeakPolarHBondContact OD2-CB 3.36Å; D175-H178 PolarHBondContact OD2-N 2.85Å; H178-S181 PolarHBondContact O-N 2.69Å; H178-H182 WeakPolarHBondContact O-CB 3.25Å; H178-H182 PolarHBondContact O-N 2.97Å
179	C	92.6	Very high	92.7	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60.2	-49	176.9	-176.9	0	0	0	0	111.7	I167 I171 F174 D175 S181 H182 L183 H203	I167-C179 VanDerWaalsContact CD1-SG 3.55Å; I171-C179 HydrophobicContact CD1-CB 4.34Å; F174-C179 HydrophobicContact CD2-CB 3.98Å; F174-C179 HydrophobicContact CE2-CB 3.96Å; D175-C179 WeakPolarHBondContact O-CB 3.32Å; D175-C179 PolarHBondContact O-N 2.82Å; C179-S181 PolarHBondContact O-N 3.36Å; C179-H182 PolarHBondContact O-N 3.21Å; C179-L183 WeakPolarHBondContact O-CB 3.49Å; C179-L183 WeakPolarHBondContact O-CG 3.41Å; C179-L183 PolarHBondContact O-N 3.36Å; C179-H203 PolarHBondContact SG-ND1 2.96Å
180	R	93.4	Very high	92.5	Very high	94 Å²	94	59 Å²	59	36%	0.355	32%	0.319	S	S	.	.	H	α-helix	trans	-62.6	-43	178.6	-160.7	176.2	-160.6	81.5	1.4	111.9	E176 L183 L184 I196 D197 M200	E176-R180 VanDerWaalsContact O-CB 3.29Å; E176-R180 WeakPolarHBondContact O-CB 3.17Å; E176-R180 PolarHBondContact O-N 2.63Å; R180-L183 PolarHBondContact O-N 2.91Å; R180-L184 HydrophobicContact CG-CD1 4.42Å; R180-L184 VanDerWaalsContact O-CG 3.29Å; R180-L184 WeakPolarHBondContact O-CG 3.2Å; R180-L184 PolarHBondContact O-N 3.03Å; R180-L184 VanDerWaalsContact O-N 3.08Å; R180-I196 HydrophobicContact CG-CG2 4.4Å; R180-D197 IonicContact CZ-OD1 2.68Å; R180-D197 IonicContact NH1-OD1 2.68Å; R180-D197 PolarHBondContact NH1-OD1 3.44Å; R180-D197 IonicContact NH2-OD1 2.71Å; R180-D197 PolarHBondContact NH2-OD1 3.26Å; R180-D197 IonicContact NH2-OD2 2.67Å; R180-M200 HydrophobicContact CB-CE 3.9Å; R180-M200 HydrophobicContact CB-SD 3.88Å; R180-M200 HydrophobicContact CG-CE 4.43Å; R180-M200 HydrophobicContact CG-SD 4Å; R180-M200 PolarHBondContact NH1-SD 3.12Å
181	S	93.2	Very high	92.3	Very high	60 Å²	60	64.1 Å²	64.1	42%	0.42	35%	0.347	S	S	.	.	H	α-helix	trans	-62.1	-43.5	175.1	-174.9	0	0	0	0	112	S177 H178 C179 L184 N185	S177-S181 VanDerWaalsContact O-CB 3.26Å; S177-S181 WeakPolarHBondContact O-CB 3.25Å; S177-S181 PolarHBondContact O-N 2.93Å; S177-S181 VanDerWaalsContact O-N 3.07Å; H178-S181 PolarHBondContact O-N 2.69Å; C179-S181 PolarHBondContact O-N 3.36Å; S181-L184 PolarHBondContact O-N 2.9Å; S181-N185 PolarHBondContact O-N 3.46Å; S181-N185 PolarHBondContact O-ND2 2.94Å
182	H	93.6	Very high	92.3	Very high	12 Å²	12	62.5 Å²	62.5	6%	0.056	34%	0.338	C	S	.	.	H	α-helix	trans	-63.8	-42.5	179.2	-176.7	62.7	0	0	0	112.4	E170 I171 H178 C179 L184 N185 N186 Y188 S369	E170-H182 IonicContact OE2-NE2 3.07Å; I171-H182 HydrophobicContact CD1-CB 4.13Å; H178-H182 WeakPolarHBondContact O-CB 3.25Å; H178-H182 PolarHBondContact O-N 2.97Å; C179-H182 PolarHBondContact O-N 3.21Å; H182-L184 PolarHBondContact O-N 3.07Å; H182-N185 PolarHBondContact O-N 3.44Å; H182-N186 PolarHBondContact CE1-ND2 2.71Å; H182-N186 PolarHBondContact ND1-ND2 2.78Å; H182-N186 PolarHBondContact O-N 3.42Å; H182-N186 VanDerWaalsContact O-N 3.12Å; H182-N186 PolarHBondContact O-ND2 2.81Å; H182-Y188 PolarHBondContact NE2-OH 2.85Å; H182-S369 PolarHBondContact NE2-OG 3.02Å
183	L	94.4	Very high	92.4	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-70.6	-23.4	176.1	-70.8	172	0	0	0	114.3	V163 I167 C179 R180 Y188 Q192 I196 I199 M200	V163-L183 HydrophobicContact CG1-CD2 4.02Å; I167-L183 HydrophobicContact CD1-CD1 4.19Å; I167-L183 HydrophobicContact CD1-CD2 4.17Å; I167-L183 HydrophobicContact CD1-CG 4.31Å; I167-L183 HydrophobicContact CG2-CD2 4.1Å; C179-L183 WeakPolarHBondContact O-CB 3.49Å; C179-L183 WeakPolarHBondContact O-CG 3.41Å; C179-L183 PolarHBondContact O-N 3.36Å; R180-L183 PolarHBondContact O-N 2.91Å; L183-Y188 HydrophobicContact CD2-CD2 4.2Å; L183-Y188 HydrophobicContact CD2-CE2 4.23Å; L183-Q192 PolarHBondContact O-NE2 2.89Å; L183-I196 HydrophobicContact CB-CG1 4.45Å; L183-I196 HydrophobicContact CD1-CG2 4.22Å; L183-I199 HydrophobicContact CD1-CB 4.1Å; L183-I199 HydrophobicContact CD1-CG2 3.71Å; L183-I199 HydrophobicContact CD2-CD1 4.4Å; L183-I199 HydrophobicContact CD2-CG2 4Å; L183-M200 HydrophobicContact CD1-CG 3.97Å
184	L	92.8	Very high	92.4	Very high	101 Å²	101	67.8 Å²	67.8	53%	0.529	37%	0.365	S	S	.	.	H	α-helix	trans	-80.4	-22.6	171.7	-71	170.9	0	0	0	112.7	R180 S181 H182 M193 I196	R180-L184 HydrophobicContact CG-CD1 4.42Å; R180-L184 VanDerWaalsContact O-CG 3.29Å; R180-L184 WeakPolarHBondContact O-CG 3.2Å; R180-L184 PolarHBondContact O-N 3.03Å; R180-L184 VanDerWaalsContact O-N 3.08Å; S181-L184 PolarHBondContact O-N 2.9Å; H182-L184 PolarHBondContact O-N 3.07Å; L184-M193 HydrophobicContact CD2-CE 4.29Å; L184-M193 HydrophobicContact CD2-SD 4.38Å; L184-I196 HydrophobicContact CD2-CD1 3.84Å; L184-I196 HydrophobicContact CG-CD1 4.48Å
185	N	92.1	Very high	92.4	Very high	108 Å²	108	66 Å²	66	58%	0.578	36%	0.357	S	S	*	.	H	α-helix	trans	-97.5	-12.9	-178.4	-75.9	-73.1	0	0	0	114.4	S181 H182	S181-N185 PolarHBondContact O-N 3.46Å; S181-N185 PolarHBondContact O-ND2 2.94Å; H182-N185 PolarHBondContact O-N 3.44Å
186	N	91.6	Very high	92.5	Very high	35 Å²	35	62.6 Å²	62.6	19%	0.187	34%	0.339	C	S	.	.			trans	-133.5	131.4	-174.4	-64.1	-86.1	0	0	0	111.7	H182 Y188 Q192	H182-N186 PolarHBondContact CE1-ND2 2.71Å; H182-N186 PolarHBondContact ND1-ND2 2.78Å; H182-N186 PolarHBondContact O-N 3.42Å; H182-N186 VanDerWaalsContact O-N 3.12Å; H182-N186 PolarHBondContact O-ND2 2.81Å; N186-Y188 HydrophobicContact CB-CD2 4.32Å; N186-Y188 HydrophobicContact CB-CE2 3.47Å; N186-Y188 VanDerWaalsContact CB-CE2 3.47Å; N186-Q192 PolarHBondContact O-NE2 3.05Å
187	N	90.9	Very high	92.8	Very high	120 Å²	120	61.3 Å²	61.3	64%	0.642	34%	0.336	S	S	*	.			trans	-99.8	110	179.4	-65.2	-47.6	0	0	0	111.4
188	Y	93.3	Very high	93.1	Very high	1 Å²	1	59.7 Å²	59.7	0%	0.004	32%	0.318	C	S	.	.	S	Bend	trans	-98.1	-21.4	178.4	-61.5	-88.9	0	0	0	113.4	K144 L147 S148 V163 I166 I167 E170 H182 L183 N186	K144-Y188 HydrophobicContact CD-CD1 4.24Å; K144-Y188 HydrophobicContact CD-CE1 4.14Å; K144-Y188 VanDerWaalsContact CE-CE1 3.41Å; K144-Y188 HydrophobicContact CG-CD1 4.25Å; L147-Y188 CarbonylContact C-O 3.57Å; L147-Y188 WeakPolarHBondContact CB-O 3.42Å; S148-Y188 WeakPolarHBondContact CA-O 3.49Å; S148-Y188 WeakPolarHBondContact CB-O 3.35Å; S148-Y188 PolarHBondContact N-O 2.7Å; V163-Y188 HydrophobicContact CG1-CD1 4.43Å; V163-Y188 HydrophobicContact CG1-CD2 3.86Å; V163-Y188 HydrophobicContact CG1-CG 3.76Å; V163-Y188 HydrophobicContact CG2-CG 4.46Å; I166-Y188 HydrophobicContact CB-CD1 4.47Å; I166-Y188 HydrophobicContact CG2-CD1 3.69Å; I166-Y188 HydrophobicContact CG2-CE1 3.44Å; I166-Y188 VanDerWaalsContact CG2-CE1 3.44Å; I167-Y188 HydrophobicContact CG2-CE1 4.44Å; I167-Y188 HydrophobicContact CG2-CE2 4.01Å; E170-Y188 VanDerWaalsContact OE2-CE1 3.32Å; E170-Y188 WeakPolarHBondContact OE2-CE1 3.26Å; E170-Y188 PolarHBondContact OE2-OH 2.83Å; H182-Y188 PolarHBondContact NE2-OH 2.85Å; L183-Y188 HydrophobicContact CD2-CD2 4.2Å; L183-Y188 HydrophobicContact CD2-CE2 4.23Å; N186-Y188 HydrophobicContact CB-CD2 4.32Å; N186-Y188 HydrophobicContact CB-CE2 3.47Å; N186-Y188 VanDerWaalsContact CB-CE2 3.47Å
189	I	94.3	Very high	93.3	Very high	13 Å²	13	55.1 Å²	55.1	7%	0.067	30%	0.296	C	S	.	.	S	Bend	trans	-145.3	155.3	177.2	50.6	-179.3	0	0	0	109.6	L147 A159 V163 Q192 L195	L147-I189 HydrophobicContact CB-CG2 4.02Å; L147-I189 HydrophobicContact CD2-CG2 4.19Å; A159-I189 HydrophobicContact CB-CD1 4.2Å; V163-I189 HydrophobicContact CG2-CD1 4.47Å; V163-I189 HydrophobicContact CG2-CG2 4.16Å; I189-Q192 HydrophobicContact CD1-CB 4.49Å; I189-Q192 HydrophobicContact CG1-CB 3.79Å; I189-Q192 HydrophobicContact CG1-CG 4.05Å; I189-L195 HydrophobicContact CD1-CD1 3.71Å
190	P	90.1	Very high	93.5	Very high	84 Å²	84	55.6 Å²	55.6	55%	0.545	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-48	-177.4	-26.4	35.9	0	0	0	113.8	Q192	P190-Q192 PolarHBondContact O-N 2.72Å
191	D	86.9	Confident	93.7	Very high	132 Å²	132	56 Å²	56	71%	0.706	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	58.3	-175.8	-59.7	-67	0	0	0	111	P194	D191-P194 WeakPolarHBondContact O-CD 3.4Å
192	Q	92.6	Very high	93.9	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.019	29%	0.292	C	S	.	.			trans	-74.3	-34.1	-170.7	-170.4	164.8	-70.2	0	0	114.8	L183 N186 I189 P190 L195 I196 I199	L183-Q192 PolarHBondContact O-NE2 2.89Å; N186-Q192 PolarHBondContact O-NE2 3.05Å; I189-Q192 HydrophobicContact CD1-CB 4.49Å; I189-Q192 HydrophobicContact CG1-CB 3.79Å; I189-Q192 HydrophobicContact CG1-CG 4.05Å; P190-Q192 PolarHBondContact O-N 2.72Å; Q192-L195 PolarHBondContact O-N 3.22Å; Q192-I196 PolarHBondContact O-N 2.87Å; Q192-I199 HydrophobicContact CG-CD1 4.36Å
193	M	93.1	Very high	94.1	Very high	109 Å²	109	54.3 Å²	54.3	54%	0.537	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-53.6	-45.4	-170.7	-66.4	-67.9	109	0	0	114.3	L184 L195 I196	L184-M193 HydrophobicContact CD2-CE 4.29Å; L184-M193 HydrophobicContact CD2-SD 4.38Å; M193-L195 PolarHBondContact O-N 3.42Å; M193-L195 VanDerWaalsContact O-N 3.17Å; M193-I196 HydrophobicContact CE-CD1 3.79Å; M193-I196 HydrophobicContact SD-CD1 4.11Å
194	P	94.3	Very high	94.2	Very high	108 Å²	108	56.4 Å²	56.4	70%	0.701	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-69.7	-10.1	179.9	-17.7	33.4	0	0	0	114.4	D191	D191-P194 WeakPolarHBondContact O-CD 3.4Å
195	L	95.1	Very high	94.4	Very high	14 Å²	14	57 Å²	57	7%	0.073	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-109.8	-4.2	-172.3	-58.5	-178.6	0	0	0	113.5	D156 A159 I189 Q192 M193 D197 K198 I199	D156-L195 HydrophobicContact CB-CD1 4.2Å; D156-L195 HydrophobicContact CB-CD2 3.79Å; A159-L195 HydrophobicContact CB-CD1 4.42Å; I189-L195 HydrophobicContact CD1-CD1 3.71Å; Q192-L195 PolarHBondContact O-N 3.22Å; M193-L195 PolarHBondContact O-N 3.42Å; M193-L195 VanDerWaalsContact O-N 3.17Å; L195-D197 PolarHBondContact O-N 3.35Å; L195-K198 HydrophobicContact CD2-CD 4.38Å; L195-K198 PolarHBondContact O-N 2.85Å; L195-K198 VanDerWaalsContact O-N 3.15Å; L195-I199 HydrophobicContact CB-CD1 4.16Å; L195-I199 WeakPolarHBondContact O-CD1 3.36Å; L195-I199 VanDerWaalsContact O-CG1 3.24Å; L195-I199 WeakPolarHBondContact O-CG1 3.24Å; L195-I199 PolarHBondContact O-N 3.3Å
196	I	95.9	Very high	94.5	Very high	8 Å²	8	52.4 Å²	52.4	4%	0.041	28%	0.278	C	S	.	.	H	α-helix	trans	-52.7	-54	-178.2	-70.7	179.3	0	0	0	111.8	R180 L183 L184 Q192 M193 K198 I199 M200	R180-I196 HydrophobicContact CG-CG2 4.4Å; L183-I196 HydrophobicContact CB-CG1 4.45Å; L183-I196 HydrophobicContact CD1-CG2 4.22Å; L184-I196 HydrophobicContact CD2-CD1 3.84Å; L184-I196 HydrophobicContact CG-CD1 4.48Å; Q192-I196 PolarHBondContact O-N 2.87Å; M193-I196 HydrophobicContact CE-CD1 3.79Å; M193-I196 HydrophobicContact SD-CD1 4.11Å; I196-K198 PolarHBondContact O-N 3.44Å; I196-I199 WeakPolarHBondContact O-CB 3.42Å; I196-I199 PolarHBondContact O-N 2.7Å; I196-I199 VanDerWaalsContact O-N 3.15Å; I196-M200 HydrophobicContact CG2-SD 3.81Å; I196-M200 WeakPolarHBondContact O-CG 3.18Å; I196-M200 PolarHBondContact O-N 2.89Å
197	D	95.4	Very high	94.6	Very high	98 Å²	98	55.9 Å²	55.9	52%	0.524	30%	0.295	S	S	.	.	H	α-helix	trans	-64.2	-31.2	-176	-55.3	-44.9	0	0	0	112	R180 L195 E201	R180-D197 IonicContact CZ-OD1 2.68Å; R180-D197 IonicContact NH1-OD1 2.68Å; R180-D197 PolarHBondContact NH1-OD1 3.44Å; R180-D197 IonicContact NH2-OD1 2.71Å; R180-D197 PolarHBondContact NH2-OD1 3.26Å; R180-D197 IonicContact NH2-OD2 2.67Å; L195-D197 PolarHBondContact O-N 3.35Å; D197-E201 WeakPolarHBondContact O-CB 3.43Å; D197-E201 PolarHBondContact O-N 3.32Å
198	K	96.9	Very high	94.6	Very high	56 Å²	56	53 Å²	53	24%	0.243	30%	0.295	C	S	.	.	H	α-helix	trans	-77	-33.2	176.7	-168.8	178.6	-176.8	-178.5	0	113	T157 A160 L195 I196 E201 F202	T157-K198 PolarHBondContact OG1-NZ 2.91Å; A160-K198 HydrophobicContact CB-CB 4.3Å; A160-K198 HydrophobicContact CB-CD 4.08Å; A160-K198 HydrophobicContact CB-CG 3.93Å; L195-K198 HydrophobicContact CD2-CD 4.38Å; L195-K198 PolarHBondContact O-N 2.85Å; L195-K198 VanDerWaalsContact O-N 3.15Å; I196-K198 PolarHBondContact O-N 3.44Å; K198-E201 PolarHBondContact O-N 2.84Å; K198-F202 HydrophobicContact CG-CD2 4.47Å; K198-F202 HydrophobicContact CG-CE2 4.09Å; K198-F202 WeakPolarHBondContact O-CD2 3.47Å; K198-F202 PolarHBondContact O-N 2.91Å
199	I	97.6	Very high	94.6	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-65.1	-44.7	170.4	-67.7	159.2	0	0	0	109.2	A160 V163 S164 I167 L183 Q192 L195 I196 F202 H203	A160-I199 HydrophobicContact CB-CG1 3.81Å; V163-I199 HydrophobicContact CB-CD1 4.09Å; V163-I199 HydrophobicContact CB-CG1 4.16Å; V163-I199 HydrophobicContact CB-CG2 4.29Å; V163-I199 HydrophobicContact CG1-CD1 3.92Å; V163-I199 HydrophobicContact CG1-CG1 4.3Å; V163-I199 HydrophobicContact CG1-CG2 3.93Å; S164-I199 WeakPolarHBondContact CB-O 3.31Å; I167-I199 HydrophobicContact CD1-CG2 3.56Å; L183-I199 HydrophobicContact CD1-CB 4.1Å; L183-I199 HydrophobicContact CD1-CG2 3.71Å; L183-I199 HydrophobicContact CD2-CD1 4.4Å; L183-I199 HydrophobicContact CD2-CG2 4Å; Q192-I199 HydrophobicContact CG-CD1 4.36Å; L195-I199 HydrophobicContact CB-CD1 4.16Å; L195-I199 WeakPolarHBondContact O-CD1 3.36Å; L195-I199 VanDerWaalsContact O-CG1 3.24Å; L195-I199 WeakPolarHBondContact O-CG1 3.24Å; L195-I199 PolarHBondContact O-N 3.3Å; I196-I199 WeakPolarHBondContact O-CB 3.42Å; I196-I199 PolarHBondContact O-N 2.7Å; I196-I199 VanDerWaalsContact O-N 3.15Å; I199-F202 PolarHBondContact O-N 3.18Å; I199-H203 WeakPolarHBondContact O-CB 3.2Å; I199-H203 PolarHBondContact O-N 2.87Å
200	M	97	Very high	94.6	Very high	11 Å²	11	57 Å²	57	5%	0.054	32%	0.318	C	S	.	.	H	α-helix	trans	-61.7	-42.2	175	-68.2	174.4	66.9	0	0	111.8	F174 E176 R180 L183 I196 F202 H203 S204	F174-M200 HydrophobicContact CE2-CB 3.83Å; F174-M200 HydrophobicContact CE2-CE 4.13Å; F174-M200 HydrophobicContact CE2-CG 4.16Å; F174-M200 HydrophobicContact CZ-CB 4.32Å; F174-M200 HydrophobicContact CZ-CE 4.15Å; E176-M200 HydrophobicContact CB-CE 4.35Å; E176-M200 HydrophobicContact CG-CE 3.38Å; E176-M200 WeakPolarHBondContact O-CE 3.41Å; R180-M200 HydrophobicContact CB-CE 3.9Å; R180-M200 HydrophobicContact CB-SD 3.88Å; R180-M200 HydrophobicContact CG-CE 4.43Å; R180-M200 HydrophobicContact CG-SD 4Å; R180-M200 PolarHBondContact NH1-SD 3.12Å; L183-M200 HydrophobicContact CD1-CG 3.97Å; I196-M200 HydrophobicContact CG2-SD 3.81Å; I196-M200 WeakPolarHBondContact O-CG 3.18Å; I196-M200 PolarHBondContact O-N 2.89Å; M200-F202 VanDerWaalsContact C-N 3.26Å; M200-F202 PolarHBondContact O-N 2.92Å; M200-H203 PolarHBondContact O-N 2.97Å; M200-S204 PolarHBondContact O-N 3.24Å; M200-S204 PolarHBondContact O-OG 2.91Å
201	E	96.6	Very high	94.7	Very high	102 Å²	102	55 Å²	55	48%	0.477	31%	0.305	S	S	.	.	H	α-helix	trans	-61.5	-28.8	175.3	-161.8	-139.2	136.7	0	0	113.6	D197 K198 S204 K205	D197-E201 WeakPolarHBondContact O-CB 3.43Å; D197-E201 PolarHBondContact O-N 3.32Å; K198-E201 PolarHBondContact O-N 2.84Å; E201-S204 PolarHBondContact O-OG 2.68Å; E201-K205 WeakPolarHBondContact O-CD 3.49Å; E201-K205 WeakPolarHBondContact O-CE 3.41Å; E201-K205 PolarHBondContact O-NZ 3.16Å; E201-K205 VanDerWaalsContact O-NZ 3.13Å; E201-K205 IonicContact OE1-NZ 3.27Å; E201-K205 PolarHBondContact OE1-NZ 2.86Å
202	F	97.8	Very high	94.8	Very high	36 Å²	36	49.7 Å²	49.7	16%	0.158	28%	0.279	C	S	.	.	H	α-helix	trans	-85.1	-37.9	171.5	-71.4	-56.3	0	0	0	112.4	T157 A160 L161 S164 K198 I199 M200 S204 K205 H206	T157-F202 HydrophobicContact CG2-CE2 4.26Å; T157-F202 HydrophobicContact CG2-CZ 3.94Å; A160-F202 HydrophobicContact CB-CD2 4.05Å; A160-F202 HydrophobicContact CB-CE2 4.08Å; L161-F202 HydrophobicContact CB-CD2 4.08Å; L161-F202 HydrophobicContact CB-CE2 4.12Å; L161-F202 HydrophobicContact CB-CG 4.46Å; L161-F202 HydrophobicContact CD1-CB 4.22Å; L161-F202 HydrophobicContact CD1-CD1 3.95Å; L161-F202 HydrophobicContact CD1-CD2 4.45Å; L161-F202 HydrophobicContact CD1-CE1 4.42Å; L161-F202 HydrophobicContact CD1-CG 3.98Å; S164-F202 WeakPolarHBondContact OG-CB 3.49Å; K198-F202 HydrophobicContact CG-CD2 4.47Å; K198-F202 HydrophobicContact CG-CE2 4.09Å; K198-F202 WeakPolarHBondContact O-CD2 3.47Å; K198-F202 PolarHBondContact O-N 2.91Å; I199-F202 PolarHBondContact O-N 3.18Å; M200-F202 VanDerWaalsContact C-N 3.26Å; M200-F202 PolarHBondContact O-N 2.92Å; F202-S204 VanDerWaalsContact C-N 3.33Å; F202-S204 PolarHBondContact O-N 3Å; F202-K205 WeakPolarHBondContact O-CB 3.48Å; F202-K205 PolarHBondContact O-N 2.93Å; F202-H206 PolarHBondContact O-CD2 3.29Å
203	H	97.7	Very high	94.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.7	-38.7	-179.8	-172.6	-164.7	0	0	0	111.9	I167 Q168 G172 F174 C179 I199 M200 K205 H206	I167-H203 HydrophobicContact CD1-CB 4.1Å; I167-H203 WeakPolarHBondContact CD1-ND1 3.49Å; I167-H203 HydrophobicContact CG1-CB 4.42Å; Q168-H203 PolarHBondContact OE1-CD2 3.27Å; Q168-H203 PolarHBondContact OE1-NE2 3.39Å; G172-H203 PolarHBondContact O-CE1 2.89Å; G172-H203 PolarHBondContact O-NE2 3.21Å; F174-H203 HydrophobicContact CD2-CB 3.89Å; F174-H203 AromaticContact CD2-CG 3.81Å; F174-H203 AromaticContact CD2-ND1 3.61Å; C179-H203 PolarHBondContact SG-ND1 2.96Å; I199-H203 WeakPolarHBondContact O-CB 3.2Å; I199-H203 PolarHBondContact O-N 2.87Å; M200-H203 PolarHBondContact O-N 2.97Å; H203-K205 PolarHBondContact O-N 3.2Å; H203-H206 WeakPolarHBondContact O-CB 3.39Å; H203-H206 PolarHBondContact O-N 3.49Å
204	S	96.6	Very high	95	Very high	45 Å²	45	49.3 Å²	49.3	32%	0.315	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-17	174.1	67	0	0	0	0	114.6	M200 E201 F202 I207	M200-S204 PolarHBondContact O-N 3.24Å; M200-S204 PolarHBondContact O-OG 2.91Å; E201-S204 PolarHBondContact O-OG 2.68Å; F202-S204 VanDerWaalsContact C-N 3.33Å; F202-S204 PolarHBondContact O-N 3Å; S204-I207 WeakPolarHBondContact O-CD1 3.47Å
205	K	96.1	Very high	95	Very high	113 Å²	113	44.3 Å²	44.3	49%	0.491	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-1	176.4	-59	166.4	-170.9	153.6	0	113	E201 F202 H203	E201-K205 WeakPolarHBondContact O-CD 3.49Å; E201-K205 WeakPolarHBondContact O-CE 3.41Å; E201-K205 PolarHBondContact O-NZ 3.16Å; E201-K205 VanDerWaalsContact O-NZ 3.13Å; E201-K205 IonicContact OE1-NZ 3.27Å; E201-K205 PolarHBondContact OE1-NZ 2.86Å; F202-K205 WeakPolarHBondContact O-CB 3.48Å; F202-K205 PolarHBondContact O-N 2.93Å; H203-K205 PolarHBondContact O-N 3.2Å
206	H	94.7	Very high	94.9	Very high	11 Å²	11	46.7 Å²	46.7	5%	0.051	25%	0.253	C	S	.	.			trans	-103.4	4.3	-177.7	-60.5	173.8	0	0	0	113.7	S164 H165 Q168 F202 H203 G208 Q209	S164-H206 PolarHBondContact O-ND1 3.37Å; S164-H206 PolarHBondContact OG-CE1 3.18Å; H165-H206 AromaticContact CD2-CE1 3.78Å; H165-H206 AromaticContact CE1-CE1 3.16Å; H165-H206 PolarHBondContact CE1-CE1 2.96Å; H165-H206 AromaticContact CE1-ND1 3.73Å; H165-H206 AromaticContact CE1-NE2 3.37Å; H165-H206 PolarHBondContact CE1-NE2 3.42Å; H165-H206 AromaticContact CG-CE1 3.68Å; H165-H206 AromaticContact ND1-CE1 3.31Å; H165-H206 PolarHBondContact ND1-CE1 2.99Å; H165-H206 VanDerWaalsContact ND1-CE1 3.31Å; H165-H206 AromaticContact ND1-ND1 3.55Å; H165-H206 AromaticContact ND1-NE2 3.97Å; H165-H206 AromaticContact NE2-CE1 3.49Å; H165-H206 PolarHBondContact NE2-CE1 2.99Å; H165-H206 AromaticContact NE2-NE2 3.66Å; Q168-H206 HydrophobicContact CB-CB 4.29Å; Q168-H206 HydrophobicContact CG-CB 3.94Å; Q168-H206 PolarHBondContact NE2-O 3.37Å; F202-H206 PolarHBondContact O-CD2 3.29Å; H203-H206 WeakPolarHBondContact O-CB 3.39Å; H203-H206 PolarHBondContact O-N 3.49Å; H206-G208 PolarHBondContact O-N 2.8Å; H206-Q209 VanDerWaalsContact O-CB 3.25Å; H206-Q209 WeakPolarHBondContact O-CB 3.22Å; H206-Q209 VanDerWaalsContact O-CG 3.26Å; H206-Q209 WeakPolarHBondContact O-CG 3.15Å; H206-Q209 PolarHBondContact O-N 2.67Å
207	I	93.3	Very high	94.9	Very high	108 Å²	108	50 Å²	50	55%	0.554	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	129.3	-179.1	-62.2	170.9	0	0	0	111.1	D173 F174 S204	D173-I207 WeakPolarHBondContact OD1-CA 3.42Å; F174-I207 HydrophobicContact CB-CG1 4.37Å; S204-I207 WeakPolarHBondContact O-CD1 3.47Å
208	G	90.8	Very high	94.9	Very high	61 Å²	61	45.4 Å²	45.4	63%	0.629	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	87	-4.3	-177.6	0	0	0	0	0	115.2	D173 H206	D173-G208 PolarHBondContact OD1-N 3.37Å; D173-G208 PolarHBondContact OD2-N 3.07Å; H206-G208 PolarHBondContact O-N 2.8Å
209	Q	94.4	Very high	94.8	Very high	53 Å²	53	42.8 Å²	42.8	25%	0.248	23%	0.233	C	C	.	.			trans	-77.2	126.1	174.2	-66.2	178.5	24.1	0	0	110.9	Q168 H206	Q168-Q209 HydrophobicContact CG-CB 4.2Å; Q168-Q209 PolarHBondContact NE2-O 2.83Å; H206-Q209 VanDerWaalsContact O-CB 3.25Å; H206-Q209 WeakPolarHBondContact O-CB 3.22Å; H206-Q209 VanDerWaalsContact O-CG 3.26Å; H206-Q209 WeakPolarHBondContact O-CG 3.15Å; H206-Q209 PolarHBondContact O-N 2.67Å
210	S	92.9	Very high	94.6	Very high	45 Å²	45	44.5 Å²	44.5	32%	0.315	24%	0.241	S	C	.	.			trans	-69.1	158.1	173.4	69.6	0	0	0	0	111.9	A212 E213 S214	S210-A212 PolarHBondContact O-N 2.97Å; S210-E213 VanDerWaalsContact CB-OE2 3.23Å; S210-E213 WeakPolarHBondContact CB-OE2 3.22Å; S210-E213 PolarHBondContact N-OE2 2.94Å; S210-E213 PolarHBondContact O-N 2.95Å; S210-E213 WeakPolarHBondContact OG-CG 3.49Å; S210-E213 PolarHBondContact OG-N 2.84Å; S210-E213 PolarHBondContact OG-OE2 2.85Å; S210-S214 PolarHBondContact O-N 3.2Å
211	P	92.3	Very high	94.5	Very high	42 Å²	42	45 Å²	45	27%	0.273	25%	0.245	S	C	.	.	H	α-helix	trans	-53.5	-37.6	174.9	-30.2	37.4	0	0	0	113.5	E213 S214 D215	P211-E213 PolarHBondContact O-N 2.71Å; P211-S214 PolarHBondContact O-N 3.29Å; P211-D215 VanDerWaalsContact O-CB 3.3Å; P211-D215 WeakPolarHBondContact O-CB 3.46Å; P211-D215 PolarHBondContact O-N 2.93Å; P211-D215 VanDerWaalsContact O-OD2 3.13Å
212	A	90.8	Very high	94.4	Very high	19 Å²	19	40.2 Å²	40.2	16%	0.157	22%	0.222	C	C	.	.	H	α-helix	trans	-69.8	-29.4	179.2	0	0	0	0	0	113.8	E133 S210 F216	E133-A212 HydrophobicContact CG-CB 4.1Å; E133-A212 WeakPolarHBondContact OE1-CB 3.46Å; S210-A212 PolarHBondContact O-N 2.97Å; A212-F216 PolarHBondContact O-N 2.71Å
213	E	93.6	Very high	94	Very high	105 Å²	105	42.9 Å²	42.9	49%	0.491	23%	0.231	S	C	.	.	H	α-helix	trans	-78.1	-40.5	173	-70.4	162.3	127	0	0	110.8	S210 P211 F216 Q217	S210-E213 VanDerWaalsContact CB-OE2 3.23Å; S210-E213 WeakPolarHBondContact CB-OE2 3.22Å; S210-E213 PolarHBondContact N-OE2 2.94Å; S210-E213 PolarHBondContact O-N 2.95Å; S210-E213 WeakPolarHBondContact OG-CG 3.49Å; S210-E213 PolarHBondContact OG-N 2.84Å; S210-E213 PolarHBondContact OG-OE2 2.85Å; P211-E213 PolarHBondContact O-N 2.71Å; E213-F216 CarbonylContact O-C 3.55Å; E213-F216 WeakPolarHBondContact O-CA 3.45Å; E213-F216 WeakPolarHBondContact O-CB 3.34Å; E213-F216 PolarHBondContact O-N 2.92Å; E213-F216 VanDerWaalsContact O-N 3.13Å; E213-Q217 WeakPolarHBondContact O-CG 3.47Å; E213-Q217 PolarHBondContact O-N 3.03Å
214	S	95.1	Very high	93.7	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-68.1	-38.3	176.2	-159.6	0	0	0	0	112.3	H165 S210 P211 F216 Q217 L218	H165-S214 VanDerWaalsContact C-OG 3.31Å; H165-S214 WeakPolarHBondContact CA-OG 3.27Å; H165-S214 WeakPolarHBondContact CB-OG 3.48Å; H165-S214 PolarHBondContact ND1-OG 3.32Å; H165-S214 PolarHBondContact O-OG 3.18Å; S210-S214 PolarHBondContact O-N 3.2Å; P211-S214 PolarHBondContact O-N 3.29Å; S214-F216 PolarHBondContact O-N 2.75Å; S214-Q217 PolarHBondContact O-N 3.26Å; S214-L218 WeakPolarHBondContact O-CB 3.48Å; S214-L218 PolarHBondContact O-N 3.11Å
215	D	94.1	Very high	93.4	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-55.8	-38.8	168.7	-71.6	-29.9	0	0	0	111	A140 S169 P211 L219 R366	A140-D215 HydrophobicContact CB-CB 4.29Å; S169-D215 PolarHBondContact OG-OD1 3.04Å; P211-D215 VanDerWaalsContact O-CB 3.3Å; P211-D215 WeakPolarHBondContact O-CB 3.46Å; P211-D215 PolarHBondContact O-N 2.93Å; P211-D215 VanDerWaalsContact O-OD2 3.13Å; D215-L219 WeakPolarHBondContact O-CG 3.37Å; D215-L219 PolarHBondContact O-N 3.19Å; D215-R366 IonicContact OD2-CZ 2.79Å; D215-R366 IonicContact OD2-NE 3.95Å; D215-R366 PolarHBondContact OD2-NE 3.17Å; D215-R366 IonicContact OD2-NH2 3.62Å; D215-R366 PolarHBondContact OD2-NH2 2.61Å
216	F	93.5	Very high	92.9	Very high	65 Å²	65	47 Å²	47	29%	0.285	25%	0.248	S	C	.	.	H	α-helix	trans	-72.4	-45.9	176.7	179.4	-86.8	0	0	0	112.2	H127 A212 E213 S214 L218 L219 E220	H127-F216 AromaticContact CD2-CD2 3.66Å; H127-F216 AromaticContact CD2-CE2 3.57Å; H127-F216 AromaticContact NE2-CD2 3.48Å; H127-F216 WeakPolarHBondContact NE2-CD2 3.34Å; H127-F216 AromaticContact NE2-CE1 3.95Å; H127-F216 AromaticContact NE2-CE2 3.21Å; H127-F216 WeakPolarHBondContact NE2-CE2 3.36Å; H127-F216 AromaticContact NE2-CG 3.96Å; H127-F216 AromaticContact NE2-CZ 3.47Å; H127-F216 WeakPolarHBondContact NE2-CZ 3.31Å; A212-F216 PolarHBondContact O-N 2.71Å; E213-F216 CarbonylContact O-C 3.55Å; E213-F216 WeakPolarHBondContact O-CA 3.45Å; E213-F216 WeakPolarHBondContact O-CB 3.34Å; E213-F216 PolarHBondContact O-N 2.92Å; E213-F216 VanDerWaalsContact O-N 3.13Å; S214-F216 PolarHBondContact O-N 2.75Å; F216-L218 VanDerWaalsContact C-N 3.33Å; F216-L218 PolarHBondContact O-N 3.27Å; F216-L219 PolarHBondContact O-N 3.41Å; F216-L219 VanDerWaalsContact O-N 3.08Å; F216-E220 HydrophobicContact CE1-CG 4.09Å; F216-E220 PolarHBondContact O-N 3.01Å
217	Q	95.1	Very high	92.7	Very high	77 Å²	77	47 Å²	47	36%	0.36	25%	0.249	S	C	.	.	H	α-helix	trans	-64	-37.4	178.1	-64.9	-57	-19.7	0	0	112.2	H165 E213 S214 L219 E220 V221	H165-Q217 WeakPolarHBondContact CE1-CB 3.09Å; E213-Q217 WeakPolarHBondContact O-CG 3.47Å; E213-Q217 PolarHBondContact O-N 3.03Å; S214-Q217 PolarHBondContact O-N 3.26Å; Q217-L219 VanDerWaalsContact C-N 3.27Å; Q217-L219 PolarHBondContact O-N 2.94Å; Q217-E220 WeakPolarHBondContact O-CB 3.35Å; Q217-E220 PolarHBondContact O-N 3.01Å; Q217-E220 VanDerWaalsContact O-N 3.12Å; Q217-V221 WeakPolarHBondContact O-CG2 3.36Å; Q217-V221 PolarHBondContact O-N 3.15Å
218	L	96.1	Very high	92.7	Very high	2 Å²	2	43 Å²	43	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-54.2	-44.2	170.6	179	65	0	0	0	111.6	A140 I143 M162 H165 I166 S214 F216 V221 A222	A140-L218 HydrophobicContact CB-CD2 3.78Å; I143-L218 HydrophobicContact CG2-CD1 4.23Å; I143-L218 HydrophobicContact CG2-CD2 4.31Å; I143-L218 HydrophobicContact CG2-CG 4.22Å; M162-L218 HydrophobicContact CB-CD1 3.68Å; M162-L218 HydrophobicContact CE-CD1 3.57Å; M162-L218 HydrophobicContact CE-CG 4.36Å; M162-L218 HydrophobicContact CG-CD1 4Å; M162-L218 WeakPolarHBondContact O-CD1 3.37Å; H165-L218 HydrophobicContact CB-CB 4.06Å; H165-L218 HydrophobicContact CB-CD1 4.42Å; I166-L218 HydrophobicContact CD1-CD1 4.14Å; I166-L218 HydrophobicContact CD1-CD2 4.22Å; I166-L218 HydrophobicContact CG1-CD1 3.95Å; I166-L218 HydrophobicContact CG1-CD2 3.61Å; I166-L218 HydrophobicContact CG1-CG 4.42Å; S214-L218 WeakPolarHBondContact O-CB 3.48Å; S214-L218 PolarHBondContact O-N 3.11Å; F216-L218 VanDerWaalsContact C-N 3.33Å; F216-L218 PolarHBondContact O-N 3.27Å; L218-V221 PolarHBondContact O-N 3.41Å; L218-A222 VanDerWaalsContact O-CB 3.24Å; L218-A222 WeakPolarHBondContact O-CB 3.41Å; L218-A222 PolarHBondContact O-N 3.42Å
219	L	95.3	Very high	92.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-74.5	-28.1	178.4	-63.8	174.8	0	0	0	113	H127 R136 F139 I143 D215 F216 Q217 R223	H127-L219 HydrophobicContact CB-CB 4.12Å; H127-L219 HydrophobicContact CB-CD1 4.2Å; H127-L219 VanDerWaalsContact CE1-C 3.44Å; H127-L219 PolarHBondContact ND1-O 2.94Å; R136-L219 HydrophobicContact CB-CD1 4.17Å; R136-L219 HydrophobicContact CG-CD1 4.27Å; F139-L219 HydrophobicContact CB-CD1 4.05Å; F139-L219 HydrophobicContact CB-CD2 3.99Å; I143-L219 HydrophobicContact CG1-CD2 4.06Å; D215-L219 WeakPolarHBondContact O-CG 3.37Å; D215-L219 PolarHBondContact O-N 3.19Å; F216-L219 PolarHBondContact O-N 3.41Å; F216-L219 VanDerWaalsContact O-N 3.08Å; Q217-L219 VanDerWaalsContact C-N 3.27Å; Q217-L219 PolarHBondContact O-N 2.94Å; L219-R223 WeakPolarHBondContact O-CB 3.26Å; L219-R223 WeakPolarHBondContact O-CG 3.37Å; L219-R223 PolarHBondContact O-N 2.82Å; L219-R223 VanDerWaalsContact O-N 3.14Å
220	E	93.2	Very high	92.6	Very high	37 Å²	37	38.2 Å²	38.2	17%	0.173	19%	0.189	C	C	.	.	H	α-helix	trans	-64.1	-39.8	168.2	-102.5	-55.6	112.1	0	0	112.2	H127 F216 Q217 R223 K224	H127-E220 PolarHBondContact CE1-N 3.37Å; H127-E220 VanDerWaalsContact CE1-N 3.27Å; H127-E220 IonicContact CE1-OE1 2.6Å; H127-E220 PolarHBondContact CE1-OE1 3.46Å; H127-E220 VanDerWaalsContact CE1-OE1 3.32Å; F216-E220 HydrophobicContact CE1-CG 4.09Å; F216-E220 PolarHBondContact O-N 3.01Å; Q217-E220 WeakPolarHBondContact O-CB 3.35Å; Q217-E220 PolarHBondContact O-N 3.01Å; Q217-E220 VanDerWaalsContact O-N 3.12Å; E220-R223 IonicContact OE1-CZ 2.76Å; E220-R223 IonicContact OE1-NE 3.17Å; E220-R223 PolarHBondContact OE1-NE 2.84Å; E220-R223 IonicContact OE1-NH2 2.74Å; E220-R223 PolarHBondContact OE1-NH2 3.13Å; E220-R223 IonicContact OE2-CZ 3.64Å; E220-R223 IonicContact OE2-NE 2.7Å; E220-R223 IonicContact OE2-NH2 2.94Å; E220-R223 PolarHBondContact OE2-NH2 3.35Å; E220-K224 WeakPolarHBondContact O-CD 3.26Å; E220-K224 VanDerWaalsContact O-CE 3.3Å; E220-K224 WeakPolarHBondContact O-CE 3.4Å; E220-K224 WeakPolarHBondContact O-CG 3.5Å; E220-K224 PolarHBondContact O-NZ 2.74Å; E220-K224 WeakPolarHBondContact OE2-CE 3.12Å; E220-K224 IonicContact OE2-NZ 3.13Å; E220-K224 PolarHBondContact OE2-NZ 3.16Å
221	V	94	Very high	92.5	Very high	22 Å²	22	39.8 Å²	39.8	13%	0.133	19%	0.188	C	C	.	.	H	α-helix	trans	-73.6	-47.5	174.1	-178.8	0	0	0	0	110.1	L161 M162 Q217 L218 R223 K224	L161-V221 HydrophobicContact CD2-CG1 4.5Å; L161-V221 HydrophobicContact CD2-CG2 3.91Å; L161-V221 HydrophobicContact CG-CG2 4.25Å; M162-V221 HydrophobicContact CG-CB 3.99Å; M162-V221 HydrophobicContact CG-CG1 3.48Å; M162-V221 VanDerWaalsContact CG-CG1 3.48Å; M162-V221 HydrophobicContact SD-CG1 3.94Å; Q217-V221 WeakPolarHBondContact O-CG2 3.36Å; Q217-V221 PolarHBondContact O-N 3.15Å; L218-V221 PolarHBondContact O-N 3.41Å; V221-R223 PolarHBondContact O-N 3.34Å; V221-K224 PolarHBondContact O-N 2.76Å
222	A	94.4	Very high	92.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-54	-49.9	-176.4	0	0	0	0	0	112.7	I143 M162 L218 K224 L225 Y228	I143-A222 HydrophobicContact CD1-CB 4.14Å; I143-A222 HydrophobicContact CG1-CB 4.29Å; I143-A222 HydrophobicContact CG2-CB 4.31Å; M162-A222 HydrophobicContact CE-CB 3.45Å; M162-A222 VanDerWaalsContact CE-CB 3.45Å; L218-A222 VanDerWaalsContact O-CB 3.24Å; L218-A222 WeakPolarHBondContact O-CB 3.41Å; L218-A222 PolarHBondContact O-N 3.42Å; A222-K224 PolarHBondContact O-N 2.94Å; A222-L225 WeakPolarHBondContact O-CB 3.3Å; A222-L225 PolarHBondContact O-N 2.7Å; A222-Y228 HydrophobicContact CB-CD2 3.67Å; A222-Y228 HydrophobicContact CB-CE2 3.79Å; A222-Y228 WeakPolarHBondContact O-CB 3.48Å
223	R	90.9	Very high	92.7	Very high	92 Å²	92	41.5 Å²	41.5	35%	0.347	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-11.6	-174.8	73.6	173.8	-177.9	78.8	6	114.9	L219 E220 V221 Y228	L219-R223 WeakPolarHBondContact O-CB 3.26Å; L219-R223 WeakPolarHBondContact O-CG 3.37Å; L219-R223 PolarHBondContact O-N 2.82Å; L219-R223 VanDerWaalsContact O-N 3.14Å; E220-R223 IonicContact OE1-CZ 2.76Å; E220-R223 IonicContact OE1-NE 3.17Å; E220-R223 PolarHBondContact OE1-NE 2.84Å; E220-R223 IonicContact OE1-NH2 2.74Å; E220-R223 PolarHBondContact OE1-NH2 3.13Å; E220-R223 IonicContact OE2-CZ 3.64Å; E220-R223 IonicContact OE2-NE 2.7Å; E220-R223 IonicContact OE2-NH2 2.94Å; E220-R223 PolarHBondContact OE2-NH2 3.35Å; V221-R223 PolarHBondContact O-N 3.34Å; R223-Y228 HydrophobicContact CB-CD1 4.39Å; R223-Y228 HydrophobicContact CB-CE1 4.36Å
224	K	90.4	Very high	92.8	Very high	129 Å²	129	40.7 Å²	40.7	56%	0.561	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-7.8	178.3	-62.4	172	-177.8	118.9	0	112.4	E220 V221 A222	E220-K224 WeakPolarHBondContact O-CD 3.26Å; E220-K224 VanDerWaalsContact O-CE 3.3Å; E220-K224 WeakPolarHBondContact O-CE 3.4Å; E220-K224 WeakPolarHBondContact O-CG 3.5Å; E220-K224 PolarHBondContact O-NZ 2.74Å; E220-K224 WeakPolarHBondContact OE2-CE 3.12Å; E220-K224 IonicContact OE2-NZ 3.13Å; E220-K224 PolarHBondContact OE2-NZ 3.16Å; V221-K224 PolarHBondContact O-N 2.76Å; A222-K224 PolarHBondContact O-N 2.94Å
225	L	89.9	Confident	92.8	Very high	26 Å²	26	41 Å²	41	14%	0.136	20%	0.197	C	C	.	.	S	Bend	trans	-91.7	136.3	-179.6	-57.7	174.3	0	0	0	111.4	M152 C154 M162 A222 F227 Y228	M152-L225 HydrophobicContact CE-CD1 4.14Å; M152-L225 HydrophobicContact CG-CD1 4.38Å; M152-L225 HydrophobicContact SD-CD1 3.98Å; C154-L225 HydrophobicContact CB-CD1 3.73Å; C154-L225 HydrophobicContact CB-CD2 3.71Å; C154-L225 HydrophobicContact CB-CG 4.31Å; M162-L225 HydrophobicContact SD-CD1 3.57Å; M162-L225 VanDerWaalsContact SD-CD1 3.57Å; A222-L225 WeakPolarHBondContact O-CB 3.3Å; A222-L225 PolarHBondContact O-N 2.7Å; L225-F227 PolarHBondContact O-N 2.79Å; L225-Y228 WeakPolarHBondContact O-CB 3.47Å; L225-Y228 PolarHBondContact O-N 3.34Å
226	D	86	Confident	92.9	Very high	89 Å²	89	44.8 Å²	44.8	48%	0.476	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.1	179.7	-88.1	-38.8	0	0	0	114.4	I230 R260	D226-I230 VanDerWaalsContact O-CG1 3.29Å; D226-I230 WeakPolarHBondContact O-CG1 3.47Å; D226-R260 IonicContact OD1-CZ 2.72Å; D226-R260 VanDerWaalsContact OD1-CZ 3.23Å; D226-R260 IonicContact OD1-NH1 2.68Å; D226-R260 PolarHBondContact OD1-NH1 2.97Å; D226-R260 IonicContact OD1-NH2 3Å; D226-R260 PolarHBondContact OD1-NH2 3.36Å
227	F	90.6	Very high	92.8	Very high	13 Å²	13	43.2 Å²	43.2	6%	0.057	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	3.2	179.6	-80.7	-96.9	0	0	0	114.8	M152 T153 L225 G229 I230 L232 F255 H258	M152-F227 HydrophobicContact CB-CB 4.44Å; M152-F227 HydrophobicContact CG-CB 3.88Å; T153-F227 WeakPolarHBondContact OG1-CD2 3.38Å; T153-F227 WeakPolarHBondContact OG1-CE2 3.28Å; T153-F227 WeakPolarHBondContact OG1-CG 3.45Å; L225-F227 PolarHBondContact O-N 2.79Å; F227-G229 PolarHBondContact O-N 3.36Å; F227-G229 VanDerWaalsContact O-N 3.08Å; F227-I230 HydrophobicContact CD1-CB 4.31Å; F227-I230 HydrophobicContact CD1-CG2 4.24Å; F227-I230 HydrophobicContact CE1-CG2 4.44Å; F227-I230 PolarHBondContact O-N 2.92Å; F227-L232 HydrophobicContact CE1-CD1 4.15Å; F227-L232 HydrophobicContact CE1-CD2 4.48Å; F227-L232 HydrophobicContact CE1-CG 4.46Å; F227-F255 HydrophobicContact CE1-CE1 4.46Å; F227-F255 HydrophobicContact CE2-CE1 4Å; F227-F255 HydrophobicContact CZ-CD1 4.04Å; F227-F255 AromaticContact CZ-CE1 3.83Å; F227-F255 HydrophobicContact CZ-CE1 3.83Å; F227-H258 HydrophobicContact CE2-CB 4.29Å; F227-H258 WeakPolarHBondContact CE2-O 3.12Å; F227-H258 HydrophobicContact CZ-CB 3.82Å; F227-H258 AromaticContact CZ-CD2 3.99Å; F227-H258 VanDerWaalsContact CZ-O 3.24Å; F227-H258 WeakPolarHBondContact CZ-O 3.01Å
228	Y	92.3	Very high	92.2	Very high	22 Å²	22	45.2 Å²	45.2	9%	0.086	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	114.8	176.8	-178.9	-105.7	0	0	0	112	F123 P124 I143 A222 R223 L225 I230	F123-Y228 HydrophobicContact CB-CD1 4.41Å; F123-Y228 HydrophobicContact CB-CE1 3.91Å; F123-Y228 HydrophobicContact CD1-CE1 4.15Å; F123-Y228 HydrophobicContact CD1-CE2 4.29Å; F123-Y228 AromaticContact CD1-CZ 3.94Å; P124-Y228 WeakPolarHBondContact O-CE1 3.01Å; I143-Y228 HydrophobicContact CD1-CD2 3.86Å; I143-Y228 HydrophobicContact CD1-CE2 3.81Å; I143-Y228 HydrophobicContact CG1-CE2 4.42Å; A222-Y228 HydrophobicContact CB-CD2 3.67Å; A222-Y228 HydrophobicContact CB-CE2 3.79Å; A222-Y228 WeakPolarHBondContact O-CB 3.48Å; R223-Y228 HydrophobicContact CB-CD1 4.39Å; R223-Y228 HydrophobicContact CB-CE1 4.36Å; L225-Y228 WeakPolarHBondContact O-CB 3.47Å; L225-Y228 PolarHBondContact O-N 3.34Å; Y228-I230 PolarHBondContact O-N 3.05Å
229	G	91.2	Very high	91.7	Very high	4 Å²	4	52.2 Å²	52.2	4%	0.041	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	6.5	-177.8	0	0	0	0	0	115.7	F227	F227-G229 PolarHBondContact O-N 3.36Å; F227-G229 VanDerWaalsContact O-N 3.08Å
230	I	92.3	Very high	91.3	Very high	11 Å²	11	53.7 Å²	53.7	6%	0.056	26%	0.26	C	S	.	.			trans	-75.8	137.6	-174.4	-62.7	-51.6	0	0	0	111.2	D226 F227 Y228 L232 A246 A248 L253 F255	D226-I230 VanDerWaalsContact O-CG1 3.29Å; D226-I230 WeakPolarHBondContact O-CG1 3.47Å; F227-I230 HydrophobicContact CD1-CB 4.31Å; F227-I230 HydrophobicContact CD1-CG2 4.24Å; F227-I230 HydrophobicContact CE1-CG2 4.44Å; F227-I230 PolarHBondContact O-N 2.92Å; Y228-I230 PolarHBondContact O-N 3.05Å; I230-L232 HydrophobicContact CG2-CD2 3.72Å; I230-L232 HydrophobicContact CG2-CG 4.31Å; I230-A246 HydrophobicContact CG2-CB 3.88Å; I230-A248 HydrophobicContact CD1-CB 4.48Å; I230-L253 HydrophobicContact CD1-CD1 3.81Å; I230-F255 HydrophobicContact CG1-CZ 4.38Å; I230-F255 HydrophobicContact CG2-CE2 4.12Å; I230-F255 HydrophobicContact CG2-CZ 4.12Å
231	R	91.8	Very high	91.3	Very high	78 Å²	78	54.1 Å²	54.1	29%	0.294	27%	0.267	S	S	.	.			trans	-130.3	112	172.4	-60.9	-64.1	-179.6	-110.1	7	108.3	D146 H233 A246	D146-R231 VanDerWaalsContact CG-NH2 3.27Å; D146-R231 IonicContact OD1-CZ 3.72Å; D146-R231 IonicContact OD1-NH1 3.66Å; D146-R231 IonicContact OD1-NH2 3.66Å; D146-R231 PolarHBondContact OD1-NH2 3.48Å; D146-R231 IonicContact OD2-CZ 3.55Å; D146-R231 IonicContact OD2-NH1 2.71Å; D146-R231 PolarHBondContact OD2-NH1 2.95Å; D146-R231 IonicContact OD2-NH2 2.82Å; D146-R231 PolarHBondContact OD2-NH2 2.63Å; R231-H233 PolarHBondContact O-CD2 3.2Å; R231-A246 WeakPolarHBondContact O-CB 3.35Å
232	L	92.9	Very high	91.3	Very high	52 Å²	52	61.5 Å²	61.5	27%	0.272	30%	0.297	S	S	.	.			trans	-82	130.4	-175.9	-63.3	-174.6	0	0	0	111.4	F227 I230 N244 A246 F255	F227-L232 HydrophobicContact CE1-CD1 4.15Å; F227-L232 HydrophobicContact CE1-CD2 4.48Å; F227-L232 HydrophobicContact CE1-CG 4.46Å; I230-L232 HydrophobicContact CG2-CD2 3.72Å; I230-L232 HydrophobicContact CG2-CG 4.31Å; L232-N244 HydrophobicContact CB-CB 3.99Å; L232-N244 HydrophobicContact CD1-CB 4.24Å; L232-N244 HydrophobicContact CD2-CB 3.93Å; L232-N244 HydrophobicContact CG-CB 4.27Å; L232-A246 HydrophobicContact CD2-CB 4.36Å; L232-F255 HydrophobicContact CD2-CB 4.24Å; L232-F255 HydrophobicContact CD2-CD2 3.79Å; L232-F255 HydrophobicContact CD2-CE2 4.22Å; L232-F255 HydrophobicContact CD2-CG 3.96Å
233	H	94.1	Very high	91.3	Very high	44 Å²	44	61.9 Å²	61.9	20%	0.204	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	109.6	175.2	-65.1	-87.1	0	0	0	110.4	R231 A235 L245 M299 F308	R231-H233 PolarHBondContact O-CD2 3.2Å; H233-A235 PolarHBondContact O-N 2.91Å; H233-L245 WeakPolarHBondContact CB-O 3.41Å; H233-L245 PolarHBondContact N-O 3.35Å; H233-L245 PolarHBondContact O-N 2.64Å; H233-M299 HydrophobicContact CB-CE 3.73Å; H233-F308 HydrophobicContact CB-CD2 3.89Å; H233-F308 HydrophobicContact CB-CE2 4.2Å; H233-F308 AromaticContact CD2-CD2 3.39Å; H233-F308 WeakPolarHBondContact CD2-CD2 3.22Å; H233-F308 AromaticContact CD2-CE2 3.58Å; H233-F308 AromaticContact CG-CD2 3.6Å; H233-F308 AromaticContact NE2-CD2 3.95Å
234	P	94.8	Very high	91.6	Very high	88 Å²	88	59 Å²	59	57%	0.571	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.1	131.9	-177.6	-29.3	36	0	0	0	114.4	N244	P234-N244 WeakPolarHBondContact CA-OD1 3.23Å
235	A	96.3	Very high	91.9	Very high	8 Å²	8	52.8 Å²	52.8	7%	0.066	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	-177.9	-177.6	0	0	0	0	0	111	H233 L243 L245 L298 M299	H233-A235 PolarHBondContact O-N 2.91Å; A235-L243 CarbonylContact C-O 3.54Å; A235-L243 PolarHBondContact N-O 3.27Å; A235-L243 PolarHBondContact O-N 3.01Å; A235-L245 HydrophobicContact CB-CD1 4.07Å; A235-L245 HydrophobicContact CB-CG 3.9Å; A235-L298 CarbonylContact C-O 3.56Å; A235-L298 WeakPolarHBondContact CA-O 3.11Å; A235-M299 HydrophobicContact CB-CG 4.24Å
236	K	95.4	Very high	92.2	Very high	82 Å²	82	51.6 Å²	51.6	36%	0.357	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	160.5	164.3	-57.9	-175.6	159.1	-137.6	0	109.2	G240 S241 F297 L298	K236-G240 WeakPolarHBondContact CD-O 3.49Å; K236-G240 WeakPolarHBondContact CE-O 3.47Å; K236-G240 PolarHBondContact NZ-O 3.47Å; K236-S241 WeakPolarHBondContact CA-O 3.26Å; K236-S241 WeakPolarHBondContact CB-O 3.48Å; K236-S241 VanDerWaalsContact CG-O 3.32Å; K236-S241 WeakPolarHBondContact CG-O 3.39Å; K236-F297 CarbonylContact O-C 3.57Å; K236-F297 WeakPolarHBondContact O-CA 3.18Å; K236-L298 HydrophobicContact CB-CB 4.26Å; K236-L298 PolarHBondContact N-O 2.75Å; K236-L298 PolarHBondContact O-N 3.39Å
237	D	90.8	Very high	92.7	Very high	31 Å²	31	47.7 Å²	47.7	17%	0.166	24%	0.237	C	C	.	.			trans	-75	-154.6	162.7	55	16.8	0	0	0	110.4	E239 G240 S241 L243	D237-E239 VanDerWaalsContact CB-OE2 3.26Å; D237-E239 WeakPolarHBondContact CB-OE2 3.09Å; D237-E239 VanDerWaalsContact CG-OE2 3.24Å; D237-E239 PolarHBondContact OD1-N 3.07Å; D237-G240 PolarHBondContact OD1-N 2.81Å; D237-S241 PolarHBondContact OD1-N 3.44Å; D237-S241 PolarHBondContact OD1-OG 2.88Å; D237-S241 WeakPolarHBondContact OD2-CB 3.39Å; D237-S241 PolarHBondContact OD2-OG 2.8Å; D237-L243 HydrophobicContact CB-CD1 3.87Å
238	R	84.1	Confident	92.9	Very high	119 Å²	119	47.7 Å²	47.7	45%	0.449	24%	0.239	S	C	.	.	S	Bend	trans	-90.2	-27.9	177.3	-58.9	177.4	175.3	-170.2	7.9	112	G240 T294 E296	R238-G240 VanDerWaalsContact C-N 3.32Å; R238-T294 PolarHBondContact NH2-O 3.31Å; R238-E296 HydrophobicContact CG-CB 4.27Å
239	E	85.8	Confident	92.9	Very high	150 Å²	150	49.4 Å²	49.4	70%	0.701	25%	0.248	S	C	*	.	S	Bend	trans	-74.3	-26.3	-177.1	-61.5	62.6	-140.7	0	0	110.7	D237	D237-E239 VanDerWaalsContact CB-OE2 3.26Å; D237-E239 WeakPolarHBondContact CB-OE2 3.09Å; D237-E239 VanDerWaalsContact CG-OE2 3.24Å; D237-E239 PolarHBondContact OD1-N 3.07Å
240	G	86.9	Confident	92.9	Very high	30 Å²	30	51.9 Å²	51.9	31%	0.309	26%	0.263	S	S	.	.			trans	111.4	2.9	171.9	0	0	0	0	0	114.7	K236 D237 R238	K236-G240 WeakPolarHBondContact CD-O 3.49Å; K236-G240 WeakPolarHBondContact CE-O 3.47Å; K236-G240 PolarHBondContact NZ-O 3.47Å; D237-G240 PolarHBondContact OD1-N 2.81Å; R238-G240 VanDerWaalsContact C-N 3.32Å
241	S	91.6	Very high	93.1	Very high	47 Å²	47	51.4 Å²	51.4	33%	0.329	26%	0.26	S	S	.	.			trans	-58.9	143.7	-179.7	-40.6	0	0	0	0	111.2	K236 D237 L243	K236-S241 WeakPolarHBondContact CA-O 3.26Å; K236-S241 WeakPolarHBondContact CB-O 3.48Å; K236-S241 VanDerWaalsContact CG-O 3.32Å; K236-S241 WeakPolarHBondContact CG-O 3.39Å; D237-S241 PolarHBondContact OD1-N 3.44Å; D237-S241 PolarHBondContact OD1-OG 2.88Å; D237-S241 WeakPolarHBondContact OD2-CB 3.39Å; D237-S241 PolarHBondContact OD2-OG 2.8Å; S241-L243 PolarHBondContact O-N 3.36Å
242	K	94.4	Very high	93.3	Very high	176 Å²	176	47.7 Å²	47.7	77%	0.765	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	116.1	174.8	-65.1	176.9	-176	172.4	0	109
243	L	95.9	Very high	93.5	Very high	9 Å²	9	45.7 Å²	45.7	5%	0.047	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	162.5	-179.7	-63	178.2	0	0	0	110.6	A235 D237 S241 V254 F255 Q256 I261 F297	A235-L243 CarbonylContact C-O 3.54Å; A235-L243 PolarHBondContact N-O 3.27Å; A235-L243 PolarHBondContact O-N 3.01Å; D237-L243 HydrophobicContact CB-CD1 3.87Å; S241-L243 PolarHBondContact O-N 3.36Å; L243-V254 HydrophobicContact CB-CG1 4.45Å; L243-V254 HydrophobicContact CD1-CG1 4.03Å; L243-F255 WeakPolarHBondContact CA-O 3.47Å; L243-Q256 HydrophobicContact CD2-CB 3.88Å; L243-Q256 HydrophobicContact CD2-CG 4.05Å; L243-I261 HydrophobicContact CD2-CD1 3.71Å; L243-F297 HydrophobicContact CD1-CE1 4.37Å
244	N	95.2	Very high	93.5	Very high	30 Å²	30	43.7 Å²	43.7	16%	0.16	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	133	168.9	-70.4	-53.5	0	0	0	109.3	L232 P234 F255 T257	L232-N244 HydrophobicContact CB-CB 3.99Å; L232-N244 HydrophobicContact CD1-CB 4.24Å; L232-N244 HydrophobicContact CD2-CB 3.93Å; L232-N244 HydrophobicContact CG-CB 4.27Å; P234-N244 WeakPolarHBondContact CA-OD1 3.23Å; N244-F255 HydrophobicContact CB-CB 4.2Å; N244-F255 PolarHBondContact N-O 3.24Å; N244-F255 PolarHBondContact O-N 2.68Å; N244-T257 PolarHBondContact ND2-O 3.43Å
245	L	96.8	Very high	93.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	142.3	170.7	-58.9	179.1	0	0	0	110	H233 A235 L253 V254 F279 F297 F308	H233-L245 WeakPolarHBondContact CB-O 3.41Å; H233-L245 PolarHBondContact N-O 3.35Å; H233-L245 PolarHBondContact O-N 2.64Å; A235-L245 HydrophobicContact CB-CD1 4.07Å; A235-L245 HydrophobicContact CB-CG 3.9Å; L245-L253 WeakPolarHBondContact CA-O 3.43Å; L245-V254 HydrophobicContact CD2-CB 4.43Å; L245-V254 HydrophobicContact CD2-CG1 4.22Å; L245-V254 HydrophobicContact CD2-CG2 3.89Å; L245-F279 HydrophobicContact CD1-CD1 4.13Å; L245-F297 HydrophobicContact CD1-CB 3.85Å; L245-F297 HydrophobicContact CD1-CD2 4.25Å; L245-F297 HydrophobicContact CD1-CG 3.97Å; L245-F297 HydrophobicContact CD2-CD1 4Å; L245-F297 HydrophobicContact CD2-CD2 4.37Å; L245-F297 HydrophobicContact CD2-CE1 4.12Å; L245-F297 HydrophobicContact CD2-CE2 4.49Å; L245-F297 HydrophobicContact CD2-CG 4.13Å; L245-F297 HydrophobicContact CD2-CZ 4.37Å; L245-F308 HydrophobicContact CB-CE1 3.86Å; L245-F308 HydrophobicContact CB-CE2 3.89Å; L245-F308 HydrophobicContact CB-CZ 3.41Å; L245-F308 VanDerWaalsContact CB-CZ 3.41Å; L245-F308 HydrophobicContact CD1-CD1 4.28Å; L245-F308 HydrophobicContact CD1-CE1 3.76Å; L245-F308 HydrophobicContact CD1-CZ 4.21Å; L245-F308 HydrophobicContact CG-CE1 4.46Å; L245-F308 HydrophobicContact CG-CZ 4.44Å
246	A	96.4	Very high	93.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	169	172.1	0	0	0	0	0	111.1	I230 R231 L232 V252 L253 F255	I230-A246 HydrophobicContact CG2-CB 3.88Å; R231-A246 WeakPolarHBondContact O-CB 3.35Å; L232-A246 HydrophobicContact CD2-CB 4.36Å; A246-V252 WeakPolarHBondContact O-CA 3.33Å; A246-L253 HydrophobicContact CB-CB 4.33Å; A246-L253 PolarHBondContact N-O 3.21Å; A246-L253 PolarHBondContact O-N 3.37Å; A246-F255 HydrophobicContact CB-CD2 4.32Å; A246-F255 HydrophobicContact CB-CE2 4Å
247	V	96.4	Very high	92.6	Very high	8 Å²	8	44.8 Å²	44.8	5%	0.048	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	132.5	179.4	-166.4	0	0	0	0	108.5	W266 F308 I311 C312 Y315	V247-W266 HydrophobicContact CG1-CH2 3.78Å; V247-W266 HydrophobicContact CG1-CZ2 3.66Å; V247-F308 HydrophobicContact CG2-CD2 4.13Å; V247-F308 HydrophobicContact CG2-CE2 3.42Å; V247-F308 VanDerWaalsContact CG2-CE2 3.42Å; V247-F308 HydrophobicContact CG2-CZ 3.69Å; V247-I311 HydrophobicContact CB-CG2 3.98Å; V247-I311 HydrophobicContact CG1-CG2 4.32Å; V247-I311 HydrophobicContact CG2-CB 4.39Å; V247-I311 HydrophobicContact CG2-CG2 3.77Å; V247-C312 VanDerWaalsContact CG2-SG 3.5Å; V247-Y315 HydrophobicContact CB-CD1 4.49Å; V247-Y315 HydrophobicContact CB-CG 4.36Å; V247-Y315 HydrophobicContact CG1-CD1 3.8Å; V247-Y315 HydrophobicContact CG1-CD2 4.03Å; V247-Y315 HydrophobicContact CG1-CG 3.5Å
248	A	94.8	Very high	92.1	Very high	12 Å²	12	48.1 Å²	48.1	10%	0.099	25%	0.245	C	C	.	.			trans	-136.7	170.8	179.9	0	0	0	0	0	110.8	I230 T250 G251 L253 W266	I230-A248 HydrophobicContact CD1-CB 4.48Å; A248-T250 PolarHBondContact O-N 3.33Å; A248-T250 VanDerWaalsContact O-N 3.15Å; A248-G251 PolarHBondContact N-O 3.11Å; A248-G251 PolarHBondContact O-N 3.48Å; A248-L253 HydrophobicContact CB-CD1 3.88Å; A248-L253 HydrophobicContact CB-CG 4.18Å; A248-W266 WeakPolarHBondContact O-CZ2 3.2Å; A248-W266 PolarHBondContact O-NE1 2.92Å; A248-W266 VanDerWaalsContact O-NE1 3.14Å
249	H	92.7	Very high	92.1	Very high	58 Å²	58	47.2 Å²	47.2	27%	0.269	25%	0.253	S	S	.	.	S	Bend	trans	-59	-24.9	176	64.6	-98.3	0	0	0	112.7	W266 F319	H249-W266 PolarHBondContact O-NE1 3.4Å; H249-W266 VanDerWaalsContact O-NE1 3.13Å; H249-F319 HydrophobicContact CB-CB 4.46Å; H249-F319 HydrophobicContact CB-CD1 3.87Å; H249-F319 HydrophobicContact CB-CD2 3.79Å; H249-F319 HydrophobicContact CB-CE1 3.97Å; H249-F319 HydrophobicContact CB-CE2 3.87Å; H249-F319 HydrophobicContact CB-CG 3.79Å; H249-F319 HydrophobicContact CB-CZ 3.96Å
250	T	92.4	Very high	92.4	Very high	57 Å²	57	45.4 Å²	45.4	35%	0.35	24%	0.24	S	C	.	.	S	Bend	trans	-79.7	-35.6	176.2	51.2	0	0	0	0	114.5	A248 N265 W266	A248-T250 PolarHBondContact O-N 3.33Å; A248-T250 VanDerWaalsContact O-N 3.15Å; T250-N265 VanDerWaalsContact O-CA 3.31Å; T250-N265 WeakPolarHBondContact O-CA 3.38Å; T250-W266 VanDerWaalsContact O-CD1 3.23Å; T250-W266 PolarHBondContact O-N 2.86Å
251	G	95.3	Very high	92.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.4	-163.5	-166.2	0	0	0	0	0	115.2	A248 F264 W266	A248-G251 PolarHBondContact N-O 3.11Å; A248-G251 PolarHBondContact O-N 3.48Å; G251-F264 CarbonylContact C-O 3.47Å; G251-F264 WeakPolarHBondContact CA-O 3.24Å; G251-W266 VanDerWaalsContact CA-CE2 3.43Å; G251-W266 VanDerWaalsContact N-NE1 3.19Å
252	V	97	Very high	92.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	123.3	167.8	177.7	0	0	0	0	108.6	A246 F264 W266 I269 I281 F308	A246-V252 WeakPolarHBondContact O-CA 3.33Å; V252-F264 PolarHBondContact N-O 2.98Å; V252-F264 PolarHBondContact O-N 2.98Å; V252-W266 HydrophobicContact CG2-CH2 3.83Å; V252-W266 HydrophobicContact CG2-CZ3 3.89Å; V252-I269 HydrophobicContact CG2-CD1 4.11Å; V252-I281 HydrophobicContact CB-CD1 4.23Å; V252-I281 HydrophobicContact CG1-CD1 3.97Å; V252-F308 HydrophobicContact CG1-CE1 4.19Å; V252-F308 HydrophobicContact CG1-CZ 4.03Å
253	L	95.8	Very high	92.5	Very high	10 Å²	10	43.6 Å²	43.6	5%	0.052	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	149.6	-180	-51.8	-176.8	0	0	0	110.8	I230 L245 A246 A248 F255 A263	I230-L253 HydrophobicContact CD1-CD1 3.81Å; L245-L253 WeakPolarHBondContact CA-O 3.43Å; A246-L253 HydrophobicContact CB-CB 4.33Å; A246-L253 PolarHBondContact N-O 3.21Å; A246-L253 PolarHBondContact O-N 3.37Å; A248-L253 HydrophobicContact CB-CD1 3.88Å; A248-L253 HydrophobicContact CB-CG 4.18Å; L253-F255 HydrophobicContact CB-CD2 4.26Å; L253-F255 HydrophobicContact CB-CE2 3.73Å; L253-F255 HydrophobicContact CD1-CE2 4.03Å; L253-F255 HydrophobicContact CD1-CZ 4.34Å; L253-A263 HydrophobicContact CD2-CB 3.59Å
254	V	95.1	Very high	92.4	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	127.3	174.1	-168.6	0	0	0	0	109.1	L243 L245 R260 I261 N262 F264 F297	L243-V254 HydrophobicContact CB-CG1 4.45Å; L243-V254 HydrophobicContact CD1-CG1 4.03Å; L245-V254 HydrophobicContact CD2-CB 4.43Å; L245-V254 HydrophobicContact CD2-CG1 4.22Å; L245-V254 HydrophobicContact CD2-CG2 3.89Å; V254-R260 CarbonylContact O-C 3.56Å; V254-I261 HydrophobicContact CB-CG1 4.09Å; V254-I261 HydrophobicContact CG1-CD1 3.89Å; V254-I261 HydrophobicContact CG1-CG1 3.82Å; V254-I261 WeakPolarHBondContact O-CG1 3.38Å; V254-I261 PolarHBondContact O-N 3.06Å; V254-N262 HydrophobicContact CB-CB 3.98Å; V254-N262 HydrophobicContact CG2-CB 4.07Å; V254-N262 PolarHBondContact N-O 3.04Å; V254-N262 PolarHBondContact O-N 3.37Å; V254-F264 HydrophobicContact CG2-CD2 4.18Å; V254-F264 HydrophobicContact CG2-CE2 3.46Å; V254-F264 VanDerWaalsContact CG2-CE2 3.46Å; V254-F264 HydrophobicContact CG2-CZ 4.18Å; V254-F297 HydrophobicContact CG2-CE1 4.46Å; V254-F297 HydrophobicContact CG2-CZ 4.18Å
255	F	93.7	Very high	92.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	144.2	176.9	-69.6	-103.8	0	0	0	110.3	F227 I230 L232 L243 N244 A246 L253 T259 R260	F227-F255 HydrophobicContact CE1-CE1 4.46Å; F227-F255 HydrophobicContact CE2-CE1 4Å; F227-F255 HydrophobicContact CZ-CD1 4.04Å; F227-F255 AromaticContact CZ-CE1 3.83Å; F227-F255 HydrophobicContact CZ-CE1 3.83Å; I230-F255 HydrophobicContact CG1-CZ 4.38Å; I230-F255 HydrophobicContact CG2-CE2 4.12Å; I230-F255 HydrophobicContact CG2-CZ 4.12Å; L232-F255 HydrophobicContact CD2-CB 4.24Å; L232-F255 HydrophobicContact CD2-CD2 3.79Å; L232-F255 HydrophobicContact CD2-CE2 4.22Å; L232-F255 HydrophobicContact CD2-CG 3.96Å; L243-F255 WeakPolarHBondContact CA-O 3.47Å; N244-F255 HydrophobicContact CB-CB 4.2Å; N244-F255 PolarHBondContact N-O 3.24Å; N244-F255 PolarHBondContact O-N 2.68Å; A246-F255 HydrophobicContact CB-CD2 4.32Å; A246-F255 HydrophobicContact CB-CE2 4Å; L253-F255 HydrophobicContact CB-CD2 4.26Å; L253-F255 HydrophobicContact CB-CE2 3.73Å; L253-F255 HydrophobicContact CD1-CE2 4.03Å; L253-F255 HydrophobicContact CD1-CZ 4.34Å; F255-T259 CarbonylContact C-O 3.6Å; F255-T259 WeakPolarHBondContact CA-O 3.29Å; F255-R260 HydrophobicContact CD1-CB 3.98Å; F255-R260 HydrophobicContact CE1-CB 3.75Å; F255-R260 HydrophobicContact CZ-CB 4.1Å; F255-R260 HydrophobicContact CZ-CG 4.4Å
256	Q	90.7	Very high	92.2	Very high	99 Å²	99	46.4 Å²	46.4	46%	0.463	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	120.9	166.4	-171.8	173.3	8.9	0	0	107.6	L243 H258 T259 I261	L243-Q256 HydrophobicContact CD2-CB 3.88Å; L243-Q256 HydrophobicContact CD2-CG 4.05Å; Q256-H258 PolarHBondContact O-N 3.44Å; Q256-T259 PolarHBondContact N-O 3.1Å; Q256-T259 PolarHBondContact O-N 3.31Å; Q256-I261 HydrophobicContact CB-CD1 4.23Å; Q256-I261 HydrophobicContact CB-CG1 4.45Å; Q256-I261 HydrophobicContact CB-CG2 3.72Å
257	T	83.1	Confident	91.8	Very high	101 Å²	101	49.3 Å²	49.3	62%	0.62	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	-105.9	-162.8	-52.7	0	0	0	0	109.9	N244	N244-T257 PolarHBondContact ND2-O 3.43Å
258	H	80.4	Confident	91.4	Very high	102 Å²	102	54 Å²	54	47%	0.472	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	1.9	175.9	-62.9	119.1	0	0	0	113.6	F227 Q256	F227-H258 HydrophobicContact CE2-CB 4.29Å; F227-H258 WeakPolarHBondContact CE2-O 3.12Å; F227-H258 HydrophobicContact CZ-CB 3.82Å; F227-H258 AromaticContact CZ-CD2 3.99Å; F227-H258 VanDerWaalsContact CZ-O 3.24Å; F227-H258 WeakPolarHBondContact CZ-O 3.01Å; Q256-H258 PolarHBondContact O-N 3.44Å
259	T	84.6	Confident	91.3	Very high	100 Å²	100	54.2 Å²	54.2	61%	0.613	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	130	179.7	-51.2	0	0	0	0	110.4	F255 Q256 I261	F255-T259 CarbonylContact C-O 3.6Å; F255-T259 WeakPolarHBondContact CA-O 3.29Å; Q256-T259 PolarHBondContact N-O 3.1Å; Q256-T259 PolarHBondContact O-N 3.31Å; T259-I261 PolarHBondContact O-N 3.48Å
260	R	90.4	Very high	91.2	Very high	112 Å²	112	59.1 Å²	59.1	42%	0.423	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	110.9	175	-176.7	-177.2	62.4	-129.2	-14.6	110.1	D226 V254 F255	D226-R260 IonicContact OD1-CZ 2.72Å; D226-R260 VanDerWaalsContact OD1-CZ 3.23Å; D226-R260 IonicContact OD1-NH1 2.68Å; D226-R260 PolarHBondContact OD1-NH1 2.97Å; D226-R260 IonicContact OD1-NH2 3Å; D226-R260 PolarHBondContact OD1-NH2 3.36Å; V254-R260 CarbonylContact O-C 3.56Å; F255-R260 HydrophobicContact CD1-CB 3.98Å; F255-R260 HydrophobicContact CE1-CB 3.75Å; F255-R260 HydrophobicContact CZ-CB 4.1Å; F255-R260 HydrophobicContact CZ-CG 4.4Å
261	I	91.3	Very high	91.1	Very high	82 Å²	82	62.6 Å²	62.6	42%	0.421	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-22.4	-179.3	62.2	160.3	0	0	0	113.9	L243 V254 Q256 T259	L243-I261 HydrophobicContact CD2-CD1 3.71Å; V254-I261 HydrophobicContact CB-CG1 4.09Å; V254-I261 HydrophobicContact CG1-CD1 3.89Å; V254-I261 HydrophobicContact CG1-CG1 3.82Å; V254-I261 WeakPolarHBondContact O-CG1 3.38Å; V254-I261 PolarHBondContact O-N 3.06Å; Q256-I261 HydrophobicContact CB-CD1 4.23Å; Q256-I261 HydrophobicContact CB-CG1 4.45Å; Q256-I261 HydrophobicContact CB-CG2 3.72Å; T259-I261 PolarHBondContact O-N 3.48Å
262	N	91.1	Very high	91.1	Very high	80 Å²	80	63.9 Å²	63.9	43%	0.428	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	160.6	-179.9	-149.9	-37	0	0	0	112.4	V254 F264	V254-N262 HydrophobicContact CB-CB 3.98Å; V254-N262 HydrophobicContact CG2-CB 4.07Å; V254-N262 PolarHBondContact N-O 3.04Å; V254-N262 PolarHBondContact O-N 3.37Å; N262-F264 HydrophobicContact CB-CZ 4.28Å
263	A	92.9	Very high	90.9	Very high	53 Å²	53	65.4 Å²	65.4	44%	0.438	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	112.8	178.4	0	0	0	0	0	112.1	L253 N265	L253-A263 HydrophobicContact CD2-CB 3.59Å; A263-N265 PolarHBondContact O-N 3.31Å
264	F	93.9	Very high	90.9	Very high	23 Å²	23	67 Å²	67	10%	0.101	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	95.4	177.1	-52.1	-59.8	0	0	0	110.3	G251 V252 V254 N262 I269 I281 L295 F297	G251-F264 CarbonylContact C-O 3.47Å; G251-F264 WeakPolarHBondContact CA-O 3.24Å; V252-F264 PolarHBondContact N-O 2.98Å; V252-F264 PolarHBondContact O-N 2.98Å; V254-F264 HydrophobicContact CG2-CD2 4.18Å; V254-F264 HydrophobicContact CG2-CE2 3.46Å; V254-F264 VanDerWaalsContact CG2-CE2 3.46Å; V254-F264 HydrophobicContact CG2-CZ 4.18Å; N262-F264 HydrophobicContact CB-CZ 4.28Å; F264-I269 HydrophobicContact CB-CD1 4.06Å; F264-I269 HydrophobicContact CB-CG1 4.22Å; F264-I269 WeakPolarHBondContact O-CD1 3.34Å; F264-I281 HydrophobicContact CD2-CD1 3.6Å; F264-I281 HydrophobicContact CE2-CD1 4.14Å; F264-I281 HydrophobicContact CG-CD1 4.35Å; F264-L295 HydrophobicContact CD1-CD1 3.91Å; F264-L295 HydrophobicContact CD2-CD1 4.33Å; F264-L295 HydrophobicContact CE1-CD1 3.33Å; F264-L295 HydrophobicContact CE2-CD1 3.78Å; F264-L295 HydrophobicContact CG-CD1 4.39Å; F264-L295 HydrophobicContact CZ-CD1 3.27Å; F264-F297 HydrophobicContact CE2-CE2 4.08Å; F264-F297 AromaticContact CE2-CZ 3.85Å; F264-F297 HydrophobicContact CE2-CZ 3.85Å; F264-F297 HydrophobicContact CZ-CZ 4.32Å
265	N	93	Very high	90.7	Very high	70 Å²	70	74.1 Å²	74.1	37%	0.374	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	141.6	179.9	-169	-62	0	0	0	111.9	T250 A263 S267 K268 I269	T250-N265 VanDerWaalsContact O-CA 3.31Å; T250-N265 WeakPolarHBondContact O-CA 3.38Å; A263-N265 PolarHBondContact O-N 3.31Å; N265-S267 PolarHBondContact O-N 3.05Å; N265-S267 PolarHBondContact OD1-N 3.47Å; N265-S267 PolarHBondContact OD1-OG 2.8Å; N265-K268 PolarHBondContact O-N 3.44Å; N265-I269 PolarHBondContact O-N 2.92Å
266	W	94.5	Very high	90.6	Very high	5 Å²	5	84.1 Å²	84.1	2%	0.019	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-30	176.3	-63.2	126.7	0	0	0	114	V247 A248 H249 T250 G251 V252 I269 L272 C312 H316 R320	V247-W266 HydrophobicContact CG1-CH2 3.78Å; V247-W266 HydrophobicContact CG1-CZ2 3.66Å; A248-W266 WeakPolarHBondContact O-CZ2 3.2Å; A248-W266 PolarHBondContact O-NE1 2.92Å; A248-W266 VanDerWaalsContact O-NE1 3.14Å; H249-W266 PolarHBondContact O-NE1 3.4Å; H249-W266 VanDerWaalsContact O-NE1 3.13Å; T250-W266 VanDerWaalsContact O-CD1 3.23Å; T250-W266 PolarHBondContact O-N 2.86Å; G251-W266 VanDerWaalsContact CA-CE2 3.43Å; G251-W266 VanDerWaalsContact N-NE1 3.19Å; V252-W266 HydrophobicContact CG2-CH2 3.83Å; V252-W266 HydrophobicContact CG2-CZ3 3.89Å; W266-I269 HydrophobicContact CE3-CD1 3.85Å; W266-I269 HydrophobicContact CZ3-CD1 3.98Å; W266-L272 HydrophobicContact CZ3-CD1 4.06Å; W266-C312 HydrophobicContact CH2-CB 3.97Å; W266-C312 HydrophobicContact CZ3-CB 4.33Å; W266-H316 HydrophobicContact CD2-CB 4.25Å; W266-H316 HydrophobicContact CE3-CB 4.13Å; W266-H316 AromaticContact CE3-CD2 3.88Å; W266-H316 HydrophobicContact CZ3-CB 4.32Å; W266-R320 HydrophobicContact CB-CG 3.91Å; W266-R320 HydrophobicContact CG-CG 3.86Å
267	S	89.1	Confident	90.9	Very high	60 Å²	60	84.4 Å²	84.4	42%	0.42	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-41.1	175.4	64.9	0	0	0	0	112.9	N265 R284	N265-S267 PolarHBondContact O-N 3.05Å; N265-S267 PolarHBondContact OD1-N 3.47Å; N265-S267 PolarHBondContact OD1-OG 2.8Å; S267-R284 WeakPolarHBondContact O-CD 3.49Å; S267-R284 PolarHBondContact O-NE 2.85Å
268	K	88.8	Confident	91.4	Very high	108 Å²	108	85.4 Å²	85.4	47%	0.47	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-20.4	-179.5	-69.2	-159.7	170.5	-129.7	0	113.3	N265 R270 L283 R284 D286	N265-K268 PolarHBondContact O-N 3.44Å; K268-R270 PolarHBondContact O-N 2.99Å; K268-L283 CarbonylContact O-C 3.53Å; K268-L283 WeakPolarHBondContact O-CA 3.41Å; K268-R284 PolarHBondContact O-N 3.31Å; K268-D286 IonicContact NZ-OD2 3.75Å; K268-D286 PolarHBondContact NZ-OD2 3.22Å
269	I	92.1	Very high	92.2	Very high	15 Å²	15	80.5 Å²	80.5	8%	0.077	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	124.2	177.8	-64	170.6	0	0	0	109.9	V252 F264 N265 W266 L272 I281	V252-I269 HydrophobicContact CG2-CD1 4.11Å; F264-I269 HydrophobicContact CB-CD1 4.06Å; F264-I269 HydrophobicContact CB-CG1 4.22Å; F264-I269 WeakPolarHBondContact O-CD1 3.34Å; N265-I269 PolarHBondContact O-N 2.92Å; W266-I269 HydrophobicContact CE3-CD1 3.85Å; W266-I269 HydrophobicContact CZ3-CD1 3.98Å; I269-L272 HydrophobicContact CD1-CD2 4.39Å; I269-L272 HydrophobicContact CG2-CD2 3.78Å; I269-L272 HydrophobicContact CG2-CG 3.91Å; I269-I281 HydrophobicContact CD1-CG2 4.26Å; I269-I281 HydrophobicContact CG1-CG2 3.88Å; I269-I281 HydrophobicContact CG2-CG2 4.33Å
270	R	89.2	Confident	92.8	Very high	162 Å²	162	77.2 Å²	77.2	61%	0.611	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	-39.1	173.5	-175.5	179.6	-179.2	-174.4	3.9	112	K268 K282 L283 R284	K268-R270 PolarHBondContact O-N 2.99Å; R270-K282 PolarHBondContact N-O 3.07Å; R270-L283 VanDerWaalsContact CB-C 3.47Å; R270-L283 WeakPolarHBondContact CB-O 3.49Å; R270-R284 HydrophobicContact CB-CG 3.9Å
271	K	91.8	Very high	93	Very high	130 Å²	130	71.9 Å²	71.9	57%	0.565	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-161.1	133.5	-179.4	-176.8	173.3	-178.8	173.9	0	112.4	K282	K271-K282 HydrophobicContact CB-CB 4.15Å; K271-K282 PolarHBondContact N-O 3.11Å; K271-K282 VanDerWaalsContact N-O 3.14Å; K271-K282 PolarHBondContact O-N 2.89Å
272	L	94.3	Very high	93	Very high	27 Å²	27	71.9 Å²	71.9	14%	0.141	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	137.8	166.7	-62.7	-176.6	0	0	0	111.3	W266 I269 F279 I281 W309 C312	W266-L272 HydrophobicContact CZ3-CD1 4.06Å; I269-L272 HydrophobicContact CD1-CD2 4.39Å; I269-L272 HydrophobicContact CG2-CD2 3.78Å; I269-L272 HydrophobicContact CG2-CG 3.91Å; L272-F279 HydrophobicContact CB-CZ 4.48Å; L272-F279 HydrophobicContact CD1-CZ 4.23Å; L272-F279 HydrophobicContact CD2-CE1 4.34Å; L272-F279 HydrophobicContact CD2-CZ 3.94Å; L272-F279 HydrophobicContact CG-CZ 4.46Å; L272-I281 HydrophobicContact CD2-CB 4.1Å; L272-I281 HydrophobicContact CD2-CG1 3.82Å; L272-I281 HydrophobicContact CD2-CG2 3.9Å; L272-W309 PolarHBondContact O-NE1 2.7Å; L272-W309 VanDerWaalsContact O-NE1 3.11Å; L272-C312 HydrophobicContact CD1-CB 3.27Å
273	S	93.6	Very high	92.9	Very high	32 Å²	32	70.1 Å²	70.1	22%	0.224	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	174.4	176.9	56.8	0	0	0	0	111.6	L280	S273-L280 PolarHBondContact N-O 3.32Å; S273-L280 PolarHBondContact O-N 2.84Å
274	F	94.6	Very high	92.5	Very high	43 Å²	43	74.4 Å²	74.4	19%	0.189	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	152.2	172.6	67	-82.1	0	0	0	111.6	R278 F279 R302 C305 K306 W309	F274-R278 CarbonylContact C-O 3.58Å; F274-R278 WeakPolarHBondContact CA-O 3.39Å; F274-R278 WeakPolarHBondContact CB-O 3.36Å; F274-F279 HydrophobicContact CB-CD2 4.45Å; F274-R302 HydrophobicContact CE2-CG 4.29Å; F274-C305 HydrophobicContact CB-CB 3.8Å; F274-C305 HydrophobicContact CD2-CB 3.83Å; F274-C305 HydrophobicContact CG-CB 3.92Å; F274-K306 HydrophobicContact CE1-CB 4.21Å; F274-K306 HydrophobicContact CE1-CG 4.27Å; F274-K306 HydrophobicContact CE2-CB 3.94Å; F274-K306 HydrophobicContact CE2-CG 4.49Å; F274-K306 HydrophobicContact CZ-CB 3.62Å; F274-K306 HydrophobicContact CZ-CD 4.04Å; F274-K306 HydrophobicContact CZ-CG 3.75Å; F274-W309 HydrophobicContact CD1-CB 3.82Å; F274-W309 HydrophobicContact CD1-CD2 4.06Å; F274-W309 HydrophobicContact CD1-CE3 4.45Å; F274-W309 AromaticContact CD1-CG 3.76Å; F274-W309 HydrophobicContact CD1-CG 3.76Å; F274-W309 HydrophobicContact CE1-CB 4.19Å; F274-W309 AromaticContact CE1-CD2 3.87Å; F274-W309 HydrophobicContact CE1-CD2 3.87Å; F274-W309 AromaticContact CE1-CE3 3.82Å; F274-W309 HydrophobicContact CE1-CE3 3.82Å; F274-W309 HydrophobicContact CE1-CG 4.04Å; F274-W309 HydrophobicContact CE1-CZ3 4.49Å
275	K	92.1	Very high	91.4	Very high	153 Å²	153	77.2 Å²	77.2	67%	0.665	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.8	117.2	179.3	-174.1	178.9	-179.9	-177.9	0	109.4	K277 R278 L280	K275-K277 PolarHBondContact O-N 2.61Å; K275-R278 PolarHBondContact N-O 2.85Å; K275-R278 WeakPolarHBondContact O-CB 3.39Å; K275-R278 PolarHBondContact O-N 2.64Å; K275-L280 HydrophobicContact CB-CD1 4.35Å
276	R	92.1	Very high	89.8	Confident	210 Å²	210	77.7 Å²	77.7	79%	0.792	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	-122.6	-168.5	-60.2	176.4	175.2	160.2	-4.3	109.5	R302	R276-R302 VanDerWaalsContact O-CA 3.28Å; R276-R302 WeakPolarHBondContact O-CA 3.42Å; R276-R302 WeakPolarHBondContact O-CB 3.46Å
277	K	95.4	Very high	87.6	Confident	105 Å²	105	86.1 Å²	86.1	46%	0.457	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	16	177.3	63.2	161.2	174.1	172.8	0	114.8	K275 L298 M299 C305	K275-K277 PolarHBondContact O-N 2.61Å; K277-L298 HydrophobicContact CD-CD1 3.93Å; K277-L298 HydrophobicContact CD-CG 4.17Å; K277-L298 HydrophobicContact CG-CD1 3.81Å; K277-L298 HydrophobicContact CG-CG 4.49Å; K277-M299 PolarHBondContact O-N 2.93Å; K277-C305 PolarHBondContact O-SG 2.91Å; K277-C305 VanDerWaalsContact O-SG 3.39Å
278	R	95.4	Very high	85.5	Confident	121 Å²	121	91 Å²	91	46%	0.457	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	118.4	178.2	-65.2	163.4	164.9	-133.9	0	109.6	F274 K275 E296 F297 L298	F274-R278 CarbonylContact C-O 3.58Å; F274-R278 WeakPolarHBondContact CA-O 3.39Å; F274-R278 WeakPolarHBondContact CB-O 3.36Å; K275-R278 PolarHBondContact N-O 2.85Å; K275-R278 WeakPolarHBondContact O-CB 3.39Å; K275-R278 PolarHBondContact O-N 2.64Å; R278-E296 HydrophobicContact CB-CG 3.93Å; R278-E296 VanDerWaalsContact CD-CD 3.43Å; R278-E296 WeakPolarHBondContact CD-OE1 3.25Å; R278-E296 WeakPolarHBondContact CD-OE2 3.45Å; R278-E296 HydrophobicContact CG-CG 4.12Å; R278-E296 VanDerWaalsContact CG-OE1 3.31Å; R278-E296 WeakPolarHBondContact CG-OE1 3.48Å; R278-E296 IonicContact CZ-OE1 2.85Å; R278-E296 IonicContact CZ-OE2 2.76Å; R278-E296 IonicContact NE-OE1 2.62Å; R278-E296 PolarHBondContact NE-OE1 3.13Å; R278-E296 IonicContact NE-OE2 3.55Å; R278-E296 IonicContact NH1-OE1 2.79Å; R278-E296 PolarHBondContact NH1-OE1 2.9Å; R278-E296 IonicContact NH1-OE2 2.62Å; R278-E296 PolarHBondContact NH1-OE2 2.83Å; R278-E296 IonicContact NH2-OE1 3.36Å; R278-F297 CarbonylContact C-O 3.47Å; R278-F297 WeakPolarHBondContact CA-O 3.39Å; R278-L298 HydrophobicContact CG-CD1 3.68Å
279	F	97.3	Very high	83.3	Confident	0 Å²	0	89.1 Å²	89.1	0%	0	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	140.5	167.6	-177.2	-106.2	0	0	0	109.2	L245 L272 F274 I281 E296 F297 M299 F308 W309	L245-F279 HydrophobicContact CD1-CD1 4.13Å; L272-F279 HydrophobicContact CB-CZ 4.48Å; L272-F279 HydrophobicContact CD1-CZ 4.23Å; L272-F279 HydrophobicContact CD2-CE1 4.34Å; L272-F279 HydrophobicContact CD2-CZ 3.94Å; L272-F279 HydrophobicContact CG-CZ 4.46Å; F274-F279 HydrophobicContact CB-CD2 4.45Å; F279-I281 HydrophobicContact CD1-CG1 4.08Å; F279-I281 HydrophobicContact CE1-CD1 3.98Å; F279-I281 HydrophobicContact CE1-CG1 3.57Å; F279-I281 HydrophobicContact CZ-CG1 4.46Å; F279-E296 WeakPolarHBondContact O-CA 3.22Å; F279-F297 HydrophobicContact CD1-CD2 4.46Å; F279-F297 PolarHBondContact N-O 2.82Å; F279-F297 PolarHBondContact O-N 2.84Å; F279-M299 HydrophobicContact CB-CG 4.46Å; F279-M299 HydrophobicContact CB-SD 4.25Å; F279-F308 HydrophobicContact CD1-CD1 4.09Å; F279-F308 HydrophobicContact CD1-CE1 4.07Å; F279-F308 HydrophobicContact CD2-CD1 4.05Å; F279-F308 AromaticContact CE1-CD1 3.86Å; F279-F308 HydrophobicContact CE1-CD1 3.86Å; F279-F308 AromaticContact CE1-CE1 3.6Å; F279-F308 HydrophobicContact CE1-CE1 3.6Å; F279-F308 AromaticContact CE2-CD1 3.82Å; F279-F308 HydrophobicContact CE2-CD1 3.82Å; F279-F308 HydrophobicContact CE2-CE1 4.33Å; F279-F308 HydrophobicContact CG-CD1 4.18Å; F279-F308 AromaticContact CZ-CD1 3.72Å; F279-F308 HydrophobicContact CZ-CD1 3.72Å; F279-F308 AromaticContact CZ-CE1 3.75Å; F279-F308 HydrophobicContact CZ-CE1 3.75Å; F279-W309 HydrophobicContact CD2-CB 4.34Å; F279-W309 HydrophobicContact CE2-CB 3.9Å; F279-W309 HydrophobicContact CE2-CG 4.49Å
280	L	95.2	Very high	81	Confident	30 Å²	30	93.7 Å²	93.7	16%	0.157	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	116.1	-168.4	-64	170.9	0	0	0	110.5	S273 K275 T294 L295 E296	S273-L280 PolarHBondContact N-O 3.32Å; S273-L280 PolarHBondContact O-N 2.84Å; K275-L280 HydrophobicContact CB-CD1 4.35Å; L280-T294 HydrophobicContact CB-CG2 4.49Å; L280-T294 HydrophobicContact CD2-CG2 4.23Å; L280-L295 WeakPolarHBondContact CA-O 3.39Å; L280-E296 HydrophobicContact CD2-CB 3.75Å; L280-E296 HydrophobicContact CD2-CG 3.68Å
281	I	94.8	Very high	79	Confident	0 Å²	0	95.7 Å²	95.7	0%	0	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	109.3	173.7	-50.8	-176.4	0	0	0	107.6	V252 F264 I269 L272 F279 L283 T294 L295 F297	V252-I281 HydrophobicContact CB-CD1 4.23Å; V252-I281 HydrophobicContact CG1-CD1 3.97Å; F264-I281 HydrophobicContact CD2-CD1 3.6Å; F264-I281 HydrophobicContact CE2-CD1 4.14Å; F264-I281 HydrophobicContact CG-CD1 4.35Å; I269-I281 HydrophobicContact CD1-CG2 4.26Å; I269-I281 HydrophobicContact CG1-CG2 3.88Å; I269-I281 HydrophobicContact CG2-CG2 4.33Å; L272-I281 HydrophobicContact CD2-CB 4.1Å; L272-I281 HydrophobicContact CD2-CG1 3.82Å; L272-I281 HydrophobicContact CD2-CG2 3.9Å; F279-I281 HydrophobicContact CD1-CG1 4.08Å; F279-I281 HydrophobicContact CE1-CD1 3.98Å; F279-I281 HydrophobicContact CE1-CG1 3.57Å; F279-I281 HydrophobicContact CZ-CG1 4.46Å; I281-L283 HydrophobicContact CG2-CD2 4.08Å; I281-T294 WeakPolarHBondContact O-CA 3.22Å; I281-L295 HydrophobicContact CB-CB 4.33Å; I281-L295 PolarHBondContact N-O 2.88Å; I281-L295 PolarHBondContact O-N 2.74Å; I281-F297 HydrophobicContact CD1-CD2 4.35Å; I281-F297 HydrophobicContact CD1-CE2 3.88Å; I281-F297 HydrophobicContact CG1-CE2 4.36Å
282	K	92.3	Very high	77.2	Confident	82 Å²	82	95.3 Å²	95.3	36%	0.357	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	125.5	165.9	-63.5	-145.3	167.2	-115.5	0	109.6	R270 K271 D293 T294	R270-K282 PolarHBondContact N-O 3.07Å; K271-K282 HydrophobicContact CB-CB 4.15Å; K271-K282 PolarHBondContact N-O 3.11Å; K271-K282 VanDerWaalsContact N-O 3.14Å; K271-K282 PolarHBondContact O-N 2.89Å; K282-D293 VanDerWaalsContact CA-O 3.28Å; K282-D293 WeakPolarHBondContact CA-O 3.49Å; K282-T294 WeakPolarHBondContact CD-OG1 3.26Å; K282-T294 VanDerWaalsContact CE-OG1 3.28Å; K282-T294 WeakPolarHBondContact CE-OG1 3.26Å; K282-T294 HydrophobicContact CG-CG2 4.01Å; K282-T294 WeakPolarHBondContact CG-OG1 3.29Å; K282-T294 PolarHBondContact NZ-OG1 3.04Å
283	L	89.3	Confident	76.3	Confident	44 Å²	44	97.5 Å²	97.5	23%	0.23	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	167.8	172.7	-59.2	-180	0	0	0	110.4	K268 R270 I281 D293 L295	K268-L283 CarbonylContact O-C 3.53Å; K268-L283 WeakPolarHBondContact O-CA 3.41Å; R270-L283 VanDerWaalsContact CB-C 3.47Å; R270-L283 WeakPolarHBondContact CB-O 3.49Å; I281-L283 HydrophobicContact CG2-CD2 4.08Å; L283-D293 PolarHBondContact N-O 2.61Å; L283-L295 HydrophobicContact CD1-CD1 4.41Å
284	R	83.3	Confident	76	Confident	142 Å²	142	97.2 Å²	97.2	54%	0.536	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-76.8	143.7	161.9	-62.1	-177.4	-170.3	-139.7	2.6	108	S267 K268 R270 D286	S267-R284 WeakPolarHBondContact O-CD 3.49Å; S267-R284 PolarHBondContact O-NE 2.85Å; K268-R284 PolarHBondContact O-N 3.31Å; R270-R284 HydrophobicContact CB-CG 3.9Å; R284-D286 PolarHBondContact O-N 3.14Å
285	P	71.2	Confident	75.9	Confident	82 Å²	82	97.4 Å²	97.4	53%	0.532	47%	0.47	S	S	.	.			trans	-67.4	115.7	170.9	28.3	-32.4	0	0	0	108.7
286	D	59.5	Low	76	Confident	80 Å²	80	91.8 Å²	91.8	43%	0.428	45%	0.446	S	S	.	.			trans	-87.1	141.3	165.9	-73	-21.6	0	0	0	107	K268 R284 N288 S289	K268-D286 IonicContact NZ-OD2 3.75Å; K268-D286 PolarHBondContact NZ-OD2 3.22Å; R284-D286 PolarHBondContact O-N 3.14Å; D286-N288 PolarHBondContact O-N 2.86Å; D286-S289 PolarHBondContact O-N 3.19Å; D286-S289 PolarHBondContact O-OG 2.81Å
287	L	47.7	Very low	76.2	Confident	183 Å²	183	82.6 Å²	82.6	96%	0.958	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-13.8	-169.9	-72.8	166	0	0	0	115.3
288	N	45.1	Very low	76.2	Confident	161 Å²	161	79.9 Å²	79.9	86%	0.861	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	9.7	-171.8	-62	7.1	0	0	0	113.8	D286	D286-N288 PolarHBondContact O-N 2.86Å
289	S	43.7	Very low	76.2	Confident	69 Å²	69	74.4 Å²	74.4	48%	0.483	38%	0.381	S	S	.	.			trans	-113.6	110	-174.3	62.8	0	0	0	0	114	D286	D286-S289 PolarHBondContact O-N 3.19Å; D286-S289 PolarHBondContact O-OG 2.81Å
290	S	44.2	Very low	76	Confident	112 Å²	112	78.6 Å²	78.6	78%	0.783	42%	0.416	S	S	*	.			trans	-82.4	-8.4	173.7	52.8	0	0	0	0	114.6
291	Y	45.6	Very low	75.9	Confident	204 Å²	204	79 Å²	79	80%	0.8	42%	0.422	S	S	*	.	S	Bend	trans	-105	109.3	-174.7	-83.7	-98	0	0	0	113.8
292	Q	54.9	Low	75.9	Confident	121 Å²	121	86 Å²	86	57%	0.565	45%	0.448	S	S	*	.			trans	37.5	93.8	159.8	-57.5	-162.5	29.4	0	0	118.9	T294	Q292-T294 PolarHBondContact O-N 2.86Å
293	D	75.3	Confident	75.8	Confident	73 Å²	73	83.5 Å²	83.5	39%	0.39	44%	0.439	S	S	.	.	S	Bend	trans	-35.8	-14.8	160.7	-88.1	35.7	0	0	0	118.8	K282 L283	K282-D293 VanDerWaalsContact CA-O 3.28Å; K282-D293 WeakPolarHBondContact CA-O 3.49Å; L283-D293 PolarHBondContact N-O 2.61Å
294	T	88.1	Confident	76	Confident	26 Å²	26	82.8 Å²	82.8	16%	0.16	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	105.9	-165.7	-56	0	0	0	0	112.9	R238 L280 I281 K282 Q292	R238-T294 PolarHBondContact NH2-O 3.31Å; L280-T294 HydrophobicContact CB-CG2 4.49Å; L280-T294 HydrophobicContact CD2-CG2 4.23Å; I281-T294 WeakPolarHBondContact O-CA 3.22Å; K282-T294 WeakPolarHBondContact CD-OG1 3.26Å; K282-T294 VanDerWaalsContact CE-OG1 3.28Å; K282-T294 WeakPolarHBondContact CE-OG1 3.26Å; K282-T294 HydrophobicContact CG-CG2 4.01Å; K282-T294 WeakPolarHBondContact CG-OG1 3.29Å; K282-T294 PolarHBondContact NZ-OG1 3.04Å; Q292-T294 PolarHBondContact O-N 2.86Å
295	L	91	Very high	76.5	Confident	48 Å²	48	76 Å²	76	25%	0.251	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	144.9	171.3	-51.2	176.5	0	0	0	109.9	F264 L280 I281 L283 F297	F264-L295 HydrophobicContact CD1-CD1 3.91Å; F264-L295 HydrophobicContact CD2-CD1 4.33Å; F264-L295 HydrophobicContact CE1-CD1 3.33Å; F264-L295 HydrophobicContact CE2-CD1 3.78Å; F264-L295 HydrophobicContact CG-CD1 4.39Å; F264-L295 HydrophobicContact CZ-CD1 3.27Å; L280-L295 WeakPolarHBondContact CA-O 3.39Å; I281-L295 HydrophobicContact CB-CB 4.33Å; I281-L295 PolarHBondContact N-O 2.88Å; I281-L295 PolarHBondContact O-N 2.74Å; L283-L295 HydrophobicContact CD1-CD1 4.41Å; L295-F297 HydrophobicContact CB-CE2 4.01Å
296	E	94.3	Very high	77.5	Confident	35 Å²	35	76 Å²	76	16%	0.164	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	132.6	177.3	-176.7	176.9	115.1	0	0	110.2	R238 R278 F279 L280	R238-E296 HydrophobicContact CG-CB 4.27Å; R278-E296 HydrophobicContact CB-CG 3.93Å; R278-E296 VanDerWaalsContact CD-CD 3.43Å; R278-E296 WeakPolarHBondContact CD-OE1 3.25Å; R278-E296 WeakPolarHBondContact CD-OE2 3.45Å; R278-E296 HydrophobicContact CG-CG 4.12Å; R278-E296 VanDerWaalsContact CG-OE1 3.31Å; R278-E296 WeakPolarHBondContact CG-OE1 3.48Å; R278-E296 IonicContact CZ-OE1 2.85Å; R278-E296 IonicContact CZ-OE2 2.76Å; R278-E296 IonicContact NE-OE1 2.62Å; R278-E296 PolarHBondContact NE-OE1 3.13Å; R278-E296 IonicContact NE-OE2 3.55Å; R278-E296 IonicContact NH1-OE1 2.79Å; R278-E296 PolarHBondContact NH1-OE1 2.9Å; R278-E296 IonicContact NH1-OE2 2.62Å; R278-E296 PolarHBondContact NH1-OE2 2.83Å; R278-E296 IonicContact NH2-OE1 3.36Å; F279-E296 WeakPolarHBondContact O-CA 3.22Å; L280-E296 HydrophobicContact CD2-CB 3.75Å; L280-E296 HydrophobicContact CD2-CG 3.68Å
297	F	96.1	Very high	79.1	Confident	16 Å²	16	73.5 Å²	73.5	7%	0.07	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	132.3	175.2	-62.5	-81.6	0	0	0	111	K236 L243 L245 V254 F264 R278 F279 I281 L295	K236-F297 CarbonylContact O-C 3.57Å; K236-F297 WeakPolarHBondContact O-CA 3.18Å; L243-F297 HydrophobicContact CD1-CE1 4.37Å; L245-F297 HydrophobicContact CD1-CB 3.85Å; L245-F297 HydrophobicContact CD1-CD2 4.25Å; L245-F297 HydrophobicContact CD1-CG 3.97Å; L245-F297 HydrophobicContact CD2-CD1 4Å; L245-F297 HydrophobicContact CD2-CD2 4.37Å; L245-F297 HydrophobicContact CD2-CE1 4.12Å; L245-F297 HydrophobicContact CD2-CE2 4.49Å; L245-F297 HydrophobicContact CD2-CG 4.13Å; L245-F297 HydrophobicContact CD2-CZ 4.37Å; V254-F297 HydrophobicContact CG2-CE1 4.46Å; V254-F297 HydrophobicContact CG2-CZ 4.18Å; F264-F297 HydrophobicContact CE2-CE2 4.08Å; F264-F297 AromaticContact CE2-CZ 3.85Å; F264-F297 HydrophobicContact CE2-CZ 3.85Å; F264-F297 HydrophobicContact CZ-CZ 4.32Å; R278-F297 CarbonylContact C-O 3.47Å; R278-F297 WeakPolarHBondContact CA-O 3.39Å; F279-F297 HydrophobicContact CD1-CD2 4.46Å; F279-F297 PolarHBondContact N-O 2.82Å; F279-F297 PolarHBondContact O-N 2.84Å; I281-F297 HydrophobicContact CD1-CD2 4.35Å; I281-F297 HydrophobicContact CD1-CE2 3.88Å; I281-F297 HydrophobicContact CG1-CE2 4.36Å; L295-F297 HydrophobicContact CB-CE2 4.01Å
298	L	97	Very high	81.4	Confident	48 Å²	48	64.8 Å²	64.8	25%	0.251	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	107.7	-176.5	-164.2	76.8	0	0	0	111.2	A235 K236 K277 R278	A235-L298 CarbonylContact C-O 3.56Å; A235-L298 WeakPolarHBondContact CA-O 3.11Å; K236-L298 HydrophobicContact CB-CB 4.26Å; K236-L298 PolarHBondContact N-O 2.75Å; K236-L298 PolarHBondContact O-N 3.39Å; K277-L298 HydrophobicContact CD-CD1 3.93Å; K277-L298 HydrophobicContact CD-CG 4.17Å; K277-L298 HydrophobicContact CG-CD1 3.81Å; K277-L298 HydrophobicContact CG-CG 4.49Å; R278-L298 HydrophobicContact CG-CD1 3.68Å
299	M	95.5	Very high	83.8	Confident	6 Å²	6	58.5 Å²	58.5	3%	0.03	31%	0.309	C	S	.	.			trans	-93.3	167.7	178.9	-50	-171.2	86	0	0	111.8	H233 A235 K277 F279 S301 C304 C305 F308	H233-M299 HydrophobicContact CB-CE 3.73Å; A235-M299 HydrophobicContact CB-CG 4.24Å; K277-M299 PolarHBondContact O-N 2.93Å; F279-M299 HydrophobicContact CB-CG 4.46Å; F279-M299 HydrophobicContact CB-SD 4.25Å; M299-S301 VanDerWaalsContact C-N 3.29Å; M299-S301 PolarHBondContact O-N 2.91Å; M299-C304 HydrophobicContact CB-CB 4.18Å; M299-C305 HydrophobicContact SD-CB 4.3Å; M299-F308 HydrophobicContact CE-CB 3.9Å; M299-F308 HydrophobicContact CE-CD1 4.35Å; M299-F308 HydrophobicContact CE-CD2 4.41Å; M299-F308 HydrophobicContact CE-CG 3.97Å; M299-F308 HydrophobicContact SD-CB 3.97Å; M299-F308 HydrophobicContact SD-CD1 4.34Å; M299-F308 HydrophobicContact SD-CG 4.3Å
300	A	92.4	Very high	86.2	Confident	88 Å²	88	56.8 Å²	56.8	73%	0.727	29%	0.293	S	S	*	.	S	Bend	trans	-56.5	-37.3	-178.5	0	0	0	0	0	114
301	S	93.5	Very high	88.6	Confident	40 Å²	40	52.3 Å²	52.3	28%	0.28	26%	0.26	S	S	.	.			trans	-149.4	167.6	177.2	83.8	0	0	0	0	113.8	M299 D303 C304 C305	M299-S301 VanDerWaalsContact C-N 3.29Å; M299-S301 PolarHBondContact O-N 2.91Å; S301-D303 PolarHBondContact O-N 3.41Å; S301-D303 PolarHBondContact OG-N 3.08Å; S301-D303 VanDerWaalsContact OG-N 3.13Å; S301-C304 WeakPolarHBondContact O-CB 3.28Å; S301-C304 PolarHBondContact O-N 3.11Å; S301-C304 PolarHBondContact OG-N 3.43Å; S301-C304 VanDerWaalsContact OG-N 3.09Å; S301-C304 PolarHBondContact OG-SG 3.26Å; S301-C305 PolarHBondContact O-N 2.83Å; S301-C305 VanDerWaalsContact O-N 3.1Å
302	R	93.5	Very high	91	Very high	145 Å²	145	42.6 Å²	42.6	55%	0.547	22%	0.222	S	C	.	.	H	α-helix	trans	-55	-37.3	168.8	-177.6	-157.3	70.7	-169.8	-3.5	112.3	F274 R276 C305 K306	F274-R302 HydrophobicContact CE2-CG 4.29Å; R276-R302 VanDerWaalsContact O-CA 3.28Å; R276-R302 WeakPolarHBondContact O-CA 3.42Å; R276-R302 WeakPolarHBondContact O-CB 3.46Å; R302-C305 PolarHBondContact O-N 3.2Å; R302-K306 WeakPolarHBondContact O-CB 3.1Å; R302-K306 PolarHBondContact O-N 2.89Å
303	D	90.6	Very high	92.9	Very high	31 Å²	31	38.7 Å²	38.7	17%	0.166	21%	0.206	C	C	.	.	H	α-helix	trans	-78.2	-31.3	-175.3	-62.7	-20.9	0	0	0	110.4	K92 S301 K306 V307	K92-D303 IonicContact NZ-OD2 2.82Å; K92-D303 PolarHBondContact NZ-OD2 2.94Å; S301-D303 PolarHBondContact O-N 3.41Å; S301-D303 PolarHBondContact OG-N 3.08Å; S301-D303 VanDerWaalsContact OG-N 3.13Å; D303-K306 PolarHBondContact O-N 3.47Å; D303-V307 WeakPolarHBondContact O-CG2 3.48Å; D303-V307 PolarHBondContact O-N 3.04Å
304	C	92.9	Very high	93.8	Very high	28 Å²	28	36 Å²	36	19%	0.189	19%	0.191	C	C	.	.	H	α-helix	trans	-59.1	-50.1	165.7	-55	0	0	0	0	111.2	M94 M299 S301 K306 V307 F308	M94-C304 HydrophobicContact CE-CB 4.37Å; M299-C304 HydrophobicContact CB-CB 4.18Å; S301-C304 WeakPolarHBondContact O-CB 3.28Å; S301-C304 PolarHBondContact O-N 3.11Å; S301-C304 PolarHBondContact OG-N 3.43Å; S301-C304 VanDerWaalsContact OG-N 3.09Å; S301-C304 PolarHBondContact OG-SG 3.26Å; C304-K306 VanDerWaalsContact C-N 3.26Å; C304-K306 PolarHBondContact O-N 3.21Å; C304-V307 PolarHBondContact O-N 3.32Å; C304-F308 WeakPolarHBondContact O-CB 3.28Å; C304-F308 PolarHBondContact O-N 3.28Å
305	C	94.3	Very high	94.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-57.6	-38.7	175.2	-65.3	0	0	0	0	112.7	F274 K277 M299 S301 R302 W309	F274-C305 HydrophobicContact CB-CB 3.8Å; F274-C305 HydrophobicContact CD2-CB 3.83Å; F274-C305 HydrophobicContact CG-CB 3.92Å; K277-C305 PolarHBondContact O-SG 2.91Å; K277-C305 VanDerWaalsContact O-SG 3.39Å; M299-C305 HydrophobicContact SD-CB 4.3Å; S301-C305 PolarHBondContact O-N 2.83Å; S301-C305 VanDerWaalsContact O-N 3.1Å; R302-C305 PolarHBondContact O-N 3.2Å; C305-W309 WeakPolarHBondContact O-CB 3.33Å; C305-W309 PolarHBondContact O-N 2.9Å
306	K	93.1	Very high	94.3	Very high	81 Å²	81	36.3 Å²	36.3	35%	0.352	19%	0.189	S	C	.	.	H	α-helix	trans	-71.7	-35.7	-179.7	-174.6	166.8	-179.7	157.9	0	113	F274 R302 D303 C304 K310 S338	F274-K306 HydrophobicContact CE1-CB 4.21Å; F274-K306 HydrophobicContact CE1-CG 4.27Å; F274-K306 HydrophobicContact CE2-CB 3.94Å; F274-K306 HydrophobicContact CE2-CG 4.49Å; F274-K306 HydrophobicContact CZ-CB 3.62Å; F274-K306 HydrophobicContact CZ-CD 4.04Å; F274-K306 HydrophobicContact CZ-CG 3.75Å; R302-K306 WeakPolarHBondContact O-CB 3.1Å; R302-K306 PolarHBondContact O-N 2.89Å; D303-K306 PolarHBondContact O-N 3.47Å; C304-K306 VanDerWaalsContact C-N 3.26Å; C304-K306 PolarHBondContact O-N 3.21Å; K306-K310 WeakPolarHBondContact O-CG 3.2Å; K306-K310 PolarHBondContact O-N 2.71Å; K306-K310 VanDerWaalsContact O-N 3.13Å; K306-S338 PolarHBondContact NZ-OG 3.38Å; K306-S338 VanDerWaalsContact NZ-OG 3.09Å
307	V	92.6	Very high	94.2	Very high	28 Å²	28	34.9 Å²	34.9	17%	0.17	18%	0.183	C	C	.	.	H	α-helix	trans	-69.5	-49.6	173.6	170.3	0	0	0	0	110.1	M94 V96 D303 C304 W309 K310 I311	M94-V307 HydrophobicContact CE-CG2 4.16Å; V96-V307 HydrophobicContact CG1-CG1 4.31Å; V96-V307 HydrophobicContact CG1-CG2 3.67Å; D303-V307 WeakPolarHBondContact O-CG2 3.48Å; D303-V307 PolarHBondContact O-N 3.04Å; C304-V307 PolarHBondContact O-N 3.32Å; V307-W309 PolarHBondContact O-N 3.28Å; V307-K310 WeakPolarHBondContact O-CB 3.41Å; V307-K310 PolarHBondContact O-N 3.37Å; V307-K310 VanDerWaalsContact O-N 3.12Å; V307-I311 HydrophobicContact CG1-CD1 3.98Å; V307-I311 WeakPolarHBondContact O-CG1 3.23Å; V307-I311 PolarHBondContact O-N 3.37Å
308	F	95.7	Very high	94.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.9	-45.8	178	-169.3	-109.8	0	0	0	112	H233 L245 V247 V252 F279 M299 C304 K310 I311 C312	H233-F308 HydrophobicContact CB-CD2 3.89Å; H233-F308 HydrophobicContact CB-CE2 4.2Å; H233-F308 AromaticContact CD2-CD2 3.39Å; H233-F308 WeakPolarHBondContact CD2-CD2 3.22Å; H233-F308 AromaticContact CD2-CE2 3.58Å; H233-F308 AromaticContact CG-CD2 3.6Å; H233-F308 AromaticContact NE2-CD2 3.95Å; L245-F308 HydrophobicContact CB-CE1 3.86Å; L245-F308 HydrophobicContact CB-CE2 3.89Å; L245-F308 HydrophobicContact CB-CZ 3.41Å; L245-F308 VanDerWaalsContact CB-CZ 3.41Å; L245-F308 HydrophobicContact CD1-CD1 4.28Å; L245-F308 HydrophobicContact CD1-CE1 3.76Å; L245-F308 HydrophobicContact CD1-CZ 4.21Å; L245-F308 HydrophobicContact CG-CE1 4.46Å; L245-F308 HydrophobicContact CG-CZ 4.44Å; V247-F308 HydrophobicContact CG2-CD2 4.13Å; V247-F308 HydrophobicContact CG2-CE2 3.42Å; V247-F308 VanDerWaalsContact CG2-CE2 3.42Å; V247-F308 HydrophobicContact CG2-CZ 3.69Å; V252-F308 HydrophobicContact CG1-CE1 4.19Å; V252-F308 HydrophobicContact CG1-CZ 4.03Å; F279-F308 HydrophobicContact CD1-CD1 4.09Å; F279-F308 HydrophobicContact CD1-CE1 4.07Å; F279-F308 HydrophobicContact CD2-CD1 4.05Å; F279-F308 AromaticContact CE1-CD1 3.86Å; F279-F308 HydrophobicContact CE1-CD1 3.86Å; F279-F308 AromaticContact CE1-CE1 3.6Å; F279-F308 HydrophobicContact CE1-CE1 3.6Å; F279-F308 AromaticContact CE2-CD1 3.82Å; F279-F308 HydrophobicContact CE2-CD1 3.82Å; F279-F308 HydrophobicContact CE2-CE1 4.33Å; F279-F308 HydrophobicContact CG-CD1 4.18Å; F279-F308 AromaticContact CZ-CD1 3.72Å; F279-F308 HydrophobicContact CZ-CD1 3.72Å; F279-F308 AromaticContact CZ-CE1 3.75Å; F279-F308 HydrophobicContact CZ-CE1 3.75Å; M299-F308 HydrophobicContact CE-CB 3.9Å; M299-F308 HydrophobicContact CE-CD1 4.35Å; M299-F308 HydrophobicContact CE-CD2 4.41Å; M299-F308 HydrophobicContact CE-CG 3.97Å; M299-F308 HydrophobicContact SD-CB 3.97Å; M299-F308 HydrophobicContact SD-CD1 4.34Å; M299-F308 HydrophobicContact SD-CG 4.3Å; C304-F308 WeakPolarHBondContact O-CB 3.28Å; C304-F308 PolarHBondContact O-N 3.28Å; F308-K310 VanDerWaalsContact C-N 3.31Å; F308-K310 PolarHBondContact O-N 3.1Å; F308-I311 PolarHBondContact O-N 3.4Å; F308-I311 VanDerWaalsContact O-N 3.13Å; F308-C312 PolarHBondContact O-N 2.73Å; F308-C312 PolarHBondContact O-SG 3.07Å
309	W	95.8	Very high	94.1	Very high	30 Å²	30	33 Å²	33	11%	0.114	17%	0.173	C	C	.	.	H	α-helix	trans	-60	-36.8	174.8	176.4	80.6	0	0	0	113.4	L272 F274 F279 C305 V307 V313 F340	L272-W309 PolarHBondContact O-NE1 2.7Å; L272-W309 VanDerWaalsContact O-NE1 3.11Å; F274-W309 HydrophobicContact CD1-CB 3.82Å; F274-W309 HydrophobicContact CD1-CD2 4.06Å; F274-W309 HydrophobicContact CD1-CE3 4.45Å; F274-W309 AromaticContact CD1-CG 3.76Å; F274-W309 HydrophobicContact CD1-CG 3.76Å; F274-W309 HydrophobicContact CE1-CB 4.19Å; F274-W309 AromaticContact CE1-CD2 3.87Å; F274-W309 HydrophobicContact CE1-CD2 3.87Å; F274-W309 AromaticContact CE1-CE3 3.82Å; F274-W309 HydrophobicContact CE1-CE3 3.82Å; F274-W309 HydrophobicContact CE1-CG 4.04Å; F274-W309 HydrophobicContact CE1-CZ3 4.49Å; F279-W309 HydrophobicContact CD2-CB 4.34Å; F279-W309 HydrophobicContact CE2-CB 3.9Å; F279-W309 HydrophobicContact CE2-CG 4.49Å; C305-W309 WeakPolarHBondContact O-CB 3.33Å; C305-W309 PolarHBondContact O-N 2.9Å; V307-W309 PolarHBondContact O-N 3.28Å; W309-V313 HydrophobicContact CD2-CG2 4.43Å; W309-V313 HydrophobicContact CZ2-CG2 4.24Å; W309-V313 VanDerWaalsContact O-CG2 3.32Å; W309-V313 WeakPolarHBondContact O-CG2 3.4Å; W309-V313 PolarHBondContact O-N 3.02Å; W309-V313 VanDerWaalsContact O-N 3.12Å; W309-F340 HydrophobicContact CH2-CB 3.85Å; W309-F340 HydrophobicContact CZ3-CB 3.59Å
310	K	93.8	Very high	93.9	Very high	33 Å²	33	39 Å²	39	14%	0.143	20%	0.195	C	C	.	.	H	α-helix	trans	-60.5	-52.9	170.8	-89.4	170.1	131.5	-78.5	0	110.6	D99 K306 V307 F308 C312 V313 E314 F340	D99-K310 VanDerWaalsContact OD2-CE 3.32Å; D99-K310 WeakPolarHBondContact OD2-CE 3.37Å; D99-K310 IonicContact OD2-NZ 3.73Å; D99-K310 PolarHBondContact OD2-NZ 3.44Å; K306-K310 WeakPolarHBondContact O-CG 3.2Å; K306-K310 PolarHBondContact O-N 2.71Å; K306-K310 VanDerWaalsContact O-N 3.13Å; V307-K310 WeakPolarHBondContact O-CB 3.41Å; V307-K310 PolarHBondContact O-N 3.37Å; V307-K310 VanDerWaalsContact O-N 3.12Å; F308-K310 VanDerWaalsContact C-N 3.31Å; F308-K310 PolarHBondContact O-N 3.1Å; K310-C312 VanDerWaalsContact C-N 3.3Å; K310-C312 PolarHBondContact O-N 2.93Å; K310-V313 WeakPolarHBondContact O-CA 3.4Å; K310-V313 WeakPolarHBondContact O-CB 3.29Å; K310-V313 PolarHBondContact O-N 3.28Å; K310-E314 WeakPolarHBondContact O-CG 3.32Å; K310-E314 PolarHBondContact O-N 3Å; K310-F340 HydrophobicContact CB-CD1 4.42Å; K310-F340 HydrophobicContact CB-CE1 4.48Å; K310-F340 HydrophobicContact CG-CB 4.42Å; K310-F340 HydrophobicContact CG-CD1 3.84Å; K310-F340 HydrophobicContact CG-CD2 4.23Å; K310-F340 HydrophobicContact CG-CE1 4.19Å; K310-F340 HydrophobicContact CG-CG 3.87Å
311	I	94.9	Very high	93.6	Very high	17 Å²	17	37.7 Å²	37.7	9%	0.087	18%	0.175	C	C	.	.	H	α-helix	trans	-56.2	-44.7	-178.6	-62	164.6	0	0	0	110.6	V247 V307 F308 V313 E314 Y315	V247-I311 HydrophobicContact CB-CG2 3.98Å; V247-I311 HydrophobicContact CG1-CG2 4.32Å; V247-I311 HydrophobicContact CG2-CB 4.39Å; V247-I311 HydrophobicContact CG2-CG2 3.77Å; V307-I311 HydrophobicContact CG1-CD1 3.98Å; V307-I311 WeakPolarHBondContact O-CG1 3.23Å; V307-I311 PolarHBondContact O-N 3.37Å; F308-I311 PolarHBondContact O-N 3.4Å; F308-I311 VanDerWaalsContact O-N 3.13Å; I311-V313 PolarHBondContact O-N 3.23Å; I311-E314 PolarHBondContact O-N 3.05Å; I311-Y315 HydrophobicContact CG2-CD2 3.81Å; I311-Y315 HydrophobicContact CG2-CE2 4.02Å; I311-Y315 WeakPolarHBondContact O-CB 3.35Å; I311-Y315 PolarHBondContact O-N 3.19Å
312	C	96.2	Very high	92.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.4	-38.2	175.7	-57.1	0	0	0	0	113.6	V247 W266 L272 F308 K310 H316	V247-C312 VanDerWaalsContact CG2-SG 3.5Å; W266-C312 HydrophobicContact CH2-CB 3.97Å; W266-C312 HydrophobicContact CZ3-CB 4.33Å; L272-C312 HydrophobicContact CD1-CB 3.27Å; F308-C312 PolarHBondContact O-N 2.73Å; F308-C312 PolarHBondContact O-SG 3.07Å; K310-C312 VanDerWaalsContact C-N 3.3Å; K310-C312 PolarHBondContact O-N 2.93Å; C312-H316 VanDerWaalsContact O-CB 3.24Å; C312-H316 WeakPolarHBondContact O-CB 3.42Å; C312-H316 PolarHBondContact O-N 3.31Å
313	V	93.6	Very high	92.3	Very high	39 Å²	39	40 Å²	40	24%	0.236	19%	0.186	C	C	.	.	H	α-helix	trans	-68.6	-37	175.7	168.8	0	0	0	0	111.2	W309 K310 I311 A317 F340	W309-V313 HydrophobicContact CD2-CG2 4.43Å; W309-V313 HydrophobicContact CZ2-CG2 4.24Å; W309-V313 VanDerWaalsContact O-CG2 3.32Å; W309-V313 WeakPolarHBondContact O-CG2 3.4Å; W309-V313 PolarHBondContact O-N 3.02Å; W309-V313 VanDerWaalsContact O-N 3.12Å; K310-V313 WeakPolarHBondContact O-CA 3.4Å; K310-V313 WeakPolarHBondContact O-CB 3.29Å; K310-V313 PolarHBondContact O-N 3.28Å; I311-V313 PolarHBondContact O-N 3.23Å; V313-A317 VanDerWaalsContact O-CB 3.23Å; V313-A317 WeakPolarHBondContact O-CB 3.5Å; V313-A317 PolarHBondContact O-N 3.18Å; V313-F340 HydrophobicContact CB-CD1 4.33Å; V313-F340 HydrophobicContact CG1-CD1 3.94Å; V313-F340 HydrophobicContact CG1-CE1 4.33Å
314	E	94.1	Very high	91.7	Very high	16 Å²	16	41.3 Å²	41.3	8%	0.075	19%	0.191	C	C	.	.	H	α-helix	trans	-69	-48.8	176.3	-65.3	-177.7	105.7	0	0	111.5	K121 F122 K310 I311 A317 F318 F340 F342	K121-E314 WeakPolarHBondContact CE-OE1 3.43Å; K121-E314 IonicContact NZ-OE1 3.54Å; K121-E314 PolarHBondContact NZ-OE1 2.64Å; K121-E314 IonicContact NZ-OE2 3.3Å; F122-E314 HydrophobicContact CE1-CB 4.02Å; F122-E314 HydrophobicContact CZ-CB 4.01Å; K310-E314 WeakPolarHBondContact O-CG 3.32Å; K310-E314 PolarHBondContact O-N 3Å; I311-E314 PolarHBondContact O-N 3.05Å; E314-A317 PolarHBondContact O-N 3.04Å; E314-F318 WeakPolarHBondContact O-CB 3.36Å; E314-F318 PolarHBondContact O-N 3.1Å; E314-F340 HydrophobicContact CG-CE1 3.53Å; E314-F340 HydrophobicContact CG-CZ 3.92Å; E314-F342 HydrophobicContact CB-CD2 4.23Å; E314-F342 HydrophobicContact CG-CD2 4.28Å
315	Y	95.7	Very high	90.9	Very high	14 Å²	14	42 Å²	42	6%	0.055	20%	0.195	C	C	.	.	H	α-helix	trans	-61.4	-45.7	177.4	-95.3	-111.6	0	0	0	112.4	K121 F122 V247 I311 A317 F318 F319	K121-Y315 WeakPolarHBondContact O-CE2 3.15Å; K121-Y315 VanDerWaalsContact O-CZ 3.25Å; K121-Y315 PolarHBondContact O-OH 3.02Å; F122-Y315 HydrophobicContact CD1-CD1 4.46Å; F122-Y315 AromaticContact CD1-CD2 3.62Å; F122-Y315 HydrophobicContact CD1-CD2 3.62Å; F122-Y315 HydrophobicContact CD1-CE1 4.44Å; F122-Y315 AromaticContact CD1-CE2 3.56Å; F122-Y315 HydrophobicContact CD1-CE2 3.56Å; F122-Y315 HydrophobicContact CD1-CG 4.07Å; F122-Y315 AromaticContact CD1-CZ 3.99Å; F122-Y315 AromaticContact CE1-CD2 3.65Å; F122-Y315 HydrophobicContact CE1-CD2 3.65Å; F122-Y315 AromaticContact CE1-CE2 3.92Å; F122-Y315 HydrophobicContact CE1-CE2 3.92Å; F122-Y315 HydrophobicContact CE1-CG 4.26Å; V247-Y315 HydrophobicContact CB-CD1 4.49Å; V247-Y315 HydrophobicContact CB-CG 4.36Å; V247-Y315 HydrophobicContact CG1-CD1 3.8Å; V247-Y315 HydrophobicContact CG1-CD2 4.03Å; V247-Y315 HydrophobicContact CG1-CG 3.5Å; I311-Y315 HydrophobicContact CG2-CD2 3.81Å; I311-Y315 HydrophobicContact CG2-CE2 4.02Å; I311-Y315 WeakPolarHBondContact O-CB 3.35Å; I311-Y315 PolarHBondContact O-N 3.19Å; Y315-A317 VanDerWaalsContact C-N 3.32Å; Y315-A317 PolarHBondContact O-N 2.99Å; Y315-F318 PolarHBondContact O-N 3.08Å; Y315-F319 AromaticContact CD1-CD2 3.91Å; Y315-F319 HydrophobicContact CD1-CD2 3.91Å; Y315-F319 AromaticContact CD1-CE2 3.73Å; Y315-F319 HydrophobicContact CD1-CE2 3.73Å; Y315-F319 HydrophobicContact CE1-CD2 4.47Å; Y315-F319 AromaticContact CE1-CE2 3.83Å; Y315-F319 HydrophobicContact CE1-CE2 3.83Å; Y315-F319 HydrophobicContact CG-CD2 4.48Å; Y315-F319 HydrophobicContact CG-CE2 4.48Å; Y315-F319 WeakPolarHBondContact O-CB 3.49Å; Y315-F319 WeakPolarHBondContact O-CD2 3.47Å; Y315-F319 PolarHBondContact O-N 3.42Å
316	H	94.6	Very high	89.8	Confident	68 Å²	68	49.6 Å²	49.6	32%	0.315	23%	0.229	S	C	.	.	H	α-helix	trans	-61.4	-42.2	174.3	179.5	-67.6	0	0	0	111	W266 C312 R320	W266-H316 HydrophobicContact CD2-CB 4.25Å; W266-H316 HydrophobicContact CE3-CB 4.13Å; W266-H316 AromaticContact CE3-CD2 3.88Å; W266-H316 HydrophobicContact CZ3-CB 4.32Å; C312-H316 VanDerWaalsContact O-CB 3.24Å; C312-H316 WeakPolarHBondContact O-CB 3.42Å; C312-H316 PolarHBondContact O-N 3.31Å; H316-R320 WeakPolarHBondContact O-CA 3.13Å; H316-R320 WeakPolarHBondContact O-CB 3.45Å; H316-R320 PolarHBondContact O-N 3.25Å
317	A	93.3	Very high	88.6	Confident	4 Å²	4	50.5 Å²	50.5	3%	0.033	24%	0.243	C	C	.	.	H	α-helix	trans	-64.4	-47.9	178.8	0	0	0	0	0	112.1	V313 E314 Y315 L321 F342	V313-A317 VanDerWaalsContact O-CB 3.23Å; V313-A317 WeakPolarHBondContact O-CB 3.5Å; V313-A317 PolarHBondContact O-N 3.18Å; E314-A317 PolarHBondContact O-N 3.04Å; Y315-A317 VanDerWaalsContact C-N 3.32Å; Y315-A317 PolarHBondContact O-N 2.99Å; A317-L321 HydrophobicContact CB-CD1 4.08Å; A317-L321 WeakPolarHBondContact O-CB 3.26Å; A317-L321 PolarHBondContact O-N 3.04Å; A317-F342 HydrophobicContact CB-CB 3.34Å; A317-F342 HydrophobicContact CB-CD1 3.68Å; A317-F342 HydrophobicContact CB-CD2 4.17Å; A317-F342 HydrophobicContact CB-CG 3.46Å; A317-F342 VanDerWaalsContact CB-CG 3.46Å
318	F	95.1	Very high	87	Confident	1 Å²	1	58.1 Å²	58.1	0%	0.004	27%	0.274	C	S	.	.	H	α-helix	trans	-64.8	-48.1	-177.8	-172.8	-103.3	0	0	0	112.6	D82 Y83 F122 E314 Y315 F342 R345 Q347 V350	D82-F318 HydrophobicContact CB-CE2 4.02Å; Y83-F318 AromaticContact CD1-CE1 3.64Å; Y83-F318 HydrophobicContact CD1-CE1 3.64Å; Y83-F318 AromaticContact CD1-CZ 3.54Å; Y83-F318 HydrophobicContact CD1-CZ 3.54Å; Y83-F318 AromaticContact CE1-CE1 3.68Å; Y83-F318 HydrophobicContact CE1-CE1 3.68Å; Y83-F318 AromaticContact CE1-CZ 3.71Å; Y83-F318 HydrophobicContact CE1-CZ 3.71Å; Y83-F318 HydrophobicContact CG-CZ 4.06Å; F122-F318 HydrophobicContact CB-CD1 3.6Å; F122-F318 HydrophobicContact CB-CE1 3.54Å; F122-F318 HydrophobicContact CB-CG 4.38Å; F122-F318 HydrophobicContact CB-CZ 4.29Å; F122-F318 HydrophobicContact CD1-CB 4.04Å; F122-F318 AromaticContact CD1-CD1 3.96Å; F122-F318 HydrophobicContact CD1-CD1 3.96Å; F122-F318 HydrophobicContact CD1-CG 4.09Å; F122-F318 HydrophobicContact CD2-CB 4.37Å; F122-F318 AromaticContact CD2-CD1 3.84Å; F122-F318 HydrophobicContact CD2-CD1 3.84Å; F122-F318 AromaticContact CD2-CD2 3.88Å; F122-F318 HydrophobicContact CD2-CD2 3.88Å; F122-F318 HydrophobicContact CD2-CE1 4.02Å; F122-F318 HydrophobicContact CD2-CE2 4.07Å; F122-F318 AromaticContact CD2-CG 3.76Å; F122-F318 HydrophobicContact CD2-CG 3.76Å; F122-F318 HydrophobicContact CD2-CZ 4.13Å; F122-F318 HydrophobicContact CE1-CB 3.87Å; F122-F318 HydrophobicContact CE1-CG 4.28Å; F122-F318 HydrophobicContact CE2-CB 4.21Å; F122-F318 HydrophobicContact CE2-CD1 4.48Å; F122-F318 AromaticContact CE2-CD2 3.93Å; F122-F318 HydrophobicContact CE2-CD2 3.93Å; F122-F318 HydrophobicContact CE2-CE2 4.43Å; F122-F318 AromaticContact CE2-CG 3.96Å; F122-F318 HydrophobicContact CE2-CG 3.96Å; F122-F318 HydrophobicContact CG-CB 4.28Å; F122-F318 AromaticContact CG-CD1 3.54Å; F122-F318 HydrophobicContact CG-CD1 3.54Å; F122-F318 HydrophobicContact CG-CD2 4.4Å; F122-F318 AromaticContact CG-CE1 3.88Å; F122-F318 HydrophobicContact CG-CE1 3.88Å; F122-F318 AromaticContact CG-CG 3.82Å; F122-F318 HydrophobicContact CG-CG 3.82Å; F122-F318 HydrophobicContact CG-CZ 4.45Å; F122-F318 HydrophobicContact CZ-CB 3.95Å; F122-F318 HydrophobicContact CZ-CD2 4.5Å; F122-F318 HydrophobicContact CZ-CG 4.21Å; E314-F318 WeakPolarHBondContact O-CB 3.36Å; E314-F318 PolarHBondContact O-N 3.1Å; Y315-F318 PolarHBondContact O-N 3.08Å; F318-F342 HydrophobicContact CB-CE2 4.42Å; F318-F342 HydrophobicContact CB-CZ 4.33Å; F318-F342 HydrophobicContact CD2-CZ 4.01Å; F318-R345 WeakPolarHBondContact CD2-O 3.43Å; F318-Q347 HydrophobicContact CD1-CB 3.97Å; F318-Q347 HydrophobicContact CE1-CB 3.64Å; F318-Q347 HydrophobicContact CE1-CG 3.77Å; F318-Q347 HydrophobicContact CE2-CB 4.35Å; F318-Q347 HydrophobicContact CG-CB 4.47Å; F318-Q347 HydrophobicContact CZ-CB 3.85Å; F318-Q347 HydrophobicContact CZ-CG 3.99Å; F318-Q347 WeakPolarHBondContact O-CB 3.31Å; F318-Q347 PolarHBondContact O-N 3.25Å; F318-V350 HydrophobicContact CE2-CG2 4.25Å
319	F	94.1	Very high	85	Confident	24 Å²	24	64.1 Å²	64.1	11%	0.105	31%	0.313	C	S	.	.	H	α-helix	trans	-92.8	-14.4	-173.7	-70	-66.5	0	0	0	115.6	F122 F123 P124 H249 Y315 Q347	F122-F319 HydrophobicContact CB-CE2 3.83Å; F122-F319 HydrophobicContact CB-CZ 3.75Å; F122-F319 HydrophobicContact CD1-CE2 4.11Å; F122-F319 HydrophobicContact CG-CE2 4.37Å; F123-F319 WeakPolarHBondContact O-CZ 3.33Å; P124-F319 HydrophobicContact CB-CE1 4.32Å; H249-F319 HydrophobicContact CB-CB 4.46Å; H249-F319 HydrophobicContact CB-CD1 3.87Å; H249-F319 HydrophobicContact CB-CD2 3.79Å; H249-F319 HydrophobicContact CB-CE1 3.97Å; H249-F319 HydrophobicContact CB-CE2 3.87Å; H249-F319 HydrophobicContact CB-CG 3.79Å; H249-F319 HydrophobicContact CB-CZ 3.96Å; Y315-F319 AromaticContact CD1-CD2 3.91Å; Y315-F319 HydrophobicContact CD1-CD2 3.91Å; Y315-F319 AromaticContact CD1-CE2 3.73Å; Y315-F319 HydrophobicContact CD1-CE2 3.73Å; Y315-F319 HydrophobicContact CE1-CD2 4.47Å; Y315-F319 AromaticContact CE1-CE2 3.83Å; Y315-F319 HydrophobicContact CE1-CE2 3.83Å; Y315-F319 HydrophobicContact CG-CD2 4.48Å; Y315-F319 HydrophobicContact CG-CE2 4.48Å; Y315-F319 WeakPolarHBondContact O-CB 3.49Å; Y315-F319 WeakPolarHBondContact O-CD2 3.47Å; Y315-F319 PolarHBondContact O-N 3.42Å; F319-Q347 HydrophobicContact CD1-CB 4.44Å; F319-Q347 HydrophobicContact CE1-CG 4.48Å
320	R	91.3	Very high	83	Confident	132 Å²	132	71.8 Å²	71.8	50%	0.498	35%	0.347	S	S	.	.	H	α-helix	trans	-123.5	-9.5	-173.2	-54	-63.4	-58.8	155.7	2.4	115.6	W266 H316	W266-R320 HydrophobicContact CB-CG 3.91Å; W266-R320 HydrophobicContact CG-CG 3.86Å; H316-R320 WeakPolarHBondContact O-CA 3.13Å; H316-R320 WeakPolarHBondContact O-CB 3.45Å; H316-R320 PolarHBondContact O-N 3.25Å
321	L	86.1	Confident	80.9	Confident	60 Å²	60	74.4 Å²	74.4	31%	0.314	37%	0.367	S	S	.	.			trans	-106.4	149.7	176.3	-56.1	-179.6	0	0	0	110.8	A317 P325 T346	A317-L321 HydrophobicContact CB-CD1 4.08Å; A317-L321 WeakPolarHBondContact O-CB 3.26Å; A317-L321 PolarHBondContact O-N 3.04Å; L321-P325 HydrophobicContact CD1-CG 3.65Å; L321-T346 HydrophobicContact CB-CG2 4.23Å; L321-T346 VanDerWaalsContact O-CB 3.26Å; L321-T346 WeakPolarHBondContact O-CB 3.11Å; L321-T346 WeakPolarHBondContact O-CG2 3.35Å; L321-T346 PolarHBondContact O-OG1 3.48Å
322	F	79.9	Confident	78.8	Confident	123 Å²	123	82.3 Å²	82.3	54%	0.539	41%	0.406	S	S	.	.	S	Bend	trans	-86.7	-21.6	177.7	-55.2	-54.9	0	0	0	112.8	T346 K348 Q349 N940	F322-T346 PolarHBondContact O-OG1 3.43Å; F322-K348 HydrophobicContact CB-CD 4.36Å; F322-K348 HydrophobicContact CD1-CD 3.85Å; F322-Q349 WeakPolarHBondContact O-CG 3.44Å; F322-N940 WeakPolarHBondContact CD1-OD1 3.46Å; F322-N940 WeakPolarHBondContact CE1-ND2 3.5Å; F322-N940 WeakPolarHBondContact CZ-ND2 3.17Å
323	E	81.5	Confident	76.4	Confident	111 Å²	111	88.8 Å²	88.8	52%	0.519	44%	0.44	S	S	.	.	S	Bend	trans	-138	157.5	-179.4	-69	175.6	-155.7	0	0	111.4	K326	E323-K326 WeakPolarHBondContact OE2-CE 3.5Å; E323-K326 IonicContact OE2-NZ 2.67Å
324	E	78.2	Confident	74.4	Confident	58 Å²	58	96.1 Å²	96.1	27%	0.271	47%	0.469	S	S	.	.			trans	-56.8	130.7	168.7	-164.8	-165.6	87.3	0	0	110.7	K326 R341 F342 S343 G344	E324-K326 PolarHBondContact O-N 3.43Å; E324-R341 IonicContact OE1-CZ 3.57Å; E324-R341 IonicContact OE1-NH1 3.64Å; E324-R341 PolarHBondContact OE1-NH1 2.8Å; E324-R341 IonicContact OE1-NH2 2.88Å; E324-R341 PolarHBondContact OE1-NH2 2.93Å; E324-R341 IonicContact OE2-NH2 3.77Å; E324-F342 HydrophobicContact CG-CD1 4.44Å; E324-S343 WeakPolarHBondContact OE2-CA 3.33Å; E324-S343 PolarHBondContact OE2-OG 2.98Å; E324-G344 PolarHBondContact OE2-N 3.4Å
325	P	74.5	Confident	72.2	Confident	42 Å²	42	100.5 Å²	100.5	27%	0.273	50%	0.497	S	S	.	.			trans	-59.2	111.1	-178.8	-25	33.1	0	0	0	113.2	L321 R341	L321-P325 HydrophobicContact CD1-CG 3.65Å; P325-R341 HydrophobicContact CB-CG 4.27Å; P325-R341 WeakPolarHBondContact O-CD 3.33Å; P325-R341 PolarHBondContact O-NH1 3.11Å
326	K	72.8	Confident	70.1	Confident	160 Å²	160	112.1 Å²	112.1	70%	0.696	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-53.2	136.1	-179.8	-64.4	-179.2	-176	174.4	0	111.6	E323 E324 K328	E323-K326 WeakPolarHBondContact OE2-CE 3.5Å; E323-K326 IonicContact OE2-NZ 2.67Å; E324-K326 PolarHBondContact O-N 3.43Å; K326-K328 PolarHBondContact O-N 2.92Å
327	P	67.2	Low	68.6	Low	101 Å²	101	111.9 Å²	111.9	66%	0.656	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-67.6	119.4	-175.1	27.5	-34.2	0	0	0	110.8
328	K	59.2	Low	67.8	Low	188 Å²	188	114.4 Å²	114.4	82%	0.817	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-71.5	138.9	175	-63.5	-166.1	175.9	-165.5	0	110.5	K326 K330	K326-K328 PolarHBondContact O-N 2.92Å; K328-K330 PolarHBondContact O-N 3.15Å
329	P	54.3	Low	67	Low	125 Å²	125	119.8 Å²	119.8	81%	0.812	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-58.6	139.2	172.1	25.7	-33.9	0	0	0	109.8	P331	P329-P331 WeakPolarHBondContact O-CD 3.32Å
330	K	52.9	Low	66.5	Low	191 Å²	191	120.6 Å²	120.6	83%	0.83	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-79.7	120.1	178.7	-65.7	174.6	-174.6	166.5	0	108.8	K328 M332	K328-K330 PolarHBondContact O-N 3.15Å; K330-M332 PolarHBondContact O-N 3.4Å
331	P	48.7	Very low	66.1	Low	89 Å²	89	117.2 Å²	117.2	58%	0.578	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-61.9	132.4	165.7	27.8	-33.1	0	0	0	108.3	P329 L333	P329-P331 WeakPolarHBondContact O-CD 3.32Å; P331-L333 PolarHBondContact O-N 3.04Å; P331-L333 VanDerWaalsContact O-N 3.09Å
332	M	51.2	Low	66.2	Low	183 Å²	183	114.7 Å²	114.7	90%	0.901	59%	0.589	S	S	*	*	S	Bend	trans	-72.1	-4.6	-166	-71.9	-141.5	67.8	0	0	115.3	K330	K330-M332 PolarHBondContact O-N 3.4Å
333	L	45.9	Very low	66.4	Low	136 Å²	136	110 Å²	110	71%	0.712	57%	0.571	S	S	*	*	S	Bend	trans	-126.6	127.2	-179.2	-66.8	174.5	0	0	0	112.7	P331 T335	P331-L333 PolarHBondContact O-N 3.04Å; P331-L333 VanDerWaalsContact O-N 3.09Å; L333-T335 PolarHBondContact O-N 3.43Å
334	F	51.6	Low	66.7	Low	193 Å²	193	105.3 Å²	105.3	85%	0.846	55%	0.553	S	S	*	*			trans	44.2	53.8	158.3	-57.9	-69.5	0	0	0	119.9	R336	F334-R336 PolarHBondContact O-N 3Å
335	T	47.7	Very low	67.4	Low	108 Å²	108	105.4 Å²	105.4	66%	0.663	55%	0.551	S	S	*	*			trans	-69.7	86.5	164.6	-31.7	0	0	0	0	111.7	L333 G337	L333-T335 PolarHBondContact O-N 3.43Å; T335-G337 VanDerWaalsContact C-N 3.28Å; T335-G337 PolarHBondContact O-N 3.2Å
336	R	52.8	Low	68.3	Low	258 Å²	258	103.4 Å²	103.4	97%	0.974	54%	0.538	S	S	*	.			trans	-73.6	67	-177.2	-166.1	179.6	-178	175.7	2	113.3	F334	F334-R336 PolarHBondContact O-N 3Å
337	G	63.2	Low	69.3	Low	63 Å²	63	96.8 Å²	96.8	65%	0.649	51%	0.509	S	S	*	.	S	Bend	trans	-164.4	167.5	177.8	0	0	0	0	0	114.4	T335	T335-G337 VanDerWaalsContact C-N 3.28Å; T335-G337 PolarHBondContact O-N 3.2Å
338	S	75.2	Confident	70.3	Confident	56 Å²	56	94.6 Å²	94.6	39%	0.392	49%	0.489	S	S	.	.			trans	-80.8	126.5	166.7	-77.5	0	0	0	0	109.7	K306	K306-S338 PolarHBondContact NZ-OG 3.38Å; K306-S338 VanDerWaalsContact NZ-OG 3.09Å
339	S	78.1	Confident	71.8	Confident	114 Å²	114	88.5 Å²	88.5	80%	0.797	46%	0.464	S	S	*	.			trans	-111.7	148.3	170.3	-174.3	0	0	0	0	110.2
340	F	84.2	Confident	73.5	Confident	41 Å²	41	82.6 Å²	82.6	18%	0.18	43%	0.425	C	S	.	.			trans	-156.3	154.7	174.8	177.5	-106.6	0	0	0	108.8	W309 K310 V313 E314	W309-F340 HydrophobicContact CH2-CB 3.85Å; W309-F340 HydrophobicContact CZ3-CB 3.59Å; K310-F340 HydrophobicContact CB-CD1 4.42Å; K310-F340 HydrophobicContact CB-CE1 4.48Å; K310-F340 HydrophobicContact CG-CB 4.42Å; K310-F340 HydrophobicContact CG-CD1 3.84Å; K310-F340 HydrophobicContact CG-CD2 4.23Å; K310-F340 HydrophobicContact CG-CE1 4.19Å; K310-F340 HydrophobicContact CG-CG 3.87Å; V313-F340 HydrophobicContact CB-CD1 4.33Å; V313-F340 HydrophobicContact CG1-CD1 3.94Å; V313-F340 HydrophobicContact CG1-CE1 4.33Å; E314-F340 HydrophobicContact CG-CE1 3.53Å; E314-F340 HydrophobicContact CG-CZ 3.92Å
341	R	83.6	Confident	75.2	Confident	62 Å²	62	74.4 Å²	74.4	23%	0.234	39%	0.391	C	S	.	.			trans	-141.6	134	-177.3	-165.5	-169	77.2	112.6	5.9	107.4	E324 P325 S343	E324-R341 IonicContact OE1-CZ 3.57Å; E324-R341 IonicContact OE1-NH1 3.64Å; E324-R341 PolarHBondContact OE1-NH1 2.8Å; E324-R341 IonicContact OE1-NH2 2.88Å; E324-R341 PolarHBondContact OE1-NH2 2.93Å; E324-R341 IonicContact OE2-NH2 3.77Å; P325-R341 HydrophobicContact CB-CG 4.27Å; P325-R341 WeakPolarHBondContact O-CD 3.33Å; P325-R341 PolarHBondContact O-NH1 3.11Å; R341-S343 PolarHBondContact NH2-OG 2.95Å; R341-S343 VanDerWaalsContact NH2-OG 3.16Å
342	F	88.2	Confident	77.1	Confident	6 Å²	6	71 Å²	71	3%	0.026	37%	0.367	C	S	.	.			trans	-59.8	151.9	167.5	175.1	-107.9	0	0	0	110.3	F122 E314 A317 F318 E324 G344 R345	F122-F342 HydrophobicContact CE2-CE2 4.19Å; F122-F342 AromaticContact CZ-CE2 3.89Å; F122-F342 HydrophobicContact CZ-CE2 3.89Å; E314-F342 HydrophobicContact CB-CD2 4.23Å; E314-F342 HydrophobicContact CG-CD2 4.28Å; A317-F342 HydrophobicContact CB-CB 3.34Å; A317-F342 HydrophobicContact CB-CD1 3.68Å; A317-F342 HydrophobicContact CB-CD2 4.17Å; A317-F342 HydrophobicContact CB-CG 3.46Å; A317-F342 VanDerWaalsContact CB-CG 3.46Å; F318-F342 HydrophobicContact CB-CE2 4.42Å; F318-F342 HydrophobicContact CB-CZ 4.33Å; F318-F342 HydrophobicContact CD2-CZ 4.01Å; E324-F342 HydrophobicContact CG-CD1 4.44Å; F342-G344 VanDerWaalsContact CE1-O 3.24Å; F342-G344 WeakPolarHBondContact CE1-O 3.24Å; F342-R345 WeakPolarHBondContact CZ-O 3.01Å
343	S	84.5	Confident	78.8	Confident	25 Å²	25	67.1 Å²	67.1	18%	0.175	34%	0.343	C	S	.	.			trans	-152.1	128.2	174.7	-152.3	0	0	0	0	111.6	H100 E324 R341	H100-S343 PolarHBondContact ND1-O 3.38Å; E324-S343 WeakPolarHBondContact OE2-CA 3.33Å; E324-S343 PolarHBondContact OE2-OG 2.98Å; R341-S343 PolarHBondContact NH2-OG 2.95Å; R341-S343 VanDerWaalsContact NH2-OG 3.16Å
344	G	87	Confident	80.7	Confident	12 Å²	12	61.4 Å²	61.4	12%	0.124	31%	0.314	C	S	.	.	S	Bend	trans	129	173	-159.3	0	0	0	0	0	110.8	D82 E324 F342	D82-G344 WeakPolarHBondContact OD1-CA 3.27Å; E324-G344 PolarHBondContact OE2-N 3.4Å; F342-G344 VanDerWaalsContact CE1-O 3.24Å; F342-G344 WeakPolarHBondContact CE1-O 3.24Å
345	R	92.3	Very high	82.1	Confident	60 Å²	60	59.4 Å²	59.4	23%	0.226	30%	0.301	C	S	.	.			trans	-73.5	143	174.6	-68.9	175.2	-68.2	-168.6	7.7	109.8	I79 D82 F318 F342 Q349 V350	I79-R345 PolarHBondContact O-NH2 3.41Å; D82-R345 PolarHBondContact OD1-N 3.24Å; D82-R345 IonicContact OD2-CZ 2.98Å; D82-R345 IonicContact OD2-NE 2.68Å; D82-R345 PolarHBondContact OD2-NE 3.03Å; D82-R345 IonicContact OD2-NH2 2.76Å; D82-R345 PolarHBondContact OD2-NH2 3.15Å; F318-R345 WeakPolarHBondContact CD2-O 3.43Å; F342-R345 WeakPolarHBondContact CZ-O 3.01Å; R345-Q349 HydrophobicContact CB-CB 3.78Å; R345-Q349 HydrophobicContact CG-CB 4.15Å; R345-V350 HydrophobicContact CB-CG2 3.77Å
346	T	93.9	Very high	83.6	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.299	C	S	.	.			trans	-69.7	163.6	165.3	66.4	0	0	0	0	110.1	L321 F322 K348 Q349 V350	L321-T346 HydrophobicContact CB-CG2 4.23Å; L321-T346 VanDerWaalsContact O-CB 3.26Å; L321-T346 WeakPolarHBondContact O-CB 3.11Å; L321-T346 WeakPolarHBondContact O-CG2 3.35Å; L321-T346 PolarHBondContact O-OG1 3.48Å; F322-T346 PolarHBondContact O-OG1 3.43Å; T346-K348 PolarHBondContact O-N 2.92Å; T346-Q349 VanDerWaalsContact N-OE1 3.11Å; T346-Q349 CarbonylContact O-C 3.6Å; T346-Q349 WeakPolarHBondContact O-CA 3.37Å; T346-Q349 PolarHBondContact O-N 3.46Å; T346-Q349 WeakPolarHBondContact OG1-CG 3.3Å; T346-Q349 PolarHBondContact OG1-N 2.98Å; T346-Q349 PolarHBondContact OG1-OE1 2.95Å; T346-V350 WeakPolarHBondContact O-CG2 3.45Å; T346-V350 PolarHBondContact O-N 3.16Å
347	Q	92.9	Very high	84.6	Confident	21 Å²	21	50 Å²	50	10%	0.098	27%	0.265	C	S	.	.	H	α-helix	trans	-55.7	-38.6	179.2	-162.2	-159.7	3.4	0	0	111.6	Y83 F318 F319 V350 I351	Y83-Q347 HydrophobicContact CE1-CG 3.9Å; Y83-Q347 WeakPolarHBondContact OH-CG 3.29Å; Y83-Q347 PolarHBondContact OH-NE2 2.98Å; F318-Q347 HydrophobicContact CD1-CB 3.97Å; F318-Q347 HydrophobicContact CE1-CB 3.64Å; F318-Q347 HydrophobicContact CE1-CG 3.77Å; F318-Q347 HydrophobicContact CE2-CB 4.35Å; F318-Q347 HydrophobicContact CG-CB 4.47Å; F318-Q347 HydrophobicContact CZ-CB 3.85Å; F318-Q347 HydrophobicContact CZ-CG 3.99Å; F318-Q347 WeakPolarHBondContact O-CB 3.31Å; F318-Q347 PolarHBondContact O-N 3.25Å; F319-Q347 HydrophobicContact CD1-CB 4.44Å; F319-Q347 HydrophobicContact CE1-CG 4.48Å; Q347-V350 PolarHBondContact O-N 2.76Å; Q347-I351 HydrophobicContact CG-CD1 4.05Å; Q347-I351 WeakPolarHBondContact O-CG1 3.41Å; Q347-I351 PolarHBondContact O-N 2.91Å
348	K	89.4	Confident	84.4	Confident	55 Å²	55	55.3 Å²	55.3	24%	0.239	27%	0.273	C	S	.	.	H	α-helix	trans	-59.4	-50.4	172.7	-176.3	-174.8	172.7	-170.2	0	111.1	F322 T346 V350 I351 D352 N940	F322-K348 HydrophobicContact CB-CD 4.36Å; F322-K348 HydrophobicContact CD1-CD 3.85Å; T346-K348 PolarHBondContact O-N 2.92Å; K348-V350 PolarHBondContact O-N 2.9Å; K348-I351 PolarHBondContact O-N 2.63Å; K348-D352 WeakPolarHBondContact CE-OD2 3.45Å; K348-D352 WeakPolarHBondContact CG-OD2 3.11Å; K348-D352 WeakPolarHBondContact O-CB 3.31Å; K348-D352 VanDerWaalsContact O-CG 3.3Å; K348-D352 PolarHBondContact O-N 3.16Å; K348-N940 HydrophobicContact CD-CB 4.08Å; K348-N940 PolarHBondContact NZ-OD1 3.15Å
349	Q	90.3	Very high	83.8	Confident	61 Å²	61	56.1 Å²	56.1	29%	0.285	27%	0.269	S	S	.	.	H	α-helix	trans	-64.4	-25.6	179.8	-69.4	178.6	-58	0	0	113.6	F322 R345 T346 Y353	F322-Q349 WeakPolarHBondContact O-CG 3.44Å; R345-Q349 HydrophobicContact CB-CB 3.78Å; R345-Q349 HydrophobicContact CG-CB 4.15Å; T346-Q349 VanDerWaalsContact N-OE1 3.11Å; T346-Q349 CarbonylContact O-C 3.6Å; T346-Q349 WeakPolarHBondContact O-CA 3.37Å; T346-Q349 PolarHBondContact O-N 3.46Å; T346-Q349 WeakPolarHBondContact OG1-CG 3.3Å; T346-Q349 PolarHBondContact OG1-N 2.98Å; T346-Q349 PolarHBondContact OG1-OE1 2.95Å; Q349-Y353 WeakPolarHBondContact O-CB 3.46Å; Q349-Y353 PolarHBondContact O-N 3.11Å
350	V	90.4	Very high	82.8	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-70.4	-52.9	170.4	178.4	0	0	0	0	110.3	E80 D82 Y83 F318 R345 T346 Q347 K348 D352 Y353 V354	E80-V350 HydrophobicContact CB-CG1 4.04Å; E80-V350 HydrophobicContact CG-CG1 4.01Å; D82-V350 HydrophobicContact CB-CG2 3.74Å; Y83-V350 HydrophobicContact CD2-CG1 4.44Å; Y83-V350 HydrophobicContact CE2-CG1 4.09Å; F318-V350 HydrophobicContact CE2-CG2 4.25Å; R345-V350 HydrophobicContact CB-CG2 3.77Å; T346-V350 WeakPolarHBondContact O-CG2 3.45Å; T346-V350 PolarHBondContact O-N 3.16Å; Q347-V350 PolarHBondContact O-N 2.76Å; K348-V350 PolarHBondContact O-N 2.9Å; V350-D352 VanDerWaalsContact C-N 3.33Å; V350-D352 PolarHBondContact O-N 3.5Å; V350-Y353 PolarHBondContact O-N 3.26Å; V350-V354 VanDerWaalsContact O-CG2 3.31Å; V350-V354 WeakPolarHBondContact O-CG2 3.21Å; V350-V354 PolarHBondContact O-N 3.25Å
351	I	89.3	Confident	81.7	Confident	20 Å²	20	65.3 Å²	65.3	10%	0.103	30%	0.295	C	S	.	.	H	α-helix	trans	-60.6	-42.1	-178.2	-70.6	167.1	0	0	0	111.6	Q129 L131 Q347 K348 R355	Q129-I351 HydrophobicContact CB-CD1 4.21Å; L131-I351 HydrophobicContact CD1-CG2 4.39Å; Q347-I351 HydrophobicContact CG-CD1 4.05Å; Q347-I351 WeakPolarHBondContact O-CG1 3.41Å; Q347-I351 PolarHBondContact O-N 2.91Å; K348-I351 PolarHBondContact O-N 2.63Å; I351-R355 VanDerWaalsContact CG2-NH1 3.27Å; I351-R355 WeakPolarHBondContact O-CD 3.35Å; I351-R355 VanDerWaalsContact O-CG 3.26Å; I351-R355 WeakPolarHBondContact O-CG 3.08Å; I351-R355 PolarHBondContact O-N 3.1Å
352	D	87.2	Confident	80.9	Confident	17 Å²	17	66.3 Å²	66.3	9%	0.091	30%	0.304	C	S	.	.	H	α-helix	trans	-68.8	-44.5	178.3	-68.2	-8.5	0	0	0	110.8	K348 V350 V354 R355 E356 N942	K348-D352 WeakPolarHBondContact CE-OD2 3.45Å; K348-D352 WeakPolarHBondContact CG-OD2 3.11Å; K348-D352 WeakPolarHBondContact O-CB 3.31Å; K348-D352 VanDerWaalsContact O-CG 3.3Å; K348-D352 PolarHBondContact O-N 3.16Å; V350-D352 VanDerWaalsContact C-N 3.33Å; V350-D352 PolarHBondContact O-N 3.5Å; D352-V354 PolarHBondContact O-N 3.34Å; D352-R355 PolarHBondContact O-N 2.87Å; D352-R355 VanDerWaalsContact O-N 3.1Å; D352-E356 WeakPolarHBondContact O-CB 3.35Å; D352-E356 WeakPolarHBondContact O-CG 3.29Å; D352-E356 PolarHBondContact O-N 3.46Å; D352-N942 PolarHBondContact OD2-ND2 2.71Å
353	Y	86.4	Confident	79.7	Confident	101 Å²	101	71.6 Å²	71.6	40%	0.396	34%	0.339	S	S	.	.	H	α-helix	trans	-58.7	-41.6	176.7	176.1	-90.2	0	0	0	113.4	I79 Q349 V350 R355 S357 F359	I79-Y353 HydrophobicContact CG2-CD1 4.2Å; I79-Y353 HydrophobicContact CG2-CE1 3.99Å; Q349-Y353 WeakPolarHBondContact O-CB 3.46Å; Q349-Y353 PolarHBondContact O-N 3.11Å; V350-Y353 PolarHBondContact O-N 3.26Å; Y353-R355 VanDerWaalsContact C-N 3.34Å; Y353-S357 VanDerWaalsContact O-CB 3.29Å; Y353-S357 WeakPolarHBondContact O-CB 3.47Å; Y353-S357 PolarHBondContact O-N 3.3Å; Y353-S357 PolarHBondContact O-OG 2.84Å; Y353-F359 HydrophobicContact CD1-CE2 4.12Å; Y353-F359 HydrophobicContact CD1-CZ 4.35Å; Y353-F359 AromaticContact CE1-CE2 3.63Å; Y353-F359 HydrophobicContact CE1-CE2 3.63Å; Y353-F359 AromaticContact CE1-CZ 3.46Å; Y353-F359 HydrophobicContact CE1-CZ 3.46Å; Y353-F359 VanDerWaalsContact CE1-CZ 3.46Å; Y353-F359 AromaticContact CZ-CZ 3.74Å
354	V	85.8	Confident	79.4	Confident	17 Å²	17	72 Å²	72	10%	0.103	34%	0.338	C	S	.	.	H	α-helix	trans	-66.2	-37.6	176.6	176.8	0	0	0	0	111.2	I79 E80 L131 V350 D352	I79-V354 HydrophobicContact CG2-CG2 3.76Å; E80-V354 HydrophobicContact CG-CG2 3.63Å; L131-V354 HydrophobicContact CB-CG1 3.87Å; L131-V354 HydrophobicContact CD1-CB 3.9Å; L131-V354 HydrophobicContact CD1-CG1 3.74Å; L131-V354 HydrophobicContact CG-CG1 4.46Å; V350-V354 VanDerWaalsContact O-CG2 3.31Å; V350-V354 WeakPolarHBondContact O-CG2 3.21Å; V350-V354 PolarHBondContact O-N 3.25Å; D352-V354 PolarHBondContact O-N 3.34Å
355	R	82.1	Confident	78.6	Confident	150 Å²	150	77.3 Å²	77.3	57%	0.566	36%	0.359	S	S	*	.	H	α-helix	trans	-74.9	-27.7	-179.9	-73.6	169.9	174.4	166.6	-0.6	113.9	L131 I351 D352 Y353	L131-R355 HydrophobicContact CD1-CG 4.04Å; I351-R355 VanDerWaalsContact CG2-NH1 3.27Å; I351-R355 WeakPolarHBondContact O-CD 3.35Å; I351-R355 VanDerWaalsContact O-CG 3.26Å; I351-R355 WeakPolarHBondContact O-CG 3.08Å; I351-R355 PolarHBondContact O-N 3.1Å; D352-R355 PolarHBondContact O-N 2.87Å; D352-R355 VanDerWaalsContact O-N 3.1Å; Y353-R355 VanDerWaalsContact C-N 3.34Å
356	E	78.8	Confident	78	Confident	132 Å²	132	76.3 Å²	76.3	62%	0.617	36%	0.355	S	S	*	.	H	α-helix	trans	-90.1	-7.5	-178.3	-72.1	168	-171.7	0	0	113.2	D352 N942	D352-E356 WeakPolarHBondContact O-CB 3.35Å; D352-E356 WeakPolarHBondContact O-CG 3.29Å; D352-E356 PolarHBondContact O-N 3.46Å; E356-N942 PolarHBondContact OE1-ND2 3Å
357	S	72.9	Confident	76.7	Confident	38 Å²	38	81.1 Å²	81.1	27%	0.266	38%	0.376	S	S	.	.			trans	-114.5	118.6	-175.2	-56.1	0	0	0	0	111.6	Y353 F359	Y353-S357 VanDerWaalsContact O-CB 3.29Å; Y353-S357 WeakPolarHBondContact O-CB 3.47Å; Y353-S357 PolarHBondContact O-N 3.3Å; Y353-S357 PolarHBondContact O-OG 2.84Å; S357-F359 VanDerWaalsContact CB-CZ 3.48Å; S357-F359 PolarHBondContact O-N 3.33Å
358	E	59.2	Low	75.1	Confident	174 Å²	174	84 Å²	84	81%	0.813	39%	0.39	S	S	*	.			trans	-74.5	68.8	171.3	-65.4	-165.5	162.6	0	0	111.6	K360	E358-K360 PolarHBondContact O-N 2.89Å
359	F	64.3	Low	72.9	Confident	73 Å²	73	83.4 Å²	83.4	32%	0.32	39%	0.393	S	S	.	.			trans	-67.8	127.5	172.8	-67.9	-61.9	0	0	0	110.7	I79 Y353 S357 K361	I79-F359 HydrophobicContact CB-CE2 4.44Å; I79-F359 HydrophobicContact CD1-CB 3.77Å; I79-F359 HydrophobicContact CD1-CD1 4.32Å; I79-F359 HydrophobicContact CD1-CD2 3.6Å; I79-F359 HydrophobicContact CD1-CE2 4.28Å; I79-F359 HydrophobicContact CD1-CG 3.63Å; I79-F359 HydrophobicContact CG1-CD1 4.45Å; I79-F359 HydrophobicContact CG1-CD2 3.99Å; I79-F359 HydrophobicContact CG1-CE2 4.18Å; I79-F359 HydrophobicContact CG1-CG 4.14Å; I79-F359 HydrophobicContact CG2-CD2 3.75Å; I79-F359 HydrophobicContact CG2-CE2 3.38Å; I79-F359 HydrophobicContact CG2-CZ 4.09Å; Y353-F359 HydrophobicContact CD1-CE2 4.12Å; Y353-F359 HydrophobicContact CD1-CZ 4.35Å; Y353-F359 AromaticContact CE1-CE2 3.63Å; Y353-F359 HydrophobicContact CE1-CE2 3.63Å; Y353-F359 AromaticContact CE1-CZ 3.46Å; Y353-F359 HydrophobicContact CE1-CZ 3.46Å; Y353-F359 VanDerWaalsContact CE1-CZ 3.46Å; Y353-F359 AromaticContact CZ-CZ 3.74Å; S357-F359 VanDerWaalsContact CB-CZ 3.48Å; S357-F359 PolarHBondContact O-N 3.33Å; F359-K361 PolarHBondContact O-N 3.35Å
360	K	56.8	Low	70.3	Confident	188 Å²	188	90.7 Å²	90.7	82%	0.817	42%	0.418	S	S	*	.			trans	-62.3	119.3	163.9	-68.1	-175.7	178.9	-178	0	108	E358 I362	E358-K360 PolarHBondContact O-N 2.89Å; K360-I362 PolarHBondContact O-N 2.95Å
361	K	60.6	Low	67.7	Low	159 Å²	159	95 Å²	95	69%	0.691	44%	0.444	S	S	*	.			trans	-68.7	97.2	174.2	-68.1	-171.6	171.3	-170.7	0	109.3	E132 F359 P363	E132-K361 WeakPolarHBondContact OE1-CE 3.35Å; E132-K361 IonicContact OE1-NZ 2.74Å; F359-K361 PolarHBondContact O-N 3.35Å; K361-P363 WeakPolarHBondContact O-CD 3.49Å
362	I	65.9	Low	64.8	Low	83 Å²	83	105.4 Å²	105.4	43%	0.426	48%	0.482	S	S	.	.			trans	-76.6	122.5	174.7	-51.7	-175.6	0	0	0	107.6	K360	K360-I362 PolarHBondContact O-N 2.95Å
363	P	64.5	Low	62.1	Low	118 Å²	118	115 Å²	115	77%	0.766	52%	0.518	S	S	*	.			trans	-60.4	138.9	171.6	-21.6	33.9	0	0	0	110.7	K361	K361-P363 WeakPolarHBondContact O-CD 3.49Å
364	F	77	Confident	59.4	Low	32 Å²	32	115.4 Å²	115.4	14%	0.14	54%	0.536	C	S	.	.			trans	-112.6	142	173.9	64.2	-86.3	0	0	0	109.7	T27 E133 L134 Y137 R366	T27-F364 HydrophobicContact CG2-CB 3.85Å; E133-F364 HydrophobicContact CB-CE1 4.25Å; E133-F364 HydrophobicContact CG-CE1 4.19Å; E133-F364 HydrophobicContact CG-CZ 4.25Å; L134-F364 HydrophobicContact CB-CD1 3.94Å; L134-F364 HydrophobicContact CB-CE1 3.85Å; L134-F364 HydrophobicContact CB-CZ 4.38Å; L134-F364 HydrophobicContact CD1-CB 4.47Å; L134-F364 HydrophobicContact CD1-CD1 4.16Å; L134-F364 HydrophobicContact CD1-CD2 3.93Å; L134-F364 HydrophobicContact CD1-CE1 4.39Å; L134-F364 HydrophobicContact CD1-CE2 4.17Å; L134-F364 HydrophobicContact CD1-CG 3.92Å; L134-F364 HydrophobicContact CD1-CZ 4.4Å; Y137-F364 HydrophobicContact CD1-CD2 4.18Å; Y137-F364 AromaticContact CD1-CE2 3.46Å; Y137-F364 HydrophobicContact CD1-CE2 3.46Å; Y137-F364 VanDerWaalsContact CD1-CE2 3.46Å; Y137-F364 HydrophobicContact CD1-CZ 4.24Å; Y137-F364 HydrophobicContact CE1-CD2 4.48Å; Y137-F364 HydrophobicContact CE1-CE2 4.04Å; Y137-F364 AromaticContact CG-CE2 3.82Å; Y137-F364 HydrophobicContact CG-CE2 3.82Å; Y137-F364 HydrophobicContact CG-CZ 4.25Å; F364-R366 HydrophobicContact CD2-CG 4.39Å; F364-R366 HydrophobicContact CE2-CG 3.79Å; F364-R366 PolarHBondContact O-N 2.85Å
365	E	71.3	Confident	56.6	Low	125 Å²	125	120 Å²	120	58%	0.584	57%	0.569	S	S	*	*			trans	-76.5	123.8	173.7	-166.9	171.8	177.5	0	0	109.4
366	R	78.2	Confident	54.2	Low	38 Å²	38	124.1 Å²	124.1	14%	0.143	59%	0.585	C	S	.	*			trans	-75.3	129	170.7	-79	179.7	167.9	80.3	-2.5	108.7	E133 Y137 D215 F364 H368	E133-R366 IonicContact OE1-CZ 3.21Å; E133-R366 VanDerWaalsContact OE1-CZ 3.25Å; E133-R366 IonicContact OE1-NH1 2.68Å; E133-R366 PolarHBondContact OE1-NH1 3.22Å; E133-R366 IonicContact OE1-NH2 2.8Å; E133-R366 PolarHBondContact OE1-NH2 3.19Å; Y137-R366 HydrophobicContact CD2-CG 4.3Å; Y137-R366 HydrophobicContact CE1-CG 4.36Å; Y137-R366 HydrophobicContact CE2-CG 3.97Å; D215-R366 IonicContact OD2-CZ 2.79Å; D215-R366 IonicContact OD2-NE 3.95Å; D215-R366 PolarHBondContact OD2-NE 3.17Å; D215-R366 IonicContact OD2-NH2 3.62Å; D215-R366 PolarHBondContact OD2-NH2 2.61Å; F364-R366 HydrophobicContact CD2-CG 4.39Å; F364-R366 HydrophobicContact CE2-CG 3.79Å; F364-R366 PolarHBondContact O-N 2.85Å; R366-H368 VanDerWaalsContact C-N 3.31Å; R366-H368 WeakPolarHBondContact CB-NE2 3.36Å; R366-H368 PolarHBondContact O-CD2 2.89Å; R366-H368 PolarHBondContact O-N 2.71Å
367	K	67.4	Low	51.9	Low	101 Å²	101	124.7 Å²	124.7	44%	0.439	60%	0.597	S	S	.	*			trans	-85.2	76.1	-180	-165.3	-176.6	176.5	-167.8	0	111.6	D51 T53 Y137	D51-K367 HydrophobicContact CB-CD 4.33Å; D51-K367 WeakPolarHBondContact OD2-CD 3.49Å; D51-K367 IonicContact OD2-NZ 3.8Å; D51-K367 PolarHBondContact OD2-NZ 2.99Å; T53-K367 HydrophobicContact CG2-CD 4.41Å; Y137-K367 PolarHBondContact OH-N 3.42Å
368	H	60	Low	49.9	Very low	81 Å²	81	131.8 Å²	131.8	38%	0.375	63%	0.625	S	S	.	*			trans	-58.1	141.2	168.6	-58.5	-90.2	0	0	0	110.1	S169 E170 R366 R370	S169-H368 PolarHBondContact O-CE1 3.32Å; S169-H368 PolarHBondContact O-ND1 3.14Å; E170-H368 PolarHBondContact O-ND1 2.91Å; R366-H368 VanDerWaalsContact C-N 3.31Å; R366-H368 WeakPolarHBondContact CB-NE2 3.36Å; R366-H368 PolarHBondContact O-CD2 2.89Å; R366-H368 PolarHBondContact O-N 2.71Å; H368-R370 VanDerWaalsContact C-N 3.34Å; H368-R370 PolarHBondContact O-N 3.17Å
369	S	42.2	Very low	48.5	Very low	44 Å²	44	131.9 Å²	131.9	31%	0.308	63%	0.626	S	S	.	*			trans	-72	83.8	-177.5	57.9	0	0	0	0	111.5	H182 V371	H182-S369 PolarHBondContact NE2-OG 3.02Å; S369-V371 VanDerWaalsContact C-N 3.26Å; S369-V371 PolarHBondContact O-N 2.97Å
370	R	36.1	Very low	46.8	Very low	213 Å²	213	135.6 Å²	135.6	80%	0.804	65%	0.649	S	S	*	*			trans	-64.7	79.1	175.3	-78.5	-175	170.6	148	3.4	112	H368 R372	H368-R370 VanDerWaalsContact C-N 3.34Å; H368-R370 PolarHBondContact O-N 3.17Å; R370-R372 PolarHBondContact O-N 2.88Å
371	V	35.5	Very low	45.4	Very low	90 Å²	90	132 Å²	132	55%	0.545	65%	0.648	S	S	.	*			trans	-59.4	120.7	157.8	179	0	0	0	0	107.1	S369 Y373	S369-V371 VanDerWaalsContact C-N 3.26Å; S369-V371 PolarHBondContact O-N 2.97Å; V371-Y373 PolarHBondContact O-N 2.91Å; V371-Y373 VanDerWaalsContact O-N 3.07Å
372	R	29.6	Very low	44	Very low	240 Å²	240	135.8 Å²	135.8	91%	0.906	66%	0.657	S	S	*	*			trans	-72.9	101.3	-175.7	-69.2	178.6	176.4	175.8	-2.3	110.6	R370	R370-R372 PolarHBondContact O-N 2.88Å
373	Y	29.4	Very low	42.2	Very low	217 Å²	217	140.1 Å²	140.1	85%	0.851	68%	0.681	S	S	*	*			trans	-111.8	128.3	156.2	-110.6	-96.2	0	0	0	110.5	V371	V371-Y373 PolarHBondContact O-N 2.91Å; V371-Y373 VanDerWaalsContact O-N 3.07Å
374	S	29.3	Very low	40.6	Very low	110 Å²	110	139.6 Å²	139.6	77%	0.769	68%	0.68	S	S	*	*			trans	-106.4	95.3	-175.8	162.1	0	0	0	0	110.1
375	S	27.8	Very low	38.6	Very low	115 Å²	115	144 Å²	144	80%	0.804	71%	0.711	S	S	*	*			trans	-103.3	110.5	168.7	40.5	0	0	0	0	110.6
376	R	31.4	Very low	36.6	Very low	236 Å²	236	146.2 Å²	146.2	89%	0.891	73%	0.727	S	S	*	*			trans	-81.7	115.7	170.3	-68.5	171.4	171.3	171.7	-5.4	109.7
377	V	31.5	Very low	34.4	Very low	144 Å²	144	149.8 Å²	149.8	87%	0.873	76%	0.755	S	S	*	*			trans	-138.1	151.3	152	-174.7	0	0	0	0	107.8
378	Q	30.8	Very low	32.6	Very low	186 Å²	186	150.8 Å²	150.8	87%	0.869	77%	0.774	S	S	*	*			trans	-96.8	165.5	-163.6	-69.3	161.8	-70	0	0	114.6
379	H	28.8	Very low	31.3	Very low	176 Å²	176	152.9 Å²	152.9	82%	0.815	80%	0.795	S	S	*	*			trans	-37.9	148	173.4	-80.1	-88.6	0	0	0	117.8
380	N	28.3	Very low	30.6	Very low	152 Å²	152	161 Å²	161	81%	0.813	82%	0.819	S	S	*	*			trans	136.6	136.7	142.5	-72.2	-21.9	0	0	0	110.5
381	S	28.1	Very low	30.3	Very low	113 Å²	113	157.6 Å²	157.6	79%	0.79	81%	0.812	S	S	*	*			cis	-139.2	167.9	7.4	-81.9	0	0	0	0	112.3
382	R	30.1	Very low	30	Very low	237 Å²	237	161.8 Å²	161.8	89%	0.894	83%	0.825	S	S	*	*			trans	-76.5	149.2	168.2	-60.2	172.8	175.4	174.3	-3.3	111
383	L	29.4	Very low	29.8	Very low	175 Å²	175	157.8 Å²	157.8	92%	0.916	82%	0.817	S	S	*	*				-172.1	165.8	123.8	-102.4	164.6	0	0	0	112.1
384	S	29.6	Very low	29.7	Very low	107 Å²	107	153.3 Å²	153.3	75%	0.748	81%	0.812	S	S	*	*			trans	-96.9	159.9	-169	-58.7	0	0	0	0	113.3
385	P	36.4	Very low	30.1	Very low	123 Å²	123	153.7 Å²	153.7	80%	0.799	81%	0.812	S	S	*	*			trans	-84.8	147.1	-173.2	33.7	-35.9	0	0	0	114.2
386	L	28.6	Very low	30.1	Very low	173 Å²	173	153 Å²	153	91%	0.906	81%	0.806	S	S	*	*			trans	-139.2	159.8	163.9	-85.5	174.6	0	0	0	109.8
387	P	31.7	Very low	29.9	Very low	113 Å²	113	150.7 Å²	150.7	73%	0.734	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-100.8	159.8	-149.1	37.8	-37.3	0	0	0	116.2
388	S	29.2	Very low	29.6	Very low	121 Å²	121	149.3 Å²	149.3	85%	0.846	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-74.1	131.6	177.2	-43.7	0	0	0	0	113.9
389	P	33.2	Very low	29.5	Very low	126 Å²	126	144 Å²	144	82%	0.818	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-90.8	147.1	161.3	34.1	-29.8	0	0	0	112.3
390	R	27.4	Very low	29.5	Very low	213 Å²	213	142.4 Å²	142.4	80%	0.804	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-75.4	168.4	-169.3	-57	165.2	162	-164.2	-1.6	115.9
391	H	29.8	Very low	30.3	Very low	143 Å²	143	140 Å²	140	66%	0.662	79%	0.793	S	S	*	*			trans	68.9	125.9	152.2	-59	-60.7	0	0	0	119.7
392	H	28.6	Very low	30.4	Very low	178 Å²	178	142.7 Å²	142.7	82%	0.824	79%	0.793	S	S	*	*				-160.2	-178.8	99.7	-105.5	-66.6	0	0	0	111.7
393	E	27.1	Very low	30.3	Very low	156 Å²	156	137.9 Å²	137.9	73%	0.729	79%	0.785	S	S	*	*			trans	-114.6	159.4	-164.9	-65.3	155.3	106.6	0	0	112.6
394	V	27.3	Very low	30.4	Very low	123 Å²	123	135.9 Å²	135.9	75%	0.745	78%	0.775	S	S	*	*			trans	38.1	140.6	132.5	179.9	0	0	0	0	118.8
395	P	37.2	Very low	30.4	Very low	118 Å²	118	135 Å²	135	77%	0.766	77%	0.768	S	S	*	*			cis	-120.3	173.9	26	9.1	18.3	0	0	0	114.5
396	S	27.3	Very low	30	Very low	99 Å²	99	134.1 Å²	134.1	69%	0.692	77%	0.765	S	S	*	*			cis	98.8	151.1	32.1	-48.7	0	0	0	0	114.6
397	E	27.2	Very low	29.9	Very low	188 Å²	188	131.3 Å²	131.3	88%	0.879	76%	0.76	S	S	*	*			trans	68.9	159.2	177.1	-59.2	-171.6	168.7	0	0	117.4
398	S	26.1	Very low	29.8	Very low	115 Å²	115	131.2 Å²	131.2	80%	0.804	76%	0.762	S	S	*	*			cis	-164.6	157.1	-39.7	62.5	0	0	0	0	108.6
399	G	27.2	Very low	30.6	Very low	75 Å²	75	131.1 Å²	131.1	77%	0.773	76%	0.758	S	S	*	*			trans	155.8	96.7	172.2	0	0	0	0	0	118.1
400	V	30	Very low	31.1	Very low	142 Å²	142	130 Å²	130	86%	0.861	75%	0.751	S	S	*	*			trans	-149.8	137.6	167.4	-177.5	0	0	0	0	103.7
401	P	44.4	Very low	30.9	Very low	102 Å²	102	130.7 Å²	130.7	66%	0.662	75%	0.754	S	S	*	*				-137.7	-157.6	50.8	38.1	-13.7	0	0	0	112.8
402	E	31.3	Very low	30.8	Very low	169 Å²	169	134 Å²	134	79%	0.79	76%	0.761	S	S	*	*			cis	-158.1	-173.2	13.8	-152.3	143.1	-148.9	0	0	112.9
403	D	27.5	Very low	30.6	Very low	136 Å²	136	132.3 Å²	132.3	73%	0.727	75%	0.753	S	S	*	*			trans	72.6	149.8	175	-76.6	-2.2	0	0	0	118.4
404	L	31.3	Very low	30.5	Very low	134 Å²	134	135.2 Å²	135.2	70%	0.702	76%	0.757	S	S	*	*			cis	-154.8	150.4	-9.7	-121.6	166.3	0	0	0	113.2
405	S	29.3	Very low	30.4	Very low	88 Å²	88	136.2 Å²	136.2	62%	0.615	75%	0.752	S	S	*	*			trans	44.6	111.2	147.9	64.3	0	0	0	0	124.1
406	S	29.1	Very low	29.8	Very low	104 Å²	104	137 Å²	137	73%	0.727	75%	0.745	S	S	*	*				67.2	131.3	120.4	70.3	0	0	0	0	125
407	S	26.6	Very low	29.6	Very low	114 Å²	114	137.1 Å²	137.1	80%	0.797	75%	0.746	S	S	*	*			trans	70.1	128.5	141.9	59	0	0	0	0	122.3
408	S	28.6	Very low	29.6	Very low	112 Å²	112	134 Å²	134	78%	0.783	74%	0.739	S	S	*	*			trans	-84.2	179.9	159.9	-33.5	0	0	0	0	111
409	P	46.2	Very low	29.6	Very low	118 Å²	118	135.3 Å²	135.3	77%	0.766	74%	0.736	S	S	*	*			cis	-128.8	-136.7	0	41.4	-20.3	0	0	0	109.9
410	P	43.2	Very low	29.5	Very low	103 Å²	103	138.3 Å²	138.3	67%	0.669	74%	0.739	S	S	*	*			cis	-135.1	-179.7	-25.9	39.3	-20.8	0	0	0	116.3
411	R	24.3	Very low	29.3	Very low	228 Å²	228	136.6 Å²	136.6	86%	0.86	73%	0.734	S	S	*	*			trans	53.1	112.4	143.4	-77.4	177.2	177.1	-149	1.2	123.4
412	R	26.7	Very low	28.4	Very low	213 Å²	213	136.7 Å²	136.7	80%	0.804	74%	0.743	S	S	*	*				60.9	146.2	120.3	-75.6	-164	179.1	-160.8	4.1	124.1
413	H	25	Very low	28.2	Very low	142 Å²	142	137.8 Å²	137.8	66%	0.657	75%	0.748	S	S	*	*			trans	74.9	152	158	-74	-59.3	0	0	0	116.4
414	W	24.6	Very low	28.2	Very low	217 Å²	217	138.9 Å²	138.9	82%	0.822	75%	0.754	S	S	*	*			cis	-141.4	145.2	35.8	-104.2	-36.1	0	0	0	113.4
415	K	24.7	Very low	28.5	Very low	144 Å²	144	138.1 Å²	138.1	63%	0.626	76%	0.757	S	S	*	*				71.7	151.3	94.4	-103.8	-174.3	179.7	-129.2	0	114.3
416	E	24.3	Very low	28.3	Very low	134 Å²	134	138.5 Å²	138.5	63%	0.626	77%	0.766	S	S	*	*			cis	-156.2	159.7	-1.1	-160.6	135.5	-124.8	0	0	107.8
417	S	25	Very low	28.3	Very low	101 Å²	101	137.7 Å²	137.7	71%	0.706	77%	0.766	S	S	*	*				171.1	135.2	74.3	52.2	0	0	0	0	111
418	V	26.1	Very low	28.4	Very low	123 Å²	123	136.9 Å²	136.9	75%	0.745	76%	0.76	S	S	*	*				73.3	130.5	102.6	171.5	0	0	0	0	114
419	L	25.8	Very low	28.5	Very low	142 Å²	142	142.5 Å²	142.5	74%	0.743	76%	0.764	S	S	*	*			cis	-154.1	166.1	-12.9	-103.1	173.7	0	0	0	105.7
420	V	25.9	Very low	27.6	Very low	138 Å²	138	143.4 Å²	143.4	84%	0.836	77%	0.767	S	S	*	*				-164.1	151.5	62.3	166.4	0	0	0	0	109.3
421	S	25.7	Very low	26.9	Very low	106 Å²	106	142.6 Å²	142.6	74%	0.741	76%	0.764	S	S	*	*			trans	-94.8	159.4	-176.6	-38.2	0	0	0	0	115.1
422	A	25.4	Very low	27	Very low	104 Å²	104	140.6 Å²	140.6	86%	0.86	76%	0.761	S	S	*	*				-177.6	153.6	127.5	0	0	0	0	0	111.8
423	E	27.6	Very low	26.9	Very low	193 Å²	193	138.5 Å²	138.5	90%	0.902	76%	0.763	S	S	*	*			trans	-119.4	151.9	177.2	-65.6	173	105.4	0	0	111.5
424	D	25.8	Very low	26.9	Very low	158 Å²	158	136.8 Å²	136.8	85%	0.845	77%	0.767	S	S	*	*			trans	60.9	177.8	155.9	-107.6	11.1	0	0	0	118.2
425	P	37.7	Very low	27.7	Very low	119 Å²	119	131.7 Å²	131.7	77%	0.773	76%	0.762	S	S	*	*			cis	-125.5	-151.1	-4.7	41.5	-23.9	0	0	0	113.4
426	A	25.8	Very low	27.8	Very low	95 Å²	95	131.5 Å²	131.5	79%	0.785	77%	0.767	S	S	*	*			trans	-99.6	165	-166.6	0	0	0	0	0	117.9
427	A	28.3	Very low	28	Very low	88 Å²	88	133.6 Å²	133.6	73%	0.727	78%	0.777	S	S	*	*			trans	75.4	99.1	142.9	0	0	0	0	0	123.5
428	S	28.9	Very low	28.2	Very low	96 Å²	96	137.3 Å²	137.3	67%	0.671	78%	0.783	S	S	*	*				101.3	151.5	111.3	80.6	0	0	0	0	123.3
429	R	31.6	Very low	28.2	Very low	231 Å²	231	143.1 Å²	143.1	87%	0.872	79%	0.791	S	S	*	*			trans	78.4	156.9	165.9	-49.1	174.4	-169.5	-162.2	-0.9	115.3
430	T	26.8	Very low	28.2	Very low	136 Å²	136	143.8 Å²	143.8	83%	0.834	80%	0.796	S	S	*	*			cis	-128.8	-150.3	12	57.7	0	0	0	0	112.4
431	S	28.2	Very low	28.2	Very low	86 Å²	86	141.2 Å²	141.2	60%	0.601	80%	0.797	S	S	*	*				-158.1	166.6	-100	67.6	0	0	0	0	114.6
432	K	28.2	Very low	28.3	Very low	187 Å²	187	144.6 Å²	144.6	81%	0.813	80%	0.801	S	S	*	*			trans	79.9	146.8	166.7	-56.8	169.1	-174.4	178.8	0	115.5
433	M	24.2	Very low	28.4	Very low	169 Å²	169	147.9 Å²	147.9	83%	0.833	80%	0.798	S	S	*	*			cis	-141.9	169.5	37.7	-155.3	71.4	79.2	0	0	114.7
434	S	24.9	Very low	28.4	Very low	106 Å²	106	145.4 Å²	145.4	74%	0.741	79%	0.791	S	S	*	*			trans	-86.1	-170.1	177.5	-37.3	0	0	0	0	112.3
435	P	41.6	Very low	28.4	Very low	110 Å²	110	147.2 Å²	147.2	71%	0.714	79%	0.786	S	S	*	*			cis	-145.7	175.6	14.4	44.7	-24.1	0	0	0	120.2
436	N	26.8	Very low	27.8	Very low	139 Å²	139	149.8 Å²	149.8	74%	0.743	79%	0.785	S	S	*	*			trans	31.4	127.9	147.9	-67.9	2.3	0	0	0	122.4
437	H	28.1	Very low	27.8	Very low	179 Å²	179	151.8 Å²	151.8	83%	0.829	78%	0.778	S	S	*	*				-164.1	143.7	87.5	-116.6	-79.4	0	0	0	114.9
438	Q	28.7	Very low	27.7	Very low	178 Å²	178	152.2 Å²	152.2	83%	0.832	78%	0.776	S	S	*	*			trans	-92.5	151.4	156.1	-69.1	176.7	-16.7	0	0	109.8
439	R	25.8	Very low	27.6	Very low	245 Å²	245	154.3 Å²	154.3	93%	0.925	79%	0.785	S	S	*	*			trans	-156.5	144.5	143.7	-162.5	167.3	-178.9	162.4	1.7	112.1
440	N	26.6	Very low	27.4	Very low	157 Å²	157	148.9 Å²	148.9	84%	0.84	78%	0.782	S	S	*	*			trans	-73.1	157.6	175.2	-60.9	-22.9	0	0	0	112.8
441	G	26.1	Very low	27.5	Very low	83 Å²	83	149.9 Å²	149.9	86%	0.856	78%	0.775	S	S	*	*			trans	-147.6	101.7	162	0	0	0	0	0	109.3
442	H	28.3	Very low	27.8	Very low	178 Å²	178	151.4 Å²	151.4	82%	0.824	78%	0.783	S	S	*	*			trans	-103.7	-177.4	176.9	-155	-95.3	0	0	0	109.2
443	E	27.2	Very low	27.7	Very low	173 Å²	173	148.9 Å²	148.9	81%	0.808	77%	0.774	S	S	*	*			trans	71.9	152.7	171.7	-59.8	-172.7	150.5	0	0	117.3
444	D	26.9	Very low	27.8	Very low	141 Å²	141	148.7 Å²	148.7	75%	0.754	77%	0.771	S	S	*	*			cis	-164.8	-180	-39.7	-148.9	-36.6	0	0	0	108.4
445	R	26.9	Very low	27.9	Very low	196 Å²	196	147.4 Å²	147.4	74%	0.74	76%	0.762	S	S	*	*			trans	82.4	116	145.6	-158.6	167.5	-176.3	154.3	-0.9	118.8
446	K	25.1	Very low	27.2	Very low	173 Å²	173	153.7 Å²	153.7	75%	0.752	77%	0.771	S	S	*	*				19.5	151.8	125.2	-48.8	-175	-175.4	177.1	0	118
447	E	25.2	Very low	27	Very low	136 Å²	136	150.3 Å²	150.3	64%	0.636	77%	0.769	S	S	*	*			cis	-168.5	175.3	47.1	-152.5	127.9	-123.1	0	0	113.8
448	S	25.9	Very low	26.9	Very low	97 Å²	97	147.5 Å²	147.5	68%	0.678	77%	0.77	S	S	*	*			trans	33.6	116.4	156.5	56.7	0	0	0	0	120.3
449	V	27.5	Very low	26.8	Very low	141 Å²	141	144.4 Å²	144.4	86%	0.855	76%	0.763	S	S	*	*				64.3	113	66.5	179.1	0	0	0	0	114.8
450	S	25.7	Very low	26.8	Very low	117 Å²	117	144.6 Å²	144.6	82%	0.818	76%	0.764	S	S	*	*			trans	-169.2	136.3	136.2	20.4	0	0	0	0	111.8
451	K	29.6	Very low	26.7	Very low	157 Å²	157	145.3 Å²	145.3	68%	0.683	76%	0.762	S	S	*	*			trans	-90.2	175.8	150.8	-56.8	176.3	170	175.3	0	108.2	E453	K451-E453 WeakPolarHBondContact CD-OE1 3.49Å; K451-E453 IonicContact NZ-OE1 3.25Å; K451-E453 PolarHBondContact NZ-OE1 3.16Å
452	P	34	Very low	26.6	Very low	118 Å²	118	150 Å²	150	77%	0.766	76%	0.764	S	S	*	*				-122.7	176.1	68.1	40	-28.9	0	0	0	111.4
453	E	26.3	Very low	26.2	Very low	134 Å²	134	146.4 Å²	146.4	63%	0.626	76%	0.759	S	S	*	*			cis	67.1	143.1	33.9	-80.8	154.3	-154	0	0	113	K451	K451-E453 WeakPolarHBondContact CD-OE1 3.49Å; K451-E453 IonicContact NZ-OE1 3.25Å; K451-E453 PolarHBondContact NZ-OE1 3.16Å
454	E	27.5	Very low	27.3	Very low	165 Å²	165	143.6 Å²	143.6	77%	0.771	76%	0.756	S	S	*	*			cis	-157.2	161.9	9.7	-148.2	-158.1	-178.6	0	0	114.1
455	S	26.5	Very low	27.1	Very low	78 Å²	78	145.7 Å²	145.7	55%	0.545	76%	0.761	S	S	.	*			trans	84.4	154.2	139.6	89	0	0	0	0	123.1
456	R	26	Very low	27.1	Very low	242 Å²	242	144.8 Å²	144.8	91%	0.913	77%	0.765	S	S	*	*			trans	67.1	135.1	158.9	-59.1	164.3	-163.8	-151.2	-0	118.6
457	G	23.1	Very low	28	Very low	68 Å²	68	141.6 Å²	141.6	70%	0.701	76%	0.762	S	S	*	*			cis	139.3	137.6	-13.6	0	0	0	0	0	114.5
458	S	26.7	Very low	28	Very low	121 Å²	121	140 Å²	140	85%	0.846	77%	0.766	S	S	*	*			trans	64.5	160.7	164.8	-66	0	0	0	0	118
459	T	25.2	Very low	28.1	Very low	112 Å²	112	144.5 Å²	144.5	69%	0.687	78%	0.776	S	S	*	*			cis	-164	145	-29.4	-74.8	0	0	0	0	107.2
460	R	25.9	Very low	28	Very low	249 Å²	249	141.1 Å²	141.1	94%	0.94	77%	0.77	S	S	*	*			trans	-164.3	141.5	139.4	-116.6	173.5	-179.3	-178.4	-1.2	114
461	Q	25.1	Very low	28	Very low	172 Å²	172	142.6 Å²	142.6	80%	0.804	77%	0.774	S	S	*	*			trans	-88.5	159.9	169.5	-59.4	148.9	-73.9	0	0	109.7
462	M	23.7	Very low	28	Very low	182 Å²	182	139.2 Å²	139.2	90%	0.897	78%	0.775	S	S	*	*				-170.8	153.4	114.7	-100.5	-177.2	79.8	0	0	111.7
463	S	20.4	Very low	29.1	Very low	102 Å²	102	138.4 Å²	138.4	71%	0.713	77%	0.769	S	S	*	*			trans	-141	-178.7	169	-46.3	0	0	0	0	106
464	P	49.5	Very low	29.1	Very low	115 Å²	115	140.6 Å²	140.6	75%	0.747	78%	0.779	S	S	*	*			cis	-122.9	-166.4	-15.2	40.2	-24.4	0	0	0	111
465	E	22.9	Very low	29.2	Very low	185 Å²	185	137.9 Å²	137.9	86%	0.864	78%	0.778	S	S	*	*				-174.6	157.1	124.5	-104.3	172.7	-173.3	0	0	113.8
466	H	27.8	Very low	30.2	Very low	176 Å²	176	139.5 Å²	139.5	82%	0.815	79%	0.787	S	S	*	*			trans	-156.1	171.4	-175.8	-118.4	-38.1	0	0	0	107.3
467	P	43.2	Very low	31.5	Very low	106 Å²	106	133.3 Å²	133.3	69%	0.688	78%	0.778	S	S	*	*			cis	-115.6	-118.1	34.6	32.7	-11.6	0	0	0	114.2
468	S	26	Very low	32.7	Very low	104 Å²	104	135.2 Å²	135.2	73%	0.727	78%	0.778	S	S	*	*			cis	-142.6	171.9	15.4	-71.3	0	0	0	0	112.1
469	Q	27.7	Very low	32.8	Very low	191 Å²	191	135.3 Å²	135.3	89%	0.893	78%	0.779	S	S	*	*			trans	-94.1	167.5	169.8	-60.2	130.6	-33.8	0	0	111.2
470	G	24.2	Very low	32.7	Very low	70 Å²	70	133.4 Å²	133.4	72%	0.722	78%	0.782	S	S	*	*			cis	-163.1	-139.2	0.1	0	0	0	0	0	108.9
471	V	27.4	Very low	32.9	Very low	148 Å²	148	130.9 Å²	130.9	90%	0.897	78%	0.78	S	S	*	*			cis	-155	174.9	-4.9	-164	0	0	0	0	107.1
472	A	27.8	Very low	34	Very low	86 Å²	86	127.2 Å²	127.2	71%	0.711	77%	0.772	S	S	*	*			trans	-147.1	-171	175.8	0	0	0	0	0	110.3
473	P	58.4	Low	34.3	Very low	100 Å²	100	127.1 Å²	127.1	65%	0.649	77%	0.769	S	S	*	*			cis	-128	-158.6	-17.1	42.2	-25.6	0	0	0	112.7
474	H	27.1	Very low	34.6	Very low	181 Å²	181	125.8 Å²	125.8	84%	0.838	77%	0.77	S	S	*	*			trans	144.2	159.9	140.5	-76.2	-65.1	0	0	0	117.1
475	S	28.1	Very low	33.5	Very low	107 Å²	107	128.2 Å²	128.2	75%	0.748	77%	0.774	S	S	*	*			trans	-168.1	179.9	178.3	61.8	0	0	0	0	108.8
476	P	47.8	Very low	33.6	Very low	113 Å²	113	124.8 Å²	124.8	73%	0.734	77%	0.765	S	S	*	*			cis	-124	-119.5	-15.4	34.6	-12.9	0	0	0	112.7
477	P	53	Low	33.5	Very low	112 Å²	112	124.1 Å²	124.1	73%	0.727	77%	0.768	S	S	*	*				-96.4	-138.8	-93.6	39	-19.1	0	0	0	112.7
478	P	48.8	Very low	32.7	Very low	107 Å²	107	122 Å²	122	70%	0.695	77%	0.765	S	S	*	*			cis	-140.9	-178.8	-17.9	41.6	-22.3	0	0	0	118.5
479	S	28.1	Very low	32.6	Very low	123 Å²	123	126 Å²	126	86%	0.86	77%	0.772	S	S	*	*			trans	81.7	144.3	143	74.2	0	0	0	0	124.3
480	G	24.6	Very low	32.5	Very low	73 Å²	73	126.4 Å²	126.4	75%	0.753	77%	0.771	S	S	*	*			trans	152.7	119.6	163.2	0	0	0	0	0	118.3
481	H	28.9	Very low	32.4	Very low	195 Å²	195	127.5 Å²	127.5	90%	0.903	77%	0.767	S	S	*	*			trans	-139.9	-165.4	170	-89	-50.7	0	0	0	107.8
482	P	49.2	Very low	32.2	Very low	96 Å²	96	127.4 Å²	127.4	62%	0.623	76%	0.761	S	S	*	*			cis	-140.9	-167.9	-3.4	21.9	7.4	0	0	0	116.6
483	H	29.6	Very low	31.9	Very low	180 Å²	180	131.7 Å²	131.7	83%	0.833	77%	0.766	S	S	*	*			trans	82.2	154.8	156.6	-60.8	-52.6	0	0	0	120.6
484	G	26.2	Very low	30.2	Very low	73 Å²	73	134.4 Å²	134.4	75%	0.753	78%	0.775	S	S	*	*			cis	-147.1	-151.9	14.5	0	0	0	0	0	118.3
485	M	26.1	Very low	30	Very low	166 Å²	166	130.8 Å²	130.8	82%	0.818	77%	0.769	S	S	*	*			trans	-125.8	138.1	-152.1	-77.9	172.2	59.4	0	0	114.4
486	V	25.8	Very low	29.8	Very low	113 Å²	113	129.8 Å²	129.8	69%	0.685	76%	0.761	S	S	*	*				89.7	147.3	97	175.9	0	0	0	0	117.1
487	N	26.6	Very low	28.8	Very low	163 Å²	163	133.5 Å²	133.5	87%	0.872	77%	0.769	S	S	*	*			trans	78.6	146	172.5	-74.5	-21.6	0	0	0	119
488	G	24.6	Very low	27.4	Very low	60 Å²	60	133.3 Å²	133.3	62%	0.619	77%	0.77	S	S	*	*			cis	172.3	177.8	-7.3	0	0	0	0	0	115.5
489	Q	25.3	Very low	26.3	Very low	189 Å²	189	135.4 Å²	135.4	88%	0.883	77%	0.774	S	S	*	*			trans	70.7	130.8	171.5	-65.6	166.1	-65.9	0	0	116.3
490	K	24.4	Very low	26.3	Very low	199 Å²	199	137 Å²	137	87%	0.865	77%	0.774	S	S	*	*				70.9	138.4	64.1	-79.8	-170.1	174.7	-174.9	0	113
491	S	22.7	Very low	26.3	Very low	93 Å²	93	136.9 Å²	136.9	65%	0.65	77%	0.772	S	S	*	*			cis	-163.5	159.2	14.3	-147.9	0	0	0	0	113.6
492	L	22.4	Very low	26.2	Very low	147 Å²	147	140 Å²	140	77%	0.77	78%	0.776	S	S	*	*			trans	56.7	167.8	157.9	-96.7	56.2	0	0	0	118
493	E	21.8	Very low	25	Very low	175 Å²	175	143.4 Å²	143.4	82%	0.818	78%	0.783	S	S	*	*			cis	-140	-154.7	13.5	-150.8	153.8	-126.8	0	0	113.8
494	L	23	Very low	25.3	Very low	158 Å²	158	140.5 Å²	140.5	83%	0.827	78%	0.78	S	S	*	*			trans	-125.8	173	-154.7	-129.9	75.7	0	0	0	116.5
495	C	22.8	Very low	25.4	Very low	105 Å²	105	141.6 Å²	141.6	71%	0.709	78%	0.776	S	S	*	*			trans	82.3	102.3	151.6	-85.1	0	0	0	0	123.2
496	S	24.5	Very low	26.2	Very low	85 Å²	85	139.3 Å²	139.3	59%	0.594	77%	0.774	S	S	*	*				46.6	130.4	119.4	60.3	0	0	0	0	123.1
497	H	26.1	Very low	26.2	Very low	192 Å²	192	141.4 Å²	141.4	89%	0.889	78%	0.781	S	S	*	*				-169.4	-168.2	110	-98.5	-66.4	0	0	0	111.5
498	S	24	Very low	26.2	Very low	108 Å²	108	140.6 Å²	140.6	76%	0.755	78%	0.782	S	S	*	*			trans	-150.4	171.7	-157.8	-163	0	0	0	0	115.6
499	L	26.9	Very low	26.1	Very low	150 Å²	150	142.9 Å²	142.9	79%	0.785	79%	0.789	S	S	*	*			trans	91.1	149.7	161	-70.4	165	0	0	0	122.4
500	D	27.6	Very low	27.1	Very low	158 Å²	158	138.9 Å²	138.9	85%	0.845	78%	0.779	S	S	*	*			trans	60.1	142.7	167.1	-60.7	-18.7	0	0	0	121.5
501	G	25.2	Very low	27.1	Very low	69 Å²	69	136.5 Å²	136.5	71%	0.711	78%	0.775	S	S	*	*			cis	171.5	-178.4	-7	0	0	0	0	0	115.4
502	R	25	Very low	27.4	Very low	260 Å²	260	138.4 Å²	138.4	98%	0.981	78%	0.777	S	S	*	*			trans	84.7	158.1	170.4	-102	176	178.4	165.6	-0.1	121.7
503	Q	25.2	Very low	27.6	Very low	169 Å²	169	138.4 Å²	138.4	79%	0.79	78%	0.778	S	S	*	*			trans	-137.8	-178.6	-170.2	-110.9	-159.5	24.6	0	0	109.5
504	P	36	Very low	27.9	Very low	118 Å²	118	137.5 Å²	137.5	77%	0.766	78%	0.778	S	S	*	*			cis	-142.8	-168.1	25.3	43.4	-21.8	0	0	0	117.9
505	S	27.2	Very low	28	Very low	96 Å²	96	134.8 Å²	134.8	67%	0.671	78%	0.779	S	S	*	*			trans	-87.5	178.9	-175.4	-40.3	0	0	0	0	115.3
506	P	42.4	Very low	28.1	Very low	119 Å²	119	135.8 Å²	135.8	77%	0.773	79%	0.786	S	S	*	*				-151.5	140.9	82.2	38.5	-18.6	0	0	0	119.7
507	L	27.2	Very low	28.2	Very low	156 Å²	156	135.6 Å²	135.6	82%	0.817	79%	0.785	S	S	*	*			trans	35.9	117.2	136.3	-54.8	174.3	0	0	0	122.7
508	T	26.2	Very low	28.4	Very low	146 Å²	146	133 Å²	133	90%	0.896	78%	0.776	S	S	*	*				-171.8	160.2	101.9	19.1	0	0	0	0	112.3
509	S	23.3	Very low	28.6	Very low	109 Å²	109	136.2 Å²	136.2	76%	0.762	77%	0.771	S	S	*	*			trans	-140.9	-173.4	-172.2	-31.2	0	0	0	0	109.7
510	P	45.7	Very low	28.9	Very low	105 Å²	105	133.5 Å²	133.5	68%	0.682	76%	0.761	S	S	*	*			cis	-136.4	-158.2	-10.3	28	-2.3	0	0	0	113.4
511	L	25.1	Very low	29.3	Very low	148 Å²	148	132.7 Å²	132.7	78%	0.775	76%	0.757	S	S	*	*			trans	83.3	142.8	159.6	-43.6	-179.9	0	0	0	117.7
512	L	28.3	Very low	29.9	Very low	133 Å²	133	134.6 Å²	134.6	70%	0.696	75%	0.75	S	S	*	*			cis	-158.6	149	-13.3	-116.5	172.5	0	0	0	112.4
513	N	27.2	Very low	30.2	Very low	147 Å²	147	127.1 Å²	127.1	79%	0.786	73%	0.727	S	S	*	*			trans	52.7	109	161.5	-78.2	8.8	0	0	0	121.4
514	D	26.1	Very low	30.5	Very low	156 Å²	156	122.3 Å²	122.3	83%	0.834	71%	0.706	S	S	*	*			trans	-60.5	155.7	158.5	-61.9	-79.4	0	0	0	114.3	C516	D514-C516 PolarHBondContact O-N 3.27Å
515	A	26.5	Very low	30.5	Very low	102 Å²	102	121.8 Å²	121.8	84%	0.843	69%	0.694	S	S	*	*			trans	-73.4	106.1	159.9	0	0	0	0	0	109.7	S517	A515-S517 PolarHBondContact O-N 3.09Å; A515-S517 VanDerWaalsContact O-N 3.13Å
516	C	25	Very low	30.9	Very low	125 Å²	125	123 Å²	123	85%	0.845	70%	0.697	S	S	*	*			trans	-65.9	112.3	176.2	-168.6	0	0	0	0	110.5	D514 I518	D514-C516 PolarHBondContact O-N 3.27Å; C516-I518 PolarHBondContact O-N 3.31Å
517	S	26.4	Very low	30.6	Very low	82 Å²	82	125.3 Å²	125.3	57%	0.573	69%	0.69	S	S	*	*			trans	-64.4	126.4	177.1	60.6	0	0	0	0	110.9	A515 R519	A515-S517 PolarHBondContact O-N 3.09Å; A515-S517 VanDerWaalsContact O-N 3.13Å; S517-R519 PolarHBondContact O-N 3.2Å
518	I	29.6	Very low	31.3	Very low	137 Å²	137	128.3 Å²	128.3	70%	0.703	69%	0.691	S	S	*	*			trans	-62.5	109.1	167.6	-60.5	175.3	0	0	0	107.8	C516	C516-I518 PolarHBondContact O-N 3.31Å
519	R	28.4	Very low	32.1	Very low	176 Å²	176	126.2 Å²	126.2	66%	0.664	67%	0.669	S	S	*	*			trans	-86.8	138.7	170.3	-67.8	-170.4	-177.7	-178	1.5	109.8	S517 D521 D524	S517-R519 PolarHBondContact O-N 3.2Å; R519-D521 PolarHBondContact O-N 2.94Å; R519-D524 VanDerWaalsContact CD-OD2 3.23Å; R519-D524 WeakPolarHBondContact CD-OD2 3.1Å; R519-D524 IonicContact NH1-OD1 2.85Å; R519-D524 IonicContact NH1-OD2 3.02Å; R519-D524 PolarHBondContact NH1-OD2 2.87Å; R519-D524 VanDerWaalsContact NH1-OD2 3.13Å
520	T	32.3	Very low	33	Very low	92 Å²	92	132.8 Å²	132.8	56%	0.564	68%	0.677	S	S	*	*			trans	-71.1	120.5	170.8	42.5	0	0	0	0	110.2	D522 E523	T520-D522 PolarHBondContact O-N 2.86Å; T520-D522 VanDerWaalsContact O-N 3.17Å; T520-E523 PolarHBondContact O-N 2.79Å
521	D	35.9	Very low	33.2	Very low	141 Å²	141	131.6 Å²	131.6	75%	0.754	66%	0.662	S	S	*	*	H	α-helix	trans	-58.2	-28.9	-178.5	-155.1	31.4	0	0	0	112.6	R519 E523 E525	R519-D521 PolarHBondContact O-N 2.94Å; D521-E523 VanDerWaalsContact C-N 3.26Å; D521-E523 PolarHBondContact O-N 2.89Å; D521-E525 PolarHBondContact O-N 3.04Å
522	D	38.2	Very low	34.8	Very low	109 Å²	109	125.6 Å²	125.6	58%	0.583	63%	0.631	S	S	*	*	H	α-helix	trans	-66	-14.5	172.2	-89	-45.3	0	0	0	113.9	T520 V526 K989	T520-D522 PolarHBondContact O-N 2.86Å; T520-D522 VanDerWaalsContact O-N 3.17Å; D522-V526 VanDerWaalsContact O-CG2 3.28Å; D522-V526 WeakPolarHBondContact O-CG2 3.16Å; D522-K989 IonicContact OD1-NZ 3.21Å; D522-K989 PolarHBondContact OD1-NZ 3.45Å; D522-K989 IonicContact OD2-NZ 2.75Å; D522-K989 PolarHBondContact OD2-NZ 3.31Å
523	E	31.6	Very low	36.4	Very low	103 Å²	103	126.1 Å²	126.1	48%	0.481	64%	0.64	S	S	.	*	H	α-helix	trans	-90.2	-39.5	174.5	-94.6	-121.5	130.4	0	0	113.3	T520 D521 V526 R527	T520-E523 PolarHBondContact O-N 2.79Å; D521-E523 VanDerWaalsContact C-N 3.26Å; D521-E523 PolarHBondContact O-N 2.89Å; E523-V526 PolarHBondContact O-N 2.64Å; E523-R527 PolarHBondContact O-N 3.15Å; E523-R527 IonicContact OE1-CZ 2.77Å; E523-R527 IonicContact OE1-NH1 3.29Å; E523-R527 PolarHBondContact OE1-NH1 2.86Å; E523-R527 IonicContact OE1-NH2 2.82Å; E523-R527 IonicContact OE2-CZ 2.64Å; E523-R527 IonicContact OE2-NH1 3.19Å; E523-R527 PolarHBondContact OE2-NH1 3Å
524	D	31.1	Very low	39	Very low	68 Å²	68	121.9 Å²	121.9	36%	0.364	62%	0.617	S	S	.	*	H	α-helix	trans	-79.4	-23	-174.2	-99.2	-47.9	0	0	0	112.6	R519	R519-D524 VanDerWaalsContact CD-OD2 3.23Å; R519-D524 WeakPolarHBondContact CD-OD2 3.1Å; R519-D524 IonicContact NH1-OD1 2.85Å; R519-D524 IonicContact NH1-OD2 3.02Å; R519-D524 PolarHBondContact NH1-OD2 2.87Å; R519-D524 VanDerWaalsContact NH1-OD2 3.13Å
525	E	36.2	Very low	42	Very low	107 Å²	107	120.3 Å²	120.3	50%	0.5	60%	0.6	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.9	-38	166	-82.2	-128	107.3	0	0	112.2	D521 R527 K529	D521-E525 PolarHBondContact O-N 3.04Å; E525-R527 PolarHBondContact O-N 3.19Å; E525-K529 IonicContact OE1-NZ 2.69Å; E525-K529 PolarHBondContact OE1-NZ 2.95Å
526	V	37	Very low	45.1	Very low	122 Å²	122	115.4 Å²	115.4	74%	0.739	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-32.2	-174.8	174.5	0	0	0	0	112.2	D522 E523	D522-V526 VanDerWaalsContact O-CG2 3.28Å; D522-V526 WeakPolarHBondContact O-CG2 3.16Å; E523-V526 PolarHBondContact O-N 2.64Å
527	R	35.6	Very low	48.3	Very low	168 Å²	168	109.5 Å²	109.5	63%	0.634	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-7.4	-174	-85.2	-166.8	176.9	95.2	3.5	116.6	E523 E525	E523-R527 PolarHBondContact O-N 3.15Å; E523-R527 IonicContact OE1-CZ 2.77Å; E523-R527 IonicContact OE1-NH1 3.29Å; E523-R527 PolarHBondContact OE1-NH1 2.86Å; E523-R527 IonicContact OE1-NH2 2.82Å; E523-R527 IonicContact OE2-CZ 2.64Å; E523-R527 IonicContact OE2-NH1 3.19Å; E523-R527 PolarHBondContact OE2-NH1 3Å; E525-R527 PolarHBondContact O-N 3.19Å
528	R	40.9	Very low	51.6	Low	219 Å²	219	106.9 Å²	106.9	83%	0.826	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.9	6.4	-171.4	-76.3	-168.7	178.2	162.4	1.8	119.3
529	K	42.7	Very low	54.7	Low	102 Å²	102	100.4 Å²	100.4	44%	0.443	47%	0.465	S	S	.	.			trans	-128.1	95.6	173.1	-63.6	178.1	-161.1	151.9	0	112.9	E525 F531	E525-K529 IonicContact OE1-NZ 2.69Å; E525-K529 PolarHBondContact OE1-NZ 2.95Å; K529-F531 HydrophobicContact CB-CD2 3.87Å; K529-F531 HydrophobicContact CB-CE2 3.59Å; K529-F531 HydrophobicContact CB-CZ 4.03Å; K529-F531 HydrophobicContact CD-CE1 4.22Å; K529-F531 HydrophobicContact CD-CE2 3.7Å; K529-F531 HydrophobicContact CD-CZ 3.41Å; K529-F531 VanDerWaalsContact CD-CZ 3.41Å; K529-F531 HydrophobicContact CG-CE2 4.29Å; K529-F531 HydrophobicContact CG-CZ 4.31Å; K529-F531 PolarHBondContact O-N 3.39Å
530	R	42.3	Very low	57.9	Low	246 Å²	246	92 Å²	92	93%	0.928	43%	0.433	S	S	*	.			trans	-73.7	80.5	156.9	-86.5	-174.9	168.4	172	-3.7	108.8
531	F	51.1	Low	60.9	Low	81 Å²	81	89 Å²	89	36%	0.355	41%	0.412	S	S	.	.			trans	-59.7	144.4	163.6	-66.4	-76.2	0	0	0	109.6	K529 T533 Y537	K529-F531 HydrophobicContact CB-CD2 3.87Å; K529-F531 HydrophobicContact CB-CE2 3.59Å; K529-F531 HydrophobicContact CB-CZ 4.03Å; K529-F531 HydrophobicContact CD-CE1 4.22Å; K529-F531 HydrophobicContact CD-CE2 3.7Å; K529-F531 HydrophobicContact CD-CZ 3.41Å; K529-F531 VanDerWaalsContact CD-CZ 3.41Å; K529-F531 HydrophobicContact CG-CE2 4.29Å; K529-F531 HydrophobicContact CG-CZ 4.31Å; K529-F531 PolarHBondContact O-N 3.39Å; F531-T533 PolarHBondContact O-N 3.38Å; F531-Y537 HydrophobicContact CD1-CE1 4.49Å
532	P	58.2	Low	63.8	Low	21 Å²	21	82.9 Å²	82.9	14%	0.136	38%	0.379	C	S	.	.			trans	-58.1	128.3	167.1	-20.9	32.7	0	0	0	109.9	D534 Y537 W604	P532-D534 PolarHBondContact O-N 3.1Å; P532-Y537 HydrophobicContact CB-CD1 4.27Å; P532-Y537 HydrophobicContact CB-CD2 4.5Å; P532-Y537 HydrophobicContact CB-CG 3.98Å; P532-Y537 HydrophobicContact CG-CD1 4.38Å; P532-Y537 HydrophobicContact CG-CD2 3.98Å; P532-Y537 HydrophobicContact CG-CE2 4.45Å; P532-Y537 HydrophobicContact CG-CG 3.96Å; P532-W604 HydrophobicContact CG-CG 4.47Å
533	T	62.4	Low	66.7	Low	145 Å²	145	77.7 Å²	77.7	89%	0.89	35%	0.351	S	S	*	.			trans	-82.7	9.6	176.2	53.8	0	0	0	0	112.9	F531	F531-T533 PolarHBondContact O-N 3.38Å
534	D	81.9	Confident	69.8	Low	57 Å²	57	73.6 Å²	73.6	31%	0.305	33%	0.332	S	S	.	.			trans	-84.5	139.6	-179.1	176.9	26.3	0	0	0	111.6	P532 A536 Y537 F538 H698	P532-D534 PolarHBondContact O-N 3.1Å; D534-A536 VanDerWaalsContact C-N 3.27Å; D534-A536 PolarHBondContact O-N 2.81Å; D534-A536 PolarHBondContact OD1-N 2.85Å; D534-A536 WeakPolarHBondContact OD2-CB 3.48Å; D534-Y537 PolarHBondContact O-N 2.99Å; D534-F538 WeakPolarHBondContact O-CD2 3.47Å; D534-H698 IonicContact OD1-CE1 2.81Å; D534-H698 PolarHBondContact OD1-CE1 3.44Å; D534-H698 IonicContact OD1-NE2 3.16Å; D534-H698 PolarHBondContact OD1-NE2 2.86Å
535	R	89	Confident	73	Confident	123 Å²	123	71.1 Å²	71.1	46%	0.464	32%	0.32	S	S	.	.	H	α-helix	trans	-61.6	-34.4	176.3	-160.8	-175.1	-166.6	142.8	15.8	111.7	Y537 F538 I539 H698 Y1010 E1013	R535-Y537 VanDerWaalsContact C-N 3.35Å; R535-Y537 PolarHBondContact O-N 3.27Å; R535-F538 PolarHBondContact O-N 3.13Å; R535-F538 VanDerWaalsContact O-N 3.14Å; R535-I539 HydrophobicContact CG-CD1 4.19Å; R535-I539 WeakPolarHBondContact O-CG1 3.47Å; R535-I539 PolarHBondContact O-N 2.78Å; R535-H698 VanDerWaalsContact CB-CE1 3.49Å; R535-H698 WeakPolarHBondContact CB-CE1 3.44Å; R535-Y1010 HydrophobicContact CG-CD2 3.58Å; R535-Y1010 HydrophobicContact CG-CE2 4.08Å; R535-Y1010 HydrophobicContact CG-CG 4.28Å; R535-E1013 IonicContact NH2-OE2 2.71Å
536	A	91.7	Very high	76	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-62.4	-40.3	-179.6	0	0	0	0	0	112.3	D534 F538 I539 A540 W604 L695 Y699	D534-A536 VanDerWaalsContact C-N 3.27Å; D534-A536 PolarHBondContact O-N 2.81Å; D534-A536 PolarHBondContact OD1-N 2.85Å; D534-A536 WeakPolarHBondContact OD2-CB 3.48Å; A536-F538 VanDerWaalsContact C-N 3.32Å; A536-F538 PolarHBondContact O-N 3.47Å; A536-I539 PolarHBondContact O-N 2.79Å; A536-A540 WeakPolarHBondContact O-CB 2.99Å; A536-A540 PolarHBondContact O-N 2.94Å; A536-W604 HydrophobicContact CB-CH2 4.14Å; A536-W604 HydrophobicContact CB-CZ2 4.41Å; A536-L695 HydrophobicContact CB-CD2 4.25Å; A536-Y699 HydrophobicContact CB-CE1 3.77Å
537	Y	92.6	Very high	78.9	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.3	-42.1	173.5	162.9	-98	0	0	0	111.6	F531 P532 D534 R535 A540 K541 L601 W604 E605	F531-Y537 HydrophobicContact CD1-CE1 4.49Å; P532-Y537 HydrophobicContact CB-CD1 4.27Å; P532-Y537 HydrophobicContact CB-CD2 4.5Å; P532-Y537 HydrophobicContact CB-CG 3.98Å; P532-Y537 HydrophobicContact CG-CD1 4.38Å; P532-Y537 HydrophobicContact CG-CD2 3.98Å; P532-Y537 HydrophobicContact CG-CE2 4.45Å; P532-Y537 HydrophobicContact CG-CG 3.96Å; D534-Y537 PolarHBondContact O-N 2.99Å; R535-Y537 VanDerWaalsContact C-N 3.35Å; R535-Y537 PolarHBondContact O-N 3.27Å; Y537-A540 PolarHBondContact O-N 3.31Å; Y537-K541 HydrophobicContact CE1-CD 4.1Å; Y537-K541 VanDerWaalsContact O-CB 3.3Å; Y537-K541 WeakPolarHBondContact O-CB 3.45Å; Y537-K541 PolarHBondContact O-N 3.28Å; Y537-K541 PolarHBondContact OH-NZ 3.49Å; Y537-L601 HydrophobicContact CD2-CD2 3.69Å; Y537-L601 HydrophobicContact CE2-CD2 3.79Å; Y537-W604 HydrophobicContact CD2-CD2 4.26Å; Y537-W604 HydrophobicContact CD2-CG 4.21Å; Y537-E605 HydrophobicContact CE2-CG 3.79Å; Y537-E605 PolarHBondContact OH-OE1 3.5Å
538	F	94.1	Very high	81.9	Confident	27 Å²	27	55.3 Å²	55.3	12%	0.118	24%	0.244	C	C	.	.	H	α-helix	trans	-72.4	-31.1	177.7	-69	-77.2	0	0	0	113.6	D534 R535 A536 K541 E542 S1008 Y1010	D534-F538 WeakPolarHBondContact O-CD2 3.47Å; R535-F538 PolarHBondContact O-N 3.13Å; R535-F538 VanDerWaalsContact O-N 3.14Å; A536-F538 VanDerWaalsContact C-N 3.32Å; A536-F538 PolarHBondContact O-N 3.47Å; F538-K541 HydrophobicContact CD1-CD 4.45Å; F538-K541 PolarHBondContact O-N 2.83Å; F538-E542 PolarHBondContact O-N 2.96Å; F538-S1008 VanDerWaalsContact CD1-OG 3.32Å; F538-S1008 WeakPolarHBondContact CD1-OG 3.46Å; F538-S1008 VanDerWaalsContact CE1-CB 3.45Å; F538-S1008 WeakPolarHBondContact CE1-OG 3.49Å; F538-S1008 VanDerWaalsContact CZ-CB 3.47Å; F538-Y1010 HydrophobicContact CB-CD1 3.44Å; F538-Y1010 VanDerWaalsContact CB-CD1 3.44Å; F538-Y1010 HydrophobicContact CB-CE1 4.07Å; F538-Y1010 HydrophobicContact CB-CG 3.98Å; F538-Y1010 HydrophobicContact CG-CD1 4.4Å
539	I	95.7	Very high	84.6	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-67.5	-43.2	171	-61.6	160.6	0	0	0	110.5	R535 A536 K541 E542 L543 I691 R694 L695 H698 Y1010	R535-I539 HydrophobicContact CG-CD1 4.19Å; R535-I539 WeakPolarHBondContact O-CG1 3.47Å; R535-I539 PolarHBondContact O-N 2.78Å; A536-I539 PolarHBondContact O-N 2.79Å; I539-K541 VanDerWaalsContact C-N 3.27Å; I539-K541 PolarHBondContact O-N 2.98Å; I539-E542 WeakPolarHBondContact O-CB 3.41Å; I539-E542 PolarHBondContact O-N 3.38Å; I539-L543 PolarHBondContact O-N 2.85Å; I539-I691 HydrophobicContact CG2-CG2 4.05Å; I539-R694 HydrophobicContact CD1-CB 4.42Å; I539-L695 HydrophobicContact CB-CD2 3.93Å; I539-L695 HydrophobicContact CB-CG 4.47Å; I539-L695 HydrophobicContact CD1-CD2 4.15Å; I539-L695 HydrophobicContact CG2-CD1 4.37Å; I539-L695 HydrophobicContact CG2-CD2 3.76Å; I539-L695 HydrophobicContact CG2-CG 3.74Å; I539-H698 HydrophobicContact CD1-CB 4.47Å; I539-Y1010 HydrophobicContact CD1-CE2 4.49Å; I539-Y1010 HydrophobicContact CG1-CE1 4.32Å; I539-Y1010 HydrophobicContact CG1-CE2 3.84Å
540	A	95.7	Very high	87.3	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.1	-32.1	173.2	0	0	0	0	0	112.1	A536 Y537 L543 L544 L601 W604 I619	A536-A540 WeakPolarHBondContact O-CB 2.99Å; A536-A540 PolarHBondContact O-N 2.94Å; Y537-A540 PolarHBondContact O-N 3.31Å; A540-L543 WeakPolarHBondContact O-CB 3.14Å; A540-L543 PolarHBondContact O-N 3.1Å; A540-L544 PolarHBondContact O-N 2.78Å; A540-L601 HydrophobicContact CB-CD2 3.99Å; A540-W604 HydrophobicContact CB-CZ3 4.01Å; A540-I619 HydrophobicContact CB-CB 4.19Å; A540-I619 HydrophobicContact CB-CG1 4.14Å; A540-I619 HydrophobicContact CB-CG2 4.14Å
541	K	95.5	Very high	89.9	Confident	29 Å²	29	29.8 Å²	29.8	13%	0.126	15%	0.147	C	C	.	.	H	α-helix	trans	-71	-34	173.5	-164	173.1	-174.4	179	0	112.7	Y537 F538 I539 L544 T545 E1007	Y537-K541 HydrophobicContact CE1-CD 4.1Å; Y537-K541 VanDerWaalsContact O-CB 3.3Å; Y537-K541 WeakPolarHBondContact O-CB 3.45Å; Y537-K541 PolarHBondContact O-N 3.28Å; Y537-K541 PolarHBondContact OH-NZ 3.49Å; F538-K541 HydrophobicContact CD1-CD 4.45Å; F538-K541 PolarHBondContact O-N 2.83Å; I539-K541 VanDerWaalsContact C-N 3.27Å; I539-K541 PolarHBondContact O-N 2.98Å; K541-L544 WeakPolarHBondContact O-CB 3.31Å; K541-L544 PolarHBondContact O-N 3.35Å; K541-T545 WeakPolarHBondContact O-CG2 3.35Å; K541-T545 PolarHBondContact O-N 2.86Å; K541-T545 PolarHBondContact O-OG1 3.19Å; K541-E1007 WeakPolarHBondContact CD-OE1 3.38Å; K541-E1007 WeakPolarHBondContact CE-OE1 3.37Å; K541-E1007 IonicContact NZ-OE1 3.86Å; K541-E1007 PolarHBondContact NZ-OE1 2.99Å; K541-E1007 IonicContact NZ-OE2 2.83Å; K541-E1007 PolarHBondContact NZ-OE2 3.45Å
542	E	97	Very high	92.1	Very high	11 Å²	11	28.5 Å²	28.5	5%	0.051	14%	0.141	C	C	.	.	H	α-helix	trans	-65.6	-39.6	171.1	-176.4	-178.4	157.6	0	0	111.9	F538 I539 T545 T546 R694 L930 Y1010 R1014	F538-E542 PolarHBondContact O-N 2.96Å; I539-E542 WeakPolarHBondContact O-CB 3.41Å; I539-E542 PolarHBondContact O-N 3.38Å; E542-T545 PolarHBondContact O-N 2.9Å; E542-T545 PolarHBondContact O-OG1 3.37Å; E542-T546 WeakPolarHBondContact O-CB 3.2Å; E542-T546 WeakPolarHBondContact O-CG2 3.32Å; E542-T546 PolarHBondContact O-N 2.94Å; E542-T546 PolarHBondContact O-OG1 2.62Å; E542-R694 IonicContact OE1-CZ 2.64Å; E542-R694 VanDerWaalsContact OE1-CZ 3.3Å; E542-R694 IonicContact OE1-NH1 3.23Å; E542-R694 PolarHBondContact OE1-NH1 2.95Å; E542-R694 IonicContact OE1-NH2 3.17Å; E542-R694 PolarHBondContact OE1-NH2 3.06Å; E542-R694 IonicContact OE2-CZ 2.68Å; E542-R694 IonicContact OE2-NH1 2.61Å; E542-R694 PolarHBondContact OE2-NH1 3.12Å; E542-R694 IonicContact OE2-NH2 2.96Å; E542-L930 HydrophobicContact CG-CD1 3.68Å; E542-Y1010 PolarHBondContact OE2-OH 2.97Å; E542-R1014 IonicContact OE1-CZ 2.7Å; E542-R1014 IonicContact OE1-NE 2.81Å; E542-R1014 PolarHBondContact OE1-NE 3.16Å; E542-R1014 IonicContact OE1-NH2 2.61Å; E542-R1014 PolarHBondContact OE1-NH2 3.29Å; E542-R1014 IonicContact OE2-NE 3.67Å
543	L	98	Very high	94	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-55.2	-53.5	168.7	173.2	72.5	0	0	0	110.5	I539 A540 T545 T546 E547 F593 V597 I619 M623 R684 Y688 I691	I539-L543 PolarHBondContact O-N 2.85Å; A540-L543 WeakPolarHBondContact O-CB 3.14Å; A540-L543 PolarHBondContact O-N 3.1Å; L543-T545 PolarHBondContact O-N 2.92Å; L543-T546 PolarHBondContact O-N 3.3Å; L543-T546 PolarHBondContact O-OG1 3.16Å; L543-T546 VanDerWaalsContact O-OG1 3.12Å; L543-E547 VanDerWaalsContact O-CB 3.3Å; L543-E547 WeakPolarHBondContact O-CB 3.06Å; L543-E547 PolarHBondContact O-N 2.97Å; L543-F593 HydrophobicContact CD1-CE1 4.41Å; L543-F593 HydrophobicContact CD1-CZ 4.21Å; L543-F593 HydrophobicContact CD2-CZ 4.26Å; L543-V597 HydrophobicContact CD2-CG1 4.11Å; L543-V597 HydrophobicContact CD2-CG2 4.01Å; L543-V597 HydrophobicContact CG-CG1 4.41Å; L543-I619 HydrophobicContact CD2-CG1 4.1Å; L543-M623 HydrophobicContact CD1-CE 4.29Å; L543-M623 HydrophobicContact CD1-SD 3.95Å; L543-M623 HydrophobicContact CD2-CG 4.42Å; L543-M623 HydrophobicContact CD2-SD 3.45Å; L543-M623 WeakPolarHBondContact CD2-SD 3.49Å; L543-M623 HydrophobicContact CG-SD 4.35Å; L543-R684 PolarHBondContact O-NH2 3.18Å; L543-Y688 HydrophobicContact CD1-CD1 3.82Å; L543-Y688 HydrophobicContact CD1-CE1 3.77Å; L543-I691 HydrophobicContact CB-CD1 4.03Å; L543-I691 HydrophobicContact CB-CG2 4.33Å; L543-I691 HydrophobicContact CD1-CD1 3.83Å
544	L	97.9	Very high	95.6	Very high	16 Å²	16	20.7 Å²	20.7	8%	0.084	9%	0.093	C	C	.	.	H	α-helix	trans	-56.8	-50.7	178.3	170.7	59.9	0	0	0	112.7	A540 K541 T546 E547 R548 L594 V597 E598 L601	A540-L544 PolarHBondContact O-N 2.78Å; K541-L544 WeakPolarHBondContact O-CB 3.31Å; K541-L544 PolarHBondContact O-N 3.35Å; L544-T546 VanDerWaalsContact C-N 3.33Å; L544-T546 PolarHBondContact O-N 3.42Å; L544-E547 PolarHBondContact O-N 3.28Å; L544-R548 HydrophobicContact CD1-CG 4.27Å; L544-R548 PolarHBondContact O-N 2.84Å; L544-R548 VanDerWaalsContact O-N 3.1Å; L544-L594 HydrophobicContact CD1-CD1 3.55Å; L544-V597 HydrophobicContact CB-CG1 3.9Å; L544-V597 HydrophobicContact CD1-CG1 4.36Å; L544-E598 HydrophobicContact CD1-CG 3.35Å; L544-L601 HydrophobicContact CB-CD1 3.59Å; L544-L601 HydrophobicContact CD2-CD1 3.57Å; L544-L601 HydrophobicContact CG-CD1 4.15Å
545	T	98.1	Very high	96.3	Very high	16 Å²	16	20.3 Å²	20.3	10%	0.098	9%	0.089	C	C	.	.	H	α-helix	trans	-70.4	-33	-173.3	54.3	0	0	0	0	112.4	K541 E542 L543 S931 W948	K541-T545 WeakPolarHBondContact O-CG2 3.35Å; K541-T545 PolarHBondContact O-N 2.86Å; K541-T545 PolarHBondContact O-OG1 3.19Å; E542-T545 PolarHBondContact O-N 2.9Å; E542-T545 PolarHBondContact O-OG1 3.37Å; L543-T545 PolarHBondContact O-N 2.92Å; T545-S931 WeakPolarHBondContact CB-O 3.5Å; T545-S931 WeakPolarHBondContact O-CB 3.43Å; T545-S931 PolarHBondContact OG1-O 3.18Å; T545-W948 HydrophobicContact CG2-CH2 3.77Å; T545-W948 HydrophobicContact CG2-CZ3 3.86Å; T545-W948 WeakPolarHBondContact O-CH2 3.31Å; T545-W948 WeakPolarHBondContact O-CZ2 3.3Å
546	T	98.3	Very high	96.7	Very high	13 Å²	13	14.8 Å²	14.8	8%	0.08	7%	0.069	C	C	.	.	H	α-helix	trans	-74.7	-33	172.4	56	0	0	0	0	112.7	E542 L543 L544 T549 Y550 R684 L930	E542-T546 WeakPolarHBondContact O-CB 3.2Å; E542-T546 WeakPolarHBondContact O-CG2 3.32Å; E542-T546 PolarHBondContact O-N 2.94Å; E542-T546 PolarHBondContact O-OG1 2.62Å; L543-T546 PolarHBondContact O-N 3.3Å; L543-T546 PolarHBondContact O-OG1 3.16Å; L543-T546 VanDerWaalsContact O-OG1 3.12Å; L544-T546 VanDerWaalsContact C-N 3.33Å; L544-T546 PolarHBondContact O-N 3.42Å; T546-T549 PolarHBondContact O-N 3.2Å; T546-Y550 WeakPolarHBondContact O-CB 3.48Å; T546-Y550 PolarHBondContact O-N 2.93Å; T546-R684 VanDerWaalsContact CB-NH1 3.29Å; T546-R684 PolarHBondContact OG1-NH1 3.31Å; T546-R684 PolarHBondContact OG1-NH2 3.41Å; T546-R684 VanDerWaalsContact OG1-NH2 3.1Å; T546-L930 HydrophobicContact CG2-CD1 4.4Å
547	E	98.5	Very high	96.9	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-65.3	-39.9	176.7	-165.6	69	-161.9	0	0	111.3	L543 L544 T549 Y550 L551 H590 F593 L594 R684 Y688	L543-E547 VanDerWaalsContact O-CB 3.3Å; L543-E547 WeakPolarHBondContact O-CB 3.06Å; L543-E547 PolarHBondContact O-N 2.97Å; L544-E547 PolarHBondContact O-N 3.28Å; E547-T549 PolarHBondContact O-N 3.14Å; E547-Y550 PolarHBondContact O-N 3.03Å; E547-L551 PolarHBondContact O-N 3.18Å; E547-H590 IonicContact OE1-CE1 3.2Å; E547-H590 IonicContact OE1-CG 3.83Å; E547-H590 IonicContact OE1-ND1 3.91Å; E547-H590 PolarHBondContact OE1-ND1 3.41Å; E547-F593 HydrophobicContact CG-CD1 4.19Å; E547-F593 HydrophobicContact CG-CE1 4.3Å; E547-F593 WeakPolarHBondContact OE1-CD1 3.25Å; E547-L594 HydrophobicContact CB-CD1 4.06Å; E547-L594 HydrophobicContact CG-CB 4.01Å; E547-L594 HydrophobicContact CG-CD1 4.03Å; E547-R684 VanDerWaalsContact CA-NH2 3.35Å; E547-R684 VanDerWaalsContact N-NH2 3.12Å; E547-R684 IonicContact OE2-CZ 2.99Å; E547-R684 IonicContact OE2-NE 3.64Å; E547-R684 PolarHBondContact OE2-NE 3.48Å; E547-R684 IonicContact OE2-NH2 3.94Å; E547-R684 PolarHBondContact OE2-NH2 3.08Å; E547-Y688 PolarHBondContact OE1-OH 2.8Å; E547-Y688 WeakPolarHBondContact OE2-CE1 3.5Å; E547-Y688 PolarHBondContact OE2-OH 2.88Å
548	R	98.4	Very high	97.1	Very high	53 Å²	53	15.3 Å²	15.3	20%	0.2	7%	0.072	C	C	.	.	H	α-helix	trans	-59.4	-44.5	175	-73.5	176.2	171.5	171.5	0.6	113.2	L544 K552 L594 E598 W948 H962	L544-R548 HydrophobicContact CD1-CG 4.27Å; L544-R548 PolarHBondContact O-N 2.84Å; L544-R548 VanDerWaalsContact O-N 3.1Å; R548-K552 PolarHBondContact O-N 3.33Å; R548-L594 HydrophobicContact CG-CD1 3.74Å; R548-L594 HydrophobicContact CG-CD2 4.14Å; R548-E598 IonicContact CZ-OE1 3.75Å; R548-E598 IonicContact NE-OE1 3.47Å; R548-E598 PolarHBondContact NE-OE1 3.05Å; R548-E598 IonicContact NH2-OE1 2.82Å; R548-E598 PolarHBondContact NH2-OE1 3.13Å; R548-W948 HydrophobicContact CB-CZ2 4.41Å; R548-H962 PolarHBondContact NH1-NE2 2.97Å
549	T	97.9	Very high	97.1	Very high	10 Å²	10	17.9 Å²	17.9	6%	0.061	9%	0.09	C	C	.	.	H	α-helix	trans	-68.2	-42.3	175.6	-64.7	0	0	0	0	110.9	T546 E547 L551 K552 D553 S931 V950	T546-T549 PolarHBondContact O-N 3.2Å; E547-T549 PolarHBondContact O-N 3.14Å; T549-L551 VanDerWaalsContact C-N 3.32Å; T549-L551 PolarHBondContact O-N 3.11Å; T549-K552 CarbonylContact O-C 3.53Å; T549-K552 WeakPolarHBondContact O-CB 3.21Å; T549-K552 PolarHBondContact O-N 3.26Å; T549-K552 VanDerWaalsContact O-N 3.15Å; T549-D553 VanDerWaalsContact O-CG 3.31Å; T549-D553 PolarHBondContact O-N 3.38Å; T549-S931 VanDerWaalsContact CB-OG 3.3Å; T549-S931 WeakPolarHBondContact CB-OG 3.49Å; T549-S931 WeakPolarHBondContact OG1-CB 3.5Å; T549-S931 PolarHBondContact OG1-OG 3.34Å; T549-V950 HydrophobicContact CG2-CB 4.49Å; T549-V950 HydrophobicContact CG2-CG1 3.78Å; T549-V950 HydrophobicContact CG2-CG2 3.85Å
550	Y	98.3	Very high	97	Very high	8 Å²	8	19.5 Å²	19.5	3%	0.031	10%	0.101	C	C	.	.	H	α-helix	trans	-62.2	-37.8	177.7	168.4	-105.8	0	0	0	112.3	T546 E547 D553 L554 H590 R680 P681 R684	T546-Y550 WeakPolarHBondContact O-CB 3.48Å; T546-Y550 PolarHBondContact O-N 2.93Å; E547-Y550 PolarHBondContact O-N 3.03Å; Y550-D553 WeakPolarHBondContact O-CB 3.46Å; Y550-D553 PolarHBondContact O-N 2.84Å; Y550-D553 VanDerWaalsContact O-N 3.16Å; Y550-L554 HydrophobicContact CE1-CD1 3.91Å; Y550-L554 HydrophobicContact CE1-CG 4.29Å; Y550-L554 HydrophobicContact CE2-CD2 3.97Å; Y550-L554 HydrophobicContact CE2-CG 4.26Å; Y550-L554 WeakPolarHBondContact O-CG 3.33Å; Y550-L554 PolarHBondContact O-N 2.98Å; Y550-H590 HydrophobicContact CE1-CB 4.2Å; Y550-H590 AromaticContact CE1-CD2 3.57Å; Y550-H590 AromaticContact CE1-CE1 3.49Å; Y550-H590 VanDerWaalsContact CE1-CE1 3.49Å; Y550-H590 WeakPolarHBondContact CE1-CE1 3.43Å; Y550-H590 AromaticContact CE1-CG 3.56Å; Y550-H590 AromaticContact CE1-ND1 3.49Å; Y550-H590 WeakPolarHBondContact CE1-ND1 3.44Å; Y550-H590 AromaticContact CE1-NE2 3.54Å; Y550-H590 AromaticContact CZ-NE2 3.78Å; Y550-H590 PolarHBondContact OH-CD2 3.21Å; Y550-H590 PolarHBondContact OH-NE2 2.98Å; Y550-H590 VanDerWaalsContact OH-NE2 3.12Å; Y550-R680 HydrophobicContact CD2-CB 4.23Å; Y550-R680 HydrophobicContact CE2-CB 4.11Å; Y550-P681 HydrophobicContact CE2-CG 4.29Å; Y550-P681 WeakPolarHBondContact OH-CA 3.47Å; Y550-P681 WeakPolarHBondContact OH-CB 3.46Å; Y550-R684 HydrophobicContact CD1-CG 3.83Å; Y550-R684 HydrophobicContact CD2-CB 3.99Å; Y550-R684 HydrophobicContact CD2-CG 4.09Å; Y550-R684 HydrophobicContact CE1-CB 4.29Å; Y550-R684 HydrophobicContact CE1-CG 3.83Å; Y550-R684 HydrophobicContact CE2-CB 3.73Å; Y550-R684 HydrophobicContact CE2-CG 4.1Å; Y550-R684 HydrophobicContact CG-CB 4.38Å; Y550-R684 HydrophobicContact CG-CG 3.95Å
551	L	97.9	Very high	97	Very high	13 Å²	13	19.7 Å²	19.7	7%	0.068	10%	0.102	C	C	.	.	H	α-helix	trans	-63.9	-41.2	173.9	-148.1	77.4	0	0	0	111.6	E547 T549 D553 L554 E555 H590 L594	E547-L551 PolarHBondContact O-N 3.18Å; T549-L551 VanDerWaalsContact C-N 3.32Å; T549-L551 PolarHBondContact O-N 3.11Å; L551-D553 VanDerWaalsContact C-N 3.33Å; L551-D553 PolarHBondContact O-N 2.9Å; L551-L554 HydrophobicContact CD1-CD1 4.34Å; L551-L554 WeakPolarHBondContact O-CB 3.34Å; L551-L554 PolarHBondContact O-N 3.37Å; L551-L554 VanDerWaalsContact O-N 3.12Å; L551-E555 PolarHBondContact O-N 2.87Å; L551-H590 HydrophobicContact CD1-CB 3.44Å; L551-H590 VanDerWaalsContact CD1-CB 3.44Å; L551-L594 HydrophobicContact CD2-CD2 3.8Å
552	K	97.1	Very high	96.9	Very high	53 Å²	53	20.7 Å²	20.7	23%	0.23	11%	0.107	C	C	.	.	H	α-helix	trans	-62.2	-37.5	170.8	-77.5	-65	-178.6	-172.4	0	113	R548 T549 L554 E555 V556 D965	R548-K552 PolarHBondContact O-N 3.33Å; T549-K552 CarbonylContact O-C 3.53Å; T549-K552 WeakPolarHBondContact O-CB 3.21Å; T549-K552 PolarHBondContact O-N 3.26Å; T549-K552 VanDerWaalsContact O-N 3.15Å; K552-L554 VanDerWaalsContact C-N 3.28Å; K552-L554 PolarHBondContact O-N 3.33Å; K552-E555 WeakPolarHBondContact CD-OE2 3.2Å; K552-E555 IonicContact NZ-OE1 3.35Å; K552-E555 IonicContact NZ-OE2 2.81Å; K552-E555 PolarHBondContact NZ-OE2 2.86Å; K552-E555 PolarHBondContact O-N 3.38Å; K552-V556 WeakPolarHBondContact O-CG2 3.29Å; K552-V556 PolarHBondContact O-N 2.9Å; K552-V556 VanDerWaalsContact O-N 3.12Å; K552-D965 IonicContact NZ-OD1 2.71Å; K552-D965 PolarHBondContact NZ-OD1 3.26Å
553	D	97.4	Very high	96.6	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.016	12%	0.123	C	C	.	.	H	α-helix	trans	-64.1	-30.8	173.5	-66.9	-28.6	0	0	0	112.2	T549 Y550 L551 Y671 F677 R680	T549-D553 VanDerWaalsContact O-CG 3.31Å; T549-D553 PolarHBondContact O-N 3.38Å; Y550-D553 WeakPolarHBondContact O-CB 3.46Å; Y550-D553 PolarHBondContact O-N 2.84Å; Y550-D553 VanDerWaalsContact O-N 3.16Å; L551-D553 VanDerWaalsContact C-N 3.33Å; L551-D553 PolarHBondContact O-N 2.9Å; D553-Y671 WeakPolarHBondContact OD1-CE1 3.49Å; D553-Y671 PolarHBondContact OD1-OH 2.84Å; D553-Y671 PolarHBondContact OD2-OH 3.01Å; D553-F677 HydrophobicContact CB-CD1 3.94Å; D553-F677 HydrophobicContact CB-CE1 4.08Å; D553-F677 WeakPolarHBondContact O-CD1 3.49Å; D553-F677 WeakPolarHBondContact OD1-CE1 3.38Å; D553-R680 HydrophobicContact CB-CG 4.37Å; D553-R680 IonicContact OD1-NH2 2.96Å; D553-R680 PolarHBondContact OD1-NH2 3.49Å; D553-R680 IonicContact OD2-CZ 3.46Å; D553-R680 IonicContact OD2-NE 2.71Å; D553-R680 IonicContact OD2-NH1 3.13Å; D553-R680 PolarHBondContact OD2-NH1 3.39Å; D553-R680 IonicContact OD2-NH2 3.84Å; D553-R680 PolarHBondContact OD2-NH2 3.37Å
554	L	97.3	Very high	96.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-71.2	-42.3	169.6	-60.9	-176.9	0	0	0	112.1	Y550 L551 K552 V556 V557 T558 F583 H587 H590 P681	Y550-L554 HydrophobicContact CE1-CD1 3.91Å; Y550-L554 HydrophobicContact CE1-CG 4.29Å; Y550-L554 HydrophobicContact CE2-CD2 3.97Å; Y550-L554 HydrophobicContact CE2-CG 4.26Å; Y550-L554 WeakPolarHBondContact O-CG 3.33Å; Y550-L554 PolarHBondContact O-N 2.98Å; L551-L554 HydrophobicContact CD1-CD1 4.34Å; L551-L554 WeakPolarHBondContact O-CB 3.34Å; L551-L554 PolarHBondContact O-N 3.37Å; L551-L554 VanDerWaalsContact O-N 3.12Å; K552-L554 VanDerWaalsContact C-N 3.28Å; K552-L554 PolarHBondContact O-N 3.33Å; L554-V556 PolarHBondContact O-N 2.92Å; L554-V557 WeakPolarHBondContact O-CA 3.35Å; L554-V557 PolarHBondContact O-N 2.96Å; L554-T558 PolarHBondContact O-N 3.01Å; L554-T558 PolarHBondContact O-OG1 3.13Å; L554-F583 HydrophobicContact CD2-CD1 3.97Å; L554-F583 HydrophobicContact CD2-CE1 3.87Å; L554-H587 HydrophobicContact CD1-CB 4.26Å; L554-H590 HydrophobicContact CD1-CB 4.35Å; L554-P681 HydrophobicContact CD2-CG 3.89Å
555	E	96.7	Very high	95.9	Very high	49 Å²	49	24.3 Å²	24.3	23%	0.229	13%	0.133	C	C	.	.	H	α-helix	trans	-60.5	-28.2	177.6	-70.5	174.3	-140	0	0	112.8	L551 K552 V557 V559 S560	L551-E555 PolarHBondContact O-N 2.87Å; K552-E555 WeakPolarHBondContact CD-OE2 3.2Å; K552-E555 IonicContact NZ-OE1 3.35Å; K552-E555 IonicContact NZ-OE2 2.81Å; K552-E555 PolarHBondContact NZ-OE2 2.86Å; K552-E555 PolarHBondContact O-N 3.38Å; E555-V557 PolarHBondContact O-N 3.46Å; E555-V559 HydrophobicContact CB-CG2 4.3Å; E555-V559 HydrophobicContact CG-CG2 4.37Å; E555-V559 WeakPolarHBondContact O-CA 3.37Å; E555-V559 WeakPolarHBondContact O-CB 3.42Å; E555-V559 PolarHBondContact O-N 3.33Å; E555-S560 PolarHBondContact O-N 2.63Å
556	V	97	Very high	95.3	Very high	6 Å²	6	26 Å²	26	4%	0.036	15%	0.154	C	C	.	.	I	π-helix	trans	-59.2	-35.5	170.3	-173.1	0	0	0	0	111.2	K552 L554 S560 F561 F664 V669 F677	K552-V556 WeakPolarHBondContact O-CG2 3.29Å; K552-V556 PolarHBondContact O-N 2.9Å; K552-V556 VanDerWaalsContact O-N 3.12Å; L554-V556 PolarHBondContact O-N 2.92Å; V556-S560 WeakPolarHBondContact O-CB 3.16Å; V556-F561 WeakPolarHBondContact O-CB 3.49Å; V556-F561 PolarHBondContact O-N 3.25Å; V556-F664 HydrophobicContact CG1-CE1 4.08Å; V556-F664 HydrophobicContact CG1-CZ 3.87Å; V556-V669 HydrophobicContact CG1-CG2 4.37Å; V556-V669 HydrophobicContact CG2-CG2 3.97Å; V556-F677 HydrophobicContact CB-CD1 4Å; V556-F677 HydrophobicContact CB-CE1 3.88Å; V556-F677 HydrophobicContact CB-CG 4.4Å; V556-F677 HydrophobicContact CB-CZ 4.16Å; V556-F677 HydrophobicContact CG1-CD1 4.33Å; V556-F677 HydrophobicContact CG1-CD2 4.15Å; V556-F677 HydrophobicContact CG1-CE1 4.13Å; V556-F677 HydrophobicContact CG1-CE2 3.9Å; V556-F677 HydrophobicContact CG1-CG 4.35Å; V556-F677 HydrophobicContact CG1-CZ 3.89Å; V556-F677 HydrophobicContact CG2-CD1 4.15Å; V556-F677 HydrophobicContact CG2-CE1 3.56Å; V556-F677 HydrophobicContact CG2-CZ 3.86Å
557	V	96.4	Very high	94.8	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.024	18%	0.181	C	C	.	.	I	π-helix	trans	-86.4	-58.6	178.4	-173.9	0	0	0	0	111.5	L554 E555 V559 Q562 I579 F583 F677	L554-V557 WeakPolarHBondContact O-CA 3.35Å; L554-V557 PolarHBondContact O-N 2.96Å; E555-V557 PolarHBondContact O-N 3.46Å; V557-V559 PolarHBondContact O-N 3.15Å; V557-Q562 WeakPolarHBondContact O-CB 3.39Å; V557-Q562 PolarHBondContact O-N 3.32Å; V557-I579 HydrophobicContact CG1-CG2 3.89Å; V557-F583 HydrophobicContact CB-CD1 3.96Å; V557-F583 HydrophobicContact CB-CE1 3.96Å; V557-F583 HydrophobicContact CB-CG 4.47Å; V557-F583 HydrophobicContact CB-CZ 4.47Å; V557-F583 HydrophobicContact CG1-CD1 3.9Å; V557-F583 HydrophobicContact CG1-CD2 4.05Å; V557-F583 HydrophobicContact CG1-CE1 4Å; V557-F583 HydrophobicContact CG1-CE2 4.14Å; V557-F583 HydrophobicContact CG1-CG 3.93Å; V557-F583 HydrophobicContact CG1-CZ 4.13Å; V557-F583 HydrophobicContact CG2-CD1 4.39Å; V557-F583 HydrophobicContact CG2-CE1 3.87Å; V557-F583 HydrophobicContact CG2-CZ 4.2Å; V557-F677 HydrophobicContact CG2-CB 3.75Å
558	T	95.2	Very high	94.3	Very high	7 Å²	7	33.1 Å²	33.1	4%	0.043	19%	0.185	C	C	.	.	I	π-helix	trans	-71.5	-28.4	-171	53.6	0	0	0	0	114.3	L554 Q562 F583 H587	L554-T558 PolarHBondContact O-N 3.01Å; L554-T558 PolarHBondContact O-OG1 3.13Å; T558-Q562 WeakPolarHBondContact O-CB 3.49Å; T558-Q562 VanDerWaalsContact O-CD 3.26Å; T558-Q562 PolarHBondContact O-NE2 3.16Å; T558-Q562 VanDerWaalsContact O-NE2 3.16Å; T558-F583 HydrophobicContact CG2-CB 3.67Å; T558-F583 HydrophobicContact CG2-CD1 4.45Å; T558-F583 HydrophobicContact CG2-CG 4.5Å; T558-H587 HydrophobicContact CG2-CB 4.02Å
559	V	93.9	Very high	93.7	Very high	82 Å²	82	38.4 Å²	38.4	50%	0.497	21%	0.211	S	C	.	.	I	π-helix	trans	-107	-56.1	-179.9	-172.6	0	0	0	0	110.1	E555 V557 S563	E555-V559 HydrophobicContact CB-CG2 4.3Å; E555-V559 HydrophobicContact CG-CG2 4.37Å; E555-V559 WeakPolarHBondContact O-CA 3.37Å; E555-V559 WeakPolarHBondContact O-CB 3.42Å; E555-V559 PolarHBondContact O-N 3.33Å; V557-V559 PolarHBondContact O-N 3.15Å; V559-S563 WeakPolarHBondContact O-CB 3.49Å; V559-S563 PolarHBondContact O-N 2.79Å; V559-S563 VanDerWaalsContact O-N 3.13Å
560	S	95.3	Very high	93	Very high	35 Å²	35	42.7 Å²	42.7	25%	0.245	23%	0.231	C	C	.	.	I	π-helix	trans	-76.8	-58.9	-168.2	-55.1	0	0	0	0	112.5	E555 V556 S563 V564	E555-S560 PolarHBondContact O-N 2.63Å; V556-S560 WeakPolarHBondContact O-CB 3.16Å; S560-S563 PolarHBondContact O-N 3.34Å; S560-V564 PolarHBondContact O-N 3.01Å
561	F	95.2	Very high	92.6	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.018	23%	0.23	C	C	.	.	I	π-helix	trans	-65.8	-43.8	-179.5	-175.5	-123.6	0	0	0	111.5	V556 S563 V564 V565 I579 L647 L660 F664 L674	V556-F561 WeakPolarHBondContact O-CB 3.49Å; V556-F561 PolarHBondContact O-N 3.25Å; F561-S563 VanDerWaalsContact C-N 3.27Å; F561-S563 PolarHBondContact O-N 3.39Å; F561-V564 PolarHBondContact O-N 3.06Å; F561-V565 HydrophobicContact CD1-CG2 4.25Å; F561-V565 HydrophobicContact CD2-CG2 4.16Å; F561-V565 HydrophobicContact CE1-CG2 3.77Å; F561-V565 HydrophobicContact CE2-CG2 3.66Å; F561-V565 HydrophobicContact CG-CG2 4.43Å; F561-V565 HydrophobicContact CZ-CG2 3.44Å; F561-V565 VanDerWaalsContact CZ-CG2 3.44Å; F561-V565 PolarHBondContact O-N 3.48Å; F561-I579 HydrophobicContact CD1-CD1 4.43Å; F561-I579 HydrophobicContact CE1-CD1 3.91Å; F561-L647 HydrophobicContact CZ-CD1 4.11Å; F561-L660 HydrophobicContact CE2-CD2 4.2Å; F561-F664 HydrophobicContact CB-CD1 4.46Å; F561-F664 HydrophobicContact CB-CE1 3.88Å; F561-F664 HydrophobicContact CB-CE2 4.14Å; F561-F664 HydrophobicContact CB-CZ 3.69Å; F561-F664 HydrophobicContact CD2-CB 4.44Å; F561-F664 AromaticContact CD2-CD1 3.7Å; F561-F664 HydrophobicContact CD2-CD1 3.7Å; F561-F664 HydrophobicContact CD2-CD2 4.27Å; F561-F664 AromaticContact CD2-CE1 3.97Å; F561-F664 HydrophobicContact CD2-CE1 3.97Å; F561-F664 AromaticContact CD2-CG 3.86Å; F561-F664 HydrophobicContact CD2-CG 3.86Å; F561-F664 HydrophobicContact CD2-CZ 4.37Å; F561-F664 HydrophobicContact CE2-CD1 4.42Å; F561-F664 HydrophobicContact CG-CD1 4.44Å; F561-F664 HydrophobicContact CG-CE1 4.27Å; F561-F664 HydrophobicContact CG-CZ 4.49Å; F561-L674 HydrophobicContact CD1-CD1 4.16Å; F561-L674 HydrophobicContact CD2-CD1 4.09Å; F561-L674 HydrophobicContact CD2-CD2 4.08Å; F561-L674 HydrophobicContact CE1-CD1 4.39Å; F561-L674 HydrophobicContact CE1-CD2 4.18Å; F561-L674 HydrophobicContact CE2-CD1 4.34Å; F561-L674 HydrophobicContact CE2-CD2 3.54Å; F561-L674 HydrophobicContact CG-CD1 4Å; F561-L674 HydrophobicContact CZ-CD1 4.49Å; F561-L674 HydrophobicContact CZ-CD2 3.59Å
562	Q	92.1	Very high	92.3	Very high	51 Å²	51	44.2 Å²	44.2	24%	0.238	24%	0.243	C	C	.	.	H	α-helix	trans	-59.4	-32.9	175.4	-169	175.3	-72.4	0	0	113.1	V557 T558 V564 G566 L580	V557-Q562 WeakPolarHBondContact O-CB 3.39Å; V557-Q562 PolarHBondContact O-N 3.32Å; T558-Q562 WeakPolarHBondContact O-CB 3.49Å; T558-Q562 VanDerWaalsContact O-CD 3.26Å; T558-Q562 PolarHBondContact O-NE2 3.16Å; T558-Q562 VanDerWaalsContact O-NE2 3.16Å; Q562-V564 VanDerWaalsContact C-N 3.25Å; Q562-V564 PolarHBondContact O-N 3.44Å; Q562-G566 WeakPolarHBondContact O-CA 3.41Å; Q562-G566 PolarHBondContact O-N 3.47Å; Q562-L580 VanDerWaalsContact OE1-CD2 3.27Å
563	S	91.5	Very high	92	Very high	55 Å²	55	46.5 Å²	46.5	39%	0.385	26%	0.257	S	S	.	.	H	α-helix	trans	-72.4	-14.9	174.2	-167.1	0	0	0	0	113.9	V559 S560 F561 K567	V559-S563 WeakPolarHBondContact O-CB 3.49Å; V559-S563 PolarHBondContact O-N 2.79Å; V559-S563 VanDerWaalsContact O-N 3.13Å; S560-S563 PolarHBondContact O-N 3.34Å; F561-S563 VanDerWaalsContact C-N 3.27Å; F561-S563 PolarHBondContact O-N 3.39Å; S563-K567 VanDerWaalsContact O-CD 3.28Å; S563-K567 WeakPolarHBondContact O-CD 3.44Å; S563-K567 VanDerWaalsContact O-CE 3.29Å; S563-K567 WeakPolarHBondContact O-CE 3.41Å; S563-K567 WeakPolarHBondContact O-CG 3.4Å; S563-K567 PolarHBondContact O-NZ 3.35Å; S563-K567 PolarHBondContact OG-NZ 2.99Å
564	V	92	Very high	91.7	Very high	43 Å²	43	49 Å²	49	26%	0.261	28%	0.275	S	S	.	.	H	α-helix	trans	-92.5	-54	172.6	-175.3	0	0	0	0	109.7	S560 F561 Q562 G566 K567 L660 F664	S560-V564 PolarHBondContact O-N 3.01Å; F561-V564 PolarHBondContact O-N 3.06Å; Q562-V564 VanDerWaalsContact C-N 3.25Å; Q562-V564 PolarHBondContact O-N 3.44Å; V564-G566 PolarHBondContact O-N 2.97Å; V564-K567 PolarHBondContact O-N 2.95Å; V564-L660 HydrophobicContact CG1-CD1 4.05Å; V564-L660 HydrophobicContact CG1-CD2 3.73Å; V564-L660 HydrophobicContact CG1-CG 3.67Å; V564-F664 HydrophobicContact CG2-CD2 4.06Å
565	V	89.7	Confident	91.4	Very high	5 Å²	5	49 Å²	49	3%	0.03	28%	0.275	C	S	.	.	H	α-helix	trans	-59.6	-40.2	178.1	158.3	0	0	0	0	112.9	F561 K567 D568 T571 K576 L660	F561-V565 HydrophobicContact CD1-CG2 4.25Å; F561-V565 HydrophobicContact CD2-CG2 4.16Å; F561-V565 HydrophobicContact CE1-CG2 3.77Å; F561-V565 HydrophobicContact CE2-CG2 3.66Å; F561-V565 HydrophobicContact CG-CG2 4.43Å; F561-V565 HydrophobicContact CZ-CG2 3.44Å; F561-V565 VanDerWaalsContact CZ-CG2 3.44Å; F561-V565 PolarHBondContact O-N 3.48Å; V565-K567 PolarHBondContact O-N 3.18Å; V565-D568 PolarHBondContact O-N 2.89Å; V565-T571 HydrophobicContact CG1-CG2 3.85Å; V565-T571 HydrophobicContact CG2-CG2 4.48Å; V565-K576 HydrophobicContact CG1-CG 3.8Å; V565-L660 HydrophobicContact CG2-CD2 3.97Å
566	G	85.8	Confident	91.1	Very high	53 Å²	53	48.2 Å²	48.2	55%	0.546	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-7.5	179.8	0	0	0	0	0	115	Q562 V564	Q562-G566 WeakPolarHBondContact O-CA 3.41Å; Q562-G566 PolarHBondContact O-N 3.47Å; V564-G566 PolarHBondContact O-N 2.97Å
567	K	87.5	Confident	90.9	Very high	149 Å²	149	52.6 Å²	52.6	65%	0.648	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	3.2	173	-63.7	-178.9	-170.6	122	0	112.7	S563 V564 V565	S563-K567 VanDerWaalsContact O-CD 3.28Å; S563-K567 WeakPolarHBondContact O-CD 3.44Å; S563-K567 VanDerWaalsContact O-CE 3.29Å; S563-K567 WeakPolarHBondContact O-CE 3.41Å; S563-K567 WeakPolarHBondContact O-CG 3.4Å; S563-K567 PolarHBondContact O-NZ 3.35Å; S563-K567 PolarHBondContact OG-NZ 2.99Å; V564-K567 PolarHBondContact O-N 2.95Å; V565-K567 PolarHBondContact O-N 3.18Å
568	D	87.6	Confident	90.7	Very high	13 Å²	13	54 Å²	54	7%	0.07	30%	0.303	C	S	.	.			trans	-110.7	107.7	-173.7	-168.8	75.5	0	0	0	111.6	V565 E570 T571 K576 R656 L660	V565-D568 PolarHBondContact O-N 2.89Å; D568-E570 VanDerWaalsContact C-N 3.26Å; D568-E570 PolarHBondContact O-N 2.69Å; D568-E570 PolarHBondContact OD2-N 3.31Å; D568-T571 PolarHBondContact O-N 2.94Å; D568-T571 PolarHBondContact OD2-N 2.9Å; D568-T571 PolarHBondContact OD2-OG1 3.49Å; D568-K576 VanDerWaalsContact O-CE 3.26Å; D568-K576 WeakPolarHBondContact O-CE 3.3Å; D568-K576 PolarHBondContact O-NZ 3.02Å; D568-K576 VanDerWaalsContact O-NZ 3.15Å; D568-R656 IonicContact OD1-CZ 3.67Å; D568-R656 IonicContact OD1-NE 2.64Å; D568-R656 PolarHBondContact OD1-NE 2.99Å; D568-R656 IonicContact OD1-NH2 2.77Å; D568-R656 PolarHBondContact OD1-NH2 2.85Å; D568-R656 IonicContact OD2-NE 2.71Å; D568-L660 HydrophobicContact CB-CD1 3.6Å
569	E	85.8	Confident	90.5	Very high	163 Å²	163	54 Å²	54	76%	0.762	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-23.5	-177.9	-56.2	-56.9	148.7	0	0	113.7
570	E	84.4	Confident	90.4	Very high	100 Å²	100	53.1 Å²	53.1	47%	0.467	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-17.2	177.9	-82.7	-178.9	-124.4	0	0	113.4	D568 S654 R656	D568-E570 VanDerWaalsContact C-N 3.26Å; D568-E570 PolarHBondContact O-N 2.69Å; D568-E570 PolarHBondContact OD2-N 3.31Å; E570-S654 PolarHBondContact OE2-OG 3.13Å; E570-R656 WeakPolarHBondContact OE1-CD 3.32Å; E570-R656 IonicContact OE1-CZ 3.75Å; E570-R656 IonicContact OE1-NE 2.67Å; E570-R656 IonicContact OE1-NH1 2.69Å; E570-R656 PolarHBondContact OE1-NH1 3.43Å; E570-R656 VanDerWaalsContact OE2-CD 3.31Å; E570-R656 WeakPolarHBondContact OE2-CD 3.12Å
571	T	88.9	Confident	90.3	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.012	30%	0.303	C	S	.	.	S	Bend	trans	-72.1	125.8	177.7	-60.5	0	0	0	0	109.6	V565 D568 D573 L575 K576	V565-T571 HydrophobicContact CG1-CG2 3.85Å; V565-T571 HydrophobicContact CG2-CG2 4.48Å; D568-T571 PolarHBondContact O-N 2.94Å; D568-T571 PolarHBondContact OD2-N 2.9Å; D568-T571 PolarHBondContact OD2-OG1 3.49Å; T571-D573 PolarHBondContact O-N 2.81Å; T571-L575 HydrophobicContact CG2-CD2 4.15Å; T571-K576 HydrophobicContact CG2-CG 4.43Å; T571-K576 WeakPolarHBondContact O-CE 3.4Å; T571-K576 PolarHBondContact O-NZ 3.16Å
572	P	92.1	Very high	90.2	Very high	52 Å²	52	54.2 Å²	54.2	34%	0.338	30%	0.302	S	S	.	.			trans	-59	134.5	-173.3	-28	35.8	0	0	0	114	S574 L575 K576 A650	P572-S574 PolarHBondContact O-N 3.42Å; P572-L575 WeakPolarHBondContact O-CB 3.43Å; P572-L575 PolarHBondContact O-N 3.1Å; P572-K576 PolarHBondContact O-N 3.36Å; P572-K576 VanDerWaalsContact O-N 3.07Å; P572-A650 HydrophobicContact CG-CB 4.16Å
573	D	90.6	Very high	90.4	Very high	101 Å²	101	51.8 Å²	51.8	54%	0.54	29%	0.291	S	S	.	.	H	α-helix	trans	-65.1	-21.6	177.6	-62.1	-30.1	0	0	0	112.5	T571 K576 N577	T571-D573 PolarHBondContact O-N 2.81Å; D573-K576 WeakPolarHBondContact OD1-CD 3.44Å; D573-K576 IonicContact OD1-NZ 2.76Å; D573-K576 PolarHBondContact OD1-NZ 3.35Å; D573-N577 VanDerWaalsContact O-CB 3.28Å; D573-N577 WeakPolarHBondContact O-CB 3.26Å; D573-N577 PolarHBondContact O-N 3.13Å; D573-N577 PolarHBondContact O-ND2 3.09Å
574	S	90.7	Very high	90.5	Very high	55 Å²	55	53 Å²	53	39%	0.385	29%	0.291	S	S	.	.	H	α-helix	trans	-57.1	-50.2	168.2	58.3	0	0	0	0	110.9	P572 T578 E646	P572-S574 PolarHBondContact O-N 3.42Å; S574-T578 VanDerWaalsContact O-CB 3.26Å; S574-T578 WeakPolarHBondContact O-CB 3.47Å; S574-T578 PolarHBondContact O-N 3.39Å; S574-T578 PolarHBondContact O-OG1 2.81Å; S574-E646 PolarHBondContact OG-OE2 3.38Å
575	L	90.9	Very high	90.7	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-67	-46.7	179	-180	60.2	0	0	0	111.3	T571 P572 N577 T578 I579 E646 L647 A650	T571-L575 HydrophobicContact CG2-CD2 4.15Å; P572-L575 WeakPolarHBondContact O-CB 3.43Å; P572-L575 PolarHBondContact O-N 3.1Å; L575-N577 PolarHBondContact O-N 2.74Å; L575-T578 PolarHBondContact O-N 3.17Å; L575-I579 HydrophobicContact CD1-CD1 3.79Å; L575-I579 HydrophobicContact CD1-CG1 4.12Å; L575-I579 HydrophobicContact CG-CD1 3.92Å; L575-I579 WeakPolarHBondContact O-CG1 3.49Å; L575-I579 PolarHBondContact O-N 3.41Å; L575-E646 HydrophobicContact CB-CB 4.49Å; L575-E646 HydrophobicContact CD1-CB 3.94Å; L575-L647 HydrophobicContact CD1-CB 4.22Å; L575-L647 HydrophobicContact CD2-CB 4.47Å; L575-L647 HydrophobicContact CD2-CD1 3.95Å; L575-A650 HydrophobicContact CD2-CB 3.89Å
576	K	91.3	Very high	91	Very high	31 Å²	31	52.9 Å²	52.9	14%	0.135	29%	0.291	C	S	.	.	H	α-helix	trans	-53.9	-52.3	177.2	-63.1	-178.8	-168.9	142.6	0	111.3	V565 D568 T571 P572 D573 L580	V565-K576 HydrophobicContact CG1-CG 3.8Å; D568-K576 VanDerWaalsContact O-CE 3.26Å; D568-K576 WeakPolarHBondContact O-CE 3.3Å; D568-K576 PolarHBondContact O-NZ 3.02Å; D568-K576 VanDerWaalsContact O-NZ 3.15Å; T571-K576 HydrophobicContact CG2-CG 4.43Å; T571-K576 WeakPolarHBondContact O-CE 3.4Å; T571-K576 PolarHBondContact O-NZ 3.16Å; P572-K576 PolarHBondContact O-N 3.36Å; P572-K576 VanDerWaalsContact O-N 3.07Å; D573-K576 WeakPolarHBondContact OD1-CD 3.44Å; D573-K576 IonicContact OD1-NZ 2.76Å; D573-K576 PolarHBondContact OD1-NZ 3.35Å; K576-L580 WeakPolarHBondContact O-CB 3.46Å; K576-L580 PolarHBondContact O-N 3Å; K576-L580 VanDerWaalsContact O-N 3.11Å
577	N	91.3	Very high	91.5	Very high	98 Å²	98	51.9 Å²	51.9	52%	0.524	27%	0.272	S	S	.	.	H	α-helix	trans	-70.2	-32.6	-178.6	-71.7	-56.4	0	0	0	112.9	D573 L575 S581	D573-N577 VanDerWaalsContact O-CB 3.28Å; D573-N577 WeakPolarHBondContact O-CB 3.26Å; D573-N577 PolarHBondContact O-N 3.13Å; D573-N577 PolarHBondContact O-ND2 3.09Å; L575-N577 PolarHBondContact O-N 2.74Å; N577-S581 VanDerWaalsContact O-CB 3.28Å; N577-S581 WeakPolarHBondContact O-CB 3.29Å; N577-S581 PolarHBondContact O-N 3.22Å; N577-S581 PolarHBondContact O-OG 2.96Å
578	T	92.1	Very high	91.9	Very high	34 Å²	34	52.3 Å²	52.3	21%	0.209	27%	0.274	C	S	.	.	H	α-helix	trans	-70.1	-41.4	177.6	-55.9	0	0	0	0	111.4	S574 L575 T582 I643	S574-T578 VanDerWaalsContact O-CB 3.26Å; S574-T578 WeakPolarHBondContact O-CB 3.47Å; S574-T578 PolarHBondContact O-N 3.39Å; S574-T578 PolarHBondContact O-OG1 2.81Å; L575-T578 PolarHBondContact O-N 3.17Å; T578-T582 WeakPolarHBondContact O-CB 3.31Å; T578-T582 PolarHBondContact O-N 3.12Å; T578-T582 PolarHBondContact O-OG1 2.87Å; T578-I643 HydrophobicContact CG2-CG1 3.8Å
579	I	92.5	Very high	92.4	Very high	6 Å²	6	53.2 Å²	53.2	3%	0.031	28%	0.277	C	S	.	.	H	α-helix	trans	-60.5	-55.2	172.8	-66.9	164.2	0	0	0	109.9	V557 F561 L575 S581 T582 F583 I643	V557-I579 HydrophobicContact CG1-CG2 3.89Å; F561-I579 HydrophobicContact CD1-CD1 4.43Å; F561-I579 HydrophobicContact CE1-CD1 3.91Å; L575-I579 HydrophobicContact CD1-CD1 3.79Å; L575-I579 HydrophobicContact CD1-CG1 4.12Å; L575-I579 HydrophobicContact CG-CD1 3.92Å; L575-I579 WeakPolarHBondContact O-CG1 3.49Å; L575-I579 PolarHBondContact O-N 3.41Å; I579-S581 PolarHBondContact O-N 3.06Å; I579-T582 PolarHBondContact O-N 3.05Å; I579-F583 WeakPolarHBondContact O-CB 3.41Å; I579-F583 PolarHBondContact O-N 3.01Å; I579-I643 HydrophobicContact CG1-CD1 4.47Å; I579-I643 HydrophobicContact CG1-CG1 4.45Å; I579-I643 HydrophobicContact CG1-CG2 3.94Å
580	L	91.9	Very high	93	Very high	65 Å²	65	45.5 Å²	45.5	34%	0.34	24%	0.241	S	C	.	.	H	α-helix	trans	-53	-57	-179.8	-94.3	162.9	0	0	0	112.9	Q562 K576 T582 E584	Q562-L580 VanDerWaalsContact OE1-CD2 3.27Å; K576-L580 WeakPolarHBondContact O-CB 3.46Å; K576-L580 PolarHBondContact O-N 3Å; K576-L580 VanDerWaalsContact O-N 3.11Å; L580-T582 PolarHBondContact O-N 3.27Å; L580-E584 VanDerWaalsContact O-CB 3.31Å; L580-E584 WeakPolarHBondContact O-CB 3.44Å; L580-E584 PolarHBondContact O-N 2.82Å; L580-E584 VanDerWaalsContact O-N 3.1Å
581	S	92.6	Very high	93.7	Very high	61 Å²	61	43.8 Å²	43.8	43%	0.427	24%	0.238	S	C	.	.	H	α-helix	trans	-69.3	-15.1	-175.1	62.3	0	0	0	0	114	N577 I579 N636	N577-S581 VanDerWaalsContact O-CB 3.28Å; N577-S581 WeakPolarHBondContact O-CB 3.29Å; N577-S581 PolarHBondContact O-N 3.22Å; N577-S581 PolarHBondContact O-OG 2.96Å; I579-S581 PolarHBondContact O-N 3.06Å; S581-N636 PolarHBondContact O-ND2 2.82Å
582	T	93.9	Very high	94.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-94.3	-49	178	-58.7	0	0	0	0	111.6	T578 I579 L580 N636 K639 H640 I643	T578-T582 WeakPolarHBondContact O-CB 3.31Å; T578-T582 PolarHBondContact O-N 3.12Å; T578-T582 PolarHBondContact O-OG1 2.87Å; I579-T582 PolarHBondContact O-N 3.05Å; L580-T582 PolarHBondContact O-N 3.27Å; T582-N636 HydrophobicContact CG2-CB 4.46Å; T582-N636 WeakPolarHBondContact CG2-O 3.4Å; T582-K639 HydrophobicContact CG2-CB 4.32Å; T582-H640 WeakPolarHBondContact CG2-CD2 3.39Å; T582-H640 WeakPolarHBondContact CG2-NE2 3.29Å; T582-I643 HydrophobicContact CG2-CD1 3.8Å
583	F	95.1	Very high	94.4	Very high	1 Å²	1	42.3 Å²	42.3	0%	0.004	23%	0.231	C	C	.	.	H	α-helix	trans	-83.5	-37.8	-173.5	-89.5	-98.2	0	0	0	114.6	L554 V557 T558 I579 L586 H587 H640 I643 P681	L554-F583 HydrophobicContact CD2-CD1 3.97Å; L554-F583 HydrophobicContact CD2-CE1 3.87Å; V557-F583 HydrophobicContact CB-CD1 3.96Å; V557-F583 HydrophobicContact CB-CE1 3.96Å; V557-F583 HydrophobicContact CB-CG 4.47Å; V557-F583 HydrophobicContact CB-CZ 4.47Å; V557-F583 HydrophobicContact CG1-CD1 3.9Å; V557-F583 HydrophobicContact CG1-CD2 4.05Å; V557-F583 HydrophobicContact CG1-CE1 4Å; V557-F583 HydrophobicContact CG1-CE2 4.14Å; V557-F583 HydrophobicContact CG1-CG 3.93Å; V557-F583 HydrophobicContact CG1-CZ 4.13Å; V557-F583 HydrophobicContact CG2-CD1 4.39Å; V557-F583 HydrophobicContact CG2-CE1 3.87Å; V557-F583 HydrophobicContact CG2-CZ 4.2Å; T558-F583 HydrophobicContact CG2-CB 3.67Å; T558-F583 HydrophobicContact CG2-CD1 4.45Å; T558-F583 HydrophobicContact CG2-CG 4.5Å; I579-F583 WeakPolarHBondContact O-CB 3.41Å; I579-F583 PolarHBondContact O-N 3.01Å; F583-L586 WeakPolarHBondContact O-CB 3.4Å; F583-L586 PolarHBondContact O-N 3.29Å; F583-L586 VanDerWaalsContact O-N 3.16Å; F583-H587 WeakPolarHBondContact O-CB 2.98Å; F583-H587 PolarHBondContact O-N 3.31Å; F583-H640 AromaticContact CD2-CE1 3.97Å; F583-H640 AromaticContact CE2-CE1 3.34Å; F583-H640 WeakPolarHBondContact CE2-CE1 3.46Å; F583-H640 AromaticContact CE2-ND1 3.64Å; F583-H640 AromaticContact CZ-CE1 3.43Å; F583-H640 VanDerWaalsContact CZ-CE1 3.43Å; F583-H640 WeakPolarHBondContact CZ-CE1 3.24Å; F583-H640 AromaticContact CZ-ND1 3.73Å; F583-I643 HydrophobicContact CD2-CD1 3.94Å; F583-I643 HydrophobicContact CE2-CD1 3.79Å; F583-P681 HydrophobicContact CE1-CG 4.18Å; F583-P681 HydrophobicContact CZ-CG 4.43Å
584	E	93.8	Very high	94.8	Very high	80 Å²	80	38.4 Å²	38.4	37%	0.374	21%	0.21	S	C	.	.	H	α-helix	trans	-63.1	-40.1	-173.8	-176.6	55.2	-153.2	0	0	113.6	L580 L586 H587 K588	L580-E584 VanDerWaalsContact O-CB 3.31Å; L580-E584 WeakPolarHBondContact O-CB 3.44Å; L580-E584 PolarHBondContact O-N 2.82Å; L580-E584 VanDerWaalsContact O-N 3.1Å; E584-L586 VanDerWaalsContact C-N 3.32Å; E584-L586 PolarHBondContact O-N 2.88Å; E584-H587 PolarHBondContact O-N 2.98Å; E584-H587 IonicContact OE2-ND1 2.88Å; E584-K588 WeakPolarHBondContact O-CB 3.42Å; E584-K588 PolarHBondContact O-N 3.25Å
585	P	95.8	Very high	95.1	Very high	46 Å²	46	43.7 Å²	43.7	30%	0.299	22%	0.222	S	C	.	.	H	α-helix	trans	-61.3	-38.5	173.5	-24.4	36.2	0	0	0	113.2	F589 L633	P585-F589 WeakPolarHBondContact O-CB 3.26Å; P585-F589 PolarHBondContact O-N 3.39Å; P585-L633 HydrophobicContact CB-CD2 3.97Å
586	L	96.3	Very high	95.4	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-68.3	-50	177.8	-66.2	171.9	0	0	0	110.7	F583 E584 K588 F589 H590 L630 L633 M637 P681	F583-L586 WeakPolarHBondContact O-CB 3.4Å; F583-L586 PolarHBondContact O-N 3.29Å; F583-L586 VanDerWaalsContact O-N 3.16Å; E584-L586 VanDerWaalsContact C-N 3.32Å; E584-L586 PolarHBondContact O-N 2.88Å; L586-K588 VanDerWaalsContact C-N 3.32Å; L586-K588 PolarHBondContact O-N 3.26Å; L586-F589 PolarHBondContact O-N 3.04Å; L586-F589 VanDerWaalsContact O-N 3.14Å; L586-H590 PolarHBondContact O-CD2 2.82Å; L586-H590 PolarHBondContact O-N 3.07Å; L586-L630 HydrophobicContact CD2-CD1 4.38Å; L586-L633 HydrophobicContact CD2-CB 4.01Å; L586-L633 HydrophobicContact CD2-CD1 4.23Å; L586-M637 HydrophobicContact CD1-CG 4.49Å; L586-M637 HydrophobicContact CD2-CE 3.99Å; L586-M637 HydrophobicContact CD2-CG 4.37Å; L586-P681 HydrophobicContact CD1-CB 4.03Å; L586-P681 HydrophobicContact CD1-CG 4.24Å
587	H	96.8	Very high	95.6	Very high	31 Å²	31	44.6 Å²	44.6	14%	0.144	23%	0.226	C	C	.	.	H	α-helix	trans	-55.6	-45.9	177	173.5	-117.1	0	0	0	112	L554 T558 F583 E584 T591	L554-H587 HydrophobicContact CD1-CB 4.26Å; T558-H587 HydrophobicContact CG2-CB 4.02Å; F583-H587 WeakPolarHBondContact O-CB 2.98Å; F583-H587 PolarHBondContact O-N 3.31Å; E584-H587 PolarHBondContact O-N 2.98Å; E584-H587 IonicContact OE2-ND1 2.88Å; H587-T591 WeakPolarHBondContact O-CB 3.36Å; H587-T591 PolarHBondContact O-N 3.16Å; H587-T591 PolarHBondContact O-OG1 3.29Å
588	K	96.6	Very high	95.8	Very high	158 Å²	158	43 Å²	43	69%	0.687	22%	0.216	S	C	*	.	H	α-helix	trans	-62.5	-43	174.8	-175.4	176.1	-179.7	177.6	0	113	E584 L586 G592	E584-K588 WeakPolarHBondContact O-CB 3.42Å; E584-K588 PolarHBondContact O-N 3.25Å; L586-K588 VanDerWaalsContact C-N 3.32Å; L586-K588 PolarHBondContact O-N 3.26Å; K588-G592 PolarHBondContact O-N 2.98Å
589	F	97.6	Very high	95.9	Very high	33 Å²	33	47.2 Å²	47.2	15%	0.145	23%	0.233	C	C	.	.	H	α-helix	trans	-62.1	-53.3	176.1	166.9	-91.9	0	0	0	111.6	P585 L586 T591 G592 F593 N626 A629 L630 L633	P585-F589 WeakPolarHBondContact O-CB 3.26Å; P585-F589 PolarHBondContact O-N 3.39Å; L586-F589 PolarHBondContact O-N 3.04Å; L586-F589 VanDerWaalsContact O-N 3.14Å; F589-T591 VanDerWaalsContact C-N 3.3Å; F589-T591 PolarHBondContact O-N 2.92Å; F589-G592 WeakPolarHBondContact O-CA 3.32Å; F589-G592 PolarHBondContact O-N 2.88Å; F589-F593 HydrophobicContact CE1-CB 4.39Å; F589-F593 HydrophobicContact CZ-CB 4.48Å; F589-F593 PolarHBondContact O-N 3.26Å; F589-N626 HydrophobicContact CE2-CB 4.47Å; F589-N626 WeakPolarHBondContact CE2-O 3.36Å; F589-N626 HydrophobicContact CZ-CB 4.09Å; F589-N626 VanDerWaalsContact CZ-O 3.25Å; F589-N626 WeakPolarHBondContact CZ-O 3.14Å; F589-A629 HydrophobicContact CE2-CB 4.08Å; F589-L630 HydrophobicContact CD1-CD1 3.95Å; F589-L630 HydrophobicContact CE1-CB 4.29Å; F589-L630 HydrophobicContact CE1-CD1 3.75Å; F589-L630 HydrophobicContact CE1-CD2 4.5Å; F589-L630 HydrophobicContact CE1-CG 4.41Å; F589-L630 HydrophobicContact CE2-CB 4.36Å; F589-L630 HydrophobicContact CZ-CB 3.89Å; F589-L630 HydrophobicContact CZ-CD1 4.19Å; F589-L630 HydrophobicContact CZ-CG 4.5Å; F589-L633 HydrophobicContact CB-CD1 3.75Å; F589-L633 HydrophobicContact CD2-CD1 4.25Å; F589-L633 HydrophobicContact CG-CD1 3.93Å
590	H	98.1	Very high	95.8	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-66.8	-31	-176.1	-73.8	-78.1	0	0	0	112.6	E547 Y550 L551 L554 L586 G592 F593 L594 Y688	E547-H590 IonicContact OE1-CE1 3.2Å; E547-H590 IonicContact OE1-CG 3.83Å; E547-H590 IonicContact OE1-ND1 3.91Å; E547-H590 PolarHBondContact OE1-ND1 3.41Å; Y550-H590 HydrophobicContact CE1-CB 4.2Å; Y550-H590 AromaticContact CE1-CD2 3.57Å; Y550-H590 AromaticContact CE1-CE1 3.49Å; Y550-H590 VanDerWaalsContact CE1-CE1 3.49Å; Y550-H590 WeakPolarHBondContact CE1-CE1 3.43Å; Y550-H590 AromaticContact CE1-CG 3.56Å; Y550-H590 AromaticContact CE1-ND1 3.49Å; Y550-H590 WeakPolarHBondContact CE1-ND1 3.44Å; Y550-H590 AromaticContact CE1-NE2 3.54Å; Y550-H590 AromaticContact CZ-NE2 3.78Å; Y550-H590 PolarHBondContact OH-CD2 3.21Å; Y550-H590 PolarHBondContact OH-NE2 2.98Å; Y550-H590 VanDerWaalsContact OH-NE2 3.12Å; L551-H590 HydrophobicContact CD1-CB 3.44Å; L551-H590 VanDerWaalsContact CD1-CB 3.44Å; L554-H590 HydrophobicContact CD1-CB 4.35Å; L586-H590 PolarHBondContact O-CD2 2.82Å; L586-H590 PolarHBondContact O-N 3.07Å; H590-G592 VanDerWaalsContact C-N 3.31Å; H590-G592 PolarHBondContact O-N 3.26Å; H590-F593 PolarHBondContact O-N 2.54Å; H590-L594 VanDerWaalsContact O-CB 3.3Å; H590-L594 WeakPolarHBondContact O-CB 3.15Å; H590-L594 PolarHBondContact O-N 2.87Å; H590-Y688 PolarHBondContact CE1-OH 2.92Å; H590-Y688 PolarHBondContact ND1-OH 3.23Å; H590-Y688 VanDerWaalsContact ND1-OH 3.13Å
591	T	98.1	Very high	95.8	Very high	64 Å²	64	45.7 Å²	45.7	39%	0.393	22%	0.223	S	C	.	.	H	α-helix	trans	-60.7	-40.3	169.6	-58.6	0	0	0	0	111.6	H587 F589 R595	H587-T591 WeakPolarHBondContact O-CB 3.36Å; H587-T591 PolarHBondContact O-N 3.16Å; H587-T591 PolarHBondContact O-OG1 3.29Å; F589-T591 VanDerWaalsContact C-N 3.3Å; F589-T591 PolarHBondContact O-N 2.92Å; T591-R595 PolarHBondContact O-N 2.87Å
592	G	98.1	Very high	95.6	Very high	19 Å²	19	44.8 Å²	44.8	20%	0.196	22%	0.219	C	C	.	.	H	α-helix	trans	-66.3	-48.2	173.9	0	0	0	0	0	112.6	K588 F589 H590 R595 E596	K588-G592 PolarHBondContact O-N 2.98Å; F589-G592 WeakPolarHBondContact O-CA 3.32Å; F589-G592 PolarHBondContact O-N 2.88Å; H590-G592 VanDerWaalsContact C-N 3.31Å; H590-G592 PolarHBondContact O-N 3.26Å; G592-R595 PolarHBondContact O-N 2.94Å; G592-E596 PolarHBondContact O-N 2.8Å
593	F	98.4	Very high	95.2	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.018	23%	0.233	C	C	.	.	H	α-helix	trans	-62.9	-46.4	-179.7	171.9	-122.3	0	0	0	112.8	L543 E547 F589 H590 R595 E596 V597 V622 M623 N626 Y688	L543-F593 HydrophobicContact CD1-CE1 4.41Å; L543-F593 HydrophobicContact CD1-CZ 4.21Å; L543-F593 HydrophobicContact CD2-CZ 4.26Å; E547-F593 HydrophobicContact CG-CD1 4.19Å; E547-F593 HydrophobicContact CG-CE1 4.3Å; E547-F593 WeakPolarHBondContact OE1-CD1 3.25Å; F589-F593 HydrophobicContact CE1-CB 4.39Å; F589-F593 HydrophobicContact CZ-CB 4.48Å; F589-F593 PolarHBondContact O-N 3.26Å; H590-F593 PolarHBondContact O-N 2.54Å; F593-R595 VanDerWaalsContact C-N 3.26Å; F593-R595 PolarHBondContact O-N 2.83Å; F593-E596 PolarHBondContact O-N 2.78Å; F593-V597 HydrophobicContact CD2-CG2 4.01Å; F593-V597 HydrophobicContact CE1-CG2 4.32Å; F593-V597 HydrophobicContact CE2-CG2 3.56Å; F593-V597 HydrophobicContact CZ-CG2 3.73Å; F593-V597 PolarHBondContact O-N 3.02Å; F593-V622 HydrophobicContact CD2-CG1 4.49Å; F593-V622 HydrophobicContact CE2-CG1 4.22Å; F593-M623 HydrophobicContact CE2-SD 4.16Å; F593-M623 HydrophobicContact CZ-SD 3.7Å; F593-N626 HydrophobicContact CD2-CB 3.53Å; F593-N626 VanDerWaalsContact CD2-CG 3.46Å; F593-N626 HydrophobicContact CE2-CB 3.93Å; F593-N626 HydrophobicContact CG-CB 4.28Å; F593-Y688 AromaticContact CE1-CE1 3.81Å; F593-Y688 HydrophobicContact CE1-CE1 3.81Å; F593-Y688 AromaticContact CE1-CZ 3.76Å; F593-Y688 WeakPolarHBondContact CE1-OH 3.46Å; F593-Y688 HydrophobicContact CZ-CE1 4.38Å
594	L	98.3	Very high	94.8	Very high	18 Å²	18	47.8 Å²	47.8	9%	0.094	23%	0.234	C	C	.	.	H	α-helix	trans	-53.2	-45.5	175.6	173.1	61.2	0	0	0	111.3	L544 E547 R548 L551 H590 E596 V597 E598	L544-L594 HydrophobicContact CD1-CD1 3.55Å; E547-L594 HydrophobicContact CB-CD1 4.06Å; E547-L594 HydrophobicContact CG-CB 4.01Å; E547-L594 HydrophobicContact CG-CD1 4.03Å; R548-L594 HydrophobicContact CG-CD1 3.74Å; R548-L594 HydrophobicContact CG-CD2 4.14Å; L551-L594 HydrophobicContact CD2-CD2 3.8Å; H590-L594 VanDerWaalsContact O-CB 3.3Å; H590-L594 WeakPolarHBondContact O-CB 3.15Å; H590-L594 PolarHBondContact O-N 2.87Å; L594-E596 VanDerWaalsContact C-N 3.32Å; L594-E596 PolarHBondContact O-N 3.47Å; L594-V597 PolarHBondContact O-N 3.4Å; L594-E598 HydrophobicContact CD1-CG 4.06Å; L594-E598 HydrophobicContact CG-CG 4.4Å; L594-E598 WeakPolarHBondContact O-CB 3.46Å; L594-E598 WeakPolarHBondContact O-CG 3.34Å; L594-E598 PolarHBondContact O-N 3.37Å
595	R	97.6	Very high	94.2	Very high	167 Å²	167	46.1 Å²	46.1	63%	0.63	23%	0.226	S	C	*	.	H	α-helix	trans	-62.9	-36.1	178.7	-175.1	-177.8	62.9	-167.4	-3.7	112.6	T591 G592 F593 Q599	T591-R595 PolarHBondContact O-N 2.87Å; G592-R595 PolarHBondContact O-N 2.94Å; F593-R595 VanDerWaalsContact C-N 3.26Å; F593-R595 PolarHBondContact O-N 2.83Å; R595-Q599 VanDerWaalsContact O-CB 3.29Å; R595-Q599 WeakPolarHBondContact O-CB 3.5Å; R595-Q599 PolarHBondContact O-N 3.13Å
596	E	97	Very high	92.8	Very high	50 Å²	50	46.2 Å²	46.2	23%	0.234	24%	0.236	C	C	.	.	H	α-helix	trans	-68.9	-40.7	175	-66.8	-171.7	-178.3	0	0	112	G592 F593 L594 Q599 R600 V622 K625 N626	G592-E596 PolarHBondContact O-N 2.8Å; F593-E596 PolarHBondContact O-N 2.78Å; L594-E596 VanDerWaalsContact C-N 3.32Å; L594-E596 PolarHBondContact O-N 3.47Å; E596-Q599 PolarHBondContact O-N 2.75Å; E596-R600 WeakPolarHBondContact O-CB 3.48Å; E596-R600 PolarHBondContact O-N 2.77Å; E596-V622 HydrophobicContact CB-CG1 4.04Å; E596-K625 IonicContact OE1-NZ 3.32Å; E596-K625 PolarHBondContact OE1-NZ 2.84Å; E596-K625 IonicContact OE2-NZ 3.13Å; E596-K625 PolarHBondContact OE2-NZ 3.29Å; E596-N626 PolarHBondContact OE2-ND2 3.29Å
597	V	96.8	Very high	90.9	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.6	-42.6	175	176.8	0	0	0	0	111.3	L543 L544 F593 L594 R600 L601 V622	L543-V597 HydrophobicContact CD2-CG1 4.11Å; L543-V597 HydrophobicContact CD2-CG2 4.01Å; L543-V597 HydrophobicContact CG-CG1 4.41Å; L544-V597 HydrophobicContact CB-CG1 3.9Å; L544-V597 HydrophobicContact CD1-CG1 4.36Å; F593-V597 HydrophobicContact CD2-CG2 4.01Å; F593-V597 HydrophobicContact CE1-CG2 4.32Å; F593-V597 HydrophobicContact CE2-CG2 3.56Å; F593-V597 HydrophobicContact CZ-CG2 3.73Å; F593-V597 PolarHBondContact O-N 3.02Å; L594-V597 PolarHBondContact O-N 3.4Å; V597-R600 PolarHBondContact O-N 3.2Å; V597-L601 HydrophobicContact CG1-CD1 4.08Å; V597-L601 PolarHBondContact O-N 2.71Å; V597-V622 HydrophobicContact CG2-CG1 4.28Å
598	E	95.1	Very high	88.8	Confident	66 Å²	66	56.4 Å²	56.4	31%	0.308	28%	0.281	S	S	.	.	H	α-helix	trans	-61.4	-46.4	174.5	-76.9	-172.5	157.3	0	0	112.2	L544 R548 L594 R600 L601 A602	L544-E598 HydrophobicContact CD1-CG 3.35Å; R548-E598 IonicContact CZ-OE1 3.75Å; R548-E598 IonicContact NE-OE1 3.47Å; R548-E598 PolarHBondContact NE-OE1 3.05Å; R548-E598 IonicContact NH2-OE1 2.82Å; R548-E598 PolarHBondContact NH2-OE1 3.13Å; L594-E598 HydrophobicContact CD1-CG 4.06Å; L594-E598 HydrophobicContact CG-CG 4.4Å; L594-E598 WeakPolarHBondContact O-CB 3.46Å; L594-E598 WeakPolarHBondContact O-CG 3.34Å; L594-E598 PolarHBondContact O-N 3.37Å; E598-R600 PolarHBondContact O-N 3.17Å; E598-L601 PolarHBondContact O-N 2.81Å; E598-A602 WeakPolarHBondContact O-CB 3.38Å; E598-A602 PolarHBondContact O-N 2.81Å
599	Q	92.8	Very high	86.2	Confident	122 Å²	122	57.1 Å²	57.1	57%	0.57	29%	0.293	S	S	*	.	H	α-helix	trans	-61.2	-44.5	176.5	-177.1	176.7	-2.9	0	0	111.3	R595 E596 A602 I603	R595-Q599 VanDerWaalsContact O-CB 3.29Å; R595-Q599 WeakPolarHBondContact O-CB 3.5Å; R595-Q599 PolarHBondContact O-N 3.13Å; E596-Q599 PolarHBondContact O-N 2.75Å; Q599-A602 PolarHBondContact O-N 3.06Å; Q599-I603 HydrophobicContact CG-CD1 4.14Å; Q599-I603 WeakPolarHBondContact O-CD1 3.38Å; Q599-I603 WeakPolarHBondContact O-CG1 3.41Å; Q599-I603 PolarHBondContact O-N 3.47Å
600	R	91.6	Very high	83.8	Confident	34 Å²	34	59.1 Å²	59.1	13%	0.128	32%	0.316	C	S	.	.	H	α-helix	trans	-61.8	-46.8	178.9	-179.7	56.6	67.4	82.1	-4.6	111.9	E596 V597 E598 I603 W604 C616 R618 I619 D621	E596-R600 WeakPolarHBondContact O-CB 3.48Å; E596-R600 PolarHBondContact O-N 2.77Å; V597-R600 PolarHBondContact O-N 3.2Å; E598-R600 PolarHBondContact O-N 3.17Å; R600-I603 PolarHBondContact O-N 3.24Å; R600-W604 PolarHBondContact O-N 2.77Å; R600-C616 VanDerWaalsContact CD-O 3.3Å; R600-C616 WeakPolarHBondContact CD-O 3.34Å; R600-R618 WeakPolarHBondContact CD-O 3.32Å; R600-R618 WeakPolarHBondContact CG-O 3.4Å; R600-R618 PolarHBondContact NH1-O 2.93Å; R600-I619 HydrophobicContact CB-CD1 4.26Å; R600-I619 HydrophobicContact CG-CD1 3.87Å; R600-D621 IonicContact CZ-OD1 3.58Å; R600-D621 IonicContact CZ-OD2 2.71Å; R600-D621 IonicContact NH1-OD1 2.72Å; R600-D621 PolarHBondContact NH1-OD1 3.06Å; R600-D621 IonicContact NH1-OD2 3.08Å; R600-D621 PolarHBondContact NH1-OD2 2.82Å; R600-D621 IonicContact NH2-OD1 3.8Å; R600-D621 PolarHBondContact NH2-OD1 2.98Å; R600-D621 IonicContact NH2-OD2 2.59Å; R600-D621 PolarHBondContact NH2-OD2 2.76Å
601	L	91.2	Very high	81.4	Confident	5 Å²	5	68.2 Å²	68.2	3%	0.026	36%	0.358	C	S	.	.	H	α-helix	trans	-69.2	-33.4	179.1	-75.6	164.7	0	0	0	113.2	Y537 A540 L544 V597 E598 I603 W604 E605	Y537-L601 HydrophobicContact CD2-CD2 3.69Å; Y537-L601 HydrophobicContact CE2-CD2 3.79Å; A540-L601 HydrophobicContact CB-CD2 3.99Å; L544-L601 HydrophobicContact CB-CD1 3.59Å; L544-L601 HydrophobicContact CD2-CD1 3.57Å; L544-L601 HydrophobicContact CG-CD1 4.15Å; V597-L601 HydrophobicContact CG1-CD1 4.08Å; V597-L601 PolarHBondContact O-N 2.71Å; E598-L601 PolarHBondContact O-N 2.81Å; L601-I603 VanDerWaalsContact C-N 3.29Å; L601-I603 PolarHBondContact O-N 2.88Å; L601-W604 HydrophobicContact CD2-CE3 4.12Å; L601-W604 PolarHBondContact O-N 2.69Å; L601-E605 WeakPolarHBondContact O-CB 3.34Å; L601-E605 WeakPolarHBondContact O-CG 3.24Å; L601-E605 PolarHBondContact O-N 3.32Å
602	A	88.6	Confident	79.3	Confident	42 Å²	42	70.9 Å²	70.9	35%	0.347	37%	0.368	S	S	.	.	H	α-helix	trans	-63.5	-34.8	174.1	0	0	0	0	0	112.7	E598 Q599 R607	E598-A602 WeakPolarHBondContact O-CB 3.38Å; E598-A602 PolarHBondContact O-N 2.81Å; Q599-A602 PolarHBondContact O-N 3.06Å; A602-R607 PolarHBondContact O-N 3.13Å
603	I	86	Confident	77.2	Confident	55 Å²	55	78.4 Å²	78.4	28%	0.282	40%	0.396	S	S	.	.	H	α-helix	trans	-72.9	-43.2	173	-62.2	163.4	0	0	0	110.4	Q599 R600 L601 E605 G606 C616	Q599-I603 HydrophobicContact CG-CD1 4.14Å; Q599-I603 WeakPolarHBondContact O-CD1 3.38Å; Q599-I603 WeakPolarHBondContact O-CG1 3.41Å; Q599-I603 PolarHBondContact O-N 3.47Å; R600-I603 PolarHBondContact O-N 3.24Å; L601-I603 VanDerWaalsContact C-N 3.29Å; L601-I603 PolarHBondContact O-N 2.88Å; I603-E605 VanDerWaalsContact C-N 3.31Å; I603-E605 PolarHBondContact O-N 3.27Å; I603-G606 WeakPolarHBondContact O-CA 3.33Å; I603-G606 PolarHBondContact O-N 2.76Å; I603-C616 HydrophobicContact CG2-CB 3.61Å
604	W	86.6	Confident	75.2	Confident	8 Å²	8	80.5 Å²	80.5	3%	0.03	42%	0.418	C	S	.	.	H	α-helix	trans	-61.4	-36.6	178	-156.7	-21.1	0	0	0	112.2	P532 A536 Y537 A540 R600 L601 G606 Q617 I619	P532-W604 HydrophobicContact CG-CG 4.47Å; A536-W604 HydrophobicContact CB-CH2 4.14Å; A536-W604 HydrophobicContact CB-CZ2 4.41Å; Y537-W604 HydrophobicContact CD2-CD2 4.26Å; Y537-W604 HydrophobicContact CD2-CG 4.21Å; A540-W604 HydrophobicContact CB-CZ3 4.01Å; R600-W604 PolarHBondContact O-N 2.77Å; L601-W604 HydrophobicContact CD2-CE3 4.12Å; L601-W604 PolarHBondContact O-N 2.69Å; W604-G606 PolarHBondContact O-N 2.67Å; W604-Q617 HydrophobicContact CD2-CB 4.45Å; W604-Q617 HydrophobicContact CG-CG 4.41Å; W604-Q617 VanDerWaalsContact CZ2-C 3.48Å; W604-Q617 HydrophobicContact CZ2-CB 4.26Å; W604-Q617 WeakPolarHBondContact CZ2-O 3.42Å; W604-I619 HydrophobicContact CZ3-CB 4.33Å
605	E	81.3	Confident	73.4	Confident	46 Å²	46	84.6 Å²	84.6	22%	0.215	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-4.1	171.6	-74.5	-173.2	-174	0	0	114.4	Y537 L601 I603 R607	Y537-E605 HydrophobicContact CE2-CG 3.79Å; Y537-E605 PolarHBondContact OH-OE1 3.5Å; L601-E605 WeakPolarHBondContact O-CB 3.34Å; L601-E605 WeakPolarHBondContact O-CG 3.24Å; L601-E605 PolarHBondContact O-N 3.32Å; I603-E605 VanDerWaalsContact C-N 3.31Å; I603-E605 PolarHBondContact O-N 3.27Å; E605-R607 HydrophobicContact CB-CG 4.15Å; E605-R607 PolarHBondContact O-N 3.12Å; E605-R607 IonicContact OE2-CZ 3.33Å; E605-R607 IonicContact OE2-NE 2.74Å; E605-R607 PolarHBondContact OE2-NE 3.35Å; E605-R607 IonicContact OE2-NH2 3.07Å; E605-R607 PolarHBondContact OE2-NH2 2.93Å
606	G	67.2	Low	71.9	Confident	48 Å²	48	77.9 Å²	77.9	50%	0.495	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	24.8	177.2	0	0	0	0	0	114.6	I603 W604 S608	I603-G606 WeakPolarHBondContact O-CA 3.33Å; I603-G606 PolarHBondContact O-N 2.76Å; W604-G606 PolarHBondContact O-N 2.67Å; G606-S608 PolarHBondContact O-N 3.33Å
607	R	55.8	Low	71.3	Confident	186 Å²	186	79.9 Å²	79.9	70%	0.702	43%	0.428	S	S	*	.			trans	-76.3	-11	178.6	-57.6	-169	-171.9	-155.3	9.6	113.8	A602 E605	A602-R607 PolarHBondContact O-N 3.13Å; E605-R607 HydrophobicContact CB-CG 4.15Å; E605-R607 PolarHBondContact O-N 3.12Å; E605-R607 IonicContact OE2-CZ 3.33Å; E605-R607 IonicContact OE2-NE 2.74Å; E605-R607 PolarHBondContact OE2-NE 3.35Å; E605-R607 IonicContact OE2-NH2 3.07Å; E605-R607 PolarHBondContact OE2-NH2 2.93Å
608	S	52.1	Low	70.9	Confident	58 Å²	58	82.5 Å²	82.5	41%	0.406	44%	0.438	S	S	.	.	S	Bend	trans	-101.7	141	171.7	50	0	0	0	0	110.7	G606 A610	G606-S608 PolarHBondContact O-N 3.33Å; S608-A610 PolarHBondContact O-N 3.41Å; S608-A610 VanDerWaalsContact O-N 3.07Å
609	N	42.4	Very low	70.9	Confident	174 Å²	174	79.3 Å²	79.3	93%	0.93	42%	0.423	S	S	*	.			trans	-49	113.7	-176	-70.1	-29.2	0	0	0	112.4	H611	N609-H611 PolarHBondContact O-N 3.33Å
610	A	47.3	Very low	71	Confident	75 Å²	75	73.5 Å²	73.5	62%	0.62	40%	0.396	S	S	*	.	S	Bend	trans	-83.2	111.6	-160.3	0	0	0	0	0	113.5	S608	S608-A610 PolarHBondContact O-N 3.41Å; S608-A610 VanDerWaalsContact O-N 3.07Å
611	H	48.2	Very low	71.2	Confident	191 Å²	191	73.5 Å²	73.5	88%	0.884	40%	0.398	S	S	*	.			trans	-132.5	-23.4	158.7	-91.8	49.6	0	0	0	113.1	N609	N609-H611 PolarHBondContact O-N 3.33Å
612	I	54.1	Low	71.4	Confident	120 Å²	120	73.9 Å²	73.9	62%	0.615	40%	0.401	S	S	*	.			trans	-89.4	110.7	175.8	-53.4	172.7	0	0	0	108.4
613	K	52.6	Low	71.9	Confident	178 Å²	178	71.9 Å²	71.9	77%	0.774	38%	0.384	S	S	*	.			trans	-125	-0.2	-167	-140.2	-177.9	-177.6	-175.6	0	116.2
614	G	56.7	Low	72.4	Confident	48 Å²	48	70.6 Å²	70.6	50%	0.495	38%	0.378	S	S	.	.	S	Bend	trans	-107.7	-74.7	171.7	0	0	0	0	0	111.2	C616 Q617	G614-C616 PolarHBondContact O-N 3.08Å; G614-Q617 PolarHBondContact O-N 3.39Å
615	D	60.5	Low	72.9	Confident	103 Å²	103	75.3 Å²	75.3	55%	0.551	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-15.7	-162.2	-37.3	-8.2	0	0	0	116.5	R618	D615-R618 PolarHBondContact O-NE 3.43Å
616	C	67	Low	73.7	Confident	26 Å²	26	73.7 Å²	73.7	18%	0.176	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-2.7	-176.8	-66.4	0	0	0	0	114.5	R600 I603 G614 R618	R600-C616 VanDerWaalsContact CD-O 3.3Å; R600-C616 WeakPolarHBondContact CD-O 3.34Å; I603-C616 HydrophobicContact CG2-CB 3.61Å; G614-C616 PolarHBondContact O-N 3.08Å; C616-R618 PolarHBondContact O-N 2.87Å
617	Q	83	Confident	75.1	Confident	92 Å²	92	71.9 Å²	71.9	43%	0.43	37%	0.37	S	S	.	.	S	Bend	trans	-91.8	50.6	176.7	-60.3	-154.6	-23.3	0	0	111.5	W604 G614	W604-Q617 HydrophobicContact CD2-CB 4.45Å; W604-Q617 HydrophobicContact CG-CG 4.41Å; W604-Q617 VanDerWaalsContact CZ2-C 3.48Å; W604-Q617 HydrophobicContact CZ2-CB 4.26Å; W604-Q617 WeakPolarHBondContact CZ2-O 3.42Å; G614-Q617 PolarHBondContact O-N 3.39Å
618	R	89.3	Confident	77	Confident	55 Å²	55	67.9 Å²	67.9	21%	0.208	36%	0.36	C	S	.	.			trans	-155	167.2	-172.7	78.4	-178.7	-173.4	-161.3	4.8	111.6	R600 D615 C616 D621 E704 D705	R600-R618 WeakPolarHBondContact CD-O 3.32Å; R600-R618 WeakPolarHBondContact CG-O 3.4Å; R600-R618 PolarHBondContact NH1-O 2.93Å; D615-R618 PolarHBondContact O-NE 3.43Å; C616-R618 PolarHBondContact O-N 2.87Å; R618-D621 IonicContact CZ-OD2 3.15Å; R618-D621 IonicContact NE-OD2 2.67Å; R618-D621 PolarHBondContact NE-OD2 2.85Å; R618-D621 IonicContact NH2-OD2 3.36Å; R618-D621 PolarHBondContact NH2-OD2 3.36Å; R618-E704 IonicContact NH1-OE2 3.55Å; R618-E704 PolarHBondContact NH1-OE2 3.32Å; R618-D705 HydrophobicContact CB-CB 3.94Å
619	I	94.7	Very high	79	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.361	C	S	.	.			trans	-144.7	-16.2	-178.9	-163	62.2	0	0	0	114.9	A540 L543 R600 W604 D621 V622 M623 L695 D705	A540-I619 HydrophobicContact CB-CB 4.19Å; A540-I619 HydrophobicContact CB-CG1 4.14Å; A540-I619 HydrophobicContact CB-CG2 4.14Å; L543-I619 HydrophobicContact CD2-CG1 4.1Å; R600-I619 HydrophobicContact CB-CD1 4.26Å; R600-I619 HydrophobicContact CG-CD1 3.87Å; W604-I619 HydrophobicContact CZ3-CB 4.33Å; I619-D621 VanDerWaalsContact C-N 3.32Å; I619-D621 PolarHBondContact O-N 3.42Å; I619-V622 HydrophobicContact CD1-CB 4.16Å; I619-V622 HydrophobicContact CD1-CG2 4.38Å; I619-V622 PolarHBondContact O-N 3.29Å; I619-M623 HydrophobicContact CG1-CG 4.47Å; I619-M623 WeakPolarHBondContact O-CG 3.05Å; I619-M623 PolarHBondContact O-N 2.82Å; I619-L695 HydrophobicContact CG2-CD1 3.63Å; I619-L695 HydrophobicContact CG2-CD2 4.37Å; I619-D705 PolarHBondContact N-OD1 3.21Å; I619-D705 PolarHBondContact N-OD2 2.99Å
620	G	95.3	Very high	81.4	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.5	-36.4	-179.4	0	0	0	0	0	113.5	M623 L624 D705 D708 C709	G620-M623 PolarHBondContact O-N 3.37Å; G620-L624 WeakPolarHBondContact O-CB 3.42Å; G620-L624 PolarHBondContact O-N 2.84Å; G620-D705 WeakPolarHBondContact CA-OD1 3.33Å; G620-D705 VanDerWaalsContact N-CG 3.34Å; G620-D705 PolarHBondContact N-OD1 3.39Å; G620-D705 PolarHBondContact N-OD2 3.31Å; G620-D708 VanDerWaalsContact C-CB 3.48Å; G620-C709 VanDerWaalsContact CA-SG 3.54Å
621	D	94.6	Very high	83.5	Confident	34 Å²	34	58.9 Å²	58.9	18%	0.182	30%	0.301	C	S	.	.	H	α-helix	trans	-61.5	-41.4	174.1	60.6	-15.4	0	0	0	112.9	R600 R618 I619 K625	R600-D621 IonicContact CZ-OD1 3.58Å; R600-D621 IonicContact CZ-OD2 2.71Å; R600-D621 IonicContact NH1-OD1 2.72Å; R600-D621 PolarHBondContact NH1-OD1 3.06Å; R600-D621 IonicContact NH1-OD2 3.08Å; R600-D621 PolarHBondContact NH1-OD2 2.82Å; R600-D621 IonicContact NH2-OD1 3.8Å; R600-D621 PolarHBondContact NH2-OD1 2.98Å; R600-D621 IonicContact NH2-OD2 2.59Å; R600-D621 PolarHBondContact NH2-OD2 2.76Å; R618-D621 IonicContact CZ-OD2 3.15Å; R618-D621 IonicContact NE-OD2 2.67Å; R618-D621 PolarHBondContact NE-OD2 2.85Å; R618-D621 IonicContact NH2-OD2 3.36Å; R618-D621 PolarHBondContact NH2-OD2 3.36Å; I619-D621 VanDerWaalsContact C-N 3.32Å; I619-D621 PolarHBondContact O-N 3.42Å; D621-K625 WeakPolarHBondContact O-CB 3.39Å; D621-K625 PolarHBondContact O-N 3.15Å; D621-K625 VanDerWaalsContact O-N 3.15Å
622	V	96.8	Very high	85.6	Confident	12 Å²	12	53.9 Å²	53.9	7%	0.073	29%	0.285	C	S	.	.	H	α-helix	trans	-68.2	-42.6	174.4	-179	0	0	0	0	110.5	F593 E596 V597 I619 N626	F593-V622 HydrophobicContact CD2-CG1 4.49Å; F593-V622 HydrophobicContact CE2-CG1 4.22Å; E596-V622 HydrophobicContact CB-CG1 4.04Å; V597-V622 HydrophobicContact CG2-CG1 4.28Å; I619-V622 HydrophobicContact CD1-CB 4.16Å; I619-V622 HydrophobicContact CD1-CG2 4.38Å; I619-V622 PolarHBondContact O-N 3.29Å; V622-N626 WeakPolarHBondContact O-CB 3.3Å; V622-N626 PolarHBondContact O-N 3.44Å; V622-N626 VanDerWaalsContact O-N 3.15Å; V622-N626 PolarHBondContact O-ND2 3.33Å
623	M	97.8	Very high	87.4	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-61.7	-49.3	176.3	-70.5	-64.3	-66.4	0	0	111.7	L543 F593 I619 G620 N626 L627 Y688 L692 A712	L543-M623 HydrophobicContact CD1-CE 4.29Å; L543-M623 HydrophobicContact CD1-SD 3.95Å; L543-M623 HydrophobicContact CD2-CG 4.42Å; L543-M623 HydrophobicContact CD2-SD 3.45Å; L543-M623 WeakPolarHBondContact CD2-SD 3.49Å; L543-M623 HydrophobicContact CG-SD 4.35Å; F593-M623 HydrophobicContact CE2-SD 4.16Å; F593-M623 HydrophobicContact CZ-SD 3.7Å; I619-M623 HydrophobicContact CG1-CG 4.47Å; I619-M623 WeakPolarHBondContact O-CG 3.05Å; I619-M623 PolarHBondContact O-N 2.82Å; G620-M623 PolarHBondContact O-N 3.37Å; M623-N626 PolarHBondContact O-N 3.08Å; M623-L627 HydrophobicContact CE-CD1 4.1Å; M623-L627 VanDerWaalsContact O-CB 3.3Å; M623-L627 WeakPolarHBondContact O-CB 3.48Å; M623-L627 VanDerWaalsContact O-CG 3.31Å; M623-L627 WeakPolarHBondContact O-CG 3.42Å; M623-L627 PolarHBondContact O-N 3.24Å; M623-Y688 HydrophobicContact CE-CD1 4.06Å; M623-Y688 HydrophobicContact CE-CG 4.2Å; M623-L692 HydrophobicContact CB-CD2 4.02Å; M623-L692 HydrophobicContact CE-CD1 3.75Å; M623-L692 HydrophobicContact CE-CD2 4.26Å; M623-L692 HydrophobicContact CE-CG 3.93Å; M623-L692 HydrophobicContact CG-CD2 4.08Å; M623-A712 HydrophobicContact CB-CB 4.14Å
624	L	97.4	Very high	89.2	Confident	28 Å²	28	41.6 Å²	41.6	15%	0.147	23%	0.23	C	C	.	.	H	α-helix	trans	-58.4	-55	-178.6	179.8	61.6	0	0	0	111.4	G620 N626 L627 Q628 D708 A711 A712	G620-L624 WeakPolarHBondContact O-CB 3.42Å; G620-L624 PolarHBondContact O-N 2.84Å; L624-N626 VanDerWaalsContact C-N 3.32Å; L624-N626 PolarHBondContact O-N 2.95Å; L624-L627 PolarHBondContact O-N 2.95Å; L624-Q628 HydrophobicContact CD1-CG 4.42Å; L624-Q628 VanDerWaalsContact CD1-NE2 3.27Å; L624-Q628 WeakPolarHBondContact O-CB 3.41Å; L624-Q628 VanDerWaalsContact O-CG 3.3Å; L624-Q628 WeakPolarHBondContact O-CG 3.34Å; L624-Q628 PolarHBondContact O-N 3.42Å; L624-D708 HydrophobicContact CD2-CB 4.22Å; L624-A711 HydrophobicContact CD1-CB 3.61Å; L624-A711 HydrophobicContact CD2-CB 4.17Å; L624-A712 HydrophobicContact CB-CB 4.13Å; L624-A712 HydrophobicContact CD1-CB 4.3Å
625	K	97.1	Very high	90.6	Very high	107 Å²	107	43.9 Å²	43.9	47%	0.465	23%	0.234	S	C	.	.	H	α-helix	trans	-53.6	-48	177.5	174	-164.5	157.8	-160.3	0	111.8	E596 D621 A629	E596-K625 IonicContact OE1-NZ 3.32Å; E596-K625 PolarHBondContact OE1-NZ 2.84Å; E596-K625 IonicContact OE2-NZ 3.13Å; E596-K625 PolarHBondContact OE2-NZ 3.29Å; D621-K625 WeakPolarHBondContact O-CB 3.39Å; D621-K625 PolarHBondContact O-N 3.15Å; D621-K625 VanDerWaalsContact O-N 3.15Å; K625-A629 PolarHBondContact O-N 2.96Å; K625-A629 VanDerWaalsContact O-N 3.1Å
626	N	97.7	Very high	92	Very high	12 Å²	12	40 Å²	40	6%	0.064	21%	0.213	C	C	.	.	H	α-helix	trans	-76.7	-34.5	-174.1	-75.4	-82.5	0	0	0	112.1	F589 F593 E596 V622 M623 L624 A629 L630	F589-N626 HydrophobicContact CE2-CB 4.47Å; F589-N626 WeakPolarHBondContact CE2-O 3.36Å; F589-N626 HydrophobicContact CZ-CB 4.09Å; F589-N626 VanDerWaalsContact CZ-O 3.25Å; F589-N626 WeakPolarHBondContact CZ-O 3.14Å; F593-N626 HydrophobicContact CD2-CB 3.53Å; F593-N626 VanDerWaalsContact CD2-CG 3.46Å; F593-N626 HydrophobicContact CE2-CB 3.93Å; F593-N626 HydrophobicContact CG-CB 4.28Å; E596-N626 PolarHBondContact OE2-ND2 3.29Å; V622-N626 WeakPolarHBondContact O-CB 3.3Å; V622-N626 PolarHBondContact O-N 3.44Å; V622-N626 VanDerWaalsContact O-N 3.15Å; V622-N626 PolarHBondContact O-ND2 3.33Å; M623-N626 PolarHBondContact O-N 3.08Å; L624-N626 VanDerWaalsContact C-N 3.32Å; L624-N626 PolarHBondContact O-N 2.95Å; N626-A629 CarbonylContact O-C 3.52Å; N626-A629 PolarHBondContact O-N 2.99Å; N626-L630 WeakPolarHBondContact O-CB 3.48Å; N626-L630 PolarHBondContact O-N 2.62Å
627	L	96.4	Very high	93.1	Very high	10 Å²	10	38.8 Å²	38.8	5%	0.052	21%	0.205	C	C	.	.	H	α-helix	trans	-67.4	-35.9	173.1	-74.5	166	0	0	0	112.4	M623 L624 A629 L630 K631 Y688 L692 A712 V716	M623-L627 HydrophobicContact CE-CD1 4.1Å; M623-L627 VanDerWaalsContact O-CB 3.3Å; M623-L627 WeakPolarHBondContact O-CB 3.48Å; M623-L627 VanDerWaalsContact O-CG 3.31Å; M623-L627 WeakPolarHBondContact O-CG 3.42Å; M623-L627 PolarHBondContact O-N 3.24Å; L624-L627 PolarHBondContact O-N 2.95Å; L627-A629 VanDerWaalsContact C-N 3.34Å; L627-L630 HydrophobicContact CD2-CD2 4.03Å; L627-L630 WeakPolarHBondContact O-CB 3.38Å; L627-L630 PolarHBondContact O-N 3.16Å; L627-L630 VanDerWaalsContact O-N 3.13Å; L627-K631 PolarHBondContact O-N 3.05Å; L627-Y688 HydrophobicContact CD2-CD2 3.96Å; L627-L692 HydrophobicContact CD1-CD1 3.61Å; L627-A712 HydrophobicContact CD1-CB 3.97Å; L627-V716 HydrophobicContact CD1-CB 4Å; L627-V716 HydrophobicContact CD2-CB 3.97Å; L627-V716 HydrophobicContact CD2-CG2 3.89Å
628	Q	95.3	Very high	93.4	Very high	102 Å²	102	38.4 Å²	38.4	48%	0.477	20%	0.203	S	C	.	.	H	α-helix	trans	-64.2	-39.7	170.9	-71.8	175.8	-5	0	0	111.9	L624 L630 K631 D715	L624-Q628 HydrophobicContact CD1-CG 4.42Å; L624-Q628 VanDerWaalsContact CD1-NE2 3.27Å; L624-Q628 WeakPolarHBondContact O-CB 3.41Å; L624-Q628 VanDerWaalsContact O-CG 3.3Å; L624-Q628 WeakPolarHBondContact O-CG 3.34Å; L624-Q628 PolarHBondContact O-N 3.42Å; Q628-L630 VanDerWaalsContact C-N 3.27Å; Q628-L630 PolarHBondContact O-N 3.09Å; Q628-K631 PolarHBondContact O-N 3.47Å; Q628-D715 WeakPolarHBondContact CG-OD2 3.12Å; Q628-D715 PolarHBondContact NE2-OD2 3.33Å
629	A	94.8	Very high	93.4	Very high	52 Å²	52	39.9 Å²	39.9	43%	0.43	21%	0.211	S	C	.	.	H	α-helix	trans	-71.1	-17.7	172.2	0	0	0	0	0	114	F589 K625 N626 L627 P632	F589-A629 HydrophobicContact CE2-CB 4.08Å; K625-A629 PolarHBondContact O-N 2.96Å; K625-A629 VanDerWaalsContact O-N 3.1Å; N626-A629 CarbonylContact O-C 3.52Å; N626-A629 PolarHBondContact O-N 2.99Å; L627-A629 VanDerWaalsContact C-N 3.34Å; A629-P632 WeakPolarHBondContact O-CD 3.05Å
630	L	93.7	Very high	93.3	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-81.5	-29.9	175.4	-173.9	62.1	0	0	0	112.6	L586 F589 N626 L627 Q628 P632 L633 T634 M637 L685 Y688	L586-L630 HydrophobicContact CD2-CD1 4.38Å; F589-L630 HydrophobicContact CD1-CD1 3.95Å; F589-L630 HydrophobicContact CE1-CB 4.29Å; F589-L630 HydrophobicContact CE1-CD1 3.75Å; F589-L630 HydrophobicContact CE1-CD2 4.5Å; F589-L630 HydrophobicContact CE1-CG 4.41Å; F589-L630 HydrophobicContact CE2-CB 4.36Å; F589-L630 HydrophobicContact CZ-CB 3.89Å; F589-L630 HydrophobicContact CZ-CD1 4.19Å; F589-L630 HydrophobicContact CZ-CG 4.5Å; N626-L630 WeakPolarHBondContact O-CB 3.48Å; N626-L630 PolarHBondContact O-N 2.62Å; L627-L630 HydrophobicContact CD2-CD2 4.03Å; L627-L630 WeakPolarHBondContact O-CB 3.38Å; L627-L630 PolarHBondContact O-N 3.16Å; L627-L630 VanDerWaalsContact O-N 3.13Å; Q628-L630 VanDerWaalsContact C-N 3.27Å; Q628-L630 PolarHBondContact O-N 3.09Å; L630-P632 VanDerWaalsContact C-CD 3.44Å; L630-P632 VanDerWaalsContact C-N 3.33Å; L630-P632 VanDerWaalsContact O-N 3.14Å; L630-L633 HydrophobicContact CD1-CB 4.18Å; L630-L633 HydrophobicContact CD1-CD1 4.2Å; L630-L633 WeakPolarHBondContact O-CA 3.49Å; L630-L633 WeakPolarHBondContact O-CB 3.42Å; L630-L633 PolarHBondContact O-N 2.94Å; L630-T634 PolarHBondContact O-N 3.23Å; L630-M637 HydrophobicContact CD1-CE 4.17Å; L630-L685 HydrophobicContact CD2-CD2 3.65Å; L630-Y688 HydrophobicContact CD2-CE2 4.42Å
631	K	91.6	Very high	93.1	Very high	62 Å²	62	41.1 Å²	41.1	27%	0.27	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-50.5	-38.6	-177.1	-66.2	-159.7	-176.7	-174.2	0	115.1	L627 Q628 L633 T634 D715 E718 V719	L627-K631 PolarHBondContact O-N 3.05Å; Q628-K631 PolarHBondContact O-N 3.47Å; K631-L633 VanDerWaalsContact C-N 3.33Å; K631-L633 PolarHBondContact O-N 3.15Å; K631-T634 VanDerWaalsContact O-CB 3.22Å; K631-T634 WeakPolarHBondContact O-CB 3.38Å; K631-T634 PolarHBondContact O-N 2.92Å; K631-T634 PolarHBondContact O-OG1 2.98Å; K631-D715 VanDerWaalsContact CE-OD1 3.25Å; K631-D715 WeakPolarHBondContact CE-OD1 3.36Å; K631-D715 IonicContact NZ-OD1 3.46Å; K631-D715 PolarHBondContact NZ-OD1 3.34Å; K631-E718 IonicContact NZ-OE2 3.69Å; K631-E718 PolarHBondContact NZ-OE2 3.42Å; K631-V719 HydrophobicContact CG-CG2 4.1Å
632	P	91.8	Very high	93	Very high	86 Å²	86	43 Å²	43	56%	0.558	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-63.3	-34.3	173.6	-24.5	35.8	0	0	0	114.2	A629 L630 T634 T635	A629-P632 WeakPolarHBondContact O-CD 3.05Å; L630-P632 VanDerWaalsContact C-CD 3.44Å; L630-P632 VanDerWaalsContact C-N 3.33Å; L630-P632 VanDerWaalsContact O-N 3.14Å; P632-T634 PolarHBondContact O-N 3.1Å; P632-T635 PolarHBondContact O-N 2.42Å; P632-T635 PolarHBondContact O-OG1 2.66Å
633	L	92.2	Very high	92.8	Very high	30 Å²	30	42.6 Å²	42.6	16%	0.157	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-76.6	-7.2	-179.2	-56.4	178	0	0	0	113	P585 L586 F589 L630 K631 T635 N636 M637	P585-L633 HydrophobicContact CB-CD2 3.97Å; L586-L633 HydrophobicContact CD2-CB 4.01Å; L586-L633 HydrophobicContact CD2-CD1 4.23Å; F589-L633 HydrophobicContact CB-CD1 3.75Å; F589-L633 HydrophobicContact CD2-CD1 4.25Å; F589-L633 HydrophobicContact CG-CD1 3.93Å; L630-L633 HydrophobicContact CD1-CB 4.18Å; L630-L633 HydrophobicContact CD1-CD1 4.2Å; L630-L633 WeakPolarHBondContact O-CA 3.49Å; L630-L633 WeakPolarHBondContact O-CB 3.42Å; L630-L633 PolarHBondContact O-N 2.94Å; K631-L633 VanDerWaalsContact C-N 3.33Å; K631-L633 PolarHBondContact O-N 3.15Å; L633-T635 PolarHBondContact O-N 3.35Å; L633-T635 VanDerWaalsContact O-N 3.12Å; L633-N636 WeakPolarHBondContact O-CA 3.27Å; L633-N636 WeakPolarHBondContact O-CB 3.32Å; L633-N636 PolarHBondContact O-N 2.79Å; L633-M637 PolarHBondContact O-N 3.42Å
634	T	88.9	Confident	92.5	Very high	10 Å²	10	42.6 Å²	42.6	6%	0.061	23%	0.227	C	C	.	.	H	α-helix	trans	-52.6	-29.4	166.1	-48	0	0	0	0	111.8	L630 K631 P632 M637 H638 V719 L723	L630-T634 PolarHBondContact O-N 3.23Å; K631-T634 VanDerWaalsContact O-CB 3.22Å; K631-T634 WeakPolarHBondContact O-CB 3.38Å; K631-T634 PolarHBondContact O-N 2.92Å; K631-T634 PolarHBondContact O-OG1 2.98Å; P632-T634 PolarHBondContact O-N 3.1Å; T634-M637 PolarHBondContact O-N 2.98Å; T634-H638 PolarHBondContact O-N 3.09Å; T634-H638 VanDerWaalsContact O-N 3.12Å; T634-H638 PolarHBondContact O-ND1 3.24Å; T634-V719 HydrophobicContact CG2-CG1 3.96Å; T634-L723 HydrophobicContact CG2-CD1 4.22Å; T634-L723 HydrophobicContact CG2-CG 4.33Å
635	T	87.8	Confident	92.2	Very high	95 Å²	95	45.5 Å²	45.5	58%	0.583	24%	0.242	S	C	*	.	H	α-helix	trans	-69.6	-28.5	174.5	61.3	0	0	0	0	113.6	P632 L633	P632-T635 PolarHBondContact O-N 2.42Å; P632-T635 PolarHBondContact O-OG1 2.66Å; L633-T635 PolarHBondContact O-N 3.35Å; L633-T635 VanDerWaalsContact O-N 3.12Å
636	N	89.4	Confident	92	Very high	21 Å²	21	42.5 Å²	42.5	11%	0.112	23%	0.23	C	C	.	.	H	α-helix	trans	-74.4	-44.2	168.5	-57.5	77.9	0	0	0	109.9	S581 T582 L633 H638 K639 H640	S581-N636 PolarHBondContact O-ND2 2.82Å; T582-N636 HydrophobicContact CG2-CB 4.46Å; T582-N636 WeakPolarHBondContact CG2-O 3.4Å; L633-N636 WeakPolarHBondContact O-CA 3.27Å; L633-N636 WeakPolarHBondContact O-CB 3.32Å; L633-N636 PolarHBondContact O-N 2.79Å; N636-H638 PolarHBondContact O-N 3.26Å; N636-K639 WeakPolarHBondContact O-CB 3.44Å; N636-K639 PolarHBondContact O-N 3.5Å; N636-H640 PolarHBondContact O-CD2 3.28Å
637	M	88.9	Confident	91.8	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-57.2	-35.2	-179.4	-70.8	176.7	158.3	0	0	113.3	L586 L630 L633 T634 K639 H640 P681 L685 L723	L586-M637 HydrophobicContact CD1-CG 4.49Å; L586-M637 HydrophobicContact CD2-CE 3.99Å; L586-M637 HydrophobicContact CD2-CG 4.37Å; L630-M637 HydrophobicContact CD1-CE 4.17Å; L633-M637 PolarHBondContact O-N 3.42Å; T634-M637 PolarHBondContact O-N 2.98Å; M637-K639 PolarHBondContact O-N 3.17Å; M637-H640 PolarHBondContact O-CD2 2.78Å; M637-H640 PolarHBondContact O-N 2.83Å; M637-P681 HydrophobicContact CE-CB 4.22Å; M637-L685 HydrophobicContact CE-CD1 4.27Å; M637-L685 HydrophobicContact CE-CD2 4.07Å; M637-L685 HydrophobicContact CE-CG 4.11Å; M637-L685 HydrophobicContact SD-CD1 3.74Å; M637-L685 HydrophobicContact SD-CD2 4.26Å; M637-L685 HydrophobicContact SD-CG 4.22Å; M637-L723 HydrophobicContact CB-CD1 3.89Å; M637-L723 HydrophobicContact CB-CD2 4.23Å; M637-L723 HydrophobicContact SD-CD1 4.04Å
638	H	89.4	Confident	91.5	Very high	84 Å²	84	43.2 Å²	43.2	39%	0.389	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-29.4	172.8	-80.9	83.1	0	0	0	113.9	T634 N636 H640 S641 L723	T634-H638 PolarHBondContact O-N 3.09Å; T634-H638 VanDerWaalsContact O-N 3.12Å; T634-H638 PolarHBondContact O-ND1 3.24Å; N636-H638 PolarHBondContact O-N 3.26Å; H638-H640 VanDerWaalsContact C-N 3.31Å; H638-H640 PolarHBondContact O-N 2.95Å; H638-S641 PolarHBondContact O-OG 3.12Å; H638-S641 VanDerWaalsContact O-OG 3.11Å; H638-L723 VanDerWaalsContact CE1-CD2 3.5Å; H638-L723 WeakPolarHBondContact CE1-CD2 3.46Å
639	K	90.4	Very high	91.4	Very high	87 Å²	87	44 Å²	44	38%	0.378	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-4.3	-176.6	-60.2	179.3	-179.1	-179.6	0	114.4	T582 N636 M637 S641 D642 I643	T582-K639 HydrophobicContact CG2-CB 4.32Å; N636-K639 WeakPolarHBondContact O-CB 3.44Å; N636-K639 PolarHBondContact O-N 3.5Å; M637-K639 PolarHBondContact O-N 3.17Å; K639-S641 PolarHBondContact O-N 2.86Å; K639-D642 WeakPolarHBondContact O-CB 3.27Å; K639-D642 PolarHBondContact O-N 3.41Å; K639-I643 PolarHBondContact O-N 2.9Å
640	H	92.1	Very high	91.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.2	-25.5	179.5	-74.2	-111.8	0	0	0	112.6	T582 F583 N636 M637 H638 D642 I643 L644 V678 L682 M730	T582-H640 WeakPolarHBondContact CG2-CD2 3.39Å; T582-H640 WeakPolarHBondContact CG2-NE2 3.29Å; F583-H640 AromaticContact CD2-CE1 3.97Å; F583-H640 AromaticContact CE2-CE1 3.34Å; F583-H640 WeakPolarHBondContact CE2-CE1 3.46Å; F583-H640 AromaticContact CE2-ND1 3.64Å; F583-H640 AromaticContact CZ-CE1 3.43Å; F583-H640 VanDerWaalsContact CZ-CE1 3.43Å; F583-H640 WeakPolarHBondContact CZ-CE1 3.24Å; F583-H640 AromaticContact CZ-ND1 3.73Å; N636-H640 PolarHBondContact O-CD2 3.28Å; M637-H640 PolarHBondContact O-CD2 2.78Å; M637-H640 PolarHBondContact O-N 2.83Å; H638-H640 VanDerWaalsContact C-N 3.31Å; H638-H640 PolarHBondContact O-N 2.95Å; H640-D642 VanDerWaalsContact C-N 3.27Å; H640-D642 PolarHBondContact O-N 3.19Å; H640-I643 PolarHBondContact O-N 3.3Å; H640-L644 PolarHBondContact O-N 3.08Å; H640-V678 HydrophobicContact CB-CG1 4.44Å; H640-V678 PolarHBondContact ND1-O 3.22Å; H640-L682 HydrophobicContact CB-CD1 3.91Å; H640-M730 HydrophobicContact CB-CE 3.5Å; H640-M730 VanDerWaalsContact CB-CE 3.5Å; H640-M730 HydrophobicContact CB-SD 4.16Å
641	S	91.3	Very high	91.2	Very high	26 Å²	26	42.9 Å²	42.9	18%	0.182	22%	0.224	C	C	.	.	H	α-helix	trans	-58.7	-42	168.8	47.8	0	0	0	0	111.8	H638 K639 I643 L644 L645	H638-S641 PolarHBondContact O-OG 3.12Å; H638-S641 VanDerWaalsContact O-OG 3.11Å; K639-S641 PolarHBondContact O-N 2.86Å; S641-I643 VanDerWaalsContact C-N 3.31Å; S641-I643 PolarHBondContact O-N 3.4Å; S641-L644 PolarHBondContact O-N 2.9Å; S641-L645 WeakPolarHBondContact O-CG 3.2Å; S641-L645 PolarHBondContact O-N 3.37Å; S641-L645 VanDerWaalsContact O-N 3.1Å
642	D	91.4	Very high	91.1	Very high	73 Å²	73	45.6 Å²	45.6	39%	0.39	24%	0.236	S	C	.	.	H	α-helix	trans	-72.4	-32.2	-172.3	-46.6	-15.1	0	0	0	110.1	K639 H640 L645 E646	K639-D642 WeakPolarHBondContact O-CB 3.27Å; K639-D642 PolarHBondContact O-N 3.41Å; H640-D642 VanDerWaalsContact C-N 3.27Å; H640-D642 PolarHBondContact O-N 3.19Å; D642-L645 PolarHBondContact O-N 3.39Å; D642-E646 WeakPolarHBondContact O-CB 3.31Å; D642-E646 PolarHBondContact O-N 2.92Å
643	I	92.8	Very high	91.1	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-62.7	-46.3	171.9	-64.6	174	0	0	0	111.1	T578 I579 T582 F583 K639 H640 S641 L645 L647 V678	T578-I643 HydrophobicContact CG2-CG1 3.8Å; I579-I643 HydrophobicContact CG1-CD1 4.47Å; I579-I643 HydrophobicContact CG1-CG1 4.45Å; I579-I643 HydrophobicContact CG1-CG2 3.94Å; T582-I643 HydrophobicContact CG2-CD1 3.8Å; F583-I643 HydrophobicContact CD2-CD1 3.94Å; F583-I643 HydrophobicContact CE2-CD1 3.79Å; K639-I643 PolarHBondContact O-N 2.9Å; H640-I643 PolarHBondContact O-N 3.3Å; S641-I643 VanDerWaalsContact C-N 3.31Å; S641-I643 PolarHBondContact O-N 3.4Å; I643-L645 VanDerWaalsContact C-N 3.34Å; I643-L645 PolarHBondContact O-N 3.09Å; I643-L647 WeakPolarHBondContact O-CB 3.44Å; I643-L647 PolarHBondContact O-N 2.93Å; I643-V678 HydrophobicContact CB-CG1 4.05Å; I643-V678 HydrophobicContact CG2-CG1 3.81Å; I643-V678 HydrophobicContact CG2-CG2 4.3Å
644	L	92.3	Very high	91.1	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-61.9	-43.9	177.3	-70.7	174.4	0	0	0	111.4	H640 S641 L647 E648 N675 V678 L679 M730 L733	H640-L644 PolarHBondContact O-N 3.08Å; S641-L644 PolarHBondContact O-N 2.9Å; L644-L647 PolarHBondContact O-N 3.49Å; L644-E648 WeakPolarHBondContact O-CB 3.38Å; L644-E648 PolarHBondContact O-N 2.81Å; L644-N675 HydrophobicContact CD2-CB 3.93Å; L644-V678 HydrophobicContact CD2-CB 3.87Å; L644-V678 HydrophobicContact CD2-CG1 3.98Å; L644-V678 HydrophobicContact CD2-CG2 4.09Å; L644-V678 HydrophobicContact CG-CB 4.34Å; L644-V678 HydrophobicContact CG-CG1 3.92Å; L644-L679 HydrophobicContact CD1-CD1 3.91Å; L644-L679 HydrophobicContact CD2-CD1 4.5Å; L644-M730 HydrophobicContact CD1-CB 4.1Å; L644-M730 HydrophobicContact CD1-CE 3.74Å; L644-M730 HydrophobicContact CD1-CG 4.14Å; L644-M730 HydrophobicContact CG-CE 4.45Å; L644-L733 HydrophobicContact CB-CD2 4.23Å
645	L	91.6	Very high	91.2	Very high	88 Å²	88	52.4 Å²	52.4	46%	0.461	27%	0.269	S	S	.	.	H	α-helix	trans	-70	-44.9	-177.8	-68	168.5	0	0	0	112.6	S641 D642 I643 L647 K649 L733	S641-L645 WeakPolarHBondContact O-CG 3.2Å; S641-L645 PolarHBondContact O-N 3.37Å; S641-L645 VanDerWaalsContact O-N 3.1Å; D642-L645 PolarHBondContact O-N 3.39Å; I643-L645 VanDerWaalsContact C-N 3.34Å; I643-L645 PolarHBondContact O-N 3.09Å; L645-L647 VanDerWaalsContact C-N 3.34Å; L645-K649 WeakPolarHBondContact O-CB 3.45Å; L645-K649 PolarHBondContact O-N 2.86Å; L645-L733 HydrophobicContact CD2-CD2 3.8Å; L645-L733 HydrophobicContact CG-CD2 4.24Å
646	E	92.4	Very high	91.4	Very high	44 Å²	44	52.9 Å²	52.9	21%	0.206	26%	0.261	C	S	.	.	H	α-helix	trans	-67.6	-33.4	174.9	-74.5	-67	111.8	0	0	111.8	S574 L575 D642 K649 A650	S574-E646 PolarHBondContact OG-OE2 3.38Å; L575-E646 HydrophobicContact CB-CB 4.49Å; L575-E646 HydrophobicContact CD1-CB 3.94Å; D642-E646 WeakPolarHBondContact O-CB 3.31Å; D642-E646 PolarHBondContact O-N 2.92Å; E646-K649 VanDerWaalsContact OE1-CD 3.22Å; E646-K649 WeakPolarHBondContact OE1-CD 3.33Å; E646-K649 WeakPolarHBondContact OE1-CE 3.45Å; E646-K649 IonicContact OE1-NZ 2.75Å; E646-K649 PolarHBondContact OE1-NZ 2.64Å; E646-K649 IonicContact OE2-NZ 3.52Å; E646-K649 PolarHBondContact OE2-NZ 2.87Å; E646-K649 VanDerWaalsContact OE2-NZ 3.08Å; E646-A650 WeakPolarHBondContact O-CB 3.3Å; E646-A650 PolarHBondContact O-N 2.9Å
647	L	92.7	Very high	91.5	Very high	7 Å²	7	52 Å²	52	4%	0.037	26%	0.256	C	S	.	.	H	α-helix	trans	-67.1	-48.9	175.1	-177.5	64.8	0	0	0	111.4	F561 L575 I643 L644 L645 K649 A650 C651 L674	F561-L647 HydrophobicContact CZ-CD1 4.11Å; L575-L647 HydrophobicContact CD1-CB 4.22Å; L575-L647 HydrophobicContact CD2-CB 4.47Å; L575-L647 HydrophobicContact CD2-CD1 3.95Å; I643-L647 WeakPolarHBondContact O-CB 3.44Å; I643-L647 PolarHBondContact O-N 2.93Å; L644-L647 PolarHBondContact O-N 3.49Å; L645-L647 VanDerWaalsContact C-N 3.34Å; L647-K649 VanDerWaalsContact C-N 3.34Å; L647-K649 PolarHBondContact O-N 3.14Å; L647-A650 PolarHBondContact O-N 2.79Å; L647-C651 PolarHBondContact O-N 2.85Å; L647-C651 PolarHBondContact O-SG 3.14Å; L647-C651 VanDerWaalsContact O-SG 3.37Å; L647-L674 HydrophobicContact CD2-CD2 4.08Å
648	E	91.5	Very high	91.6	Very high	30 Å²	30	55.3 Å²	55.3	14%	0.14	27%	0.271	C	S	.	.	H	α-helix	trans	-56	-49.3	174.1	178.2	-171	165.3	0	0	111.2	L644 A650 C651 K652 L737	L644-E648 WeakPolarHBondContact O-CB 3.38Å; L644-E648 PolarHBondContact O-N 2.81Å; E648-A650 PolarHBondContact O-N 3.17Å; E648-C651 PolarHBondContact O-N 3.43Å; E648-K652 HydrophobicContact CG-CD 4.1Å; E648-K652 WeakPolarHBondContact O-CB 3.43Å; E648-K652 WeakPolarHBondContact O-CG 3.43Å; E648-K652 PolarHBondContact O-N 3.04Å; E648-K652 WeakPolarHBondContact OE1-CE 3.44Å; E648-K652 IonicContact OE1-NZ 3.98Å; E648-K652 PolarHBondContact OE1-NZ 2.91Å; E648-L737 HydrophobicContact CB-CD2 4.22Å; E648-L737 HydrophobicContact CG-CD2 3.67Å
649	K	92	Very high	91.7	Very high	118 Å²	118	53.9 Å²	53.9	51%	0.513	27%	0.267	S	S	.	.	H	α-helix	trans	-59.9	-42.4	177.4	175.6	-168.7	172.1	-157.8	0	112	L645 E646 L647 K652 A653	L645-K649 WeakPolarHBondContact O-CB 3.45Å; L645-K649 PolarHBondContact O-N 2.86Å; E646-K649 VanDerWaalsContact OE1-CD 3.22Å; E646-K649 WeakPolarHBondContact OE1-CD 3.33Å; E646-K649 WeakPolarHBondContact OE1-CE 3.45Å; E646-K649 IonicContact OE1-NZ 2.75Å; E646-K649 PolarHBondContact OE1-NZ 2.64Å; E646-K649 IonicContact OE2-NZ 3.52Å; E646-K649 PolarHBondContact OE2-NZ 2.87Å; E646-K649 VanDerWaalsContact OE2-NZ 3.08Å; L647-K649 VanDerWaalsContact C-N 3.34Å; L647-K649 PolarHBondContact O-N 3.14Å; K649-K652 PolarHBondContact O-N 3.17Å; K649-A653 VanDerWaalsContact O-CB 3.24Å; K649-A653 WeakPolarHBondContact O-CB 3.49Å; K649-A653 PolarHBondContact O-N 2.75Å
650	A	92.8	Very high	91.8	Very high	5 Å²	5	50.8 Å²	50.8	4%	0.041	25%	0.254	C	S	.	.	H	α-helix	trans	-67.6	-42	177.6	0	0	0	0	0	112.2	P572 L575 E646 L647 E648 A653 S654 V657	P572-A650 HydrophobicContact CG-CB 4.16Å; L575-A650 HydrophobicContact CD2-CB 3.89Å; E646-A650 WeakPolarHBondContact O-CB 3.3Å; E646-A650 PolarHBondContact O-N 2.9Å; L647-A650 PolarHBondContact O-N 2.79Å; E648-A650 PolarHBondContact O-N 3.17Å; A650-A653 PolarHBondContact O-N 2.88Å; A650-S654 PolarHBondContact O-N 3.33Å; A650-V657 HydrophobicContact CB-CG1 4.05Å
651	C	91.8	Very high	91.9	Very high	29 Å²	29	51.3 Å²	51.3	20%	0.196	26%	0.257	C	S	.	.	H	α-helix	trans	-63.8	-40.4	173.1	-67	0	0	0	0	112.2	L647 E648 A653 S654 E658	L647-C651 PolarHBondContact O-N 2.85Å; L647-C651 PolarHBondContact O-SG 3.14Å; L647-C651 VanDerWaalsContact O-SG 3.37Å; E648-C651 PolarHBondContact O-N 3.43Å; C651-A653 VanDerWaalsContact C-N 3.33Å; C651-S654 CarbonylContact O-C 3.58Å; C651-E658 HydrophobicContact CB-CB 4.18Å; C651-E658 HydrophobicContact CB-CG 4.45Å
652	K	89.8	Confident	91.8	Very high	119 Å²	119	52.2 Å²	52.2	52%	0.517	26%	0.257	S	S	.	.	H	α-helix	trans	-67.5	-30.3	174.8	-75.2	178.1	175.3	177.3	0	113	E648 K649	E648-K652 HydrophobicContact CG-CD 4.1Å; E648-K652 WeakPolarHBondContact O-CB 3.43Å; E648-K652 WeakPolarHBondContact O-CG 3.43Å; E648-K652 PolarHBondContact O-N 3.04Å; E648-K652 WeakPolarHBondContact OE1-CE 3.44Å; E648-K652 IonicContact OE1-NZ 3.98Å; E648-K652 PolarHBondContact OE1-NZ 2.91Å; K649-K652 PolarHBondContact O-N 3.17Å
653	A	92.3	Very high	91.9	Very high	88 Å²	88	52.2 Å²	52.2	73%	0.727	26%	0.257	S	S	*	.	H	α-helix	trans	-83.9	-30.9	178.5	0	0	0	0	0	113.9	K649 A650 C651	K649-A653 VanDerWaalsContact O-CB 3.24Å; K649-A653 WeakPolarHBondContact O-CB 3.49Å; K649-A653 PolarHBondContact O-N 2.75Å; A650-A653 PolarHBondContact O-N 2.88Å; C651-A653 VanDerWaalsContact C-N 3.33Å
654	S	92.2	Very high	92	Very high	23 Å²	23	52 Å²	52	16%	0.161	26%	0.256	C	S	.	.			trans	-135.3	117.1	178.5	177.8	0	0	0	0	112.8	E570 A650 C651 R656 V657 E658	E570-S654 PolarHBondContact OE2-OG 3.13Å; A650-S654 PolarHBondContact O-N 3.33Å; C651-S654 CarbonylContact O-C 3.58Å; S654-R656 PolarHBondContact O-N 3.01Å; S654-R656 VanDerWaalsContact O-N 3.13Å; S654-R656 WeakPolarHBondContact OG-CB 3.35Å; S654-R656 PolarHBondContact OG-N 3.38Å; S654-R656 VanDerWaalsContact OG-N 3.15Å; S654-V657 PolarHBondContact O-N 3.44Å; S654-V657 PolarHBondContact OG-N 3.26Å; S654-E658 PolarHBondContact O-N 3.34Å
655	R	91.3	Very high	92	Very high	157 Å²	157	54.1 Å²	54.1	59%	0.592	27%	0.266	S	S	*	.	H	α-helix	trans	-57.9	-22.5	169.7	-159.2	178.2	-172.2	-164.8	0.6	111.8	N659 E896	R655-N659 VanDerWaalsContact O-CB 3.3Å; R655-N659 WeakPolarHBondContact O-CB 3.48Å; R655-N659 PolarHBondContact O-N 3.39Å; R655-N659 PolarHBondContact O-ND2 3.47Å; R655-E896 IonicContact CZ-OE1 3.59Å; R655-E896 VanDerWaalsContact CZ-OE1 3.29Å; R655-E896 IonicContact NH1-OE1 3.75Å; R655-E896 PolarHBondContact NH1-OE1 2.93Å; R655-E896 IonicContact NH2-OE1 2.67Å; R655-E896 PolarHBondContact NH2-OE1 3.24Å; R655-E896 IonicContact NH2-OE2 2.81Å
656	R	90.4	Very high	92	Very high	106 Å²	106	53.6 Å²	53.6	40%	0.4	26%	0.263	S	S	.	.	H	α-helix	trans	-71	-44.8	172.6	-177.5	-176.9	167.3	163.4	-6.5	111.4	D568 E570 S654 N659 L660	D568-R656 IonicContact OD1-CZ 3.67Å; D568-R656 IonicContact OD1-NE 2.64Å; D568-R656 PolarHBondContact OD1-NE 2.99Å; D568-R656 IonicContact OD1-NH2 2.77Å; D568-R656 PolarHBondContact OD1-NH2 2.85Å; D568-R656 IonicContact OD2-NE 2.71Å; E570-R656 WeakPolarHBondContact OE1-CD 3.32Å; E570-R656 IonicContact OE1-CZ 3.75Å; E570-R656 IonicContact OE1-NE 2.67Å; E570-R656 IonicContact OE1-NH1 2.69Å; E570-R656 PolarHBondContact OE1-NH1 3.43Å; E570-R656 VanDerWaalsContact OE2-CD 3.31Å; E570-R656 WeakPolarHBondContact OE2-CD 3.12Å; S654-R656 PolarHBondContact O-N 3.01Å; S654-R656 VanDerWaalsContact O-N 3.13Å; S654-R656 WeakPolarHBondContact OG-CB 3.35Å; S654-R656 PolarHBondContact OG-N 3.38Å; S654-R656 VanDerWaalsContact OG-N 3.15Å; R656-N659 PolarHBondContact O-N 2.96Å; R656-L660 VanDerWaalsContact O-CB 3.32Å; R656-L660 WeakPolarHBondContact O-CB 3.48Å; R656-L660 PolarHBondContact O-N 3.38Å
657	V	91.4	Very high	92	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-67.6	-37.9	176.1	-177.2	0	0	0	0	110.8	A650 S654 L660 C661	A650-V657 HydrophobicContact CB-CG1 4.05Å; S654-V657 PolarHBondContact O-N 3.44Å; S654-V657 PolarHBondContact OG-N 3.26Å; V657-L660 PolarHBondContact O-N 3.06Å; V657-C661 PolarHBondContact O-N 3.02Å; V657-C661 PolarHBondContact O-SG 3.48Å
658	E	91.3	Very high	92	Very high	71 Å²	71	62.2 Å²	62.2	33%	0.332	30%	0.301	S	S	.	.	H	α-helix	trans	-58.6	-49.8	170.6	-166.7	-138.9	151.7	0	0	112	C651 S654 L660 C661 R662	C651-E658 HydrophobicContact CB-CB 4.18Å; C651-E658 HydrophobicContact CB-CG 4.45Å; S654-E658 PolarHBondContact O-N 3.34Å; E658-L660 PolarHBondContact O-N 3.11Å; E658-C661 PolarHBondContact O-N 3.31Å; E658-R662 PolarHBondContact O-N 3.49Å
659	N	91.7	Very high	92.2	Very high	55 Å²	55	61.8 Å²	61.8	29%	0.294	30%	0.3	S	S	.	.	H	α-helix	trans	-58.2	-46.7	175.1	-77.1	-44.1	0	0	0	111.4	R655 R656 C661 R662 D663	R655-N659 VanDerWaalsContact O-CB 3.3Å; R655-N659 WeakPolarHBondContact O-CB 3.48Å; R655-N659 PolarHBondContact O-N 3.39Å; R655-N659 PolarHBondContact O-ND2 3.47Å; R656-N659 PolarHBondContact O-N 2.96Å; N659-C661 PolarHBondContact O-N 2.91Å; N659-R662 PolarHBondContact O-N 2.99Å; N659-R662 PolarHBondContact OD1-NH1 2.76Å; N659-R662 PolarHBondContact OD1-NH2 2.79Å; N659-D663 VanDerWaalsContact O-CB 3.26Å; N659-D663 WeakPolarHBondContact O-CB 3.35Å; N659-D663 PolarHBondContact O-N 2.97Å
660	L	93.4	Very high	92.3	Very high	22 Å²	22	56.6 Å²	56.6	12%	0.115	28%	0.278	C	S	.	.	H	α-helix	trans	-58.2	-45.8	179.4	-178.3	159.9	0	0	0	111.5	F561 V564 V565 D568 R656 V657 E658 D663 F664	F561-L660 HydrophobicContact CE2-CD2 4.2Å; V564-L660 HydrophobicContact CG1-CD1 4.05Å; V564-L660 HydrophobicContact CG1-CD2 3.73Å; V564-L660 HydrophobicContact CG1-CG 3.67Å; V565-L660 HydrophobicContact CG2-CD2 3.97Å; D568-L660 HydrophobicContact CB-CD1 3.6Å; R656-L660 VanDerWaalsContact O-CB 3.32Å; R656-L660 WeakPolarHBondContact O-CB 3.48Å; R656-L660 PolarHBondContact O-N 3.38Å; V657-L660 PolarHBondContact O-N 3.06Å; E658-L660 PolarHBondContact O-N 3.11Å; L660-D663 PolarHBondContact O-N 2.71Å; L660-F664 WeakPolarHBondContact O-CB 3.4Å; L660-F664 PolarHBondContact O-N 3.19Å
661	C	92.9	Very high	92.3	Very high	10 Å²	10	57.7 Å²	57.7	7%	0.068	28%	0.282	C	S	.	.	H	α-helix	trans	-67.2	-44.9	178.9	-63.8	0	0	0	0	111.7	V657 E658 N659 D663 F664 E665 L674	V657-C661 PolarHBondContact O-N 3.02Å; V657-C661 PolarHBondContact O-SG 3.48Å; E658-C661 PolarHBondContact O-N 3.31Å; N659-C661 PolarHBondContact O-N 2.91Å; C661-D663 VanDerWaalsContact C-N 3.35Å; C661-D663 PolarHBondContact O-N 3.35Å; C661-F664 PolarHBondContact O-N 3.32Å; C661-E665 WeakPolarHBondContact O-CG 3.45Å; C661-E665 PolarHBondContact O-N 3.02Å; C661-L674 HydrophobicContact CB-CD2 4.37Å
662	R	91.1	Very high	92.4	Very high	45 Å²	45	56.8 Å²	56.8	17%	0.17	28%	0.275	C	S	.	.	H	α-helix	trans	-59.9	-44.9	174.6	-179.2	-162.8	63	-125.7	-9.9	111.7	E658 N659 F664 E665 L666	E658-R662 PolarHBondContact O-N 3.49Å; N659-R662 PolarHBondContact O-N 2.99Å; N659-R662 PolarHBondContact OD1-NH1 2.76Å; N659-R662 PolarHBondContact OD1-NH2 2.79Å; R662-F664 PolarHBondContact O-N 2.84Å; R662-E665 PolarHBondContact O-N 2.83Å; R662-E665 VanDerWaalsContact O-N 3.13Å; R662-L666 WeakPolarHBondContact O-CG 3.46Å; R662-L666 PolarHBondContact O-N 2.88Å; R662-L666 VanDerWaalsContact O-N 3.16Å
663	D	92.7	Very high	92.6	Very high	73 Å²	73	52.2 Å²	52.2	39%	0.39	26%	0.258	S	S	.	.	H	α-helix	trans	-75.2	-18.7	-175.8	-62.1	-9.4	0	0	0	111.4	N659 L660 C661	N659-D663 VanDerWaalsContact O-CB 3.26Å; N659-D663 WeakPolarHBondContact O-CB 3.35Å; N659-D663 PolarHBondContact O-N 2.97Å; L660-D663 PolarHBondContact O-N 2.71Å; C661-D663 VanDerWaalsContact C-N 3.35Å; C661-D663 PolarHBondContact O-N 3.35Å
664	F	94.3	Very high	92.7	Very high	1 Å²	1	48.2 Å²	48.2	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-74.4	-42.2	163	-176.5	-99.9	0	0	0	112.8	V556 F561 V564 L660 C661 R662 L666 Q667 V669 C670 L674	V556-F664 HydrophobicContact CG1-CE1 4.08Å; V556-F664 HydrophobicContact CG1-CZ 3.87Å; F561-F664 HydrophobicContact CB-CD1 4.46Å; F561-F664 HydrophobicContact CB-CE1 3.88Å; F561-F664 HydrophobicContact CB-CE2 4.14Å; F561-F664 HydrophobicContact CB-CZ 3.69Å; F561-F664 HydrophobicContact CD2-CB 4.44Å; F561-F664 AromaticContact CD2-CD1 3.7Å; F561-F664 HydrophobicContact CD2-CD1 3.7Å; F561-F664 HydrophobicContact CD2-CD2 4.27Å; F561-F664 AromaticContact CD2-CE1 3.97Å; F561-F664 HydrophobicContact CD2-CE1 3.97Å; F561-F664 AromaticContact CD2-CG 3.86Å; F561-F664 HydrophobicContact CD2-CG 3.86Å; F561-F664 HydrophobicContact CD2-CZ 4.37Å; F561-F664 HydrophobicContact CE2-CD1 4.42Å; F561-F664 HydrophobicContact CG-CD1 4.44Å; F561-F664 HydrophobicContact CG-CE1 4.27Å; F561-F664 HydrophobicContact CG-CZ 4.49Å; V564-F664 HydrophobicContact CG2-CD2 4.06Å; L660-F664 WeakPolarHBondContact O-CB 3.4Å; L660-F664 PolarHBondContact O-N 3.19Å; C661-F664 PolarHBondContact O-N 3.32Å; R662-F664 PolarHBondContact O-N 2.84Å; F664-L666 PolarHBondContact O-N 3.47Å; F664-L666 VanDerWaalsContact O-N 3.13Å; F664-Q667 VanDerWaalsContact O-CB 3.31Å; F664-Q667 WeakPolarHBondContact O-CB 3.21Å; F664-Q667 WeakPolarHBondContact O-CG 3.49Å; F664-Q667 PolarHBondContact O-N 3.44Å; F664-V669 HydrophobicContact CE2-CG1 4.29Å; F664-V669 HydrophobicContact CZ-CG1 4.31Å; F664-C670 HydrophobicContact CD1-CB 4.16Å; F664-C670 HydrophobicContact CE1-CB 3.9Å; F664-C670 HydrophobicContact CZ-CB 4.46Å; F664-C670 WeakPolarHBondContact O-CB 3.44Å; F664-L674 HydrophobicContact CD1-CD1 4.12Å; F664-L674 HydrophobicContact CE1-CD1 3.94Å
665	E	93.2	Very high	92.8	Very high	45 Å²	45	47.8 Å²	47.8	21%	0.21	22%	0.22	C	C	.	.	H	α-helix	trans	-63.6	-13.2	174.2	-70.9	-174.4	144.7	0	0	113.9	C661 R662 L674 K741	C661-E665 WeakPolarHBondContact O-CG 3.45Å; C661-E665 PolarHBondContact O-N 3.02Å; R662-E665 PolarHBondContact O-N 2.83Å; R662-E665 VanDerWaalsContact O-N 3.13Å; E665-L674 HydrophobicContact CG-CB 3.83Å; E665-L674 WeakPolarHBondContact OE1-CB 3.43Å; E665-L674 PolarHBondContact OE1-N 3.29Å; E665-K741 IonicContact OE1-NZ 3.58Å; E665-K741 PolarHBondContact OE1-NZ 2.93Å; E665-K741 IonicContact OE2-NZ 3.86Å; E665-K741 PolarHBondContact OE2-NZ 3.13Å
666	L	91.3	Very high	93	Very high	77 Å²	77	41 Å²	41	40%	0.403	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-5.8	170.5	-66.3	175.1	0	0	0	113.9	R662 F664 A900	R662-L666 WeakPolarHBondContact O-CG 3.46Å; R662-L666 PolarHBondContact O-N 2.88Å; R662-L666 VanDerWaalsContact O-N 3.16Å; F664-L666 PolarHBondContact O-N 3.47Å; F664-L666 VanDerWaalsContact O-N 3.13Å; L666-A900 HydrophobicContact CD1-CB 3.83Å
667	Q	92.9	Very high	93.3	Very high	84 Å²	84	36 Å²	36	39%	0.393	18%	0.177	S	C	.	.	S	Bend	trans	-82.5	142.2	178.2	-58.1	-176.2	24.1	0	0	111.4	F664 V669 C670	F664-Q667 VanDerWaalsContact O-CB 3.31Å; F664-Q667 WeakPolarHBondContact O-CB 3.21Å; F664-Q667 WeakPolarHBondContact O-CG 3.49Å; F664-Q667 PolarHBondContact O-N 3.44Å; Q667-V669 HydrophobicContact CB-CG1 4.09Å; Q667-V669 PolarHBondContact O-N 3.36Å; Q667-C670 PolarHBondContact O-N 2.9Å
668	K	92.6	Very high	93.5	Very high	147 Å²	147	36.2 Å²	36.2	64%	0.639	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.8	-176.5	-61.7	-175.4	-179	177.1	0	114.8	Y966	K668-Y966 HydrophobicContact CB-CD2 4.05Å; K668-Y966 HydrophobicContact CB-CG 3.9Å; K668-Y966 HydrophobicContact CD-CD2 3.82Å; K668-Y966 HydrophobicContact CD-CE2 3.94Å; K668-Y966 HydrophobicContact CD-CG 4.39Å; K668-Y966 VanDerWaalsContact O-CB 3.32Å; K668-Y966 WeakPolarHBondContact O-CB 3.38Å
669	V	94.1	Very high	93.8	Very high	21 Å²	21	32.9 Å²	32.9	13%	0.127	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-31.5	175.6	65.8	0	0	0	0	111.9	V556 F664 Q667 Y671	V556-V669 HydrophobicContact CG1-CG2 4.37Å; V556-V669 HydrophobicContact CG2-CG2 3.97Å; F664-V669 HydrophobicContact CE2-CG1 4.29Å; F664-V669 HydrophobicContact CZ-CG1 4.31Å; Q667-V669 HydrophobicContact CB-CG1 4.09Å; Q667-V669 PolarHBondContact O-N 3.36Å; V669-Y671 PolarHBondContact O-N 2.96Å
670	C	94.8	Very high	94	Very high	9 Å²	9	30.6 Å²	30.6	6%	0.061	15%	0.15	C	C	.	.			trans	-84.1	66.1	174.5	-154.2	0	0	0	0	109.7	F664 Q667 I672	F664-C670 HydrophobicContact CD1-CB 4.16Å; F664-C670 HydrophobicContact CE1-CB 3.9Å; F664-C670 HydrophobicContact CZ-CB 4.46Å; F664-C670 WeakPolarHBondContact O-CB 3.44Å; Q667-C670 PolarHBondContact O-N 2.9Å; C670-I672 PolarHBondContact O-N 2.91Å; C670-I672 PolarHBondContact SG-O 2.73Å; C670-I672 VanDerWaalsContact SG-O 3.35Å
671	Y	93.7	Very high	94.1	Very high	29 Å²	29	29.6 Å²	29.6	11%	0.114	14%	0.144	C	C	.	.			trans	-74.6	-5.2	-170.6	72.6	-89.2	0	0	0	114.8	D553 V669 F677 R680 T952 F957 P967	D553-Y671 WeakPolarHBondContact OD1-CE1 3.49Å; D553-Y671 PolarHBondContact OD1-OH 2.84Å; D553-Y671 PolarHBondContact OD2-OH 3.01Å; V669-Y671 PolarHBondContact O-N 2.96Å; Y671-F677 HydrophobicContact CD1-CE1 4.43Å; Y671-F677 AromaticContact CD1-CZ 3.89Å; Y671-F677 HydrophobicContact CD1-CZ 3.89Å; Y671-F677 AromaticContact CE1-CE1 3.84Å; Y671-F677 HydrophobicContact CE1-CE1 3.84Å; Y671-F677 AromaticContact CE1-CZ 3.74Å; Y671-F677 HydrophobicContact CE1-CZ 3.74Å; Y671-R680 PolarHBondContact OH-NH2 3.16Å; Y671-T952 HydrophobicContact CE2-CG2 3.91Å; Y671-F957 AromaticContact CD2-CD1 3.73Å; Y671-F957 HydrophobicContact CD2-CD1 3.73Å; Y671-F957 HydrophobicContact CD2-CD2 4.09Å; Y671-F957 AromaticContact CD2-CE1 3.71Å; Y671-F957 HydrophobicContact CD2-CE1 3.71Å; Y671-F957 HydrophobicContact CD2-CE2 4.08Å; Y671-F957 AromaticContact CD2-CG 3.92Å; Y671-F957 HydrophobicContact CD2-CG 3.92Å; Y671-F957 AromaticContact CD2-CZ 3.89Å; Y671-F957 HydrophobicContact CD2-CZ 3.89Å; Y671-F957 HydrophobicContact CE2-CD2 4.1Å; Y671-F957 HydrophobicContact CE2-CE2 4.18Å; Y671-F957 HydrophobicContact CE2-CG 4.27Å; Y671-F957 HydrophobicContact CE2-CZ 4.42Å; Y671-F957 WeakPolarHBondContact O-CE1 3.43Å; Y671-P967 HydrophobicContact CG-CG 4.45Å
672	I	94	Very high	94.3	Very high	9 Å²	9	29.3 Å²	29.3	5%	0.046	14%	0.142	C	C	.	.	S	Bend	trans	-142.4	165	171.7	54.4	175.8	0	0	0	107.8	C670 V676 F677 T952 N953 F957	C670-I672 PolarHBondContact O-N 2.91Å; C670-I672 PolarHBondContact SG-O 2.73Å; C670-I672 VanDerWaalsContact SG-O 3.35Å; I672-V676 HydrophobicContact CD1-CB 4.02Å; I672-V676 HydrophobicContact CD1-CG1 3.81Å; I672-F677 HydrophobicContact CD1-CE1 4.24Å; I672-F677 HydrophobicContact CD1-CE2 4.26Å; I672-F677 HydrophobicContact CD1-CZ 4.07Å; I672-F677 HydrophobicContact CG1-CD2 4.11Å; I672-F677 HydrophobicContact CG1-CE1 4.15Å; I672-F677 HydrophobicContact CG1-CE2 3.46Å; I672-F677 VanDerWaalsContact CG1-CE2 3.46Å; I672-F677 HydrophobicContact CG1-CZ 3.48Å; I672-F677 VanDerWaalsContact CG1-CZ 3.48Å; I672-F677 WeakPolarHBondContact O-CE2 3.35Å; I672-T952 HydrophobicContact CG2-CG2 4.44Å; I672-N953 HydrophobicContact CG2-CB 4.45Å; I672-F957 HydrophobicContact CG2-CE2 4.24Å; I672-F957 HydrophobicContact CG2-CZ 3.84Å
673	P	93.3	Very high	94.5	Very high	24 Å²	24	27.3 Å²	27.3	16%	0.156	14%	0.135	C	C	.	.			trans	-58.2	143.5	-177.7	-24.4	34.4	0	0	0	113.2	N675 V676 E738	P673-N675 VanDerWaalsContact C-N 3.27Å; P673-N675 PolarHBondContact O-N 3.5Å; P673-V676 HydrophobicContact CB-CG2 4.23Å; P673-V676 HydrophobicContact CG-CG2 4.48Å; P673-V676 WeakPolarHBondContact O-CB 3.21Å; P673-V676 PolarHBondContact O-N 2.89Å; P673-E738 WeakPolarHBondContact CB-OE1 3.45Å; P673-E738 WeakPolarHBondContact CB-OE2 3.19Å; P673-E738 HydrophobicContact CG-CG 4.39Å; P673-E738 WeakPolarHBondContact CG-OE1 3.47Å
674	L	94.5	Very high	94.8	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.016	12%	0.118	C	C	.	.	H	α-helix	trans	-53.4	-44.5	-172	172.4	61.1	0	0	0	111.9	F561 L647 C661 F664 E665 V676 F677	F561-L674 HydrophobicContact CD1-CD1 4.16Å; F561-L674 HydrophobicContact CD2-CD1 4.09Å; F561-L674 HydrophobicContact CD2-CD2 4.08Å; F561-L674 HydrophobicContact CE1-CD1 4.39Å; F561-L674 HydrophobicContact CE1-CD2 4.18Å; F561-L674 HydrophobicContact CE2-CD1 4.34Å; F561-L674 HydrophobicContact CE2-CD2 3.54Å; F561-L674 HydrophobicContact CG-CD1 4Å; F561-L674 HydrophobicContact CZ-CD1 4.49Å; F561-L674 HydrophobicContact CZ-CD2 3.59Å; L647-L674 HydrophobicContact CD2-CD2 4.08Å; C661-L674 HydrophobicContact CB-CD2 4.37Å; F664-L674 HydrophobicContact CD1-CD1 4.12Å; F664-L674 HydrophobicContact CE1-CD1 3.94Å; E665-L674 HydrophobicContact CG-CB 3.83Å; E665-L674 WeakPolarHBondContact OE1-CB 3.43Å; E665-L674 PolarHBondContact OE1-N 3.29Å; L674-V676 PolarHBondContact O-N 2.74Å; L674-V676 VanDerWaalsContact O-N 3.16Å; L674-F677 WeakPolarHBondContact O-CB 3.48Å; L674-F677 PolarHBondContact O-N 3.13Å
675	N	94.6	Very high	94.9	Very high	15 Å²	15	24.3 Å²	24.3	8%	0.08	12%	0.118	C	C	.	.	H	α-helix	trans	-60.4	-27.3	-178.1	-65.2	-3.5	0	0	0	112.7	L644 P673 F677 V678 L679 Q734	L644-N675 HydrophobicContact CD2-CB 3.93Å; P673-N675 VanDerWaalsContact C-N 3.27Å; P673-N675 PolarHBondContact O-N 3.5Å; N675-F677 VanDerWaalsContact C-N 3.35Å; N675-V678 WeakPolarHBondContact O-CB 3.3Å; N675-V678 PolarHBondContact O-N 3.01Å; N675-L679 WeakPolarHBondContact O-CD1 3.37Å; N675-Q734 HydrophobicContact CB-CG 3.6Å
676	V	95.3	Very high	95	Very high	14 Å²	14	23.4 Å²	23.4	9%	0.085	11%	0.114	C	C	.	.	H	α-helix	trans	-69.1	-34.2	177.7	-172.1	0	0	0	0	111.2	I672 P673 L674 V678 L679 R680 Q734	I672-V676 HydrophobicContact CD1-CB 4.02Å; I672-V676 HydrophobicContact CD1-CG1 3.81Å; P673-V676 HydrophobicContact CB-CG2 4.23Å; P673-V676 HydrophobicContact CG-CG2 4.48Å; P673-V676 WeakPolarHBondContact O-CB 3.21Å; P673-V676 PolarHBondContact O-N 2.89Å; L674-V676 PolarHBondContact O-N 2.74Å; L674-V676 VanDerWaalsContact O-N 3.16Å; V676-V678 PolarHBondContact O-N 3.2Å; V676-L679 PolarHBondContact O-N 3.43Å; V676-R680 PolarHBondContact O-N 3.4Å; V676-Q734 HydrophobicContact CG2-CG 4.49Å
677	F	96.6	Very high	95.2	Very high	1 Å²	1	20.1 Å²	20.1	0%	0.004	10%	0.097	C	C	.	.	H	α-helix	trans	-63	-31.7	173.6	-66.9	-80	0	0	0	112	D553 V556 V557 Y671 I672 L674 N675 L679 R680	D553-F677 HydrophobicContact CB-CD1 3.94Å; D553-F677 HydrophobicContact CB-CE1 4.08Å; D553-F677 WeakPolarHBondContact O-CD1 3.49Å; D553-F677 WeakPolarHBondContact OD1-CE1 3.38Å; V556-F677 HydrophobicContact CB-CD1 4Å; V556-F677 HydrophobicContact CB-CE1 3.88Å; V556-F677 HydrophobicContact CB-CG 4.4Å; V556-F677 HydrophobicContact CB-CZ 4.16Å; V556-F677 HydrophobicContact CG1-CD1 4.33Å; V556-F677 HydrophobicContact CG1-CD2 4.15Å; V556-F677 HydrophobicContact CG1-CE1 4.13Å; V556-F677 HydrophobicContact CG1-CE2 3.9Å; V556-F677 HydrophobicContact CG1-CG 4.35Å; V556-F677 HydrophobicContact CG1-CZ 3.89Å; V556-F677 HydrophobicContact CG2-CD1 4.15Å; V556-F677 HydrophobicContact CG2-CE1 3.56Å; V556-F677 HydrophobicContact CG2-CZ 3.86Å; V557-F677 HydrophobicContact CG2-CB 3.75Å; Y671-F677 HydrophobicContact CD1-CE1 4.43Å; Y671-F677 AromaticContact CD1-CZ 3.89Å; Y671-F677 HydrophobicContact CD1-CZ 3.89Å; Y671-F677 AromaticContact CE1-CE1 3.84Å; Y671-F677 HydrophobicContact CE1-CE1 3.84Å; Y671-F677 AromaticContact CE1-CZ 3.74Å; Y671-F677 HydrophobicContact CE1-CZ 3.74Å; I672-F677 HydrophobicContact CD1-CE1 4.24Å; I672-F677 HydrophobicContact CD1-CE2 4.26Å; I672-F677 HydrophobicContact CD1-CZ 4.07Å; I672-F677 HydrophobicContact CG1-CD2 4.11Å; I672-F677 HydrophobicContact CG1-CE1 4.15Å; I672-F677 HydrophobicContact CG1-CE2 3.46Å; I672-F677 VanDerWaalsContact CG1-CE2 3.46Å; I672-F677 HydrophobicContact CG1-CZ 3.48Å; I672-F677 VanDerWaalsContact CG1-CZ 3.48Å; I672-F677 WeakPolarHBondContact O-CE2 3.35Å; L674-F677 WeakPolarHBondContact O-CB 3.48Å; L674-F677 PolarHBondContact O-N 3.13Å; N675-F677 VanDerWaalsContact C-N 3.35Å; F677-L679 VanDerWaalsContact C-N 3.25Å; F677-L679 PolarHBondContact O-N 3.45Å; F677-R680 PolarHBondContact O-N 3.13Å
678	V	95.9	Very high	95.5	Very high	6 Å²	6	16.3 Å²	16.3	4%	0.036	8%	0.079	C	C	.	.	H	α-helix	trans	-63.5	-30.9	177.3	-171.4	0	0	0	0	112	H640 I643 L644 N675 V676	H640-V678 HydrophobicContact CB-CG1 4.44Å; H640-V678 PolarHBondContact ND1-O 3.22Å; I643-V678 HydrophobicContact CB-CG1 4.05Å; I643-V678 HydrophobicContact CG2-CG1 3.81Å; I643-V678 HydrophobicContact CG2-CG2 4.3Å; L644-V678 HydrophobicContact CD2-CB 3.87Å; L644-V678 HydrophobicContact CD2-CG1 3.98Å; L644-V678 HydrophobicContact CD2-CG2 4.09Å; L644-V678 HydrophobicContact CG-CB 4.34Å; L644-V678 HydrophobicContact CG-CG1 3.92Å; N675-V678 WeakPolarHBondContact O-CB 3.3Å; N675-V678 PolarHBondContact O-N 3.01Å; V676-V678 PolarHBondContact O-N 3.2Å
679	L	96.1	Very high	95.7	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-84.1	-21.1	179.3	-79.5	77.3	0	0	0	114.3	L644 N675 V676 F677 P681 L682 H683 L727 M730 E731 Q734	L644-L679 HydrophobicContact CD1-CD1 3.91Å; L644-L679 HydrophobicContact CD2-CD1 4.5Å; N675-L679 WeakPolarHBondContact O-CD1 3.37Å; V676-L679 PolarHBondContact O-N 3.43Å; F677-L679 VanDerWaalsContact C-N 3.25Å; F677-L679 PolarHBondContact O-N 3.45Å; L679-P681 VanDerWaalsContact C-CD 3.45Å; L679-P681 VanDerWaalsContact C-N 3.32Å; L679-P681 VanDerWaalsContact O-N 3.1Å; L679-L682 PolarHBondContact O-N 3.18Å; L679-H683 PolarHBondContact O-N 2.94Å; L679-L727 HydrophobicContact CD2-CD1 4.27Å; L679-M730 HydrophobicContact CD1-CE 4.18Å; L679-M730 HydrophobicContact CD2-CB 4.3Å; L679-M730 HydrophobicContact CG-CB 4.31Å; L679-M730 HydrophobicContact CG-CE 4.03Å; L679-E731 HydrophobicContact CD2-CB 4.23Å; L679-E731 HydrophobicContact CD2-CG 3.48Å; L679-E731 VanDerWaalsContact CD2-CG 3.48Å; L679-Q734 HydrophobicContact CD1-CB 4.03Å; L679-Q734 HydrophobicContact CD1-CG 4.14Å
680	R	96.4	Very high	95.9	Very high	8 Å²	8	11.7 Å²	11.7	3%	0.03	6%	0.058	C	C	.	.	H	α-helix	trans	-53.5	-35.8	-168.6	-69.3	-57.1	-162.5	92.9	34.5	115.1	Y550 D553 Y671 V676 F677 L682 H683 R684	Y550-R680 HydrophobicContact CD2-CB 4.23Å; Y550-R680 HydrophobicContact CE2-CB 4.11Å; D553-R680 HydrophobicContact CB-CG 4.37Å; D553-R680 IonicContact OD1-NH2 2.96Å; D553-R680 PolarHBondContact OD1-NH2 3.49Å; D553-R680 IonicContact OD2-CZ 3.46Å; D553-R680 IonicContact OD2-NE 2.71Å; D553-R680 IonicContact OD2-NH1 3.13Å; D553-R680 PolarHBondContact OD2-NH1 3.39Å; D553-R680 IonicContact OD2-NH2 3.84Å; D553-R680 PolarHBondContact OD2-NH2 3.37Å; Y671-R680 PolarHBondContact OH-NH2 3.16Å; V676-R680 PolarHBondContact O-N 3.4Å; F677-R680 PolarHBondContact O-N 3.13Å; R680-L682 VanDerWaalsContact C-N 3.34Å; R680-L682 PolarHBondContact O-N 3.49Å; R680-H683 PolarHBondContact O-N 3.05Å; R680-R684 WeakPolarHBondContact O-CB 3.37Å; R680-R684 PolarHBondContact O-N 3.18Å
681	P	96.6	Very high	96	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-64.9	-33.7	178	-29.1	41.3	0	0	0	114.3	Y550 L554 F583 L586 M637 L679 R684	Y550-P681 HydrophobicContact CE2-CG 4.29Å; Y550-P681 WeakPolarHBondContact OH-CA 3.47Å; Y550-P681 WeakPolarHBondContact OH-CB 3.46Å; L554-P681 HydrophobicContact CD2-CG 3.89Å; F583-P681 HydrophobicContact CE1-CG 4.18Å; F583-P681 HydrophobicContact CZ-CG 4.43Å; L586-P681 HydrophobicContact CD1-CB 4.03Å; L586-P681 HydrophobicContact CD1-CG 4.24Å; M637-P681 HydrophobicContact CE-CB 4.22Å; L679-P681 VanDerWaalsContact C-CD 3.45Å; L679-P681 VanDerWaalsContact C-N 3.32Å; L679-P681 VanDerWaalsContact O-N 3.1Å; P681-R684 PolarHBondContact O-N 2.68Å
682	L	96.1	Very high	96.2	Very high	4 Å²	4	10 Å²	10	2%	0.021	5%	0.05	C	C	.	.	H	α-helix	trans	-73.5	-40.9	174.7	-71.2	76	0	0	0	110.1	H640 L679 R680 R684 L685 L727 M730	H640-L682 HydrophobicContact CB-CD1 3.91Å; L679-L682 PolarHBondContact O-N 3.18Å; R680-L682 VanDerWaalsContact C-N 3.34Å; R680-L682 PolarHBondContact O-N 3.49Å; L682-R684 VanDerWaalsContact C-N 3.26Å; L682-R684 PolarHBondContact O-N 3.38Å; L682-L685 WeakPolarHBondContact O-CB 3.49Å; L682-L685 PolarHBondContact O-N 3.4Å; L682-L727 HydrophobicContact CB-CD1 3.9Å; L682-L727 HydrophobicContact CB-CD2 4.45Å; L682-L727 HydrophobicContact CD2-CB 4.09Å; L682-L727 HydrophobicContact CD2-CD1 4.21Å; L682-M730 HydrophobicContact CD2-SD 3.95Å
683	H	96.4	Very high	96.4	Very high	3 Å²	3	14 Å²	14	1%	0.014	7%	0.068	C	C	.	.	H	α-helix	trans	-59.3	-35.6	172.3	-63.2	163.4	0	0	0	112.6	L679 R680 L685 I686 H687 E731 V926	L679-H683 PolarHBondContact O-N 2.94Å; R680-H683 PolarHBondContact O-N 3.05Å; H683-L685 VanDerWaalsContact C-N 3.29Å; H683-L685 PolarHBondContact O-N 3.27Å; H683-I686 WeakPolarHBondContact O-CB 3.5Å; H683-I686 PolarHBondContact O-N 3.18Å; H683-I686 VanDerWaalsContact O-N 3.17Å; H683-H687 PolarHBondContact O-CD2 3.46Å; H683-H687 VanDerWaalsContact O-CD2 3.27Å; H683-H687 PolarHBondContact O-N 3.12Å; H683-E731 IonicContact CD2-OE1 2.78Å; H683-E731 IonicContact CE1-OE1 3.14Å; H683-E731 IonicContact NE2-OE1 2.68Å; H683-E731 PolarHBondContact NE2-OE1 3.39Å; H683-V926 HydrophobicContact CB-CG1 4.09Å; H683-V926 WeakPolarHBondContact CD2-CG1 3.31Å; H683-V926 WeakPolarHBondContact NE2-CG1 3.26Å
684	R	97.5	Very high	96.5	Very high	8 Å²	8	15.2 Å²	15.2	3%	0.03	7%	0.07	C	C	.	.	H	α-helix	trans	-64.4	-32.9	-178.3	-168.8	63.3	-176.6	149.7	-0.6	112.9	L543 T546 E547 Y550 R680 P681 L682 I686 H687 Y688	L543-R684 PolarHBondContact O-NH2 3.18Å; T546-R684 VanDerWaalsContact CB-NH1 3.29Å; T546-R684 PolarHBondContact OG1-NH1 3.31Å; T546-R684 PolarHBondContact OG1-NH2 3.41Å; T546-R684 VanDerWaalsContact OG1-NH2 3.1Å; E547-R684 VanDerWaalsContact CA-NH2 3.35Å; E547-R684 VanDerWaalsContact N-NH2 3.12Å; E547-R684 IonicContact OE2-CZ 2.99Å; E547-R684 IonicContact OE2-NE 3.64Å; E547-R684 PolarHBondContact OE2-NE 3.48Å; E547-R684 IonicContact OE2-NH2 3.94Å; E547-R684 PolarHBondContact OE2-NH2 3.08Å; Y550-R684 HydrophobicContact CD1-CG 3.83Å; Y550-R684 HydrophobicContact CD2-CB 3.99Å; Y550-R684 HydrophobicContact CD2-CG 4.09Å; Y550-R684 HydrophobicContact CE1-CB 4.29Å; Y550-R684 HydrophobicContact CE1-CG 3.83Å; Y550-R684 HydrophobicContact CE2-CB 3.73Å; Y550-R684 HydrophobicContact CE2-CG 4.1Å; Y550-R684 HydrophobicContact CG-CB 4.38Å; Y550-R684 HydrophobicContact CG-CG 3.95Å; R680-R684 WeakPolarHBondContact O-CB 3.37Å; R680-R684 PolarHBondContact O-N 3.18Å; P681-R684 PolarHBondContact O-N 2.68Å; L682-R684 VanDerWaalsContact C-N 3.26Å; L682-R684 PolarHBondContact O-N 3.38Å; R684-I686 PolarHBondContact O-N 2.94Å; R684-H687 PolarHBondContact O-N 3.25Å; R684-Y688 HydrophobicContact CG-CE1 4.04Å; R684-Y688 HydrophobicContact CG-CE2 3.9Å; R684-Y688 PolarHBondContact O-N 3.35Å
685	L	96	Very high	96.6	Very high	3 Å²	3	15.1 Å²	15.1	2%	0.016	7%	0.07	C	C	.	.	H	α-helix	trans	-61.4	-41.8	173.9	-63.2	172.4	0	0	0	112.4	L630 M637 L682 H683 H687 Y688 K689 V716 V719 V720 L723	L630-L685 HydrophobicContact CD2-CD2 3.65Å; M637-L685 HydrophobicContact CE-CD1 4.27Å; M637-L685 HydrophobicContact CE-CD2 4.07Å; M637-L685 HydrophobicContact CE-CG 4.11Å; M637-L685 HydrophobicContact SD-CD1 3.74Å; M637-L685 HydrophobicContact SD-CD2 4.26Å; M637-L685 HydrophobicContact SD-CG 4.22Å; L682-L685 WeakPolarHBondContact O-CB 3.49Å; L682-L685 PolarHBondContact O-N 3.4Å; H683-L685 VanDerWaalsContact C-N 3.29Å; H683-L685 PolarHBondContact O-N 3.27Å; L685-H687 VanDerWaalsContact C-N 3.31Å; L685-H687 PolarHBondContact O-N 3.12Å; L685-Y688 PolarHBondContact O-N 3.14Å; L685-K689 PolarHBondContact O-N 2.95Å; L685-V716 HydrophobicContact CB-CG2 4.46Å; L685-V716 HydrophobicContact CD2-CG2 4.34Å; L685-V719 HydrophobicContact CD1-CG1 3.87Å; L685-V719 HydrophobicContact CD2-CG1 4.27Å; L685-V720 HydrophobicContact CB-CG2 3.63Å; L685-L723 HydrophobicContact CD1-CD1 3.42Å; L685-L723 VanDerWaalsContact CD1-CD1 3.42Å
686	I	95.3	Very high	96.7	Very high	26 Å²	26	15.5 Å²	15.5	13%	0.133	7%	0.073	C	C	.	.	H	α-helix	trans	-62.3	-42.3	176.9	-62.1	174.6	0	0	0	109.8	H683 R684 Y688 K689 Q690 V720 L727 E927	H683-I686 WeakPolarHBondContact O-CB 3.5Å; H683-I686 PolarHBondContact O-N 3.18Å; H683-I686 VanDerWaalsContact O-N 3.17Å; R684-I686 PolarHBondContact O-N 2.94Å; I686-Y688 PolarHBondContact O-N 3.41Å; I686-K689 WeakPolarHBondContact O-CB 3.3Å; I686-K689 PolarHBondContact O-N 2.84Å; I686-Q690 HydrophobicContact CG2-CG 4.49Å; I686-Q690 WeakPolarHBondContact O-CG 3.39Å; I686-Q690 PolarHBondContact O-N 3.19Å; I686-V720 HydrophobicContact CG1-CG1 4.4Å; I686-L727 HydrophobicContact CD1-CD2 3.57Å; I686-E927 HydrophobicContact CG2-CG 4.29Å
687	H	97.3	Very high	96.7	Very high	9 Å²	9	23.8 Å²	23.8	4%	0.042	11%	0.108	C	C	.	.	H	α-helix	trans	-63.2	-39	174.5	-70.7	-58.5	0	0	0	113.4	H683 R684 L685 Q690 I691 V926 E927	H683-H687 PolarHBondContact O-CD2 3.46Å; H683-H687 VanDerWaalsContact O-CD2 3.27Å; H683-H687 PolarHBondContact O-N 3.12Å; R684-H687 PolarHBondContact O-N 3.25Å; L685-H687 VanDerWaalsContact C-N 3.31Å; L685-H687 PolarHBondContact O-N 3.12Å; H687-Q690 PolarHBondContact ND1-OE1 3.24Å; H687-Q690 PolarHBondContact O-N 3.5Å; H687-I691 WeakPolarHBondContact O-CB 3.33Å; H687-I691 WeakPolarHBondContact O-CD1 3.34Å; H687-I691 WeakPolarHBondContact O-CG1 3.45Å; H687-I691 PolarHBondContact O-N 2.81Å; H687-V926 PolarHBondContact CE1-O 2.84Å; H687-V926 PolarHBondContact NE2-O 3.43Å; H687-V926 VanDerWaalsContact NE2-O 3.14Å; H687-E927 PolarHBondContact CE1-O 2.67Å
688	Y	98.2	Very high	96.5	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.016	12%	0.122	C	C	.	.	H	α-helix	trans	-62.6	-43.3	173	-64.6	-29.7	0	0	0	111.9	L543 E547 H590 F593 M623 L627 L630 R684 L685 I686 I691 L692	L543-Y688 HydrophobicContact CD1-CD1 3.82Å; L543-Y688 HydrophobicContact CD1-CE1 3.77Å; E547-Y688 PolarHBondContact OE1-OH 2.8Å; E547-Y688 WeakPolarHBondContact OE2-CE1 3.5Å; E547-Y688 PolarHBondContact OE2-OH 2.88Å; H590-Y688 PolarHBondContact CE1-OH 2.92Å; H590-Y688 PolarHBondContact ND1-OH 3.23Å; H590-Y688 VanDerWaalsContact ND1-OH 3.13Å; F593-Y688 AromaticContact CE1-CE1 3.81Å; F593-Y688 HydrophobicContact CE1-CE1 3.81Å; F593-Y688 AromaticContact CE1-CZ 3.76Å; F593-Y688 WeakPolarHBondContact CE1-OH 3.46Å; F593-Y688 HydrophobicContact CZ-CE1 4.38Å; M623-Y688 HydrophobicContact CE-CD1 4.06Å; M623-Y688 HydrophobicContact CE-CG 4.2Å; L627-Y688 HydrophobicContact CD2-CD2 3.96Å; L630-Y688 HydrophobicContact CD2-CE2 4.42Å; R684-Y688 HydrophobicContact CG-CE1 4.04Å; R684-Y688 HydrophobicContact CG-CE2 3.9Å; R684-Y688 PolarHBondContact O-N 3.35Å; L685-Y688 PolarHBondContact O-N 3.14Å; I686-Y688 PolarHBondContact O-N 3.41Å; Y688-I691 PolarHBondContact O-N 2.84Å; Y688-L692 WeakPolarHBondContact O-CB 3.35Å; Y688-L692 WeakPolarHBondContact O-CG 3.45Å; Y688-L692 PolarHBondContact O-N 3.23Å
689	K	97.6	Very high	96.3	Very high	41 Å²	41	27.1 Å²	27.1	18%	0.178	12%	0.123	C	C	.	.	H	α-helix	trans	-56	-53.8	174	-170.5	171.9	-179	169.9	0	110.8	L685 I686 I691 L692 E693 L713 V716 S717 V720 D721	L685-K689 PolarHBondContact O-N 2.95Å; I686-K689 WeakPolarHBondContact O-CB 3.3Å; I686-K689 PolarHBondContact O-N 2.84Å; K689-I691 VanDerWaalsContact C-N 3.35Å; K689-I691 PolarHBondContact O-N 2.84Å; K689-L692 PolarHBondContact O-N 3.15Å; K689-E693 VanDerWaalsContact O-CG 3.32Å; K689-E693 WeakPolarHBondContact O-CG 3.38Å; K689-E693 PolarHBondContact O-N 2.78Å; K689-L713 HydrophobicContact CG-CD1 3.92Å; K689-V716 HydrophobicContact CB-CG1 3.97Å; K689-V716 HydrophobicContact CG-CG1 4.39Å; K689-S717 VanDerWaalsContact CE-OG 3.27Å; K689-S717 WeakPolarHBondContact CE-OG 3.45Å; K689-V720 HydrophobicContact CD-CB 4.34Å; K689-V720 HydrophobicContact CD-CG1 4.24Å; K689-V720 HydrophobicContact CD-CG2 4.31Å; K689-D721 IonicContact NZ-OD1 3.68Å; K689-D721 PolarHBondContact NZ-OD1 2.98Å
690	Q	97	Very high	96	Very high	30 Å²	30	30.8 Å²	30.8	14%	0.14	15%	0.146	C	C	.	.	H	α-helix	trans	-60.6	-35	177.3	-69.3	174.6	-13.3	0	0	114.7	I686 H687 R694 E927	I686-Q690 HydrophobicContact CG2-CG 4.49Å; I686-Q690 WeakPolarHBondContact O-CG 3.39Å; I686-Q690 PolarHBondContact O-N 3.19Å; H687-Q690 PolarHBondContact ND1-OE1 3.24Å; H687-Q690 PolarHBondContact O-N 3.5Å; Q690-R694 WeakPolarHBondContact O-CG 3.49Å; Q690-R694 PolarHBondContact O-N 3.44Å; Q690-R694 PolarHBondContact O-NE 3.07Å; Q690-E927 PolarHBondContact NE2-O 3.15Å; Q690-E927 PolarHBondContact OE1-O 3.39Å
691	I	97.7	Very high	95.7	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.015	17%	0.173	C	C	.	.	H	α-helix	trans	-68.5	-44.8	176.6	-74.5	164	0	0	0	109.5	I539 L543 H687 Y688 K689 R694 L695	I539-I691 HydrophobicContact CG2-CG2 4.05Å; L543-I691 HydrophobicContact CB-CD1 4.03Å; L543-I691 HydrophobicContact CB-CG2 4.33Å; L543-I691 HydrophobicContact CD1-CD1 3.83Å; H687-I691 WeakPolarHBondContact O-CB 3.33Å; H687-I691 WeakPolarHBondContact O-CD1 3.34Å; H687-I691 WeakPolarHBondContact O-CG1 3.45Å; H687-I691 PolarHBondContact O-N 2.81Å; Y688-I691 PolarHBondContact O-N 2.84Å; K689-I691 VanDerWaalsContact C-N 3.35Å; K689-I691 PolarHBondContact O-N 2.84Å; I691-R694 PolarHBondContact O-N 3.07Å; I691-L695 HydrophobicContact CG2-CD1 4.15Å; I691-L695 WeakPolarHBondContact O-CG 3.23Å; I691-L695 PolarHBondContact O-N 3.07Å
692	L	98.2	Very high	95.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-70.8	-36.3	-180	-72.8	164.4	0	0	0	112.9	M623 L627 Y688 K689 R694 L695 C696 C709 A712 L713 V716	M623-L692 HydrophobicContact CB-CD2 4.02Å; M623-L692 HydrophobicContact CE-CD1 3.75Å; M623-L692 HydrophobicContact CE-CD2 4.26Å; M623-L692 HydrophobicContact CE-CG 3.93Å; M623-L692 HydrophobicContact CG-CD2 4.08Å; L627-L692 HydrophobicContact CD1-CD1 3.61Å; Y688-L692 WeakPolarHBondContact O-CB 3.35Å; Y688-L692 WeakPolarHBondContact O-CG 3.45Å; Y688-L692 PolarHBondContact O-N 3.23Å; K689-L692 PolarHBondContact O-N 3.15Å; L692-R694 VanDerWaalsContact C-N 3.3Å; L692-R694 PolarHBondContact O-N 3.39Å; L692-L695 HydrophobicContact CD2-CD1 4.33Å; L692-L695 PolarHBondContact O-N 3.48Å; L692-C696 WeakPolarHBondContact O-CB 3.23Å; L692-C696 PolarHBondContact O-N 3.35Å; L692-C696 PolarHBondContact O-SG 2.94Å; L692-C709 HydrophobicContact CD2-CB 4.15Å; L692-A712 HydrophobicContact CD1-CB 3.77Å; L692-A712 HydrophobicContact CD2-CB 3.85Å; L692-A712 HydrophobicContact CG-CB 4.48Å; L692-L713 HydrophobicContact CB-CB 4.05Å; L692-L713 HydrophobicContact CB-CD1 4.08Å; L692-V716 HydrophobicContact CD1-CG1 4Å
693	E	97.5	Very high	95	Very high	91 Å²	91	43.2 Å²	43.2	43%	0.425	23%	0.226	S	C	.	.	H	α-helix	trans	-57.5	-43.3	170	-74.6	169	171.9	0	0	111.4	K689 C696 K697 L713	K689-E693 VanDerWaalsContact O-CG 3.32Å; K689-E693 WeakPolarHBondContact O-CG 3.38Å; K689-E693 PolarHBondContact O-N 2.78Å; E693-C696 PolarHBondContact O-N 3.44Å; E693-K697 WeakPolarHBondContact O-CB 3.47Å; E693-K697 PolarHBondContact O-N 2.93Å; E693-L713 HydrophobicContact CG-CD1 3.69Å; E693-L713 HydrophobicContact CG-CD2 3.93Å; E693-L713 HydrophobicContact CG-CG 4.49Å
694	R	96.6	Very high	94.4	Very high	50 Å²	50	48.9 Å²	48.9	19%	0.189	25%	0.253	C	S	.	.	H	α-helix	trans	-70.5	-36.5	178	-72.5	178.7	-69.8	157.7	-8.2	113	I539 E542 Q690 I691 L692 K697 H698 Y1010 R1014	I539-R694 HydrophobicContact CD1-CB 4.42Å; E542-R694 IonicContact OE1-CZ 2.64Å; E542-R694 VanDerWaalsContact OE1-CZ 3.3Å; E542-R694 IonicContact OE1-NH1 3.23Å; E542-R694 PolarHBondContact OE1-NH1 2.95Å; E542-R694 IonicContact OE1-NH2 3.17Å; E542-R694 PolarHBondContact OE1-NH2 3.06Å; E542-R694 IonicContact OE2-CZ 2.68Å; E542-R694 IonicContact OE2-NH1 2.61Å; E542-R694 PolarHBondContact OE2-NH1 3.12Å; E542-R694 IonicContact OE2-NH2 2.96Å; Q690-R694 WeakPolarHBondContact O-CG 3.49Å; Q690-R694 PolarHBondContact O-N 3.44Å; Q690-R694 PolarHBondContact O-NE 3.07Å; I691-R694 PolarHBondContact O-N 3.07Å; L692-R694 VanDerWaalsContact C-N 3.3Å; L692-R694 PolarHBondContact O-N 3.39Å; R694-K697 PolarHBondContact O-N 3.47Å; R694-H698 WeakPolarHBondContact O-CB 3.45Å; R694-H698 PolarHBondContact O-N 3.14Å; R694-H698 VanDerWaalsContact O-N 3.07Å; R694-Y1010 PolarHBondContact NH1-OH 2.64Å; R694-R1014 VanDerWaalsContact NH1-NE 3.17Å
695	L	95.8	Very high	94.1	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-65.7	-45.1	171.7	-70.7	168.5	0	0	0	111.5	A536 I539 I619 I691 L692 K697 H698 Y699 C709	A536-L695 HydrophobicContact CB-CD2 4.25Å; I539-L695 HydrophobicContact CB-CD2 3.93Å; I539-L695 HydrophobicContact CB-CG 4.47Å; I539-L695 HydrophobicContact CD1-CD2 4.15Å; I539-L695 HydrophobicContact CG2-CD1 4.37Å; I539-L695 HydrophobicContact CG2-CD2 3.76Å; I539-L695 HydrophobicContact CG2-CG 3.74Å; I619-L695 HydrophobicContact CG2-CD1 3.63Å; I619-L695 HydrophobicContact CG2-CD2 4.37Å; I691-L695 HydrophobicContact CG2-CD1 4.15Å; I691-L695 WeakPolarHBondContact O-CG 3.23Å; I691-L695 PolarHBondContact O-N 3.07Å; L692-L695 HydrophobicContact CD2-CD1 4.33Å; L692-L695 PolarHBondContact O-N 3.48Å; L695-K697 VanDerWaalsContact C-N 3.27Å; L695-K697 PolarHBondContact O-N 2.85Å; L695-H698 PolarHBondContact O-N 3.33Å; L695-H698 VanDerWaalsContact O-N 3.12Å; L695-Y699 HydrophobicContact CB-CD2 4.38Å; L695-Y699 HydrophobicContact CB-CE2 4.26Å; L695-Y699 HydrophobicContact CD2-CE2 4.12Å; L695-Y699 VanDerWaalsContact O-CD2 3.31Å; L695-Y699 WeakPolarHBondContact O-CD2 3.35Å; L695-Y699 PolarHBondContact O-N 3.3Å; L695-C709 HydrophobicContact CB-CB 4.36Å
696	C	96.3	Very high	94	Very high	23 Å²	23	50.1 Å²	50.1	16%	0.155	26%	0.258	C	S	.	.	H	α-helix	trans	-64.2	-29.6	175.9	-66.4	0	0	0	0	112.9	L692 E693 F706 L713	L692-C696 WeakPolarHBondContact O-CB 3.23Å; L692-C696 PolarHBondContact O-N 3.35Å; L692-C696 PolarHBondContact O-SG 2.94Å; E693-C696 PolarHBondContact O-N 3.44Å; C696-F706 WeakPolarHBondContact O-CE2 3.48Å; C696-L713 HydrophobicContact CB-CD2 4.47Å
697	K	95.6	Very high	94	Very high	189 Å²	189	57.6 Å²	57.6	82%	0.822	29%	0.285	S	S	*	.	H	α-helix	trans	-77.8	-24.2	173.9	-173.8	172.7	-179.7	176.7	0	113.2	E693 R694 L695	E693-K697 WeakPolarHBondContact O-CB 3.47Å; E693-K697 PolarHBondContact O-N 2.93Å; R694-K697 PolarHBondContact O-N 3.47Å; L695-K697 VanDerWaalsContact C-N 3.27Å; L695-K697 PolarHBondContact O-N 2.85Å
698	H	92.4	Very high	93.9	Very high	65 Å²	65	59.3 Å²	59.3	30%	0.301	29%	0.294	S	S	.	.	H	α-helix	trans	-84.9	-45.8	178.1	177.8	68.9	0	0	0	112.5	D534 R535 I539 R694 L695	D534-H698 IonicContact OD1-CE1 2.81Å; D534-H698 PolarHBondContact OD1-CE1 3.44Å; D534-H698 IonicContact OD1-NE2 3.16Å; D534-H698 PolarHBondContact OD1-NE2 2.86Å; R535-H698 VanDerWaalsContact CB-CE1 3.49Å; R535-H698 WeakPolarHBondContact CB-CE1 3.44Å; I539-H698 HydrophobicContact CD1-CB 4.47Å; R694-H698 WeakPolarHBondContact O-CB 3.45Å; R694-H698 PolarHBondContact O-N 3.14Å; R694-H698 VanDerWaalsContact O-N 3.07Å; L695-H698 PolarHBondContact O-N 3.33Å; L695-H698 VanDerWaalsContact O-N 3.12Å
699	Y	92.4	Very high	93.8	Very high	11 Å²	11	59.1 Å²	59.1	4%	0.043	29%	0.293	C	S	.	.	S	Bend	trans	-78.4	135.1	-177.1	-65	-51.4	0	0	0	112.5	A536 L695 H703 D705 F706	A536-Y699 HydrophobicContact CB-CE1 3.77Å; L695-Y699 HydrophobicContact CB-CD2 4.38Å; L695-Y699 HydrophobicContact CB-CE2 4.26Å; L695-Y699 HydrophobicContact CD2-CE2 4.12Å; L695-Y699 VanDerWaalsContact O-CD2 3.31Å; L695-Y699 WeakPolarHBondContact O-CD2 3.35Å; L695-Y699 PolarHBondContact O-N 3.3Å; Y699-H703 HydrophobicContact CD1-CB 4.4Å; Y699-H703 AromaticContact CD1-CE1 3.56Å; Y699-H703 AromaticContact CD1-CG 3.77Å; Y699-H703 AromaticContact CD1-ND1 3.3Å; Y699-H703 VanDerWaalsContact CD1-ND1 3.3Å; Y699-H703 WeakPolarHBondContact CD1-ND1 3.32Å; Y699-H703 AromaticContact CE1-CE1 3.24Å; Y699-H703 WeakPolarHBondContact CE1-CE1 3.44Å; Y699-H703 AromaticContact CE1-ND1 3.45Å; Y699-H703 WeakPolarHBondContact CE1-ND1 3.33Å; Y699-H703 AromaticContact CE1-NE2 3.96Å; Y699-H703 HydrophobicContact CG-CB 4.45Å; Y699-H703 AromaticContact CG-ND1 3.7Å; Y699-H703 AromaticContact CZ-CE1 3.78Å; Y699-H703 AromaticContact CZ-ND1 3.92Å; Y699-D705 HydrophobicContact CD2-CB 4.16Å; Y699-D705 HydrophobicContact CE1-CB 4.47Å; Y699-D705 HydrophobicContact CE2-CB 3.58Å; Y699-D705 WeakPolarHBondContact CE2-OD2 3.42Å; Y699-D705 VanDerWaalsContact CZ-OD2 3.24Å; Y699-D705 PolarHBondContact OH-OD2 2.94Å; Y699-F706 VanDerWaalsContact O-CD2 3.29Å; Y699-F706 WeakPolarHBondContact O-CD2 3.4Å
700	P	89.9	Confident	93.8	Very high	77 Å²	77	65 Å²	65	50%	0.5	32%	0.315	S	S	.	.			trans	-70.1	155.4	167.6	31	-34.8	0	0	0	110.7	T702 H703	P700-T702 PolarHBondContact O-N 3.29Å; P700-H703 HydrophobicContact CG-CB 4.23Å; P700-H703 VanDerWaalsContact O-CB 3.31Å; P700-H703 WeakPolarHBondContact O-CB 3.47Å; P700-H703 PolarHBondContact O-N 2.85Å
701	A	89.8	Confident	93.8	Very high	70 Å²	70	65.5 Å²	65.5	58%	0.579	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-8.5	-178.3	0	0	0	0	0	115.4	F706	A701-F706 HydrophobicContact CB-CD1 4.21Å; A701-F706 HydrophobicContact CB-CE1 3.91Å; A701-F706 HydrophobicContact CB-CZ 4.2Å
702	T	88.2	Confident	93.8	Very high	134 Å²	134	65.4 Å²	65.4	82%	0.822	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-12.1	173.5	50.7	0	0	0	0	113.9	P700	P700-T702 PolarHBondContact O-N 3.29Å
703	H	88.9	Confident	93.8	Very high	70 Å²	70	66.9 Å²	66.9	32%	0.324	33%	0.331	S	S	.	.	S	Bend	trans	-74.6	142.7	177.9	-163.8	-103.4	0	0	0	110.7	Y699 P700 D705 F706	Y699-H703 HydrophobicContact CD1-CB 4.4Å; Y699-H703 AromaticContact CD1-CE1 3.56Å; Y699-H703 AromaticContact CD1-CG 3.77Å; Y699-H703 AromaticContact CD1-ND1 3.3Å; Y699-H703 VanDerWaalsContact CD1-ND1 3.3Å; Y699-H703 WeakPolarHBondContact CD1-ND1 3.32Å; Y699-H703 AromaticContact CE1-CE1 3.24Å; Y699-H703 WeakPolarHBondContact CE1-CE1 3.44Å; Y699-H703 AromaticContact CE1-ND1 3.45Å; Y699-H703 WeakPolarHBondContact CE1-ND1 3.33Å; Y699-H703 AromaticContact CE1-NE2 3.96Å; Y699-H703 HydrophobicContact CG-CB 4.45Å; Y699-H703 AromaticContact CG-ND1 3.7Å; Y699-H703 AromaticContact CZ-CE1 3.78Å; Y699-H703 AromaticContact CZ-ND1 3.92Å; P700-H703 HydrophobicContact CG-CB 4.23Å; P700-H703 VanDerWaalsContact O-CB 3.31Å; P700-H703 WeakPolarHBondContact O-CB 3.47Å; P700-H703 PolarHBondContact O-N 2.85Å; H703-D705 WeakPolarHBondContact ND1-CB 3.41Å; H703-D705 PolarHBondContact ND1-N 3.34Å; H703-D705 PolarHBondContact O-N 3.18Å; H703-F706 HydrophobicContact CB-CB 4.31Å; H703-F706 WeakPolarHBondContact O-CB 3.43Å; H703-F706 PolarHBondContact O-N 3.33Å
704	E	83.8	Confident	93.8	Very high	122 Å²	122	65.4 Å²	65.4	57%	0.57	33%	0.334	S	S	*	.	H	α-helix	trans	-58.8	-52.9	179.5	-61.2	-170.5	162.3	0	0	111.2	R618 F706 R707	R618-E704 IonicContact NH1-OE2 3.55Å; R618-E704 PolarHBondContact NH1-OE2 3.32Å; E704-F706 PolarHBondContact O-N 3.27Å; E704-R707 PolarHBondContact O-N 3.03Å
705	D	91.8	Very high	93.8	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-64.5	-14.3	-175.9	-150	40.1	0	0	0	113.4	R618 I619 G620 Y699 H703 R707 C709	R618-D705 HydrophobicContact CB-CB 3.94Å; I619-D705 PolarHBondContact N-OD1 3.21Å; I619-D705 PolarHBondContact N-OD2 2.99Å; G620-D705 WeakPolarHBondContact CA-OD1 3.33Å; G620-D705 VanDerWaalsContact N-CG 3.34Å; G620-D705 PolarHBondContact N-OD1 3.39Å; G620-D705 PolarHBondContact N-OD2 3.31Å; Y699-D705 HydrophobicContact CD2-CB 4.16Å; Y699-D705 HydrophobicContact CE1-CB 4.47Å; Y699-D705 HydrophobicContact CE2-CB 3.58Å; Y699-D705 WeakPolarHBondContact CE2-OD2 3.42Å; Y699-D705 VanDerWaalsContact CZ-OD2 3.24Å; Y699-D705 PolarHBondContact OH-OD2 2.94Å; H703-D705 WeakPolarHBondContact ND1-CB 3.41Å; H703-D705 PolarHBondContact ND1-N 3.34Å; H703-D705 PolarHBondContact O-N 3.18Å; D705-R707 VanDerWaalsContact C-N 3.32Å; D705-C709 WeakPolarHBondContact O-CB 3.49Å; D705-C709 PolarHBondContact O-N 3.09Å; D705-C709 PolarHBondContact O-SG 2.84Å
706	F	94	Very high	93.9	Very high	36 Å²	36	64.2 Å²	64.2	16%	0.158	33%	0.332	C	S	.	.	H	α-helix	trans	-65.7	-36.4	173.2	178.3	-92	0	0	0	111.5	C696 Y699 A701 H703 E704 R710	C696-F706 WeakPolarHBondContact O-CE2 3.48Å; Y699-F706 VanDerWaalsContact O-CD2 3.29Å; Y699-F706 WeakPolarHBondContact O-CD2 3.4Å; A701-F706 HydrophobicContact CB-CD1 4.21Å; A701-F706 HydrophobicContact CB-CE1 3.91Å; A701-F706 HydrophobicContact CB-CZ 4.2Å; H703-F706 HydrophobicContact CB-CB 4.31Å; H703-F706 WeakPolarHBondContact O-CB 3.43Å; H703-F706 PolarHBondContact O-N 3.33Å; E704-F706 PolarHBondContact O-N 3.27Å; F706-R710 WeakPolarHBondContact O-CB 3.38Å; F706-R710 PolarHBondContact O-N 2.94Å
707	R	94.6	Very high	94	Very high	184 Å²	184	64.2 Å²	64.2	69%	0.694	33%	0.332	S	S	*	.	H	α-helix	trans	-67.5	-48.3	179.5	-64.7	-174.4	177.6	-161.8	-0	110.6	E704 D705 R710 A711	E704-R707 PolarHBondContact O-N 3.03Å; D705-R707 VanDerWaalsContact C-N 3.32Å; R707-R710 PolarHBondContact O-N 3.46Å; R707-A711 WeakPolarHBondContact O-CB 3.34Å; R707-A711 PolarHBondContact O-N 3.24Å
708	D	95.8	Very high	94	Very high	44 Å²	44	59.7 Å²	59.7	24%	0.235	31%	0.314	C	S	.	.	H	α-helix	trans	-70.7	-42.6	-177.2	-59.9	-16.1	0	0	0	111	G620 L624 R710 A711 A712	G620-D708 VanDerWaalsContact C-CB 3.48Å; L624-D708 HydrophobicContact CD2-CB 4.22Å; D708-R710 VanDerWaalsContact C-N 3.31Å; D708-R710 PolarHBondContact O-N 3.26Å; D708-A711 PolarHBondContact O-N 3.46Å; D708-A712 WeakPolarHBondContact O-CB 3.5Å; D708-A712 PolarHBondContact O-N 3.47Å
709	C	97	Very high	94.1	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-59.1	-39.4	171.4	-72.9	0	0	0	0	112.5	G620 L692 L695 D705 L713	G620-C709 VanDerWaalsContact CA-SG 3.54Å; L692-C709 HydrophobicContact CD2-CB 4.15Å; L695-C709 HydrophobicContact CB-CB 4.36Å; D705-C709 WeakPolarHBondContact O-CB 3.49Å; D705-C709 PolarHBondContact O-N 3.09Å; D705-C709 PolarHBondContact O-SG 2.84Å; C709-L713 VanDerWaalsContact O-CB 3.27Å; C709-L713 WeakPolarHBondContact O-CB 3.28Å; C709-L713 PolarHBondContact O-N 3.38Å
710	R	97.3	Very high	94.2	Very high	166 Å²	166	56.9 Å²	56.9	63%	0.626	30%	0.302	S	S	*	.	H	α-helix	trans	-72.9	-37.1	-179.8	-173.5	177.2	-178.3	-165.7	0.6	112.5	F706 R707 D708 L713 A714	F706-R710 WeakPolarHBondContact O-CB 3.38Å; F706-R710 PolarHBondContact O-N 2.94Å; R707-R710 PolarHBondContact O-N 3.46Å; D708-R710 VanDerWaalsContact C-N 3.31Å; D708-R710 PolarHBondContact O-N 3.26Å; R710-L713 PolarHBondContact O-N 3.26Å; R710-A714 PolarHBondContact O-N 2.84Å; R710-A714 VanDerWaalsContact O-N 3.12Å
711	A	96.9	Very high	94.5	Very high	40 Å²	40	58.2 Å²	58.2	33%	0.331	31%	0.305	S	S	.	.	H	α-helix	trans	-65.4	-45.5	172.1	0	0	0	0	0	110.8	L624 R707 D708 L713 A714 D715	L624-A711 HydrophobicContact CD1-CB 3.61Å; L624-A711 HydrophobicContact CD2-CB 4.17Å; R707-A711 WeakPolarHBondContact O-CB 3.34Å; R707-A711 PolarHBondContact O-N 3.24Å; D708-A711 PolarHBondContact O-N 3.46Å; A711-L713 VanDerWaalsContact C-N 3.29Å; A711-L713 PolarHBondContact O-N 3.24Å; A711-A714 WeakPolarHBondContact O-CB 3.42Å; A711-A714 PolarHBondContact O-N 3.06Å; A711-A714 VanDerWaalsContact O-N 3.17Å; A711-D715 PolarHBondContact O-N 3.11Å
712	A	97.9	Very high	94.7	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-60.8	-38.6	175.6	0	0	0	0	0	111.9	M623 L624 L627 L692 D708 D715 V716	M623-A712 HydrophobicContact CB-CB 4.14Å; L624-A712 HydrophobicContact CB-CB 4.13Å; L624-A712 HydrophobicContact CD1-CB 4.3Å; L627-A712 HydrophobicContact CD1-CB 3.97Å; L692-A712 HydrophobicContact CD1-CB 3.77Å; L692-A712 HydrophobicContact CD2-CB 3.85Å; L692-A712 HydrophobicContact CG-CB 4.48Å; D708-A712 WeakPolarHBondContact O-CB 3.5Å; D708-A712 PolarHBondContact O-N 3.47Å; A712-D715 PolarHBondContact O-N 3.38Å; A712-V716 WeakPolarHBondContact O-CG1 3.21Å; A712-V716 PolarHBondContact O-N 3.13Å
713	L	98.1	Very high	94.9	Very high	31 Å²	31	53.7 Å²	53.7	16%	0.162	26%	0.263	C	S	.	.	H	α-helix	trans	-64.5	-40.2	176.1	-179.5	54.3	0	0	0	111.9	K689 L692 E693 C696 C709 R710 A711 V716 S717	K689-L713 HydrophobicContact CG-CD1 3.92Å; L692-L713 HydrophobicContact CB-CB 4.05Å; L692-L713 HydrophobicContact CB-CD1 4.08Å; E693-L713 HydrophobicContact CG-CD1 3.69Å; E693-L713 HydrophobicContact CG-CD2 3.93Å; E693-L713 HydrophobicContact CG-CG 4.49Å; C696-L713 HydrophobicContact CB-CD2 4.47Å; C709-L713 VanDerWaalsContact O-CB 3.27Å; C709-L713 WeakPolarHBondContact O-CB 3.28Å; C709-L713 PolarHBondContact O-N 3.38Å; R710-L713 PolarHBondContact O-N 3.26Å; A711-L713 VanDerWaalsContact C-N 3.29Å; A711-L713 PolarHBondContact O-N 3.24Å; L713-V716 HydrophobicContact CD1-CG1 4.41Å; L713-S717 WeakPolarHBondContact O-CB 3.32Å; L713-S717 PolarHBondContact O-N 3.14Å; L713-S717 PolarHBondContact O-OG 2.86Å
714	A	97.6	Very high	95.1	Very high	60 Å²	60	53.8 Å²	53.8	50%	0.496	26%	0.263	S	S	.	.	H	α-helix	trans	-65.1	-47.6	173.4	0	0	0	0	0	111.1	R710 A711 V716 S717 E718	R710-A714 PolarHBondContact O-N 2.84Å; R710-A714 VanDerWaalsContact O-N 3.12Å; A711-A714 WeakPolarHBondContact O-CB 3.42Å; A711-A714 PolarHBondContact O-N 3.06Å; A711-A714 VanDerWaalsContact O-N 3.17Å; A714-V716 PolarHBondContact O-N 2.96Å; A714-S717 PolarHBondContact O-N 2.91Å; A714-E718 PolarHBondContact O-N 3.29Å
715	D	96.7	Very high	95.6	Very high	26 Å²	26	50.1 Å²	50.1	14%	0.139	26%	0.259	C	S	.	.	H	α-helix	trans	-60.1	-40	180	-80.6	-22.1	0	0	0	113	Q628 K631 A711 A712 V719	Q628-D715 WeakPolarHBondContact CG-OD2 3.12Å; Q628-D715 PolarHBondContact NE2-OD2 3.33Å; K631-D715 VanDerWaalsContact CE-OD1 3.25Å; K631-D715 WeakPolarHBondContact CE-OD1 3.36Å; K631-D715 IonicContact NZ-OD1 3.46Å; K631-D715 PolarHBondContact NZ-OD1 3.34Å; A711-D715 PolarHBondContact O-N 3.11Å; A712-D715 PolarHBondContact O-N 3.38Å; D715-V719 WeakPolarHBondContact O-CG2 3.37Å
716	V	97.2	Very high	95.6	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	27%	0.268	C	S	.	.	H	α-helix	trans	-79.3	-32.4	175.6	74.7	0	0	0	0	112.9	L627 L685 K689 L692 A712 L713 A714 E718 V719 V720	L627-V716 HydrophobicContact CD1-CB 4Å; L627-V716 HydrophobicContact CD2-CB 3.97Å; L627-V716 HydrophobicContact CD2-CG2 3.89Å; L685-V716 HydrophobicContact CB-CG2 4.46Å; L685-V716 HydrophobicContact CD2-CG2 4.34Å; K689-V716 HydrophobicContact CB-CG1 3.97Å; K689-V716 HydrophobicContact CG-CG1 4.39Å; L692-V716 HydrophobicContact CD1-CG1 4Å; A712-V716 WeakPolarHBondContact O-CG1 3.21Å; A712-V716 PolarHBondContact O-N 3.13Å; L713-V716 HydrophobicContact CD1-CG1 4.41Å; A714-V716 PolarHBondContact O-N 2.96Å; V716-E718 VanDerWaalsContact C-N 3.35Å; V716-V719 PolarHBondContact O-N 3.4Å; V716-V720 HydrophobicContact CG2-CG2 4.31Å; V716-V720 WeakPolarHBondContact O-CB 3.44Å; V716-V720 WeakPolarHBondContact O-CG2 3.33Å; V716-V720 PolarHBondContact O-N 3.23Å
717	S	97.4	Very high	95.6	Very high	23 Å²	23	50 Å²	50	16%	0.161	26%	0.262	C	S	.	.	H	α-helix	trans	-64	-42.6	176.4	-62.5	0	0	0	0	110.9	K689 L713 A714 V719 V720 D721	K689-S717 VanDerWaalsContact CE-OG 3.27Å; K689-S717 WeakPolarHBondContact CE-OG 3.45Å; L713-S717 WeakPolarHBondContact O-CB 3.32Å; L713-S717 PolarHBondContact O-N 3.14Å; L713-S717 PolarHBondContact O-OG 2.86Å; A714-S717 PolarHBondContact O-N 2.91Å; S717-V719 VanDerWaalsContact C-N 3.32Å; S717-V719 PolarHBondContact O-N 2.85Å; S717-V720 PolarHBondContact O-N 3.42Å; S717-D721 VanDerWaalsContact O-CB 3.28Å; S717-D721 WeakPolarHBondContact O-CB 3.16Å; S717-D721 PolarHBondContact O-N 3.43Å
718	E	95.8	Very high	95.6	Very high	94 Å²	94	45.4 Å²	45.4	44%	0.439	25%	0.25	S	S	.	.	H	α-helix	trans	-53.9	-47.6	173.6	-171.8	-166.7	177.6	0	0	111.9	K631 A714 V716 Q722	K631-E718 IonicContact NZ-OE2 3.69Å; K631-E718 PolarHBondContact NZ-OE2 3.42Å; A714-E718 PolarHBondContact O-N 3.29Å; V716-E718 VanDerWaalsContact C-N 3.35Å; E718-Q722 WeakPolarHBondContact O-CB 3.32Å; E718-Q722 VanDerWaalsContact O-CG 3.24Å; E718-Q722 WeakPolarHBondContact O-CG 3.41Å; E718-Q722 PolarHBondContact O-N 3.4Å; E718-Q722 PolarHBondContact OE1-NE2 3.05Å
719	V	95.1	Very high	95.4	Very high	8 Å²	8	50.6 Å²	50.6	5%	0.048	27%	0.271	C	S	.	.	H	α-helix	trans	-71.5	-38	-178.6	177.9	0	0	0	0	112.2	K631 T634 L685 D715 V716 S717 L723	K631-V719 HydrophobicContact CG-CG2 4.1Å; T634-V719 HydrophobicContact CG2-CG1 3.96Å; L685-V719 HydrophobicContact CD1-CG1 3.87Å; L685-V719 HydrophobicContact CD2-CG1 4.27Å; D715-V719 WeakPolarHBondContact O-CG2 3.37Å; V716-V719 PolarHBondContact O-N 3.4Å; S717-V719 VanDerWaalsContact C-N 3.32Å; S717-V719 PolarHBondContact O-N 2.85Å; V719-L723 HydrophobicContact CG1-CD1 3.98Å; V719-L723 WeakPolarHBondContact O-CB 3.28Å; V719-L723 WeakPolarHBondContact O-CG 3.49Å; V719-L723 PolarHBondContact O-N 3.35Å; V719-L723 VanDerWaalsContact O-N 3.13Å
720	V	95.3	Very high	95.3	Very high	9 Å²	9	50.9 Å²	50.9	6%	0.055	27%	0.272	C	S	.	.	H	α-helix	trans	-62.8	-49.2	173.3	167.6	0	0	0	0	110.5	L685 I686 K689 V716 S717 Q722 L723 Q724	L685-V720 HydrophobicContact CB-CG2 3.63Å; I686-V720 HydrophobicContact CG1-CG1 4.4Å; K689-V720 HydrophobicContact CD-CB 4.34Å; K689-V720 HydrophobicContact CD-CG1 4.24Å; K689-V720 HydrophobicContact CD-CG2 4.31Å; V716-V720 HydrophobicContact CG2-CG2 4.31Å; V716-V720 WeakPolarHBondContact O-CB 3.44Å; V716-V720 WeakPolarHBondContact O-CG2 3.33Å; V716-V720 PolarHBondContact O-N 3.23Å; S717-V720 PolarHBondContact O-N 3.42Å; V720-Q722 VanDerWaalsContact C-N 3.28Å; V720-Q722 PolarHBondContact O-N 3.2Å; V720-L723 PolarHBondContact O-N 2.95Å; V720-Q724 WeakPolarHBondContact O-CB 3.45Å; V720-Q724 PolarHBondContact O-N 2.75Å
721	D	94.8	Very high	95.2	Very high	105 Å²	105	43.8 Å²	43.8	56%	0.561	25%	0.246	S	C	*	.	H	α-helix	trans	-68.1	-29.6	-174.7	-60.3	-6.8	0	0	0	111.1	K689 S717	K689-D721 IonicContact NZ-OD1 3.68Å; K689-D721 PolarHBondContact NZ-OD1 2.98Å; S717-D721 VanDerWaalsContact O-CB 3.28Å; S717-D721 WeakPolarHBondContact O-CB 3.16Å; S717-D721 PolarHBondContact O-N 3.43Å
722	Q	93.9	Very high	95.2	Very high	104 Å²	104	43.1 Å²	43.1	49%	0.486	24%	0.236	S	C	.	.	H	α-helix	trans	-65.6	-44.2	167.7	-74.8	172.8	22	0	0	113	E718 V720	E718-Q722 WeakPolarHBondContact O-CB 3.32Å; E718-Q722 VanDerWaalsContact O-CG 3.24Å; E718-Q722 WeakPolarHBondContact O-CG 3.41Å; E718-Q722 PolarHBondContact O-N 3.4Å; E718-Q722 PolarHBondContact OE1-NE2 3.05Å; V720-Q722 VanDerWaalsContact C-N 3.28Å; V720-Q722 PolarHBondContact O-N 3.2Å
723	L	93.6	Very high	95	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-85.1	-19	-174.6	-74.8	168.8	0	0	0	114.4	T634 M637 H638 L685 V719 V720 G725 S726 L727	T634-L723 HydrophobicContact CG2-CD1 4.22Å; T634-L723 HydrophobicContact CG2-CG 4.33Å; M637-L723 HydrophobicContact CB-CD1 3.89Å; M637-L723 HydrophobicContact CB-CD2 4.23Å; M637-L723 HydrophobicContact SD-CD1 4.04Å; H638-L723 VanDerWaalsContact CE1-CD2 3.5Å; H638-L723 WeakPolarHBondContact CE1-CD2 3.46Å; L685-L723 HydrophobicContact CD1-CD1 3.42Å; L685-L723 VanDerWaalsContact CD1-CD1 3.42Å; V719-L723 HydrophobicContact CG1-CD1 3.98Å; V719-L723 WeakPolarHBondContact O-CB 3.28Å; V719-L723 WeakPolarHBondContact O-CG 3.49Å; V719-L723 PolarHBondContact O-N 3.35Å; V719-L723 VanDerWaalsContact O-N 3.13Å; V720-L723 PolarHBondContact O-N 2.95Å; L723-G725 VanDerWaalsContact C-N 3.28Å; L723-G725 PolarHBondContact O-N 2.67Å; L723-G725 VanDerWaalsContact O-N 3.16Å; L723-S726 WeakPolarHBondContact O-CA 3.45Å; L723-S726 WeakPolarHBondContact O-CB 3.47Å; L723-S726 PolarHBondContact O-N 3.26Å; L723-L727 PolarHBondContact O-N 3.27Å
724	Q	93.6	Very high	94.9	Very high	72 Å²	72	44.3 Å²	44.3	34%	0.336	24%	0.242	S	C	.	.	H	α-helix	trans	-53.3	-41.3	-171.4	-172.6	65.3	12	0	0	113.3	V720 S726 L727 I728	V720-Q724 WeakPolarHBondContact O-CB 3.45Å; V720-Q724 PolarHBondContact O-N 2.75Å; Q724-S726 VanDerWaalsContact C-N 3.26Å; Q724-S726 PolarHBondContact O-N 2.83Å; Q724-L727 PolarHBondContact O-N 2.9Å; Q724-I728 HydrophobicContact CG-CD1 4.03Å; Q724-I728 WeakPolarHBondContact O-CG1 3.37Å; Q724-I728 PolarHBondContact O-N 3.41Å; Q724-I728 VanDerWaalsContact O-N 3.09Å
725	G	92.6	Very high	94.8	Very high	46 Å²	46	41.9 Å²	41.9	47%	0.474	22%	0.221	S	C	.	.	H	α-helix	trans	-70.5	-16.3	178.9	0	0	0	0	0	114.9	L723 K729	L723-G725 VanDerWaalsContact C-N 3.28Å; L723-G725 PolarHBondContact O-N 2.67Å; L723-G725 VanDerWaalsContact O-N 3.16Å; G725-K729 WeakPolarHBondContact O-CD 3.36Å; G725-K729 WeakPolarHBondContact O-CE 3.28Å; G725-K729 WeakPolarHBondContact O-CG 3.23Å
726	S	92.3	Very high	94.7	Very high	28 Å²	28	40.9 Å²	40.9	20%	0.196	22%	0.216	C	C	.	.	H	α-helix	trans	-88	-45.5	168.7	-166	0	0	0	0	110.6	L723 Q724 I728 K729 M730	L723-S726 WeakPolarHBondContact O-CA 3.45Å; L723-S726 WeakPolarHBondContact O-CB 3.47Å; L723-S726 PolarHBondContact O-N 3.26Å; Q724-S726 VanDerWaalsContact C-N 3.26Å; Q724-S726 PolarHBondContact O-N 2.83Å; S726-I728 PolarHBondContact O-N 3.15Å; S726-K729 WeakPolarHBondContact O-CB 3.36Å; S726-K729 PolarHBondContact O-N 3.12Å; S726-K729 VanDerWaalsContact O-N 3.11Å; S726-M730 PolarHBondContact O-N 3.49Å
727	L	94.1	Very high	94.5	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.026	22%	0.22	C	C	.	.	H	α-helix	trans	-55.4	-49.5	-179.4	178.4	57.2	0	0	0	112.6	L679 L682 I686 L723 Q724 K729 M730 E731	L679-L727 HydrophobicContact CD2-CD1 4.27Å; L682-L727 HydrophobicContact CB-CD1 3.9Å; L682-L727 HydrophobicContact CB-CD2 4.45Å; L682-L727 HydrophobicContact CD2-CB 4.09Å; L682-L727 HydrophobicContact CD2-CD1 4.21Å; I686-L727 HydrophobicContact CD1-CD2 3.57Å; L723-L727 PolarHBondContact O-N 3.27Å; Q724-L727 PolarHBondContact O-N 2.9Å; L727-K729 PolarHBondContact O-N 3.02Å; L727-M730 WeakPolarHBondContact O-CB 3.41Å; L727-M730 PolarHBondContact O-N 2.88Å; L727-E731 HydrophobicContact CD1-CG 3.91Å; L727-E731 HydrophobicContact CG-CG 4.32Å; L727-E731 WeakPolarHBondContact O-CG 3.32Å; L727-E731 PolarHBondContact O-N 3.34Å
728	I	93.8	Very high	94.3	Very high	88 Å²	88	41.7 Å²	41.7	45%	0.451	22%	0.218	S	C	.	.	H	α-helix	trans	-57	-39.9	179.6	-66.9	166.2	0	0	0	111.3	Q724 S726 N732	Q724-I728 HydrophobicContact CG-CD1 4.03Å; Q724-I728 WeakPolarHBondContact O-CG1 3.37Å; Q724-I728 PolarHBondContact O-N 3.41Å; Q724-I728 VanDerWaalsContact O-N 3.09Å; S726-I728 PolarHBondContact O-N 3.15Å; I728-N732 PolarHBondContact O-N 2.7Å; I728-N732 VanDerWaalsContact O-N 3.13Å
729	K	93.1	Very high	94.2	Very high	153 Å²	153	37.4 Å²	37.4	67%	0.665	20%	0.198	S	C	*	.	H	α-helix	trans	-69.3	-39.7	177.8	-63.9	175	-174.7	172.5	0	111.6	G725 S726 L727 L733	G725-K729 WeakPolarHBondContact O-CD 3.36Å; G725-K729 WeakPolarHBondContact O-CE 3.28Å; G725-K729 WeakPolarHBondContact O-CG 3.23Å; S726-K729 WeakPolarHBondContact O-CB 3.36Å; S726-K729 PolarHBondContact O-N 3.12Å; S726-K729 VanDerWaalsContact O-N 3.11Å; L727-K729 PolarHBondContact O-N 3.02Å; K729-L733 VanDerWaalsContact O-CB 3.3Å; K729-L733 WeakPolarHBondContact O-CB 3.48Å; K729-L733 PolarHBondContact O-N 3.45Å
730	M	94.3	Very high	94.1	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.025	21%	0.208	C	C	.	.	H	α-helix	trans	-66.5	-41.1	175.8	-72.1	178.3	64.2	0	0	112.7	H640 L644 L679 L682 S726 L727 L733 Q734	H640-M730 HydrophobicContact CB-CE 3.5Å; H640-M730 VanDerWaalsContact CB-CE 3.5Å; H640-M730 HydrophobicContact CB-SD 4.16Å; L644-M730 HydrophobicContact CD1-CB 4.1Å; L644-M730 HydrophobicContact CD1-CE 3.74Å; L644-M730 HydrophobicContact CD1-CG 4.14Å; L644-M730 HydrophobicContact CG-CE 4.45Å; L679-M730 HydrophobicContact CD1-CE 4.18Å; L679-M730 HydrophobicContact CD2-CB 4.3Å; L679-M730 HydrophobicContact CG-CB 4.31Å; L679-M730 HydrophobicContact CG-CE 4.03Å; L682-M730 HydrophobicContact CD2-SD 3.95Å; S726-M730 PolarHBondContact O-N 3.49Å; L727-M730 WeakPolarHBondContact O-CB 3.41Å; L727-M730 PolarHBondContact O-N 2.88Å; M730-L733 PolarHBondContact O-N 2.74Å; M730-Q734 VanDerWaalsContact O-CB 3.23Å; M730-Q734 WeakPolarHBondContact O-CB 3.38Å; M730-Q734 PolarHBondContact O-N 2.96Å
731	E	95.7	Very high	93.8	Very high	18 Å²	18	41.2 Å²	41.2	8%	0.084	21%	0.214	C	C	.	.	H	α-helix	trans	-63.4	-44	176.5	-70.6	-173.8	156.2	0	0	111	L679 H683 L727 T735 M919 S923	L679-E731 HydrophobicContact CD2-CB 4.23Å; L679-E731 HydrophobicContact CD2-CG 3.48Å; L679-E731 VanDerWaalsContact CD2-CG 3.48Å; H683-E731 IonicContact CD2-OE1 2.78Å; H683-E731 IonicContact CE1-OE1 3.14Å; H683-E731 IonicContact NE2-OE1 2.68Å; H683-E731 PolarHBondContact NE2-OE1 3.39Å; L727-E731 HydrophobicContact CD1-CG 3.91Å; L727-E731 HydrophobicContact CG-CG 4.32Å; L727-E731 WeakPolarHBondContact O-CG 3.32Å; L727-E731 PolarHBondContact O-N 3.34Å; E731-T735 WeakPolarHBondContact O-CB 3.22Å; E731-T735 PolarHBondContact O-N 2.61Å; E731-T735 PolarHBondContact O-OG1 2.66Å; E731-M919 HydrophobicContact CB-CE 3.49Å; E731-M919 VanDerWaalsContact CB-CE 3.49Å; E731-S923 PolarHBondContact OE2-OG 2.94Å
732	N	96	Very high	93.7	Very high	25 Å²	25	36.4 Å²	36.4	13%	0.134	19%	0.188	C	C	.	.	H	α-helix	trans	-62.3	-50.1	174.2	179.9	53.9	0	0	0	111.3	I728 Q734 T735 L736 R754 E755 F756 M919	I728-N732 PolarHBondContact O-N 2.7Å; I728-N732 VanDerWaalsContact O-N 3.13Å; N732-Q734 PolarHBondContact O-N 2.68Å; N732-T735 PolarHBondContact O-N 3.01Å; N732-T735 VanDerWaalsContact O-N 3.13Å; N732-L736 WeakPolarHBondContact O-CG 3.46Å; N732-L736 PolarHBondContact O-N 2.76Å; N732-R754 PolarHBondContact ND2-O 3.49Å; N732-E755 WeakPolarHBondContact OD1-CA 3.41Å; N732-F756 PolarHBondContact OD1-N 2.9Å; N732-M919 HydrophobicContact CB-CE 4.38Å
733	L	94.8	Very high	93.7	Very high	29 Å²	29	32 Å²	32	15%	0.152	17%	0.167	C	C	.	.	H	α-helix	trans	-58.5	-46.5	178.6	177.5	60.7	0	0	0	111.9	L644 L645 K729 M730 T735 L736 L737 V750	L644-L733 HydrophobicContact CB-CD2 4.23Å; L645-L733 HydrophobicContact CD2-CD2 3.8Å; L645-L733 HydrophobicContact CG-CD2 4.24Å; K729-L733 VanDerWaalsContact O-CB 3.3Å; K729-L733 WeakPolarHBondContact O-CB 3.48Å; K729-L733 PolarHBondContact O-N 3.45Å; M730-L733 PolarHBondContact O-N 2.74Å; L733-T735 VanDerWaalsContact C-N 3.28Å; L733-T735 PolarHBondContact O-N 2.86Å; L733-L736 PolarHBondContact O-N 2.99Å; L733-L737 HydrophobicContact CD1-CD1 3.98Å; L733-L737 HydrophobicContact CD1-CG 4.17Å; L733-L737 HydrophobicContact CG-CD1 3.89Å; L733-L737 WeakPolarHBondContact O-CB 3.31Å; L733-L737 VanDerWaalsContact O-CG 3.28Å; L733-L737 WeakPolarHBondContact O-CG 3.41Å; L733-L737 PolarHBondContact O-N 3.16Å; L733-V750 HydrophobicContact CD1-CG1 3.78Å
734	Q	95.2	Very high	93.6	Very high	27 Å²	27	34.6 Å²	34.6	13%	0.126	18%	0.181	C	C	.	.	H	α-helix	trans	-58.8	-41.5	176.1	-179.3	-90.3	-79.3	0	0	111.5	N675 V676 L679 M730 N732 L737 E738	N675-Q734 HydrophobicContact CB-CG 3.6Å; V676-Q734 HydrophobicContact CG2-CG 4.49Å; L679-Q734 HydrophobicContact CD1-CB 4.03Å; L679-Q734 HydrophobicContact CD1-CG 4.14Å; M730-Q734 VanDerWaalsContact O-CB 3.23Å; M730-Q734 WeakPolarHBondContact O-CB 3.38Å; M730-Q734 PolarHBondContact O-N 2.96Å; N732-Q734 PolarHBondContact O-N 2.68Å; Q734-L737 PolarHBondContact O-N 2.88Å; Q734-E738 PolarHBondContact O-N 3.45Å
735	T	95.5	Very high	93.2	Very high	10 Å²	10	32.9 Å²	32.9	6%	0.061	18%	0.183	C	C	.	.	H	α-helix	trans	-68.5	-43.2	179.4	-56.3	0	0	0	0	111.6	E731 N732 L733 E738 L739 F756	E731-T735 WeakPolarHBondContact O-CB 3.22Å; E731-T735 PolarHBondContact O-N 2.61Å; E731-T735 PolarHBondContact O-OG1 2.66Å; N732-T735 PolarHBondContact O-N 3.01Å; N732-T735 VanDerWaalsContact O-N 3.13Å; L733-T735 VanDerWaalsContact C-N 3.28Å; L733-T735 PolarHBondContact O-N 2.86Å; T735-E738 PolarHBondContact O-N 2.55Å; T735-L739 HydrophobicContact CG2-CD1 4.16Å; T735-L739 WeakPolarHBondContact O-CB 3.09Å; T735-L739 VanDerWaalsContact O-CG 3.3Å; T735-L739 WeakPolarHBondContact O-CG 3.46Å; T735-L739 PolarHBondContact O-N 2.78Å; T735-F756 HydrophobicContact CG2-CB 4.14Å; T735-F756 HydrophobicContact CG2-CD1 3.55Å; T735-F756 HydrophobicContact CG2-CD2 4.39Å; T735-F756 HydrophobicContact CG2-CE1 4.02Å; T735-F756 HydrophobicContact CG2-CG 3.74Å
736	L	95.2	Very high	92.8	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.021	17%	0.165	C	C	.	.	H	α-helix	trans	-63.5	-40	174.8	-66	177	0	0	0	112.1	N732 L733 L739 Q740 V750 R754 F756 F778	N732-L736 WeakPolarHBondContact O-CG 3.46Å; N732-L736 PolarHBondContact O-N 2.76Å; L733-L736 PolarHBondContact O-N 2.99Å; L736-L739 PolarHBondContact O-N 2.74Å; L736-Q740 WeakPolarHBondContact O-CB 3.49Å; L736-Q740 PolarHBondContact O-N 2.95Å; L736-V750 HydrophobicContact CB-CG2 3.89Å; L736-R754 WeakPolarHBondContact CD1-O 3.48Å; L736-R754 HydrophobicContact CD2-CG 4.46Å; L736-F756 HydrophobicContact CD2-CB 4.27Å; L736-F778 HydrophobicContact CD2-CD1 3.81Å; L736-F778 HydrophobicContact CD2-CE1 3.54Å
737	L	92.8	Very high	91.9	Very high	17 Å²	17	34.5 Å²	34.5	9%	0.089	18%	0.179	C	C	.	.	H	α-helix	trans	-64.3	-41.7	176.1	-76.2	167.6	0	0	0	112.4	E648 L733 Q734 Q740 K741 V750	E648-L737 HydrophobicContact CB-CD2 4.22Å; E648-L737 HydrophobicContact CG-CD2 3.67Å; L733-L737 HydrophobicContact CD1-CD1 3.98Å; L733-L737 HydrophobicContact CD1-CG 4.17Å; L733-L737 HydrophobicContact CG-CD1 3.89Å; L733-L737 WeakPolarHBondContact O-CB 3.31Å; L733-L737 VanDerWaalsContact O-CG 3.28Å; L733-L737 WeakPolarHBondContact O-CG 3.41Å; L733-L737 PolarHBondContact O-N 3.16Å; Q734-L737 PolarHBondContact O-N 2.88Å; L737-Q740 PolarHBondContact O-N 3.13Å; L737-K741 PolarHBondContact O-N 3.48Å; L737-V750 HydrophobicContact CD2-CG2 3.9Å; L737-V750 HydrophobicContact CG-CG2 4.13Å
738	E	92.9	Very high	91.1	Very high	25 Å²	25	38.4 Å²	38.4	12%	0.117	20%	0.2	C	C	.	.	H	α-helix	trans	-68.7	-41.8	177.4	-164.2	66.1	-172.3	0	0	111.4	P673 Q734 T735 Q740 K741 D742	P673-E738 WeakPolarHBondContact CB-OE1 3.45Å; P673-E738 WeakPolarHBondContact CB-OE2 3.19Å; P673-E738 HydrophobicContact CG-CG 4.39Å; P673-E738 WeakPolarHBondContact CG-OE1 3.47Å; Q734-E738 PolarHBondContact O-N 3.45Å; T735-E738 PolarHBondContact O-N 2.55Å; E738-Q740 VanDerWaalsContact C-N 3.26Å; E738-Q740 PolarHBondContact O-N 2.86Å; E738-K741 WeakPolarHBondContact O-CB 3.19Å; E738-K741 PolarHBondContact O-N 2.82Å; E738-K741 IonicContact OE1-NZ 2.83Å; E738-K741 WeakPolarHBondContact OE2-CD 3.33Å; E738-K741 VanDerWaalsContact OE2-CE 3.28Å; E738-K741 WeakPolarHBondContact OE2-CE 3.41Å; E738-K741 IonicContact OE2-NZ 2.7Å; E738-K741 PolarHBondContact OE2-NZ 2.71Å; E738-D742 PolarHBondContact O-N 3.19Å
739	L	94.6	Very high	90.9	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	18%	0.179	C	C	.	.	H	α-helix	trans	-62.5	-32.3	172.9	-71	173.5	0	0	0	112.4	T735 L736 K741 D742 L743 L749 F756 L759 F776 F778 V907	T735-L739 HydrophobicContact CG2-CD1 4.16Å; T735-L739 WeakPolarHBondContact O-CB 3.09Å; T735-L739 VanDerWaalsContact O-CG 3.3Å; T735-L739 WeakPolarHBondContact O-CG 3.46Å; T735-L739 PolarHBondContact O-N 2.78Å; L736-L739 PolarHBondContact O-N 2.74Å; L739-K741 VanDerWaalsContact C-N 3.25Å; L739-K741 PolarHBondContact O-N 3.22Å; L739-D742 PolarHBondContact O-N 3Å; L739-L743 WeakPolarHBondContact O-CB 3.39Å; L739-L743 WeakPolarHBondContact O-CG 3.48Å; L739-L743 PolarHBondContact O-N 3.35Å; L739-L749 HydrophobicContact CB-CD2 3.6Å; L739-F756 HydrophobicContact CD1-CD2 3.64Å; L739-F756 HydrophobicContact CD1-CE2 3.95Å; L739-F756 HydrophobicContact CD1-CG 4.33Å; L739-L759 HydrophobicContact CD2-CD2 4.14Å; L739-F776 HydrophobicContact CD2-CD1 3.81Å; L739-F776 HydrophobicContact CD2-CE1 3.68Å; L739-F778 HydrophobicContact CD1-CE1 4.02Å; L739-F778 HydrophobicContact CD1-CZ 4.11Å; L739-V907 HydrophobicContact CD2-CG2 3.8Å
740	Q	92	Very high	90.7	Very high	57 Å²	57	28.3 Å²	28.3	27%	0.266	16%	0.155	S	C	.	.	H	α-helix	trans	-67.6	-23.6	173.7	-169.2	168.9	13.2	0	0	112.6	L736 L737 E738 L749	L736-Q740 WeakPolarHBondContact O-CB 3.49Å; L736-Q740 PolarHBondContact O-N 2.95Å; L737-Q740 PolarHBondContact O-N 3.13Å; E738-Q740 VanDerWaalsContact C-N 3.26Å; E738-Q740 PolarHBondContact O-N 2.86Å; Q740-L749 HydrophobicContact CB-CB 4.26Å; Q740-L749 HydrophobicContact CB-CD2 4.28Å; Q740-L749 HydrophobicContact CG-CB 4.35Å
741	K	90.2	Very high	90.3	Very high	40 Å²	40	29.9 Å²	29.9	17%	0.174	17%	0.165	C	C	.	.	H	α-helix	trans	-76.1	-40.7	170	-57.3	174.6	-170.3	169.7	0	112	E665 L737 E738 L739 Q794 R902	E665-K741 IonicContact OE1-NZ 3.58Å; E665-K741 PolarHBondContact OE1-NZ 2.93Å; E665-K741 IonicContact OE2-NZ 3.86Å; E665-K741 PolarHBondContact OE2-NZ 3.13Å; L737-K741 PolarHBondContact O-N 3.48Å; E738-K741 WeakPolarHBondContact O-CB 3.19Å; E738-K741 PolarHBondContact O-N 2.82Å; E738-K741 IonicContact OE1-NZ 2.83Å; E738-K741 WeakPolarHBondContact OE2-CD 3.33Å; E738-K741 VanDerWaalsContact OE2-CE 3.28Å; E738-K741 WeakPolarHBondContact OE2-CE 3.41Å; E738-K741 IonicContact OE2-NZ 2.7Å; E738-K741 PolarHBondContact OE2-NZ 2.71Å; L739-K741 VanDerWaalsContact C-N 3.25Å; L739-K741 PolarHBondContact O-N 3.22Å; K741-Q794 PolarHBondContact O-NE2 2.71Å; K741-R902 PolarHBondContact O-NH1 3.05Å
742	D	91.9	Very high	89.7	Confident	4 Å²	4	34.6 Å²	34.6	2%	0.021	20%	0.2	C	C	.	.	H	α-helix	trans	-76.2	-23.1	-174.7	-85.3	-13.8	0	0	0	113.8	E738 L739 Q794 F795 T905 V907 H908	E738-D742 PolarHBondContact O-N 3.19Å; L739-D742 PolarHBondContact O-N 3Å; D742-Q794 WeakPolarHBondContact O-CA 3.5Å; D742-Q794 WeakPolarHBondContact O-CB 3.24Å; D742-F795 PolarHBondContact O-N 3.16Å; D742-T905 WeakPolarHBondContact OD1-CG2 3.42Å; D742-T905 VanDerWaalsContact OD2-CB 3.32Å; D742-T905 WeakPolarHBondContact OD2-CB 3.35Å; D742-T905 WeakPolarHBondContact OD2-CG2 3.4Å; D742-T905 PolarHBondContact OD2-OG1 3.38Å; D742-V907 HydrophobicContact CB-CG2 4.4Å; D742-V907 WeakPolarHBondContact OD2-CB 3.38Å; D742-V907 WeakPolarHBondContact OD2-CG2 3.36Å; D742-H908 IonicContact OD1-CE1 3.8Å; D742-H908 PolarHBondContact OD1-CE1 3.41Å
743	L	93.1	Very high	89.2	Confident	10 Å²	10	35.7 Å²	35.7	5%	0.052	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	154.8	-177.7	-64.2	-178	0	0	0	113.7	L739 L749 F776 L783 F795 V797	L739-L743 WeakPolarHBondContact O-CB 3.39Å; L739-L743 WeakPolarHBondContact O-CG 3.48Å; L739-L743 PolarHBondContact O-N 3.35Å; L743-L749 HydrophobicContact CD1-CD2 4.13Å; L743-F776 HydrophobicContact CD2-CD2 4.31Å; L743-F776 HydrophobicContact CD2-CE1 4.46Å; L743-F776 HydrophobicContact CD2-CE2 3.65Å; L743-F776 HydrophobicContact CD2-CZ 3.74Å; L743-L783 HydrophobicContact CD1-CD1 4.42Å; L743-F795 WeakPolarHBondContact CA-O 3.48Å; L743-F795 HydrophobicContact CD2-CB 4.11Å; L743-V797 HydrophobicContact CB-CG2 4.38Å; L743-V797 HydrophobicContact CD1-CG2 4.29Å; L743-V797 HydrophobicContact CD2-CG2 4.13Å
744	L	91.5	Very high	89.1	Confident	60 Å²	60	34.7 Å²	34.7	31%	0.314	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	145.5	172.9	-71.6	171.5	0	0	0	110.5	T790 Q794 F795 K796 V797	L744-T790 HydrophobicContact CD1-CG2 3.74Å; L744-Q794 HydrophobicContact CD1-CB 3.77Å; L744-Q794 HydrophobicContact CD1-CG 4.48Å; L744-Q794 HydrophobicContact CG-CB 4.02Å; L744-F795 PolarHBondContact N-O 2.97Å; L744-K796 CarbonylContact O-C 3.59Å; L744-K796 WeakPolarHBondContact O-CA 3.42Å; L744-V797 PolarHBondContact O-N 2.89Å
745	G	85.1	Confident	89.1	Confident	36 Å²	36	38.3 Å²	38.3	37%	0.371	23%	0.228	S	C	.	.	S	Bend	trans	82.2	13.2	-179.5	0	0	0	0	0	114.9	C867	G745-C867 PolarHBondContact O-SG 3.04Å; G745-C867 VanDerWaalsContact O-SG 3.39Å
746	V	84.8	Confident	89.2	Confident	15 Å²	15	38.1 Å²	38.1	9%	0.091	23%	0.226	C	C	.	.			trans	-129	107.3	167.7	161.3	0	0	0	0	108.3	L749 L783 V797 L865	V746-L749 HydrophobicContact CG1-CB 4.23Å; V746-L749 HydrophobicContact CG1-CD1 4.09Å; V746-L783 HydrophobicContact CG1-CD1 4.37Å; V746-L783 HydrophobicContact CG2-CD1 4.25Å; V746-V797 HydrophobicContact CB-CG2 4.34Å; V746-V797 HydrophobicContact CG2-CB 3.84Å; V746-V797 HydrophobicContact CG2-CG1 3.78Å; V746-V797 HydrophobicContact CG2-CG2 3.76Å; V746-L865 HydrophobicContact CG1-CD2 3.99Å
747	D	72.8	Confident	89.3	Confident	93 Å²	93	39.9 Å²	39.9	50%	0.497	24%	0.235	S	C	.	.	S	Bend	trans	-79.1	149.7	168.1	-62.4	-52.1	0	0	0	109.5	L749	D747-L749 PolarHBondContact O-N 2.84Å
748	N	78.6	Confident	89.6	Confident	86 Å²	86	39.4 Å²	39.4	46%	0.46	23%	0.232	S	C	.	.			trans	53.2	54.7	177	-53	-49.7	0	0	0	114.5	V751 R754	N748-V751 WeakPolarHBondContact O-CG2 3.39Å; N748-R754 PolarHBondContact O-NH1 3.27Å
749	L	88.8	Confident	89.8	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.01	23%	0.228	C	C	.	.			trans	-64.6	-41.7	170.1	-172.2	69.8	0	0	0	111.6	L739 Q740 L743 V746 D747 V751 R754 F778 L783	L739-L749 HydrophobicContact CB-CD2 3.6Å; Q740-L749 HydrophobicContact CB-CB 4.26Å; Q740-L749 HydrophobicContact CB-CD2 4.28Å; Q740-L749 HydrophobicContact CG-CB 4.35Å; L743-L749 HydrophobicContact CD1-CD2 4.13Å; V746-L749 HydrophobicContact CG1-CB 4.23Å; V746-L749 HydrophobicContact CG1-CD1 4.09Å; D747-L749 PolarHBondContact O-N 2.84Å; L749-V751 PolarHBondContact O-N 2.72Å; L749-R754 PolarHBondContact O-NH1 2.59Å; L749-F778 HydrophobicContact CD1-CE1 4.43Å; L749-F778 HydrophobicContact CD1-CE2 4.15Å; L749-F778 HydrophobicContact CD1-CZ 3.86Å; L749-F778 HydrophobicContact CD2-CZ 4.46Å; L749-L783 HydrophobicContact CD1-CD1 3.71Å
750	V	88.9	Confident	89.9	Confident	27 Å²	27	38.2 Å²	38.2	16%	0.164	23%	0.227	C	C	.	.			trans	-74.4	105.2	174.1	-179	0	0	0	0	109.1	L733 L736 L737	L733-V750 HydrophobicContact CD1-CG1 3.78Å; L736-V750 HydrophobicContact CB-CG2 3.89Å; L737-V750 HydrophobicContact CD2-CG2 3.9Å; L737-V750 HydrophobicContact CG-CG2 4.13Å
751	V	85.6	Confident	90.1	Very high	39 Å²	39	35.7 Å²	35.7	24%	0.236	22%	0.215	C	C	.	.			trans	-130.7	143	178.7	-176.5	0	0	0	0	109.1	N748 L749 G753 R754 P860	N748-V751 WeakPolarHBondContact O-CG2 3.39Å; L749-V751 PolarHBondContact O-N 2.72Å; V751-G753 PolarHBondContact O-N 2.77Å; V751-R754 HydrophobicContact CB-CB 4.35Å; V751-R754 PolarHBondContact O-N 2.82Å; V751-R754 VanDerWaalsContact O-N 3.09Å; V751-P860 HydrophobicContact CG1-CB 4.36Å; V751-P860 HydrophobicContact CG1-CG 4.48Å
752	S	83.2	Confident	90.4	Very high	116 Å²	116	34 Å²	34	81%	0.811	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	126.6	174.9	-169.7	0	0	0	0	111	R754	S752-R754 VanDerWaalsContact C-N 3.33Å; S752-R754 PolarHBondContact O-N 3.13Å
753	G	86.6	Confident	90.7	Very high	48 Å²	48	35.5 Å²	35.5	50%	0.495	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	-4.1	-178.6	0	0	0	0	0	115.9	V751 N779	V751-G753 PolarHBondContact O-N 2.77Å; G753-N779 PolarHBondContact O-ND2 2.78Å
754	R	92.8	Very high	90.8	Very high	9 Å²	9	36.8 Å²	36.8	3%	0.034	22%	0.224	C	C	.	.			trans	-76.7	135.5	168.8	-176	171.8	-71	137.3	0.7	110.2	N732 L736 N748 L749 V751 S752 F778 N779 D780	N732-R754 PolarHBondContact ND2-O 3.49Å; L736-R754 WeakPolarHBondContact CD1-O 3.48Å; L736-R754 HydrophobicContact CD2-CG 4.46Å; N748-R754 PolarHBondContact O-NH1 3.27Å; L749-R754 PolarHBondContact O-NH1 2.59Å; V751-R754 HydrophobicContact CB-CB 4.35Å; V751-R754 PolarHBondContact O-N 2.82Å; V751-R754 VanDerWaalsContact O-N 3.09Å; S752-R754 VanDerWaalsContact C-N 3.33Å; S752-R754 PolarHBondContact O-N 3.13Å; R754-F778 HydrophobicContact CG-CB 3.97Å; R754-F778 HydrophobicContact CG-CD1 4.06Å; R754-F778 HydrophobicContact CG-CG 4.21Å; R754-N779 WeakPolarHBondContact CA-OD1 3.3Å; R754-D780 IonicContact CZ-OD1 3.48Å; R754-D780 IonicContact CZ-OD2 2.66Å; R754-D780 VanDerWaalsContact CZ-OD2 3.27Å; R754-D780 IonicContact NE-OD1 2.88Å; R754-D780 PolarHBondContact NE-OD1 3.5Å; R754-D780 IonicContact NE-OD2 2.86Å; R754-D780 PolarHBondContact NE-OD2 3.3Å; R754-D780 IonicContact NH2-OD2 2.61Å; R754-D780 PolarHBondContact NH2-OD2 2.98Å
755	E	94.8	Very high	90.9	Very high	103 Å²	103	35.9 Å²	35.9	48%	0.481	22%	0.22	S	C	.	.			trans	-127.1	136.6	177.7	-62.5	168.1	138.9	0	0	110.5	N732 F778 N779	N732-E755 WeakPolarHBondContact OD1-CA 3.41Å; E755-F778 CarbonylContact O-C 3.56Å; E755-F778 WeakPolarHBondContact O-CA 3.37Å; E755-F778 WeakPolarHBondContact O-CB 3.18Å; E755-N779 HydrophobicContact CB-CB 4.15Å; E755-N779 WeakPolarHBondContact CB-ND2 3.47Å; E755-N779 WeakPolarHBondContact CG-ND2 3.48Å; E755-N779 VanDerWaalsContact N-CG 3.3Å; E755-N779 PolarHBondContact N-ND2 3.03Å; E755-N779 PolarHBondContact N-OD1 2.94Å; E755-N779 PolarHBondContact O-N 2.68Å; E755-N779 PolarHBondContact OE2-ND2 2.91Å
756	F	97.6	Very high	91.2	Very high	6 Å²	6	35.4 Å²	35.4	3%	0.026	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	134.7	173.4	170.7	-103.6	0	0	0	111.2	N732 T735 L736 L739 R758 L759 F778 M919 F922	N732-F756 PolarHBondContact OD1-N 2.9Å; T735-F756 HydrophobicContact CG2-CB 4.14Å; T735-F756 HydrophobicContact CG2-CD1 3.55Å; T735-F756 HydrophobicContact CG2-CD2 4.39Å; T735-F756 HydrophobicContact CG2-CE1 4.02Å; T735-F756 HydrophobicContact CG2-CG 3.74Å; L736-F756 HydrophobicContact CD2-CB 4.27Å; L739-F756 HydrophobicContact CD1-CD2 3.64Å; L739-F756 HydrophobicContact CD1-CE2 3.95Å; L739-F756 HydrophobicContact CD1-CG 4.33Å; F756-R758 VanDerWaalsContact CZ-C 3.49Å; F756-L759 HydrophobicContact CE2-CB 3.8Å; F756-L759 HydrophobicContact CE2-CD2 4.14Å; F756-L759 HydrophobicContact CE2-CG 4.3Å; F756-L759 HydrophobicContact CZ-CB 3.88Å; F756-L759 HydrophobicContact CZ-CD2 3.75Å; F756-L759 HydrophobicContact CZ-CG 3.9Å; F756-L759 VanDerWaalsContact CZ-N 3.27Å; F756-F778 HydrophobicContact CB-CD1 4.32Å; F756-F778 HydrophobicContact CB-CE1 4.35Å; F756-F778 HydrophobicContact CD2-CD1 4.4Å; F756-F778 HydrophobicContact CD2-CE1 4.01Å; F756-M919 HydrophobicContact CD1-CB 3.96Å; F756-M919 HydrophobicContact CD1-CG 4.49Å; F756-M919 HydrophobicContact CD1-SD 3.89Å; F756-M919 HydrophobicContact CE1-CB 4.27Å; F756-M919 WeakPolarHBondContact O-CB 3.32Å; F756-F922 AromaticContact CE1-CD2 3.97Å; F756-F922 HydrophobicContact CE1-CD2 3.97Å; F756-F922 AromaticContact CE1-CE2 3.89Å; F756-F922 HydrophobicContact CE1-CE2 3.89Å; F756-F922 HydrophobicContact CZ-CE2 4.29Å
757	I	97.5	Very high	91.1	Very high	41 Å²	41	38.8 Å²	38.8	21%	0.21	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	-57.5	178.6	-55.6	179.8	0	0	0	111.2	L777 N779 D846 A850 S918 M919	I757-L777 HydrophobicContact CB-CD2 4Å; I757-L777 HydrophobicContact CB-CG 3.96Å; I757-L777 HydrophobicContact CD1-CD2 4.47Å; I757-L777 HydrophobicContact CD1-CG 4.29Å; I757-L777 HydrophobicContact CG2-CD2 3.75Å; I757-L777 HydrophobicContact CG2-CG 4.28Å; I757-L777 PolarHBondContact N-O 3.18Å; I757-N779 HydrophobicContact CD1-CB 4.2Å; I757-D846 HydrophobicContact CG2-CB 4.13Å; I757-A850 HydrophobicContact CD1-CB 3.6Å; I757-S918 CarbonylContact O-C 3.54Å; I757-S918 WeakPolarHBondContact O-CA 3.34Å; I757-S918 WeakPolarHBondContact O-CB 3.43Å; I757-M919 PolarHBondContact O-N 2.88Å
758	R	97.9	Very high	91.8	Very high	7 Å²	7	39.5 Å²	39.5	3%	0.026	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	136.9	-177.9	-176.9	176.2	-68.6	-74.2	-10.8	112.8	F756 F776 L777 W843 D846 S916 D921	F756-R758 VanDerWaalsContact CZ-C 3.49Å; R758-F776 CarbonylContact O-C 3.56Å; R758-F776 WeakPolarHBondContact O-CA 3.21Å; R758-L777 HydrophobicContact CB-CB 4.44Å; R758-L777 PolarHBondContact N-O 3.24Å; R758-L777 VanDerWaalsContact N-O 3.17Å; R758-L777 PolarHBondContact O-N 3.01Å; R758-W843 HydrophobicContact CB-CH2 4.38Å; R758-W843 HydrophobicContact CB-CZ3 4.32Å; R758-W843 HydrophobicContact CG-CD2 4.47Å; R758-W843 HydrophobicContact CG-CE3 4.42Å; R758-W843 HydrophobicContact CG-CH2 3.88Å; R758-W843 HydrophobicContact CG-CZ2 3.92Å; R758-W843 HydrophobicContact CG-CZ3 4.14Å; R758-D846 IonicContact CZ-OD2 3.53Å; R758-D846 IonicContact NE-OD2 2.69Å; R758-D846 PolarHBondContact NE-OD2 3.32Å; R758-D846 IonicContact NH2-OD2 3Å; R758-D846 PolarHBondContact NH2-OD2 3.15Å; R758-S916 PolarHBondContact NH1-OG 3.03Å; R758-D921 IonicContact NH1-OD2 2.71Å; R758-D921 IonicContact NH2-OD2 2.67Å
759	L	97.9	Very high	92.4	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.016	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	151.6	164.8	68.2	91.2	0	0	0	109.3	L739 F756 M774 F775 F776 V907 C910 S916 V917 F922	L739-L759 HydrophobicContact CD2-CD2 4.14Å; F756-L759 HydrophobicContact CE2-CB 3.8Å; F756-L759 HydrophobicContact CE2-CD2 4.14Å; F756-L759 HydrophobicContact CE2-CG 4.3Å; F756-L759 HydrophobicContact CZ-CB 3.88Å; F756-L759 HydrophobicContact CZ-CD2 3.75Å; F756-L759 HydrophobicContact CZ-CG 3.9Å; F756-L759 VanDerWaalsContact CZ-N 3.27Å; L759-M774 HydrophobicContact CD1-CE 4.31Å; L759-F775 WeakPolarHBondContact CA-O 3.29Å; L759-F776 HydrophobicContact CB-CD1 3.66Å; L759-F776 HydrophobicContact CB-CE1 3.96Å; L759-V907 HydrophobicContact CD1-CG2 4.42Å; L759-V907 HydrophobicContact CD2-CG2 4.18Å; L759-C910 HydrophobicContact CD1-CB 3.98Å; L759-C910 VanDerWaalsContact CD1-SG 3.56Å; L759-S916 CarbonylContact O-C 3.39Å; L759-S916 WeakPolarHBondContact O-CA 3.48Å; L759-S916 VanDerWaalsContact O-CB 3.22Å; L759-S916 WeakPolarHBondContact O-CB 3.36Å; L759-V917 PolarHBondContact N-O 3.31Å; L759-V917 PolarHBondContact O-N 3.1Å; L759-V917 VanDerWaalsContact O-O 3.14Å; L759-F922 HydrophobicContact CD2-CE2 4.12Å; L759-F922 HydrophobicContact CD2-CZ 4.31Å
760	G	96.8	Very high	92.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.3	-172.2	172.6	0	0	0	0	0	114	M774 F775 T915	G760-M774 VanDerWaalsContact C-CE 3.46Å; G760-M774 WeakPolarHBondContact O-CA 3.29Å; G760-M774 VanDerWaalsContact O-CE 3.32Å; G760-M774 WeakPolarHBondContact O-CE 3.45Å; G760-F775 PolarHBondContact N-O 2.9Å; G760-F775 PolarHBondContact O-N 3.35Å; G760-T915 VanDerWaalsContact CA-O 3.29Å; G760-T915 WeakPolarHBondContact CA-O 3.37Å
761	C	95.9	Very high	92.8	Very high	5 Å²	5	39.9 Å²	39.9	3%	0.034	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	126.6	-172.4	-172	0	0	0	0	112.2	Q772 R773 M774 T915	C761-Q772 WeakPolarHBondContact SG-CG 3.2Å; C761-Q772 PolarHBondContact SG-NE2 3.28Å; C761-R773 WeakPolarHBondContact CA-O 3.36Å; C761-R773 PolarHBondContact SG-O 3.2Å; C761-M774 HydrophobicContact CB-SD 3.75Å; C761-T915 PolarHBondContact N-O 3.44Å
762	L	97.2	Very high	93.2	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.016	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	162.9	173.6	-63.4	172.5	0	0	0	109.6	R773 F775 F821 V832 A834 W843	L762-R773 PolarHBondContact N-O 3.3Å; L762-R773 PolarHBondContact O-N 2.95Å; L762-R773 VanDerWaalsContact O-O 3.1Å; L762-F775 HydrophobicContact CB-CD2 3.68Å; L762-F775 HydrophobicContact CB-CE2 3.74Å; L762-F775 HydrophobicContact CD1-CD2 4.11Å; L762-F775 HydrophobicContact CD1-CE2 4.47Å; L762-F775 HydrophobicContact CD1-CG 4.19Å; L762-F775 HydrophobicContact CG-CD2 4.21Å; L762-F821 HydrophobicContact CD1-CZ 3.87Å; L762-F821 HydrophobicContact CD2-CZ 4.48Å; L762-V832 HydrophobicContact CB-CB 4.47Å; L762-V832 HydrophobicContact CD1-CB 4.39Å; L762-V832 HydrophobicContact CD1-CG2 4.27Å; L762-A834 HydrophobicContact CD2-CB 3.93Å; L762-W843 HydrophobicContact CD1-CD2 3.94Å; L762-W843 HydrophobicContact CD1-CE3 4.39Å; L762-W843 HydrophobicContact CD1-CG 4.12Å; L762-W843 HydrophobicContact CD2-CG 4.25Å; L762-W843 HydrophobicContact CG-CD2 4.47Å
763	S	96.8	Very high	93.9	Very high	37 Å²	37	36.5 Å²	36.5	26%	0.259	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	107	175.3	-60.2	0	0	0	0	110.6	Q771 V832 A833	S763-Q771 CarbonylContact C-O 3.52Å; S763-Q771 WeakPolarHBondContact CA-O 3.31Å; S763-V832 CarbonylContact O-C 3.49Å; S763-V832 WeakPolarHBondContact O-CA 3.32Å; S763-A833 PolarHBondContact N-O 3.28Å; S763-A833 PolarHBondContact O-N 2.84Å
764	K	96.3	Very high	94.4	Very high	37 Å²	37	34.2 Å²	34.2	16%	0.161	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	129.1	171.1	174.3	173.6	175.7	-180	0	108.9	Q771 R773 F775 Y784 V830	K764-Q771 PolarHBondContact N-O 3.05Å; K764-Q771 PolarHBondContact O-N 3.41Å; K764-R773 HydrophobicContact CB-CG 4.17Å; K764-F775 HydrophobicContact CB-CZ 4.5Å; K764-Y784 HydrophobicContact CD-CD2 4.36Å; K764-Y784 HydrophobicContact CD-CE2 3.7Å; K764-Y784 PolarHBondContact NZ-OH 2.66Å; K764-V830 HydrophobicContact CD-CG1 3.83Å; K764-V830 HydrophobicContact CG-CG1 3.88Å
765	L	93.7	Very high	94.7	Very high	41 Å²	41	33.9 Å²	33.9	22%	0.215	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	137.3	169.7	-173.5	62.4	0	0	0	109.6	L770 W815 V831	L765-L770 HydrophobicContact CB-CD2 4.12Å; L765-L770 HydrophobicContact CD1-CD2 3.94Å; L765-L770 HydrophobicContact CD1-CG 4.28Å; L765-W815 HydrophobicContact CD2-CB 4.19Å; L765-W815 HydrophobicContact CD2-CD2 3.95Å; L765-W815 HydrophobicContact CD2-CE3 3.73Å; L765-W815 HydrophobicContact CD2-CG 4.12Å; L765-V831 HydrophobicContact CB-CB 4.03Å; L765-V831 HydrophobicContact CB-CG1 4.17Å; L765-V831 HydrophobicContact CD2-CB 4.24Å; L765-V831 HydrophobicContact CD2-CG1 3.96Å; L765-V831 PolarHBondContact N-O 3.1Å
766	S	90.2	Very high	94.8	Very high	25 Å²	25	29 Å²	29	18%	0.175	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	175.5	171	113.6	0	0	0	0	109.8	K768 G769 Q771 E883	S766-K768 PolarHBondContact O-N 3.13Å; S766-K768 PolarHBondContact OG-N 2.79Å; S766-K768 VanDerWaalsContact OG-N 3.16Å; S766-G769 PolarHBondContact N-O 2.6Å; S766-G769 WeakPolarHBondContact O-CA 3.4Å; S766-G769 PolarHBondContact O-N 3.26Å; S766-Q771 PolarHBondContact OG-NE2 3.03Å; S766-E883 WeakPolarHBondContact CB-OE1 3.32Å; S766-E883 PolarHBondContact OG-OE1 2.8Å
767	G	84.3	Confident	94.8	Very high	86 Å²	86	28.7 Å²	28.7	89%	0.887	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-16.7	174.4	0	0	0	0	0	114.4
768	K	86.8	Confident	94.8	Very high	109 Å²	109	26.7 Å²	26.7	47%	0.474	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	15.4	173.2	-60.6	176	-172.9	139.7	0	113.5	S766 E883	S766-K768 PolarHBondContact O-N 3.13Å; S766-K768 PolarHBondContact OG-N 2.79Å; S766-K768 VanDerWaalsContact OG-N 3.16Å; K768-E883 VanDerWaalsContact CD-OE2 3.25Å; K768-E883 WeakPolarHBondContact CD-OE2 3.48Å; K768-E883 WeakPolarHBondContact CE-O 3.48Å; K768-E883 WeakPolarHBondContact CE-OE2 3.41Å; K768-E883 PolarHBondContact NZ-O 3.4Å; K768-E883 IonicContact NZ-OE2 3.38Å; K768-E883 PolarHBondContact NZ-OE2 3.23Å
769	G	91	Very high	94.6	Very high	31 Å²	31	27.6 Å²	27.6	32%	0.32	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	85.7	-162.2	-176	0	0	0	0	0	113.5	S766 Q771	S766-G769 PolarHBondContact N-O 2.6Å; S766-G769 WeakPolarHBondContact O-CA 3.4Å; S766-G769 PolarHBondContact O-N 3.26Å; G769-Q771 PolarHBondContact O-N 3.14Å
770	L	92.2	Very high	94.4	Very high	83 Å²	83	28.3 Å²	28.3	44%	0.435	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	127	-180	-71.3	174.8	0	0	0	111.8	L765 V817 A833	L765-L770 HydrophobicContact CB-CD2 4.12Å; L765-L770 HydrophobicContact CD1-CD2 3.94Å; L765-L770 HydrophobicContact CD1-CG 4.28Å; L770-V817 HydrophobicContact CD1-CG1 3.88Å; L770-V817 HydrophobicContact CD2-CG1 4.16Å; L770-V817 HydrophobicContact CG-CG1 4.49Å; L770-A833 HydrophobicContact CD2-CB 4.08Å
771	Q	93.9	Very high	94.2	Very high	9 Å²	9	28.3 Å²	28.3	4%	0.042	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	120.6	177.5	-48	-172.1	16.8	0	0	111.2	S763 K764 S766 G769 R773 R787	S763-Q771 CarbonylContact C-O 3.52Å; S763-Q771 WeakPolarHBondContact CA-O 3.31Å; K764-Q771 PolarHBondContact N-O 3.05Å; K764-Q771 PolarHBondContact O-N 3.41Å; S766-Q771 PolarHBondContact OG-NE2 3.03Å; G769-Q771 PolarHBondContact O-N 3.14Å; Q771-R773 PolarHBondContact O-N 3.02Å; Q771-R787 VanDerWaalsContact CD-NH1 3.34Å; Q771-R787 VanDerWaalsContact OE1-CZ 3.3Å
772	Q	95	Very high	94.2	Very high	71 Å²	71	28.1 Å²	28.1	33%	0.332	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	136.3	174	-163.7	-177.8	-15.4	0	0	111.5	C761 W911	C761-Q772 WeakPolarHBondContact SG-CG 3.2Å; C761-Q772 PolarHBondContact SG-NE2 3.28Å; Q772-W911 HydrophobicContact CB-CH2 4.08Å; Q772-W911 HydrophobicContact CB-CZ3 4.16Å; Q772-W911 HydrophobicContact CG-CE3 4.13Å; Q772-W911 HydrophobicContact CG-CH2 3.9Å; Q772-W911 HydrophobicContact CG-CZ3 3.6Å; Q772-W911 PolarHBondContact NE2-O 3.12Å
773	R	96.8	Very high	94.2	Very high	13 Å²	13	28 Å²	28	5%	0.049	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	159.3	175.5	-69.2	-56.9	-163.3	-78.4	-0.7	110.8	C761 L762 K764 Q771 F775 T785 S786	C761-R773 WeakPolarHBondContact CA-O 3.36Å; C761-R773 PolarHBondContact SG-O 3.2Å; L762-R773 PolarHBondContact N-O 3.3Å; L762-R773 PolarHBondContact O-N 2.95Å; L762-R773 VanDerWaalsContact O-O 3.1Å; K764-R773 HydrophobicContact CB-CG 4.17Å; Q771-R773 PolarHBondContact O-N 3.02Å; R773-F775 HydrophobicContact CB-CD2 4.13Å; R773-F775 HydrophobicContact CB-CE2 3.71Å; R773-T785 WeakPolarHBondContact CD-O 3.4Å; R773-T785 PolarHBondContact NE-O 3.46Å; R773-S786 WeakPolarHBondContact CD-O 3.45Å; R773-S786 VanDerWaalsContact NE-C 3.32Å; R773-S786 PolarHBondContact NE-O 3.31Å
774	M	97.6	Very high	94.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	144.6	159.1	-69.2	-56.7	-70	0	0	109.7	L759 G760 C761 F776 Y784 T785 F795 V907 C910 W911	L759-M774 HydrophobicContact CD1-CE 4.31Å; G760-M774 VanDerWaalsContact C-CE 3.46Å; G760-M774 WeakPolarHBondContact O-CA 3.29Å; G760-M774 VanDerWaalsContact O-CE 3.32Å; G760-M774 WeakPolarHBondContact O-CE 3.45Å; C761-M774 HydrophobicContact CB-SD 3.75Å; M774-F776 HydrophobicContact CB-CE2 3.62Å; M774-F776 HydrophobicContact CB-CZ 3.82Å; M774-F776 HydrophobicContact CE-CZ 4.44Å; M774-F776 HydrophobicContact CG-CZ 4.49Å; M774-Y784 WeakPolarHBondContact O-CA 3.39Å; M774-T785 HydrophobicContact CB-CG2 3.79Å; M774-T785 PolarHBondContact N-OG1 2.96Å; M774-T785 VanDerWaalsContact N-OG1 3.11Å; M774-T785 PolarHBondContact O-N 2.91Å; M774-T785 VanDerWaalsContact O-N 3.14Å; M774-F795 HydrophobicContact CB-CD1 4.42Å; M774-F795 HydrophobicContact CG-CD1 3.82Å; M774-F795 HydrophobicContact CG-CE1 3.59Å; M774-F795 HydrophobicContact CG-CZ 4.18Å; M774-V907 HydrophobicContact CE-CG1 3.84Å; M774-V907 HydrophobicContact CG-CG1 4.46Å; M774-C910 HydrophobicContact CE-CB 3.87Å; M774-W911 HydrophobicContact CG-CB 4.34Å; M774-W911 HydrophobicContact CG-CE3 3.78Å; M774-W911 HydrophobicContact SD-CB 3.74Å; M774-W911 HydrophobicContact SD-CE3 3.91Å
775	F	98.1	Very high	94.1	Very high	1 Å²	1	25 Å²	25	0%	0.004	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	144.1	174.5	-76.8	-100.6	0	0	0	109.1	L759 G760 L762 K764 R773 I782 L783 Y784 V832 W843	L759-F775 WeakPolarHBondContact CA-O 3.29Å; G760-F775 PolarHBondContact N-O 2.9Å; G760-F775 PolarHBondContact O-N 3.35Å; L762-F775 HydrophobicContact CB-CD2 3.68Å; L762-F775 HydrophobicContact CB-CE2 3.74Å; L762-F775 HydrophobicContact CD1-CD2 4.11Å; L762-F775 HydrophobicContact CD1-CE2 4.47Å; L762-F775 HydrophobicContact CD1-CG 4.19Å; L762-F775 HydrophobicContact CG-CD2 4.21Å; K764-F775 HydrophobicContact CB-CZ 4.5Å; R773-F775 HydrophobicContact CB-CD2 4.13Å; R773-F775 HydrophobicContact CB-CE2 3.71Å; F775-I782 HydrophobicContact CD1-CG2 3.9Å; F775-L783 WeakPolarHBondContact CA-O 3.3Å; F775-Y784 HydrophobicContact CD1-CG 4.4Å; F775-Y784 VanDerWaalsContact CE1-CB 3.47Å; F775-Y784 HydrophobicContact CE1-CD1 4.32Å; F775-Y784 HydrophobicContact CE1-CD2 4.5Å; F775-Y784 AromaticContact CE1-CG 3.89Å; F775-Y784 HydrophobicContact CE1-CG 3.89Å; F775-Y784 HydrophobicContact CZ-CD2 4.39Å; F775-Y784 HydrophobicContact CZ-CG 4.21Å; F775-V832 HydrophobicContact CE1-CG1 3.98Å; F775-V832 HydrophobicContact CE2-CG1 4.11Å; F775-V832 HydrophobicContact CZ-CG1 3.43Å; F775-V832 VanDerWaalsContact CZ-CG1 3.43Å; F775-W843 HydrophobicContact CB-CH2 3.73Å; F775-W843 HydrophobicContact CB-CZ2 4.27Å; F775-W843 HydrophobicContact CB-CZ3 4.23Å
776	F	98	Very high	94.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	111.2	-179.9	-53.3	-95.1	0	0	0	108.2	L739 L743 R758 L759 M774 F778 I782 L783 T785 V907	L739-F776 HydrophobicContact CD2-CD1 3.81Å; L739-F776 HydrophobicContact CD2-CE1 3.68Å; L743-F776 HydrophobicContact CD2-CD2 4.31Å; L743-F776 HydrophobicContact CD2-CE1 4.46Å; L743-F776 HydrophobicContact CD2-CE2 3.65Å; L743-F776 HydrophobicContact CD2-CZ 3.74Å; R758-F776 CarbonylContact O-C 3.56Å; R758-F776 WeakPolarHBondContact O-CA 3.21Å; L759-F776 HydrophobicContact CB-CD1 3.66Å; L759-F776 HydrophobicContact CB-CE1 3.96Å; M774-F776 HydrophobicContact CB-CE2 3.62Å; M774-F776 HydrophobicContact CB-CZ 3.82Å; M774-F776 HydrophobicContact CE-CZ 4.44Å; M774-F776 HydrophobicContact CG-CZ 4.49Å; F776-F778 HydrophobicContact CB-CE2 3.61Å; F776-F778 HydrophobicContact CB-CZ 3.9Å; F776-I782 CarbonylContact O-C 3.51Å; F776-I782 WeakPolarHBondContact O-CA 3.35Å; F776-L783 HydrophobicContact CB-CB 4.41Å; F776-L783 PolarHBondContact N-O 3.39Å; F776-L783 PolarHBondContact O-N 3.43Å; F776-T785 HydrophobicContact CE2-CG2 3.89Å; F776-V907 HydrophobicContact CE1-CG1 3.96Å; F776-V907 HydrophobicContact CE1-CG2 4.16Å; F776-V907 HydrophobicContact CZ-CG1 3.79Å
777	L	98.1	Very high	93.9	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	122.6	176.1	172.6	68.8	0	0	0	109.4	I757 R758 I782 L803 W843 D846 I847 A850	I757-L777 HydrophobicContact CB-CD2 4Å; I757-L777 HydrophobicContact CB-CG 3.96Å; I757-L777 HydrophobicContact CD1-CD2 4.47Å; I757-L777 HydrophobicContact CD1-CG 4.29Å; I757-L777 HydrophobicContact CG2-CD2 3.75Å; I757-L777 HydrophobicContact CG2-CG 4.28Å; I757-L777 PolarHBondContact N-O 3.18Å; R758-L777 HydrophobicContact CB-CB 4.44Å; R758-L777 PolarHBondContact N-O 3.24Å; R758-L777 VanDerWaalsContact N-O 3.17Å; R758-L777 PolarHBondContact O-N 3.01Å; L777-I782 HydrophobicContact CB-CG1 4.32Å; L777-I782 HydrophobicContact CD1-CD1 3.99Å; L777-I782 HydrophobicContact CD1-CG1 3.42Å; L777-I782 VanDerWaalsContact CD1-CG1 3.42Å; L777-I782 HydrophobicContact CG-CG1 4.47Å; L777-L803 HydrophobicContact CD1-CD1 4.01Å; L777-L803 HydrophobicContact CD1-CD2 4.12Å; L777-W843 HydrophobicContact CB-CZ3 4.03Å; L777-D846 HydrophobicContact CD2-CB 3.82Å; L777-I847 HydrophobicContact CD1-CG1 4.19Å; L777-I847 HydrophobicContact CD2-CG1 3.91Å; L777-A850 HydrophobicContact CD1-CB 4.07Å; L777-A850 HydrophobicContact CD2-CB 4.46Å
778	F	96.9	Very high	93.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	174	168.4	-54.7	-83.7	0	0	0	109.5	L736 L739 L749 R754 E755 F756 F776 D780 V781 L783 L803	L736-F778 HydrophobicContact CD2-CD1 3.81Å; L736-F778 HydrophobicContact CD2-CE1 3.54Å; L739-F778 HydrophobicContact CD1-CE1 4.02Å; L739-F778 HydrophobicContact CD1-CZ 4.11Å; L749-F778 HydrophobicContact CD1-CE1 4.43Å; L749-F778 HydrophobicContact CD1-CE2 4.15Å; L749-F778 HydrophobicContact CD1-CZ 3.86Å; L749-F778 HydrophobicContact CD2-CZ 4.46Å; R754-F778 HydrophobicContact CG-CB 3.97Å; R754-F778 HydrophobicContact CG-CD1 4.06Å; R754-F778 HydrophobicContact CG-CG 4.21Å; E755-F778 CarbonylContact O-C 3.56Å; E755-F778 WeakPolarHBondContact O-CA 3.37Å; E755-F778 WeakPolarHBondContact O-CB 3.18Å; F756-F778 HydrophobicContact CB-CD1 4.32Å; F756-F778 HydrophobicContact CB-CE1 4.35Å; F756-F778 HydrophobicContact CD2-CD1 4.4Å; F756-F778 HydrophobicContact CD2-CE1 4.01Å; F776-F778 HydrophobicContact CB-CE2 3.61Å; F776-F778 HydrophobicContact CB-CZ 3.9Å; F778-D780 WeakPolarHBondContact CB-OD1 3.5Å; F778-D780 PolarHBondContact O-N 2.8Å; F778-V781 HydrophobicContact CB-CG1 4.41Å; F778-V781 HydrophobicContact CD2-CG1 3.97Å; F778-V781 PolarHBondContact N-O 3.29Å; F778-L783 HydrophobicContact CD2-CD1 4.49Å; F778-L783 HydrophobicContact CD2-CG 4.33Å; F778-L783 HydrophobicContact CE2-CD1 3.78Å; F778-L783 HydrophobicContact CE2-CG 3.93Å; F778-L803 WeakPolarHBondContact O-CD1 3.38Å
779	N	94.3	Very high	93.9	Very high	25 Å²	25	23.8 Å²	23.8	13%	0.134	13%	0.127	C	C	.	.	S	Bend	trans	-69.7	-12.9	177.7	67.1	-10.9	0	0	0	114.6	G753 R754 E755 I757	G753-N779 PolarHBondContact O-ND2 2.78Å; R754-N779 WeakPolarHBondContact CA-OD1 3.3Å; E755-N779 HydrophobicContact CB-CB 4.15Å; E755-N779 WeakPolarHBondContact CB-ND2 3.47Å; E755-N779 WeakPolarHBondContact CG-ND2 3.48Å; E755-N779 VanDerWaalsContact N-CG 3.3Å; E755-N779 PolarHBondContact N-ND2 3.03Å; E755-N779 PolarHBondContact N-OD1 2.94Å; E755-N779 PolarHBondContact O-N 2.68Å; E755-N779 PolarHBondContact OE2-ND2 2.91Å; I757-N779 HydrophobicContact CD1-CB 4.2Å
780	D	92.1	Very high	93.7	Very high	19 Å²	19	24.1 Å²	24.1	10%	0.102	12%	0.123	C	C	.	.	S	Bend	trans	-114.4	-35.6	178.9	65.3	-33.6	0	0	0	114.2	R754 F778 L803	R754-D780 IonicContact CZ-OD1 3.48Å; R754-D780 IonicContact CZ-OD2 2.66Å; R754-D780 VanDerWaalsContact CZ-OD2 3.27Å; R754-D780 IonicContact NE-OD1 2.88Å; R754-D780 PolarHBondContact NE-OD1 3.5Å; R754-D780 IonicContact NE-OD2 2.86Å; R754-D780 PolarHBondContact NE-OD2 3.3Å; R754-D780 IonicContact NH2-OD2 2.61Å; R754-D780 PolarHBondContact NH2-OD2 2.98Å; F778-D780 WeakPolarHBondContact CB-OD1 3.5Å; F778-D780 PolarHBondContact O-N 2.8Å; D780-L803 PolarHBondContact O-N 3.16Å
781	V	93.3	Very high	93.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	151	-169.2	74.2	0	0	0	0	113.1	F778 L783 Q800 L865	F778-V781 HydrophobicContact CB-CG1 4.41Å; F778-V781 HydrophobicContact CD2-CG1 3.97Å; F778-V781 PolarHBondContact N-O 3.29Å; V781-L783 HydrophobicContact CG1-CD2 3.95Å; V781-L783 HydrophobicContact CG1-CG 4.19Å; V781-L783 HydrophobicContact CG2-CD2 4.02Å; V781-Q800 HydrophobicContact CG2-CB 3.93Å; V781-L865 HydrophobicContact CG1-CD1 4.07Å
782	I	96	Very high	92.5	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121.1	161.6	-64.6	159.2	0	0	0	109	F775 F776 L777 Q800 L801 L803 M806 I847	F775-I782 HydrophobicContact CD1-CG2 3.9Å; F776-I782 CarbonylContact O-C 3.51Å; F776-I782 WeakPolarHBondContact O-CA 3.35Å; L777-I782 HydrophobicContact CB-CG1 4.32Å; L777-I782 HydrophobicContact CD1-CD1 3.99Å; L777-I782 HydrophobicContact CD1-CG1 3.42Å; L777-I782 VanDerWaalsContact CD1-CG1 3.42Å; L777-I782 HydrophobicContact CG-CG1 4.47Å; I782-Q800 CarbonylContact O-C 3.53Å; I782-Q800 WeakPolarHBondContact O-CA 3.47Å; I782-L801 HydrophobicContact CB-CB 4.25Å; I782-L801 PolarHBondContact N-O 2.89Å; I782-L801 PolarHBondContact O-N 3.13Å; I782-L803 HydrophobicContact CD1-CD2 3.68Å; I782-L803 HydrophobicContact CG1-CD2 3.84Å; I782-M806 HydrophobicContact CD1-CE 3.94Å; I782-M806 HydrophobicContact CD1-SD 4.06Å; I782-I847 HydrophobicContact CD1-CD1 3.99Å; I782-I847 HydrophobicContact CD1-CG1 4.01Å; I782-I847 HydrophobicContact CD1-CG2 4.15Å
783	L	96.1	Very high	92.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	145.3	170.7	-53.6	-177.4	0	0	0	110.5	L743 V746 L749 F775 F776 F778 V781 V797 Q800 L865	L743-L783 HydrophobicContact CD1-CD1 4.42Å; V746-L783 HydrophobicContact CG1-CD1 4.37Å; V746-L783 HydrophobicContact CG2-CD1 4.25Å; L749-L783 HydrophobicContact CD1-CD1 3.71Å; F775-L783 WeakPolarHBondContact CA-O 3.3Å; F776-L783 HydrophobicContact CB-CB 4.41Å; F776-L783 PolarHBondContact N-O 3.39Å; F776-L783 PolarHBondContact O-N 3.43Å; F778-L783 HydrophobicContact CD2-CD1 4.49Å; F778-L783 HydrophobicContact CD2-CG 4.33Å; F778-L783 HydrophobicContact CE2-CD1 3.78Å; F778-L783 HydrophobicContact CE2-CG 3.93Å; V781-L783 HydrophobicContact CG1-CD2 3.95Å; V781-L783 HydrophobicContact CG1-CG 4.19Å; V781-L783 HydrophobicContact CG2-CD2 4.02Å; L783-V797 HydrophobicContact CB-CG1 4.48Å; L783-Q800 HydrophobicContact CD2-CB 3.59Å; L783-L865 HydrophobicContact CD2-CD1 4.12Å
784	Y	96.1	Very high	91.9	Very high	9 Å²	9	25.4 Å²	25.4	4%	0.035	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	153.4	173.2	75.2	-86	0	0	0	113.6	K764 M774 F775 H798 G799 L801 V830	K764-Y784 HydrophobicContact CD-CD2 4.36Å; K764-Y784 HydrophobicContact CD-CE2 3.7Å; K764-Y784 PolarHBondContact NZ-OH 2.66Å; M774-Y784 WeakPolarHBondContact O-CA 3.39Å; F775-Y784 HydrophobicContact CD1-CG 4.4Å; F775-Y784 VanDerWaalsContact CE1-CB 3.47Å; F775-Y784 HydrophobicContact CE1-CD1 4.32Å; F775-Y784 HydrophobicContact CE1-CD2 4.5Å; F775-Y784 AromaticContact CE1-CG 3.89Å; F775-Y784 HydrophobicContact CE1-CG 3.89Å; F775-Y784 HydrophobicContact CZ-CD2 4.39Å; F775-Y784 HydrophobicContact CZ-CG 4.21Å; Y784-H798 AromaticContact CE2-CD2 3.49Å; Y784-H798 VanDerWaalsContact CE2-CD2 3.49Å; Y784-H798 WeakPolarHBondContact CE2-CD2 3.42Å; Y784-H798 AromaticContact CZ-CD2 3.9Å; Y784-H798 PolarHBondContact O-N 3.17Å; Y784-G799 WeakPolarHBondContact CD1-O 3.43Å; Y784-G799 PolarHBondContact N-O 2.83Å; Y784-G799 PolarHBondContact O-N 3.12Å; Y784-L801 HydrophobicContact CE1-CG 4.48Å; Y784-V830 HydrophobicContact CE1-CG2 4.36Å
785	T	96.7	Very high	91.7	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.006	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	173.4	-162.7	67.3	0	0	0	0	115.3	R773 M774 F776 F795 K796 H798	R773-T785 WeakPolarHBondContact CD-O 3.4Å; R773-T785 PolarHBondContact NE-O 3.46Å; M774-T785 HydrophobicContact CB-CG2 3.79Å; M774-T785 PolarHBondContact N-OG1 2.96Å; M774-T785 VanDerWaalsContact N-OG1 3.11Å; M774-T785 PolarHBondContact O-N 2.91Å; M774-T785 VanDerWaalsContact O-N 3.14Å; F776-T785 HydrophobicContact CE2-CG2 3.89Å; T785-F795 HydrophobicContact CG2-CB 3.89Å; T785-K796 CarbonylContact C-O 3.47Å; T785-K796 VanDerWaalsContact CA-O 3.24Å; T785-K796 WeakPolarHBondContact CA-O 3.49Å; T785-K796 VanDerWaalsContact CB-O 3.27Å; T785-K796 WeakPolarHBondContact CB-O 3.38Å; T785-H798 VanDerWaalsContact O-CB 3.32Å; T785-H798 WeakPolarHBondContact O-CB 3.28Å
786	S	93.4	Very high	91.6	Very high	23 Å²	23	31.2 Å²	31.2	16%	0.161	17%	0.167	C	C	.	.			trans	-72.5	179	160	-73.5	0	0	0	0	111.6	R773 G788 K796	R773-S786 WeakPolarHBondContact CD-O 3.45Å; R773-S786 VanDerWaalsContact NE-C 3.32Å; R773-S786 PolarHBondContact NE-O 3.31Å; S786-G788 PolarHBondContact O-N 2.84Å; S786-K796 PolarHBondContact N-O 3.37Å
787	R	86.3	Confident	91.4	Very high	129 Å²	129	31.7 Å²	31.7	49%	0.487	17%	0.169	S	C	.	.	S	Bend	trans	-66.7	124.4	173.6	-55.5	-175.7	82.1	131.5	6.5	110.1	Q771	Q771-R787 VanDerWaalsContact CD-NH1 3.34Å; Q771-R787 VanDerWaalsContact OE1-CZ 3.3Å
788	G	82.6	Confident	91.2	Very high	26 Å²	26	35.8 Å²	35.8	27%	0.268	19%	0.189	S	C	.	.	S	Bend	trans	75.3	-153.7	170.4	0	0	0	0	0	114.9	S786	S786-G788 PolarHBondContact O-N 2.84Å
789	M	87.3	Confident	90.8	Very high	59 Å²	59	36.4 Å²	36.4	29%	0.291	20%	0.195	S	C	.	.			trans	-130.2	152.8	-173.1	-64.2	153.9	65.3	0	0	109.1	N793 Q794 F795 W911	M789-N793 WeakPolarHBondContact CE-OD1 3.39Å; M789-Q794 CarbonylContact C-O 3.59Å; M789-Q794 WeakPolarHBondContact CA-O 3.37Å; M789-F795 HydrophobicContact CE-CZ 4.35Å; M789-F795 HydrophobicContact CG-CD1 3.91Å; M789-F795 HydrophobicContact CG-CE1 3.37Å; M789-F795 HydrophobicContact CG-CE2 4.28Å; M789-F795 HydrophobicContact CG-CZ 3.58Å; M789-F795 HydrophobicContact SD-CE1 4.2Å; M789-F795 HydrophobicContact SD-CZ 4Å; M789-W911 HydrophobicContact SD-CG 4.29Å; M789-W911 PolarHBondContact SD-NE1 2.85Å
790	T	86.6	Confident	90.7	Very high	37 Å²	37	37.2 Å²	37.2	23%	0.227	20%	0.197	C	C	.	.			trans	-74.4	162.8	174.9	61.4	0	0	0	0	112	L744 T792 N793 Q794	L744-T790 HydrophobicContact CD1-CG2 3.74Å; T790-T792 PolarHBondContact O-N 3.31Å; T790-T792 VanDerWaalsContact O-N 3.1Å; T790-T792 PolarHBondContact OG1-OG1 3.06Å; T790-N793 PolarHBondContact O-N 3.34Å; T790-Q794 PolarHBondContact N-O 2.92Å; T790-Q794 WeakPolarHBondContact OG1-CB 3.23Å; T790-Q794 PolarHBondContact OG1-N 3.04Å; T790-Q794 VanDerWaalsContact OG1-N 3.13Å; T790-Q794 PolarHBondContact OG1-O 3.15Å
791	P	81.4	Confident	90.8	Very high	129 Å²	129	36.3 Å²	36.3	84%	0.838	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-22.2	170.6	-25.7	35.7	0	0	0	114.4	N793	P791-N793 VanDerWaalsContact C-N 3.29Å; P791-N793 PolarHBondContact O-N 3.36Å
792	T	80.5	Confident	90.8	Very high	40 Å²	40	38.6 Å²	38.6	25%	0.245	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	3.5	177.5	54.3	0	0	0	0	114.5	T790 Q794 A899	T790-T792 PolarHBondContact O-N 3.31Å; T790-T792 VanDerWaalsContact O-N 3.1Å; T790-T792 PolarHBondContact OG1-OG1 3.06Å; T792-Q794 PolarHBondContact OG1-OE1 2.85Å; T792-A899 HydrophobicContact CG2-CB 4.27Å
793	N	86.4	Confident	90.6	Very high	11 Å²	11	38.5 Å²	38.5	6%	0.059	21%	0.207	C	C	.	.	S	Bend	trans	63.8	49.9	-174.6	-148.5	34.4	0	0	0	111.8	M789 T790 P791 R902 N904 H908	M789-N793 WeakPolarHBondContact CE-OD1 3.39Å; T790-N793 PolarHBondContact O-N 3.34Å; P791-N793 VanDerWaalsContact C-N 3.29Å; P791-N793 PolarHBondContact O-N 3.36Å; N793-R902 PolarHBondContact ND2-O 3.39Å; N793-N904 PolarHBondContact ND2-OD1 2.73Å; N793-H908 VanDerWaalsContact CG-NE2 3.32Å; N793-H908 PolarHBondContact ND2-NE2 3.12Å; N793-H908 PolarHBondContact O-NE2 3.21Å; N793-H908 VanDerWaalsContact O-NE2 3.13Å; N793-H908 PolarHBondContact OD1-CD2 3.11Å; N793-H908 PolarHBondContact OD1-NE2 3.29Å
794	Q	91.9	Very high	90.3	Very high	23 Å²	23	44.6 Å²	44.6	11%	0.107	23%	0.23	C	C	.	.			trans	-136.5	169	178.1	-63.8	173.4	-81	0	0	111	K741 D742 L744 M789 T790 T792	K741-Q794 PolarHBondContact O-NE2 2.71Å; D742-Q794 WeakPolarHBondContact O-CA 3.5Å; D742-Q794 WeakPolarHBondContact O-CB 3.24Å; L744-Q794 HydrophobicContact CD1-CB 3.77Å; L744-Q794 HydrophobicContact CD1-CG 4.48Å; L744-Q794 HydrophobicContact CG-CB 4.02Å; M789-Q794 CarbonylContact C-O 3.59Å; M789-Q794 WeakPolarHBondContact CA-O 3.37Å; T790-Q794 PolarHBondContact N-O 2.92Å; T790-Q794 WeakPolarHBondContact OG1-CB 3.23Å; T790-Q794 PolarHBondContact OG1-N 3.04Å; T790-Q794 VanDerWaalsContact OG1-N 3.13Å; T790-Q794 PolarHBondContact OG1-O 3.15Å; T792-Q794 PolarHBondContact OG1-OE1 2.85Å
795	F	93.9	Very high	89.9	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	115.8	-178.4	-62.8	-96	0	0	0	111.8	D742 L743 L744 M774 T785 M789 V797 V907 W911	D742-F795 PolarHBondContact O-N 3.16Å; L743-F795 WeakPolarHBondContact CA-O 3.48Å; L743-F795 HydrophobicContact CD2-CB 4.11Å; L744-F795 PolarHBondContact N-O 2.97Å; M774-F795 HydrophobicContact CB-CD1 4.42Å; M774-F795 HydrophobicContact CG-CD1 3.82Å; M774-F795 HydrophobicContact CG-CE1 3.59Å; M774-F795 HydrophobicContact CG-CZ 4.18Å; T785-F795 HydrophobicContact CG2-CB 3.89Å; M789-F795 HydrophobicContact CE-CZ 4.35Å; M789-F795 HydrophobicContact CG-CD1 3.91Å; M789-F795 HydrophobicContact CG-CE1 3.37Å; M789-F795 HydrophobicContact CG-CE2 4.28Å; M789-F795 HydrophobicContact CG-CZ 3.58Å; M789-F795 HydrophobicContact SD-CE1 4.2Å; M789-F795 HydrophobicContact SD-CZ 4Å; F795-V797 PolarHBondContact O-N 3.3Å; F795-V907 HydrophobicContact CD2-CG1 3.83Å; F795-V907 HydrophobicContact CE2-CB 4.36Å; F795-V907 HydrophobicContact CE2-CG1 3.53Å; F795-V907 HydrophobicContact CZ-CG1 4.09Å; F795-W911 HydrophobicContact CE1-CB 4.15Å; F795-W911 AromaticContact CE1-CD2 3.91Å; F795-W911 HydrophobicContact CE1-CD2 3.91Å; F795-W911 HydrophobicContact CE1-CE3 4.16Å; F795-W911 AromaticContact CE1-CG 3.9Å; F795-W911 HydrophobicContact CE1-CG 3.9Å; F795-W911 HydrophobicContact CZ-CB 3.93Å; F795-W911 HydrophobicContact CZ-CG 4.02Å
796	K	95.1	Very high	89.8	Confident	124 Å²	124	46.9 Å²	46.9	54%	0.539	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	125.4	172.3	-173	-179.5	-179.6	-177.2	0	110	L744 T785 S786	L744-K796 CarbonylContact O-C 3.59Å; L744-K796 WeakPolarHBondContact O-CA 3.42Å; T785-K796 CarbonylContact C-O 3.47Å; T785-K796 VanDerWaalsContact CA-O 3.24Å; T785-K796 WeakPolarHBondContact CA-O 3.49Å; T785-K796 VanDerWaalsContact CB-O 3.27Å; T785-K796 WeakPolarHBondContact CB-O 3.38Å; S786-K796 PolarHBondContact N-O 3.37Å
797	V	95.1	Very high	89.8	Confident	9 Å²	9	49.8 Å²	49.8	6%	0.055	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	140.2	170.9	-178.9	0	0	0	0	109.3	L743 L744 V746 L783 F795	L743-V797 HydrophobicContact CB-CG2 4.38Å; L743-V797 HydrophobicContact CD1-CG2 4.29Å; L743-V797 HydrophobicContact CD2-CG2 4.13Å; L744-V797 PolarHBondContact O-N 2.89Å; V746-V797 HydrophobicContact CB-CG2 4.34Å; V746-V797 HydrophobicContact CG2-CB 3.84Å; V746-V797 HydrophobicContact CG2-CG1 3.78Å; V746-V797 HydrophobicContact CG2-CG2 3.76Å; L783-V797 HydrophobicContact CB-CG1 4.48Å; F795-V797 PolarHBondContact O-N 3.3Å
798	H	92.8	Very high	90.3	Very high	87 Å²	87	44.9 Å²	44.9	40%	0.403	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	-30.4	-178.1	171.4	93.2	0	0	0	112.2	Y784 T785	Y784-H798 AromaticContact CE2-CD2 3.49Å; Y784-H798 VanDerWaalsContact CE2-CD2 3.49Å; Y784-H798 WeakPolarHBondContact CE2-CD2 3.42Å; Y784-H798 AromaticContact CZ-CD2 3.9Å; Y784-H798 PolarHBondContact O-N 3.17Å; T785-H798 VanDerWaalsContact O-CB 3.32Å; T785-H798 WeakPolarHBondContact O-CB 3.28Å
799	G	90.3	Very high	90.8	Very high	12 Å²	12	48.6 Å²	48.6	12%	0.124	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	165.1	179.3	0	0	0	0	0	113.3	Y784	Y784-G799 WeakPolarHBondContact CD1-O 3.43Å; Y784-G799 PolarHBondContact N-O 2.83Å; Y784-G799 PolarHBondContact O-N 3.12Å
800	Q	91.8	Very high	91.2	Very high	42 Å²	42	51.6 Å²	51.6	20%	0.196	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	145.3	-178.5	63.3	-171.2	-5.9	0	0	111	V781 I782 L783 Q828 L865	V781-Q800 HydrophobicContact CG2-CB 3.93Å; I782-Q800 CarbonylContact O-C 3.53Å; I782-Q800 WeakPolarHBondContact O-CA 3.47Å; L783-Q800 HydrophobicContact CD2-CB 3.59Å; Q800-Q828 PolarHBondContact O-NE2 3.49Å; Q800-L865 PolarHBondContact NE2-O 3.07Å
801	L	93.3	Very high	91.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	102	179.7	-63.5	167.8	0	0	0	108.6	I782 Y784 M806 L823 Q828 V830	I782-L801 HydrophobicContact CB-CB 4.25Å; I782-L801 PolarHBondContact N-O 2.89Å; I782-L801 PolarHBondContact O-N 3.13Å; Y784-L801 HydrophobicContact CE1-CG 4.48Å; L801-M806 HydrophobicContact CB-CE 4.3Å; L801-M806 HydrophobicContact CD1-CE 4.12Å; L801-L823 HydrophobicContact CD1-CB 4.2Å; L801-L823 HydrophobicContact CD1-CD1 4.03Å; L801-Q828 HydrophobicContact CD2-CG 3.69Å; L801-V830 HydrophobicContact CD1-CB 4.36Å; L801-V830 HydrophobicContact CD1-CG2 4.05Å; L801-V830 HydrophobicContact CD2-CG2 4.16Å
802	P	92.8	Very high	91.8	Very high	48 Å²	48	48 Å²	48	31%	0.312	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	135.7	174.1	-22	33.9	0	0	0	111
803	L	92.9	Very high	92	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	-74.7	-24.7	-176.3	-64.6	-175.6	0	0	0	113.6	L777 F778 D780 I782 G805 M806 A850 I851 A854	L777-L803 HydrophobicContact CD1-CD1 4.01Å; L777-L803 HydrophobicContact CD1-CD2 4.12Å; F778-L803 WeakPolarHBondContact O-CD1 3.38Å; D780-L803 PolarHBondContact O-N 3.16Å; I782-L803 HydrophobicContact CD1-CD2 3.68Å; I782-L803 HydrophobicContact CG1-CD2 3.84Å; L803-G805 PolarHBondContact O-N 3Å; L803-M806 HydrophobicContact CD2-SD 3.63Å; L803-M806 WeakPolarHBondContact O-CB 3.4Å; L803-M806 PolarHBondContact O-N 2.65Å; L803-A850 HydrophobicContact CD1-CB 3.51Å; L803-I851 HydrophobicContact CB-CG1 4.2Å; L803-I851 HydrophobicContact CD2-CG1 4Å; L803-A854 HydrophobicContact CB-CB 4Å
804	R	89.3	Confident	92.1	Very high	127 Å²	127	59.5 Å²	59.5	48%	0.479	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	117.6	-179.1	178	162.2	-73.2	-148.5	-3.7	110.6	M806 Q826 A854 S857	R804-M806 PolarHBondContact O-N 2.97Å; R804-Q826 PolarHBondContact O-NE2 3.28Å; R804-A854 PolarHBondContact NE-O 2.97Å; R804-A854 PolarHBondContact NH2-O 3.34Å; R804-S857 PolarHBondContact NH2-O 2.96Å
805	G	87.1	Confident	91.9	Very high	53 Å²	53	64.2 Å²	64.2	55%	0.546	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	8.5	-176.1	0	0	0	0	0	114.3	L803	L803-G805 PolarHBondContact O-N 3Å
806	M	94.4	Very high	91.6	Very high	5 Å²	5	67.3 Å²	67.3	3%	0.025	34%	0.344	C	S	.	.			trans	-74.9	148.7	173.6	-168.8	-180	-173.1	0	0	111.1	I782 L801 L803 R804 L823 V824 I851	I782-M806 HydrophobicContact CD1-CE 3.94Å; I782-M806 HydrophobicContact CD1-SD 4.06Å; L801-M806 HydrophobicContact CB-CE 4.3Å; L801-M806 HydrophobicContact CD1-CE 4.12Å; L803-M806 HydrophobicContact CD2-SD 3.63Å; L803-M806 WeakPolarHBondContact O-CB 3.4Å; L803-M806 PolarHBondContact O-N 2.65Å; R804-M806 PolarHBondContact O-N 2.97Å; M806-L823 HydrophobicContact CE-CB 3.49Å; M806-L823 VanDerWaalsContact CE-CB 3.49Å; M806-L823 HydrophobicContact CE-CD1 4.34Å; M806-L823 HydrophobicContact CE-CD2 3.68Å; M806-L823 HydrophobicContact CE-CG 4.01Å; M806-V824 CarbonylContact C-O 3.45Å; M806-V824 WeakPolarHBondContact CA-O 3.27Å; M806-V824 WeakPolarHBondContact CG-O 3.18Å; M806-I851 HydrophobicContact CB-CD1 3.94Å; M806-I851 HydrophobicContact CB-CG1 4.23Å; M806-I851 HydrophobicContact CG-CD1 3.97Å; M806-I851 HydrophobicContact SD-CD1 4.05Å
807	T	94.2	Very high	91.4	Very high	84 Å²	84	62.4 Å²	62.4	52%	0.515	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	156.2	167.4	60.8	0	0	0	0	111	V824	T807-V824 PolarHBondContact N-O 3.25Å; T807-V824 PolarHBondContact O-N 3.23Å
808	I	95.8	Very high	91.3	Very high	26 Å²	26	65.7 Å²	65.7	13%	0.133	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	131.3	-177.6	-177.6	172.4	0	0	0	109.6	F821 T822 L823 M844 I847 K848 I851	I808-F821 HydrophobicContact CD1-CD2 3.73Å; I808-F821 HydrophobicContact CD1-CE2 4.04Å; I808-F821 HydrophobicContact CG1-CD2 4.1Å; I808-T822 WeakPolarHBondContact CA-O 3.39Å; I808-L823 HydrophobicContact CB-CD2 4.39Å; I808-L823 HydrophobicContact CD1-CD2 3.67Å; I808-L823 HydrophobicContact CG1-CD2 3.91Å; I808-M844 HydrophobicContact CD1-CB 4.31Å; I808-M844 HydrophobicContact CD1-CE 4.21Å; I808-M844 HydrophobicContact CD1-CG 3.96Å; I808-M844 HydrophobicContact CG1-CE 3.93Å; I808-I847 HydrophobicContact CD1-CB 3.96Å; I808-I847 HydrophobicContact CD1-CD1 4.08Å; I808-I847 HydrophobicContact CD1-CG2 3.81Å; I808-I847 HydrophobicContact CG2-CG2 4.44Å; I808-K848 HydrophobicContact CG2-CG 3.62Å; I808-I851 HydrophobicContact CG2-CD1 4.27Å
809	R	94.4	Very high	91.4	Very high	105 Å²	105	64.1 Å²	64.1	40%	0.396	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	147.7	-178.3	61.6	-176	-174.4	78.9	-5.5	111.4	E814 F821 T822	R809-E814 IonicContact CZ-OE1 2.71Å; R809-E814 IonicContact CZ-OE2 2.99Å; R809-E814 VanDerWaalsContact CZ-OE2 3.26Å; R809-E814 IonicContact NH1-OE1 2.71Å; R809-E814 IonicContact NH1-OE2 3.69Å; R809-E814 PolarHBondContact NH1-OE2 2.96Å; R809-E814 VanDerWaalsContact NH2-CD 3.28Å; R809-E814 IonicContact NH2-OE1 3.08Å; R809-E814 PolarHBondContact NH2-OE1 3.2Å; R809-E814 IonicContact NH2-OE2 3.66Å; R809-E814 PolarHBondContact NH2-OE2 3.01Å; R809-F821 CarbonylContact O-C 3.34Å; R809-F821 VanDerWaalsContact O-CA 3.32Å; R809-F821 WeakPolarHBondContact O-CA 3.32Å; R809-F821 WeakPolarHBondContact O-CB 3.39Å; R809-T822 PolarHBondContact N-O 2.99Å; R809-T822 PolarHBondContact O-N 3.01Å
810	E	95	Very high	91.7	Very high	122 Å²	122	63.6 Å²	63.6	57%	0.57	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66	147.1	168.6	-75.8	151.7	-118	0	0	109.7	M840 M844	E810-M840 HydrophobicContact CG-CE 4Å; E810-M844 HydrophobicContact CG-CE 3.64Å; E810-M844 HydrophobicContact CG-SD 3.62Å
811	S	91.9	Very high	92	Very high	6 Å²	6	61.6 Å²	61.6	4%	0.042	32%	0.324	C	S	.	.			trans	-154.4	27	-172.2	63.5	0	0	0	0	113.1	E814 W815 A820 F821 T822	S811-E814 VanDerWaalsContact CB-OE2 3.27Å; S811-E814 WeakPolarHBondContact CB-OE2 3.39Å; S811-W815 PolarHBondContact O-N 3.49Å; S811-A820 CarbonylContact C-O 3.58Å; S811-A820 PolarHBondContact N-O 3.17Å; S811-A820 PolarHBondContact OG-O 3.33Å; S811-F821 VanDerWaalsContact OG-C 3.27Å; S811-F821 VanDerWaalsContact OG-CA 3.31Å; S811-F821 WeakPolarHBondContact OG-CA 3.33Å; S811-T822 VanDerWaalsContact CB-OG1 3.27Å; S811-T822 WeakPolarHBondContact CB-OG1 3.16Å; S811-T822 PolarHBondContact OG-N 3.34Å; S811-T822 PolarHBondContact OG-OG1 3.34Å
812	E	88.9	Confident	92.1	Very high	83 Å²	83	61.7 Å²	61.7	39%	0.388	33%	0.325	S	S	.	.	H	α-helix	trans	-61.7	-44.8	175.4	172.5	159.1	170.7	0	0	111.5	G816 V817 H819 A820	E812-G816 VanDerWaalsContact O-CA 3.29Å; E812-G816 WeakPolarHBondContact O-CA 3.15Å; E812-G816 PolarHBondContact O-N 2.7Å; E812-V817 WeakPolarHBondContact CA-O 3.42Å; E812-V817 WeakPolarHBondContact CG-O 3.3Å; E812-V817 PolarHBondContact O-N 3.2Å; E812-H819 PolarHBondContact OE2-N 3.1Å; E812-H819 IonicContact OE2-ND1 3.39Å; E812-A820 PolarHBondContact N-O 3.43Å
813	E	84.3	Confident	92.3	Very high	195 Å²	195	59.5 Å²	59.5	91%	0.911	31%	0.31	S	S	*	.	H	α-helix	trans	-68.5	-37.4	177.8	-60	-173.1	157.7	0	0	113.2
814	E	88.3	Confident	92.4	Very high	98 Å²	98	61.6 Å²	61.6	46%	0.458	32%	0.323	S	S	.	.	H	α-helix	trans	-66.8	-40.7	-177	-179.2	-174.5	-147.9	0	0	112.5	R809 S811	R809-E814 IonicContact CZ-OE1 2.71Å; R809-E814 IonicContact CZ-OE2 2.99Å; R809-E814 VanDerWaalsContact CZ-OE2 3.26Å; R809-E814 IonicContact NH1-OE1 2.71Å; R809-E814 IonicContact NH1-OE2 3.69Å; R809-E814 PolarHBondContact NH1-OE2 2.96Å; R809-E814 VanDerWaalsContact NH2-CD 3.28Å; R809-E814 IonicContact NH2-OE1 3.08Å; R809-E814 PolarHBondContact NH2-OE1 3.2Å; R809-E814 IonicContact NH2-OE2 3.66Å; R809-E814 PolarHBondContact NH2-OE2 3.01Å; S811-E814 VanDerWaalsContact CB-OE2 3.27Å; S811-E814 WeakPolarHBondContact CB-OE2 3.39Å
815	W	88	Confident	92.4	Very high	123 Å²	123	56.1 Å²	56.1	47%	0.466	31%	0.306	S	S	.	.	H	α-helix	trans	-104.9	-7	-176.3	-59.8	95.1	0	0	0	113.6	L765 S811 V817 V831	L765-W815 HydrophobicContact CD2-CB 4.19Å; L765-W815 HydrophobicContact CD2-CD2 3.95Å; L765-W815 HydrophobicContact CD2-CE3 3.73Å; L765-W815 HydrophobicContact CD2-CG 4.12Å; S811-W815 PolarHBondContact O-N 3.49Å; W815-V817 HydrophobicContact CB-CB 4.48Å; W815-V817 HydrophobicContact CB-CG2 4.17Å; W815-V817 PolarHBondContact O-N 2.87Å; W815-V831 HydrophobicContact CD2-CG1 4.4Å; W815-V831 HydrophobicContact CD2-CG2 4.26Å; W815-V831 HydrophobicContact CG-CG1 4.01Å; W815-V831 HydrophobicContact CZ2-CG2 3.86Å
816	G	87.9	Confident	92	Very high	65 Å²	65	61.3 Å²	61.3	67%	0.67	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	25.3	-173.9	0	0	0	0	0	113.5	E812	E812-G816 VanDerWaalsContact O-CA 3.29Å; E812-G816 WeakPolarHBondContact O-CA 3.15Å; E812-G816 PolarHBondContact O-N 2.7Å
817	V	91.1	Very high	91.2	Very high	20 Å²	20	64.9 Å²	64.9	12%	0.121	35%	0.354	C	S	.	.			trans	-113.3	118.3	-175.2	177	0	0	0	0	110.1	L770 E812 W815 H819 A820 A833	L770-V817 HydrophobicContact CD1-CG1 3.88Å; L770-V817 HydrophobicContact CD2-CG1 4.16Å; L770-V817 HydrophobicContact CG-CG1 4.49Å; E812-V817 WeakPolarHBondContact CA-O 3.42Å; E812-V817 WeakPolarHBondContact CG-O 3.3Å; E812-V817 PolarHBondContact O-N 3.2Å; W815-V817 HydrophobicContact CB-CB 4.48Å; W815-V817 HydrophobicContact CB-CG2 4.17Å; W815-V817 PolarHBondContact O-N 2.87Å; V817-H819 PolarHBondContact O-N 2.86Å; V817-A820 HydrophobicContact CB-CB 3.86Å; V817-A820 HydrophobicContact CG1-CB 3.95Å; V817-A820 WeakPolarHBondContact O-CB 3.37Å; V817-A820 PolarHBondContact O-N 2.83Å; V817-A833 HydrophobicContact CG1-CB 3.66Å
818	P	92.1	Very high	90.8	Very high	78 Å²	78	64.8 Å²	64.8	51%	0.506	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	135.3	176.6	-28.1	36.2	0	0	0	113.4	A820	P818-A820 VanDerWaalsContact C-N 3.26Å; P818-A820 PolarHBondContact O-N 3.47Å
819	H	96	Very high	90.6	Very high	54 Å²	54	67.5 Å²	67.5	25%	0.25	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	35.6	177.3	-43.2	-32.2	0	0	0	113.3	E812 V817 A833 A834 S836 L837 M840	E812-H819 PolarHBondContact OE2-N 3.1Å; E812-H819 IonicContact OE2-ND1 3.39Å; V817-H819 PolarHBondContact O-N 2.86Å; H819-A833 WeakPolarHBondContact O-CA 3.49Å; H819-A834 HydrophobicContact CB-CB 4.33Å; H819-A834 PolarHBondContact O-N 3.48Å; H819-S836 VanDerWaalsContact CD2-CA 3.44Å; H819-S836 WeakPolarHBondContact CD2-CA 3.23Å; H819-L837 PolarHBondContact CD2-N 3.32Å; H819-L837 VanDerWaalsContact CD2-N 3.28Å; H819-L837 PolarHBondContact NE2-N 3.29Å; H819-M840 HydrophobicContact CB-CB 4.33Å; H819-M840 HydrophobicContact CB-SD 4.19Å
820	A	96.4	Very high	90.6	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.008	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	138.2	178.8	0	0	0	0	0	113.4	S811 E812 V817 P818 V832 A833	S811-A820 CarbonylContact C-O 3.58Å; S811-A820 PolarHBondContact N-O 3.17Å; S811-A820 PolarHBondContact OG-O 3.33Å; E812-A820 PolarHBondContact N-O 3.43Å; V817-A820 HydrophobicContact CB-CB 3.86Å; V817-A820 HydrophobicContact CG1-CB 3.95Å; V817-A820 WeakPolarHBondContact O-CB 3.37Å; V817-A820 PolarHBondContact O-N 2.83Å; P818-A820 VanDerWaalsContact C-N 3.26Å; P818-A820 PolarHBondContact O-N 3.47Å; A820-V832 CarbonylContact C-O 3.49Å; A820-V832 VanDerWaalsContact CA-O 3.25Å; A820-V832 WeakPolarHBondContact CA-O 3.18Å; A820-A833 HydrophobicContact CB-CB 4.34Å
821	F	97.6	Very high	90.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	150.1	172.4	57.3	-79.2	0	0	0	110.4	L762 I808 R809 S811 L823 V832 M840 W843 M844 I847	L762-F821 HydrophobicContact CD1-CZ 3.87Å; L762-F821 HydrophobicContact CD2-CZ 4.48Å; I808-F821 HydrophobicContact CD1-CD2 3.73Å; I808-F821 HydrophobicContact CD1-CE2 4.04Å; I808-F821 HydrophobicContact CG1-CD2 4.1Å; R809-F821 CarbonylContact O-C 3.34Å; R809-F821 VanDerWaalsContact O-CA 3.32Å; R809-F821 WeakPolarHBondContact O-CA 3.32Å; R809-F821 WeakPolarHBondContact O-CB 3.39Å; S811-F821 VanDerWaalsContact OG-C 3.27Å; S811-F821 VanDerWaalsContact OG-CA 3.31Å; S811-F821 WeakPolarHBondContact OG-CA 3.33Å; F821-L823 HydrophobicContact CD2-CD2 4.03Å; F821-L823 HydrophobicContact CD2-CG 4.38Å; F821-L823 HydrophobicContact CE2-CD2 4Å; F821-L823 HydrophobicContact CE2-CG 4.38Å; F821-V832 HydrophobicContact CD1-CG2 4.05Å; F821-V832 HydrophobicContact CD2-CG2 3.59Å; F821-V832 HydrophobicContact CE1-CG2 3.82Å; F821-V832 HydrophobicContact CE2-CG2 3.35Å; F821-V832 HydrophobicContact CG-CG2 3.96Å; F821-V832 HydrophobicContact CZ-CG2 3.48Å; F821-V832 VanDerWaalsContact CZ-CG2 3.48Å; F821-V832 PolarHBondContact N-O 3.43Å; F821-V832 WeakPolarHBondContact O-CG2 3.36Å; F821-V832 PolarHBondContact O-N 3.2Å; F821-V832 VanDerWaalsContact O-O 3.13Å; F821-M840 HydrophobicContact CD1-CG 3.64Å; F821-M840 HydrophobicContact CD1-SD 4.21Å; F821-M840 HydrophobicContact CE1-CG 3.98Å; F821-W843 HydrophobicContact CE1-CB 4.47Å; F821-W843 HydrophobicContact CE2-CB 4.47Å; F821-W843 HydrophobicContact CZ-CB 3.76Å; F821-W843 HydrophobicContact CZ-CG 4.46Å; F821-M844 HydrophobicContact CB-CE 4.11Å; F821-M844 HydrophobicContact CB-CG 4.28Å; F821-M844 HydrophobicContact CB-SD 3.78Å; F821-M844 HydrophobicContact CD1-CG 4.19Å; F821-M844 HydrophobicContact CD1-SD 4.39Å; F821-M844 HydrophobicContact CD2-CG 4Å; F821-M844 HydrophobicContact CE1-CG 4.48Å; F821-M844 HydrophobicContact CE2-CG 4.29Å; F821-M844 HydrophobicContact CG-CG 3.92Å; F821-M844 HydrophobicContact CG-SD 4.05Å; F821-I847 HydrophobicContact CE2-CD1 4.18Å
822	T	96.8	Very high	91	Very high	3 Å²	3	57.3 Å²	57.3	2%	0.018	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	124.9	-178.8	-59.6	0	0	0	0	110.1	I808 R809 S811 V824 V831	I808-T822 WeakPolarHBondContact CA-O 3.39Å; R809-T822 PolarHBondContact N-O 2.99Å; R809-T822 PolarHBondContact O-N 3.01Å; S811-T822 VanDerWaalsContact CB-OG1 3.27Å; S811-T822 WeakPolarHBondContact CB-OG1 3.16Å; S811-T822 PolarHBondContact OG-N 3.34Å; S811-T822 PolarHBondContact OG-OG1 3.34Å; T822-V824 HydrophobicContact CG2-CG2 3.76Å; T822-V831 HydrophobicContact CG2-CG2 4.14Å
823	L	96.7	Very high	91.4	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	115.3	173	-62.6	178.2	0	0	0	108.5	L801 M806 I808 F821 S829 V830 V832 I847	L801-L823 HydrophobicContact CD1-CB 4.2Å; L801-L823 HydrophobicContact CD1-CD1 4.03Å; M806-L823 HydrophobicContact CE-CB 3.49Å; M806-L823 VanDerWaalsContact CE-CB 3.49Å; M806-L823 HydrophobicContact CE-CD1 4.34Å; M806-L823 HydrophobicContact CE-CD2 3.68Å; M806-L823 HydrophobicContact CE-CG 4.01Å; I808-L823 HydrophobicContact CB-CD2 4.39Å; I808-L823 HydrophobicContact CD1-CD2 3.67Å; I808-L823 HydrophobicContact CG1-CD2 3.91Å; F821-L823 HydrophobicContact CD2-CD2 4.03Å; F821-L823 HydrophobicContact CD2-CG 4.38Å; F821-L823 HydrophobicContact CE2-CD2 4Å; F821-L823 HydrophobicContact CE2-CG 4.38Å; L823-S829 CarbonylContact O-C 3.5Å; L823-S829 VanDerWaalsContact O-CA 3.26Å; L823-S829 WeakPolarHBondContact O-CA 3.37Å; L823-V830 HydrophobicContact CB-CB 4.43Å; L823-V830 WeakPolarHBondContact CB-O 3.46Å; L823-V830 PolarHBondContact N-O 3.38Å; L823-V830 PolarHBondContact O-N 2.9Å; L823-V832 HydrophobicContact CD1-CG1 4.37Å; L823-V832 HydrophobicContact CD1-CG2 4.11Å; L823-V832 HydrophobicContact CG-CG2 4.21Å; L823-I847 HydrophobicContact CD2-CD1 3.91Å; L823-I847 HydrophobicContact CD2-CG2 4.45Å
824	V	94.9	Very high	92	Very high	45 Å²	45	44.8 Å²	44.8	27%	0.273	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	107.6	-177	-174.4	0	0	0	0	109.6	M806 T807 T822	M806-V824 CarbonylContact C-O 3.45Å; M806-V824 WeakPolarHBondContact CA-O 3.27Å; M806-V824 WeakPolarHBondContact CG-O 3.18Å; T807-V824 PolarHBondContact N-O 3.25Å; T807-V824 PolarHBondContact O-N 3.23Å; T822-V824 HydrophobicContact CG2-CG2 3.76Å
825	G	87.9	Confident	92.2	Very high	12 Å²	12	43.4 Å²	43.4	12%	0.124	27%	0.271	C	S	.	.			trans	-96.3	179.2	171.1	0	0	0	0	0	112.3	G827 Q828	G825-G827 PolarHBondContact O-N 3.06Å; G825-Q828 PolarHBondContact N-O 2.89Å
826	Q	79.9	Confident	92.4	Very high	162 Å²	162	39.7 Å²	39.7	76%	0.757	26%	0.264	S	S	*	.	S	Bend	trans	-65.6	-10.5	-171.9	-57.7	-172.8	22.7	0	0	115.8	R804	R804-Q826 PolarHBondContact O-NE2 3.28Å
827	G	76.9	Confident	92.7	Very high	79 Å²	79	40.4 Å²	40.4	81%	0.814	25%	0.252	S	S	*	.	S	Bend	trans	-156.3	10.1	178.4	0	0	0	0	0	115	G825	G825-G827 PolarHBondContact O-N 3.06Å
828	Q	87	Confident	92.7	Very high	83 Å²	83	42.3 Å²	42.3	39%	0.388	26%	0.264	S	S	.	.			trans	-153.5	145.3	179.3	48.4	170.7	-42.1	0	0	109.7	Q800 L801 G825	Q800-Q828 PolarHBondContact O-NE2 3.49Å; L801-Q828 HydrophobicContact CD2-CG 3.69Å; G825-Q828 PolarHBondContact N-O 2.89Å
829	S	90.8	Very high	92.9	Very high	82 Å²	82	39 Å²	39	57%	0.573	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-123.2	141.9	172.1	61.5	0	0	0	0	110.6	L823	L823-S829 CarbonylContact O-C 3.5Å; L823-S829 VanDerWaalsContact O-CA 3.26Å; L823-S829 WeakPolarHBondContact O-CA 3.37Å
830	V	95.1	Very high	92.9	Very high	4 Å²	4	37 Å²	37	2%	0.024	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	111.5	-178	-172.5	0	0	0	0	108.6	K764 Y784 L801 L823 V832	K764-V830 HydrophobicContact CD-CG1 3.83Å; K764-V830 HydrophobicContact CG-CG1 3.88Å; Y784-V830 HydrophobicContact CE1-CG2 4.36Å; L801-V830 HydrophobicContact CD1-CB 4.36Å; L801-V830 HydrophobicContact CD1-CG2 4.05Å; L801-V830 HydrophobicContact CD2-CG2 4.16Å; L823-V830 HydrophobicContact CB-CB 4.43Å; L823-V830 WeakPolarHBondContact CB-O 3.46Å; L823-V830 PolarHBondContact N-O 3.38Å; L823-V830 PolarHBondContact O-N 2.9Å; V830-V832 HydrophobicContact CG1-CG1 3.94Å
831	V	96.4	Very high	92.8	Very high	15 Å²	15	41.7 Å²	41.7	9%	0.091	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	128.5	172.7	-174.9	0	0	0	0	108.4	L765 W815 T822	L765-V831 HydrophobicContact CB-CB 4.03Å; L765-V831 HydrophobicContact CB-CG1 4.17Å; L765-V831 HydrophobicContact CD2-CB 4.24Å; L765-V831 HydrophobicContact CD2-CG1 3.96Å; L765-V831 PolarHBondContact N-O 3.1Å; W815-V831 HydrophobicContact CD2-CG1 4.4Å; W815-V831 HydrophobicContact CD2-CG2 4.26Å; W815-V831 HydrophobicContact CG-CG1 4.01Å; W815-V831 HydrophobicContact CZ2-CG2 3.86Å; T822-V831 HydrophobicContact CG2-CG2 4.14Å
832	V	97.4	Very high	92.7	Very high	0 Å²	0	43 Å²	43	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	145	-178.3	-66.5	0	0	0	0	110.9	L762 S763 F775 A820 F821 L823 V830	L762-V832 HydrophobicContact CB-CB 4.47Å; L762-V832 HydrophobicContact CD1-CB 4.39Å; L762-V832 HydrophobicContact CD1-CG2 4.27Å; S763-V832 CarbonylContact O-C 3.49Å; S763-V832 WeakPolarHBondContact O-CA 3.32Å; F775-V832 HydrophobicContact CE1-CG1 3.98Å; F775-V832 HydrophobicContact CE2-CG1 4.11Å; F775-V832 HydrophobicContact CZ-CG1 3.43Å; F775-V832 VanDerWaalsContact CZ-CG1 3.43Å; A820-V832 CarbonylContact C-O 3.49Å; A820-V832 VanDerWaalsContact CA-O 3.25Å; A820-V832 WeakPolarHBondContact CA-O 3.18Å; F821-V832 HydrophobicContact CD1-CG2 4.05Å; F821-V832 HydrophobicContact CD2-CG2 3.59Å; F821-V832 HydrophobicContact CE1-CG2 3.82Å; F821-V832 HydrophobicContact CE2-CG2 3.35Å; F821-V832 HydrophobicContact CG-CG2 3.96Å; F821-V832 HydrophobicContact CZ-CG2 3.48Å; F821-V832 VanDerWaalsContact CZ-CG2 3.48Å; F821-V832 PolarHBondContact N-O 3.43Å; F821-V832 WeakPolarHBondContact O-CG2 3.36Å; F821-V832 PolarHBondContact O-N 3.2Å; F821-V832 VanDerWaalsContact O-O 3.13Å; L823-V832 HydrophobicContact CD1-CG1 4.37Å; L823-V832 HydrophobicContact CD1-CG2 4.11Å; L823-V832 HydrophobicContact CG-CG2 4.21Å; V830-V832 HydrophobicContact CG1-CG1 3.94Å
833	A	97.1	Very high	92.7	Very high	5 Å²	5	43 Å²	43	4%	0.041	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	136.1	173.7	0	0	0	0	0	111.4	S763 L770 V817 H819 A820	S763-A833 PolarHBondContact N-O 3.28Å; S763-A833 PolarHBondContact O-N 2.84Å; L770-A833 HydrophobicContact CD2-CB 4.08Å; V817-A833 HydrophobicContact CG1-CB 3.66Å; H819-A833 WeakPolarHBondContact O-CA 3.49Å; A820-A833 HydrophobicContact CB-CB 4.34Å
834	A	96.8	Very high	92.7	Very high	10 Å²	10	43.3 Å²	43.3	8%	0.083	26%	0.261	C	S	.	.			trans	-84.3	163.7	175.4	0	0	0	0	0	112.2	L762 H819 S836 E839 M840	L762-A834 HydrophobicContact CD2-CB 3.93Å; H819-A834 HydrophobicContact CB-CB 4.33Å; H819-A834 PolarHBondContact O-N 3.48Å; A834-S836 VanDerWaalsContact C-N 3.27Å; A834-S836 PolarHBondContact O-N 2.93Å; A834-E839 HydrophobicContact CB-CB 3.99Å; A834-M840 HydrophobicContact CB-CB 3.82Å
835	S	93.1	Very high	92.8	Very high	69 Å²	69	46.4 Å²	46.4	48%	0.483	27%	0.273	S	S	.	.	S	Bend	trans	-76.8	-12.8	176.7	57.8	0	0	0	0	114	S914	S835-S914 VanDerWaalsContact CB-O 3.26Å; S835-S914 WeakPolarHBondContact CB-O 3.3Å; S835-S914 PolarHBondContact OG-O 3.3Å
836	S	93.3	Very high	93.3	Very high	45 Å²	45	47.1 Å²	47.1	32%	0.315	27%	0.274	S	S	.	.	S	Bend	trans	-163.6	160.9	175.5	60.8	0	0	0	0	110.2	H819 A834 T838 E839 M840	H819-S836 VanDerWaalsContact CD2-CA 3.44Å; H819-S836 WeakPolarHBondContact CD2-CA 3.23Å; A834-S836 VanDerWaalsContact C-N 3.27Å; A834-S836 PolarHBondContact O-N 2.93Å; S836-T838 VanDerWaalsContact C-N 3.25Å; S836-T838 PolarHBondContact O-N 3.21Å; S836-E839 PolarHBondContact O-N 3.39Å; S836-E839 VanDerWaalsContact O-N 3.1Å; S836-E839 PolarHBondContact OG-N 3.45Å; S836-M840 PolarHBondContact O-N 3.3Å
837	L	94	Very high	94.1	Very high	80 Å²	80	39.5 Å²	39.5	42%	0.419	24%	0.238	S	C	.	.	H	α-helix	trans	-49.7	-45.5	171.4	178.9	60.5	0	0	0	112	H819 E839 M840 E841	H819-L837 PolarHBondContact CD2-N 3.32Å; H819-L837 VanDerWaalsContact CD2-N 3.28Å; H819-L837 PolarHBondContact NE2-N 3.29Å; L837-E839 VanDerWaalsContact C-N 3.32Å; L837-E839 PolarHBondContact O-N 3.05Å; L837-M840 HydrophobicContact CD1-CE 3.93Å; L837-M840 WeakPolarHBondContact O-CA 3.26Å; L837-M840 VanDerWaalsContact O-CB 3.31Å; L837-M840 WeakPolarHBondContact O-CB 3.43Å; L837-M840 PolarHBondContact O-N 3.21Å; L837-E841 HydrophobicContact CD1-CG 4.31Å; L837-E841 HydrophobicContact CG-CG 4.4Å; L837-E841 WeakPolarHBondContact O-CG 3.25Å; L837-E841 PolarHBondContact O-N 3.37Å
838	T	91.4	Very high	95	Very high	61 Å²	61	40.1 Å²	40.1	37%	0.374	22%	0.218	S	C	.	.	H	α-helix	trans	-69.8	-24.7	-178.5	-48.8	0	0	0	0	114	S836 E841 K842	S836-T838 VanDerWaalsContact C-N 3.25Å; S836-T838 PolarHBondContact O-N 3.21Å; T838-E841 WeakPolarHBondContact CA-OE2 3.42Å; T838-K842 WeakPolarHBondContact O-CE 3.34Å; T838-K842 WeakPolarHBondContact O-CG 3.48Å; T838-K842 PolarHBondContact O-N 2.94Å
839	E	94.6	Very high	95.4	Very high	9 Å²	9	41.6 Å²	41.6	4%	0.042	23%	0.227	C	C	.	.	H	α-helix	trans	-74.8	-38.2	166.8	-76.7	-67.3	112.4	0	0	111.2	A834 S836 L837 K842 W843 S916	A834-E839 HydrophobicContact CB-CB 3.99Å; S836-E839 PolarHBondContact O-N 3.39Å; S836-E839 VanDerWaalsContact O-N 3.1Å; S836-E839 PolarHBondContact OG-N 3.45Å; L837-E839 VanDerWaalsContact C-N 3.32Å; L837-E839 PolarHBondContact O-N 3.05Å; E839-K842 PolarHBondContact O-N 3.36Å; E839-K842 VanDerWaalsContact OE1-CE 3.23Å; E839-K842 WeakPolarHBondContact OE1-CE 3.05Å; E839-K842 IonicContact OE1-NZ 2.63Å; E839-K842 PolarHBondContact OE1-NZ 2.89Å; E839-W843 VanDerWaalsContact O-CD1 3.25Å; E839-W843 PolarHBondContact O-N 3.46Å; E839-S916 VanDerWaalsContact OE2-CB 3.28Å; E839-S916 WeakPolarHBondContact OE2-CB 3.39Å; E839-S916 PolarHBondContact OE2-N 3.49Å; E839-S916 PolarHBondContact OE2-OG 3.24Å
840	M	96.1	Very high	95.7	Very high	12 Å²	12	37.9 Å²	37.9	6%	0.059	20%	0.201	C	C	.	.	H	α-helix	trans	-59	-50.3	174.2	-176	177.3	93.1	0	0	111.1	E810 H819 F821 A834 S836 L837 K842 W843 M844	E810-M840 HydrophobicContact CG-CE 4Å; H819-M840 HydrophobicContact CB-CB 4.33Å; H819-M840 HydrophobicContact CB-SD 4.19Å; F821-M840 HydrophobicContact CD1-CG 3.64Å; F821-M840 HydrophobicContact CD1-SD 4.21Å; F821-M840 HydrophobicContact CE1-CG 3.98Å; A834-M840 HydrophobicContact CB-CB 3.82Å; S836-M840 PolarHBondContact O-N 3.3Å; L837-M840 HydrophobicContact CD1-CE 3.93Å; L837-M840 WeakPolarHBondContact O-CA 3.26Å; L837-M840 VanDerWaalsContact O-CB 3.31Å; L837-M840 WeakPolarHBondContact O-CB 3.43Å; L837-M840 PolarHBondContact O-N 3.21Å; M840-K842 VanDerWaalsContact C-N 3.33Å; M840-K842 PolarHBondContact O-N 3.48Å; M840-W843 PolarHBondContact O-N 2.96Å; M840-M844 HydrophobicContact CE-SD 4.2Å; M840-M844 HydrophobicContact CG-CG 4.07Å; M840-M844 HydrophobicContact CG-SD 3.79Å; M840-M844 WeakPolarHBondContact O-CB 3.26Å; M840-M844 VanDerWaalsContact O-CG 3.3Å; M840-M844 WeakPolarHBondContact O-CG 3.04Å; M840-M844 PolarHBondContact O-N 3.45Å; M840-M844 HydrophobicContact SD-SD 4.25Å
841	E	95.6	Very high	95.6	Very high	99 Å²	99	38 Å²	38	46%	0.463	20%	0.201	S	C	.	.	H	α-helix	trans	-53.7	-47.8	178.8	-71.1	168.4	153.8	0	0	111.7	L837 T838 Q845	L837-E841 HydrophobicContact CD1-CG 4.31Å; L837-E841 HydrophobicContact CG-CG 4.4Å; L837-E841 WeakPolarHBondContact O-CG 3.25Å; L837-E841 PolarHBondContact O-N 3.37Å; T838-E841 WeakPolarHBondContact CA-OE2 3.42Å; E841-Q845 VanDerWaalsContact O-CB 3.22Å; E841-Q845 WeakPolarHBondContact O-CB 3.5Å; E841-Q845 PolarHBondContact O-N 2.68Å
842	K	94.3	Very high	95.4	Very high	28 Å²	28	42.2 Å²	42.2	12%	0.122	22%	0.22	C	C	.	.	H	α-helix	trans	-59.9	-53.2	176.4	-77.2	179.6	-115	179.3	0	112.7	T838 E839 M840 M844 Q845 D846 S1025	T838-K842 WeakPolarHBondContact O-CE 3.34Å; T838-K842 WeakPolarHBondContact O-CG 3.48Å; T838-K842 PolarHBondContact O-N 2.94Å; E839-K842 PolarHBondContact O-N 3.36Å; E839-K842 VanDerWaalsContact OE1-CE 3.23Å; E839-K842 WeakPolarHBondContact OE1-CE 3.05Å; E839-K842 IonicContact OE1-NZ 2.63Å; E839-K842 PolarHBondContact OE1-NZ 2.89Å; M840-K842 VanDerWaalsContact C-N 3.33Å; M840-K842 PolarHBondContact O-N 3.48Å; K842-M844 VanDerWaalsContact C-N 3.33Å; K842-M844 PolarHBondContact O-N 2.81Å; K842-Q845 PolarHBondContact O-N 3.49Å; K842-D846 PolarHBondContact O-N 2.78Å; K842-S1025 WeakPolarHBondContact CE-OG 3.28Å; K842-S1025 PolarHBondContact NZ-OG 3.44Å
843	W	97.8	Very high	95.1	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.008	24%	0.241	C	C	.	.	H	α-helix	trans	-61.9	-42.6	-179.1	-84.1	103.6	0	0	0	111.5	R758 L762 F775 L777 F821 E839 M840 I847	R758-W843 HydrophobicContact CB-CH2 4.38Å; R758-W843 HydrophobicContact CB-CZ3 4.32Å; R758-W843 HydrophobicContact CG-CD2 4.47Å; R758-W843 HydrophobicContact CG-CE3 4.42Å; R758-W843 HydrophobicContact CG-CH2 3.88Å; R758-W843 HydrophobicContact CG-CZ2 3.92Å; R758-W843 HydrophobicContact CG-CZ3 4.14Å; L762-W843 HydrophobicContact CD1-CD2 3.94Å; L762-W843 HydrophobicContact CD1-CE3 4.39Å; L762-W843 HydrophobicContact CD1-CG 4.12Å; L762-W843 HydrophobicContact CD2-CG 4.25Å; L762-W843 HydrophobicContact CG-CD2 4.47Å; F775-W843 HydrophobicContact CB-CH2 3.73Å; F775-W843 HydrophobicContact CB-CZ2 4.27Å; F775-W843 HydrophobicContact CB-CZ3 4.23Å; L777-W843 HydrophobicContact CB-CZ3 4.03Å; F821-W843 HydrophobicContact CE1-CB 4.47Å; F821-W843 HydrophobicContact CE2-CB 4.47Å; F821-W843 HydrophobicContact CZ-CB 3.76Å; F821-W843 HydrophobicContact CZ-CG 4.46Å; E839-W843 VanDerWaalsContact O-CD1 3.25Å; E839-W843 PolarHBondContact O-N 3.46Å; M840-W843 PolarHBondContact O-N 2.96Å; W843-I847 HydrophobicContact CE3-CD1 4.11Å; W843-I847 HydrophobicContact CE3-CG1 4.47Å; W843-I847 VanDerWaalsContact O-CB 3.28Å; W843-I847 WeakPolarHBondContact O-CB 3.48Å; W843-I847 WeakPolarHBondContact O-CD1 3.29Å; W843-I847 WeakPolarHBondContact O-CG1 3.37Å; W843-I847 PolarHBondContact O-N 3.41Å
844	M	97.3	Very high	94.7	Very high	7 Å²	7	45.9 Å²	45.9	3%	0.034	24%	0.243	C	C	.	.	H	α-helix	trans	-68.2	-37.4	177.9	-68.9	-165.8	75.2	0	0	112.7	I808 E810 F821 M840 K842 K848	I808-M844 HydrophobicContact CD1-CB 4.31Å; I808-M844 HydrophobicContact CD1-CE 4.21Å; I808-M844 HydrophobicContact CD1-CG 3.96Å; I808-M844 HydrophobicContact CG1-CE 3.93Å; E810-M844 HydrophobicContact CG-CE 3.64Å; E810-M844 HydrophobicContact CG-SD 3.62Å; F821-M844 HydrophobicContact CB-CE 4.11Å; F821-M844 HydrophobicContact CB-CG 4.28Å; F821-M844 HydrophobicContact CB-SD 3.78Å; F821-M844 HydrophobicContact CD1-CG 4.19Å; F821-M844 HydrophobicContact CD1-SD 4.39Å; F821-M844 HydrophobicContact CD2-CG 4Å; F821-M844 HydrophobicContact CE1-CG 4.48Å; F821-M844 HydrophobicContact CE2-CG 4.29Å; F821-M844 HydrophobicContact CG-CG 3.92Å; F821-M844 HydrophobicContact CG-SD 4.05Å; M840-M844 HydrophobicContact CE-SD 4.2Å; M840-M844 HydrophobicContact CG-CG 4.07Å; M840-M844 HydrophobicContact CG-SD 3.79Å; M840-M844 WeakPolarHBondContact O-CB 3.26Å; M840-M844 VanDerWaalsContact O-CG 3.3Å; M840-M844 WeakPolarHBondContact O-CG 3.04Å; M840-M844 PolarHBondContact O-N 3.45Å; M840-M844 HydrophobicContact SD-SD 4.25Å; K842-M844 VanDerWaalsContact C-N 3.33Å; K842-M844 PolarHBondContact O-N 2.81Å; M844-K848 VanDerWaalsContact O-CB 3.26Å; M844-K848 WeakPolarHBondContact O-CB 3.13Å; M844-K848 VanDerWaalsContact O-CD 3.31Å; M844-K848 WeakPolarHBondContact O-CD 3.2Å; M844-K848 WeakPolarHBondContact O-CG 3.27Å; M844-K848 PolarHBondContact O-N 3.16Å
845	Q	97	Very high	94.1	Very high	111 Å²	111	50.8 Å²	50.8	52%	0.519	26%	0.263	S	S	.	.	H	α-helix	trans	-64.4	-50.4	175.9	179.9	169.8	12.1	0	0	111.4	E841 K842 K848 M849	E841-Q845 VanDerWaalsContact O-CB 3.22Å; E841-Q845 WeakPolarHBondContact O-CB 3.5Å; E841-Q845 PolarHBondContact O-N 2.68Å; K842-Q845 PolarHBondContact O-N 3.49Å; Q845-K848 PolarHBondContact O-N 3.46Å; Q845-M849 WeakPolarHBondContact O-CB 3.38Å; Q845-M849 PolarHBondContact O-N 3.12Å
846	D	97.6	Very high	93.3	Very high	26 Å²	26	53.4 Å²	53.4	14%	0.139	28%	0.276	C	S	.	.	H	α-helix	trans	-68.7	-40.4	-176.6	-66.7	-7.3	0	0	0	111.6	I757 R758 L777 K842 M849 A850	I757-D846 HydrophobicContact CG2-CB 4.13Å; R758-D846 IonicContact CZ-OD2 3.53Å; R758-D846 IonicContact NE-OD2 2.69Å; R758-D846 PolarHBondContact NE-OD2 3.32Å; R758-D846 IonicContact NH2-OD2 3Å; R758-D846 PolarHBondContact NH2-OD2 3.15Å; L777-D846 HydrophobicContact CD2-CB 3.82Å; K842-D846 PolarHBondContact O-N 2.78Å; D846-M849 PolarHBondContact O-N 2.98Å; D846-A850 VanDerWaalsContact O-CB 3.31Å; D846-A850 WeakPolarHBondContact O-CB 3.31Å; D846-A850 PolarHBondContact O-N 3.32Å
847	I	97.4	Very high	92.1	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-64.2	-43.4	175	-65.9	168.7	0	0	0	110.7	L777 I782 I808 F821 L823 W843 M849 A850 I851	L777-I847 HydrophobicContact CD1-CG1 4.19Å; L777-I847 HydrophobicContact CD2-CG1 3.91Å; I782-I847 HydrophobicContact CD1-CD1 3.99Å; I782-I847 HydrophobicContact CD1-CG1 4.01Å; I782-I847 HydrophobicContact CD1-CG2 4.15Å; I808-I847 HydrophobicContact CD1-CB 3.96Å; I808-I847 HydrophobicContact CD1-CD1 4.08Å; I808-I847 HydrophobicContact CD1-CG2 3.81Å; I808-I847 HydrophobicContact CG2-CG2 4.44Å; F821-I847 HydrophobicContact CE2-CD1 4.18Å; L823-I847 HydrophobicContact CD2-CD1 3.91Å; L823-I847 HydrophobicContact CD2-CG2 4.45Å; W843-I847 HydrophobicContact CE3-CD1 4.11Å; W843-I847 HydrophobicContact CE3-CG1 4.47Å; W843-I847 VanDerWaalsContact O-CB 3.28Å; W843-I847 WeakPolarHBondContact O-CB 3.48Å; W843-I847 WeakPolarHBondContact O-CD1 3.29Å; W843-I847 WeakPolarHBondContact O-CG1 3.37Å; W843-I847 PolarHBondContact O-N 3.41Å; I847-M849 PolarHBondContact O-N 3.37Å; I847-A850 PolarHBondContact O-N 2.84Å; I847-I851 HydrophobicContact CG2-CD1 3.64Å; I847-I851 HydrophobicContact CG2-CG1 4.25Å; I847-I851 WeakPolarHBondContact O-CB 3.45Å; I847-I851 VanDerWaalsContact O-CG1 3.25Å; I847-I851 WeakPolarHBondContact O-CG1 3.3Å; I847-I851 PolarHBondContact O-N 3.23Å
848	K	96	Very high	90.7	Very high	92 Å²	92	57.8 Å²	57.8	40%	0.4	30%	0.3	S	S	.	.	H	α-helix	trans	-59.3	-46.7	175.5	-75.1	167.5	-173.3	174.3	0	111	I808 M844 Q845 I851 E852	I808-K848 HydrophobicContact CG2-CG 3.62Å; M844-K848 VanDerWaalsContact O-CB 3.26Å; M844-K848 WeakPolarHBondContact O-CB 3.13Å; M844-K848 VanDerWaalsContact O-CD 3.31Å; M844-K848 WeakPolarHBondContact O-CD 3.2Å; M844-K848 WeakPolarHBondContact O-CG 3.27Å; M844-K848 PolarHBondContact O-N 3.16Å; Q845-K848 PolarHBondContact O-N 3.46Å; K848-I851 PolarHBondContact O-N 3.18Å; K848-E852 WeakPolarHBondContact O-CG 3.14Å; K848-E852 PolarHBondContact O-N 3.41Å; K848-E852 VanDerWaalsContact O-N 3.11Å
849	M	95.1	Very high	89	Confident	114 Å²	114	56.6 Å²	56.6	56%	0.562	30%	0.301	S	S	*	.	H	α-helix	trans	-63.1	-42.8	179	-168.7	177.3	-61.4	0	0	112.6	Q845 D846 I847 E852 T853	Q845-M849 WeakPolarHBondContact O-CB 3.38Å; Q845-M849 PolarHBondContact O-N 3.12Å; D846-M849 PolarHBondContact O-N 2.98Å; I847-M849 PolarHBondContact O-N 3.37Å; M849-E852 PolarHBondContact O-N 3.42Å; M849-T853 WeakPolarHBondContact O-CB 3.28Å; M849-T853 PolarHBondContact O-N 3.44Å; M849-T853 VanDerWaalsContact O-N 3.1Å; M849-T853 PolarHBondContact O-OG1 3.46Å
850	A	95.7	Very high	87.2	Confident	4 Å²	4	58.6 Å²	58.6	3%	0.033	31%	0.314	C	S	.	.	H	α-helix	trans	-64.4	-42.5	176.2	0	0	0	0	0	112.3	I757 L777 L803 D846 I847 T853 A854	I757-A850 HydrophobicContact CD1-CB 3.6Å; L777-A850 HydrophobicContact CD1-CB 4.07Å; L777-A850 HydrophobicContact CD2-CB 4.46Å; L803-A850 HydrophobicContact CD1-CB 3.51Å; D846-A850 VanDerWaalsContact O-CB 3.31Å; D846-A850 WeakPolarHBondContact O-CB 3.31Å; D846-A850 PolarHBondContact O-N 3.32Å; I847-A850 PolarHBondContact O-N 2.84Å; A850-T853 PolarHBondContact O-N 3.01Å; A850-A854 WeakPolarHBondContact O-CB 3.24Å; A850-A854 PolarHBondContact O-N 3.44Å
851	I	94.4	Very high	85.1	Confident	7 Å²	7	62.6 Å²	62.6	4%	0.036	34%	0.34	C	S	.	.	H	α-helix	trans	-60.6	-45.9	176.3	-72	168.9	0	0	0	111.5	L803 M806 I808 I847 K848 T853 A854 K855	L803-I851 HydrophobicContact CB-CG1 4.2Å; L803-I851 HydrophobicContact CD2-CG1 4Å; M806-I851 HydrophobicContact CB-CD1 3.94Å; M806-I851 HydrophobicContact CB-CG1 4.23Å; M806-I851 HydrophobicContact CG-CD1 3.97Å; M806-I851 HydrophobicContact SD-CD1 4.05Å; I808-I851 HydrophobicContact CG2-CD1 4.27Å; I847-I851 HydrophobicContact CG2-CD1 3.64Å; I847-I851 HydrophobicContact CG2-CG1 4.25Å; I847-I851 WeakPolarHBondContact O-CB 3.45Å; I847-I851 VanDerWaalsContact O-CG1 3.25Å; I847-I851 WeakPolarHBondContact O-CG1 3.3Å; I847-I851 PolarHBondContact O-N 3.23Å; K848-I851 PolarHBondContact O-N 3.18Å; I851-T853 VanDerWaalsContact C-N 3.32Å; I851-T853 PolarHBondContact O-N 3.17Å; I851-A854 PolarHBondContact O-N 3.38Å; I851-K855 WeakPolarHBondContact O-CG 3.41Å; I851-K855 PolarHBondContact O-N 2.91Å
852	E	92.3	Very high	83	Confident	103 Å²	103	59.6 Å²	59.6	48%	0.481	33%	0.329	S	S	.	.	H	α-helix	trans	-63.4	-39.5	177.1	-63.3	-47.9	129.5	0	0	111.9	K848 M849 K855	K848-E852 WeakPolarHBondContact O-CG 3.14Å; K848-E852 PolarHBondContact O-N 3.41Å; K848-E852 VanDerWaalsContact O-N 3.11Å; M849-E852 PolarHBondContact O-N 3.42Å; E852-K855 WeakPolarHBondContact O-CB 3.46Å; E852-K855 PolarHBondContact O-N 3.35Å; E852-K855 WeakPolarHBondContact OE1-CE 3.13Å; E852-K855 IonicContact OE1-NZ 2.76Å; E852-K855 PolarHBondContact OE1-NZ 3.48Å; E852-K855 WeakPolarHBondContact OE2-CE 3.27Å; E852-K855 IonicContact OE2-NZ 2.73Å; E852-K855 PolarHBondContact OE2-NZ 2.98Å
853	T	90.1	Very high	80.8	Confident	71 Å²	71	64.5 Å²	64.5	44%	0.436	36%	0.357	S	S	.	.	H	α-helix	trans	-66.6	-37.3	177.8	-52.4	0	0	0	0	111.7	M849 A850 I851 K855 T856 S857	M849-T853 WeakPolarHBondContact O-CB 3.28Å; M849-T853 PolarHBondContact O-N 3.44Å; M849-T853 VanDerWaalsContact O-N 3.1Å; M849-T853 PolarHBondContact O-OG1 3.46Å; A850-T853 PolarHBondContact O-N 3.01Å; I851-T853 VanDerWaalsContact C-N 3.32Å; I851-T853 PolarHBondContact O-N 3.17Å; T853-K855 VanDerWaalsContact C-N 3.26Å; T853-K855 PolarHBondContact O-N 2.97Å; T853-T856 PolarHBondContact O-N 3.37Å; T853-T856 PolarHBondContact O-OG1 3.39Å; T853-S857 WeakPolarHBondContact O-CB 3.44Å; T853-S857 PolarHBondContact O-N 3.29Å
854	A	88.2	Confident	78.3	Confident	11 Å²	11	68.4 Å²	68.4	9%	0.091	38%	0.381	C	S	.	.	H	α-helix	trans	-70.2	-15.3	176.6	0	0	0	0	0	114.2	L803 R804 A850 I851	L803-A854 HydrophobicContact CB-CB 4Å; R804-A854 PolarHBondContact NE-O 2.97Å; R804-A854 PolarHBondContact NH2-O 3.34Å; A850-A854 WeakPolarHBondContact O-CB 3.24Å; A850-A854 PolarHBondContact O-N 3.44Å; I851-A854 PolarHBondContact O-N 3.38Å
855	K	84.8	Confident	76.1	Confident	114 Å²	114	68.5 Å²	68.5	50%	0.496	38%	0.381	S	S	.	.	H	α-helix	trans	-76.8	-42	170.8	-64.9	172.6	-163.5	172.4	0	112	I851 E852 T853	I851-K855 WeakPolarHBondContact O-CG 3.41Å; I851-K855 PolarHBondContact O-N 2.91Å; E852-K855 WeakPolarHBondContact O-CB 3.46Å; E852-K855 PolarHBondContact O-N 3.35Å; E852-K855 WeakPolarHBondContact OE1-CE 3.13Å; E852-K855 IonicContact OE1-NZ 2.76Å; E852-K855 PolarHBondContact OE1-NZ 3.48Å; E852-K855 WeakPolarHBondContact OE2-CE 3.27Å; E852-K855 IonicContact OE2-NZ 2.73Å; E852-K855 PolarHBondContact OE2-NZ 2.98Å; T853-K855 VanDerWaalsContact C-N 3.26Å; T853-K855 PolarHBondContact O-N 2.97Å
856	T	76.8	Confident	73.5	Confident	123 Å²	123	68.1 Å²	68.1	76%	0.755	39%	0.387	S	S	*	.	H	α-helix	trans	-86.1	-23.7	-176.5	50.3	0	0	0	0	113.3	T853	T853-T856 PolarHBondContact O-N 3.37Å; T853-T856 PolarHBondContact O-OG1 3.39Å
857	S	68.8	Low	70.7	Confident	53 Å²	53	68.8 Å²	68.8	37%	0.371	39%	0.393	S	S	.	.			trans	-79.7	132.6	179.1	-173.8	0	0	0	0	113	R804 T853 G859	R804-S857 PolarHBondContact NH2-O 2.96Å; T853-S857 WeakPolarHBondContact O-CB 3.44Å; T853-S857 PolarHBondContact O-N 3.29Å; S857-G859 PolarHBondContact O-N 3.46Å; S857-G859 VanDerWaalsContact O-N 3.16Å; S857-G859 PolarHBondContact OG-N 2.83Å
858	N	62.8	Low	67.5	Low	164 Å²	164	74 Å²	74	88%	0.877	43%	0.425	S	S	*	.			trans	-84.1	51.9	161.6	-72.6	-22.4	0	0	0	110
859	G	57.3	Low	64.6	Low	37 Å²	37	76.8 Å²	76.8	38%	0.381	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-67.3	173.3	179.3	0	0	0	0	0	113.2	S857 T861	S857-G859 PolarHBondContact O-N 3.46Å; S857-G859 VanDerWaalsContact O-N 3.16Å; S857-G859 PolarHBondContact OG-N 2.83Å; G859-T861 PolarHBondContact O-N 2.86Å
860	P	55.4	Low	61.5	Low	50 Å²	50	77.9 Å²	77.9	33%	0.325	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-54.8	136.3	176.4	24.7	-34.3	0	0	0	110.6	V751	V751-P860 HydrophobicContact CG1-CB 4.36Å; V751-P860 HydrophobicContact CG1-CG 4.48Å
861	T	53.8	Low	58.3	Low	97 Å²	97	83.1 Å²	83.1	60%	0.595	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-68.6	143.7	175.2	63.3	0	0	0	0	109.5	G859 D863	G859-T861 PolarHBondContact O-N 2.86Å; T861-D863 WeakPolarHBondContact CB-OD2 3.44Å; T861-D863 PolarHBondContact O-N 2.84Å; T861-D863 PolarHBondContact OG1-OD2 2.8Å
862	S	50.9	Low	55.1	Low	35 Å²	35	90.6 Å²	90.6	25%	0.245	52%	0.524	C	S	.	.	G	3₁₀ helix	trans	-72.2	6.4	-168.7	-169.6	0	0	0	0	114.2	V864	S862-V864 VanDerWaalsContact C-N 3.26Å; S862-V864 PolarHBondContact O-N 3.5Å
863	D	46.8	Very low	52	Low	131 Å²	131	93.4 Å²	93.4	70%	0.701	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-77.2	-9	-168.4	-43.7	-55	0	0	0	113.6	T861	T861-D863 WeakPolarHBondContact CB-OD2 3.44Å; T861-D863 PolarHBondContact O-N 2.84Å; T861-D863 PolarHBondContact OG1-OD2 2.8Å
864	V	45.7	Very low	48.6	Very low	84 Å²	84	96 Å²	96	51%	0.509	56%	0.555	S	S	.	*	G	3₁₀ helix	trans	-90.7	-10.9	-170.3	-173.2	0	0	0	0	113.2	S862 T866	S862-V864 VanDerWaalsContact C-N 3.26Å; S862-V864 PolarHBondContact O-N 3.5Å; V864-T866 PolarHBondContact O-N 2.63Å; V864-T866 VanDerWaalsContact O-N 3.12Å
865	L	51.3	Low	46.2	Very low	9 Å²	9	100.5 Å²	100.5	5%	0.047	58%	0.583	C	S	.	*			trans	-87.8	73.4	178.4	-69.4	-177.4	0	0	0	111.8	V746 V781 L783 Q800 C867	V746-L865 HydrophobicContact CG1-CD2 3.99Å; V781-L865 HydrophobicContact CG1-CD1 4.07Å; L783-L865 HydrophobicContact CD2-CD1 4.12Å; Q800-L865 PolarHBondContact NE2-O 3.07Å; L865-C867 PolarHBondContact O-N 3.07Å
866	T	42.8	Very low	43.5	Very low	104 Å²	104	104 Å²	104	64%	0.638	60%	0.601	S	S	*	*			trans	-75.1	85.1	177.5	-30.5	0	0	0	0	111.3	V864 T868	V864-T866 PolarHBondContact O-N 2.63Å; V864-T866 VanDerWaalsContact O-N 3.12Å; T866-T868 PolarHBondContact O-N 2.94Å
867	C	37.8	Very low	41.1	Very low	40 Å²	40	105.2 Å²	105.2	27%	0.27	60%	0.603	S	S	.	*			trans	-61.3	121.6	165.7	-73.4	0	0	0	0	109.5	G745 L865 L869	G745-C867 PolarHBondContact O-SG 3.04Å; G745-C867 VanDerWaalsContact O-SG 3.39Å; L865-C867 PolarHBondContact O-N 3.07Å; C867-L869 PolarHBondContact O-N 3.11Å
868	T	31.8	Very low	39.2	Very low	110 Å²	110	107.5 Å²	107.5	68%	0.675	62%	0.619	S	S	*	*			trans	-74.7	68.5	-178.4	29.1	0	0	0	0	112.3	T866	T866-T868 PolarHBondContact O-N 2.94Å
869	L	34.3	Very low	37.5	Very low	151 Å²	151	105.4 Å²	105.4	79%	0.791	62%	0.617	S	S	*	*			trans	-90.1	108.1	164.2	-64.3	175.7	0	0	0	108.4	C867 D871	C867-L869 PolarHBondContact O-N 3.11Å; L869-D871 PolarHBondContact O-N 3.37Å
870	T	29.4	Very low	36.2	Very low	137 Å²	137	108.3 Å²	108.3	84%	0.84	64%	0.638	S	S	*	*			trans	-74.2	90.2	177.5	49.7	0	0	0	0	110.6	N872	T870-N872 PolarHBondContact O-N 3.38Å
871	D	28.5	Very low	34.9	Very low	115 Å²	115	115.6 Å²	115.6	62%	0.615	67%	0.667	S	S	*	*			trans	-67.6	115.2	174.9	-173.4	30.5	0	0	0	110.6	L869 K873	L869-D871 PolarHBondContact O-N 3.37Å; D871-K873 WeakPolarHBondContact OD1-CG 3.33Å; D871-K873 IonicContact OD1-NZ 3.74Å; D871-K873 PolarHBondContact OD1-NZ 2.93Å; D871-K873 IonicContact OD2-NZ 3.19Å; D871-K873 PolarHBondContact OD2-NZ 3.47Å
872	N	27.3	Very low	33.7	Very low	163 Å²	163	115 Å²	115	87%	0.872	67%	0.672	S	S	*	*			trans	-128.6	74.8	-177.9	-127.7	7	0	0	0	109.1	T870	T870-N872 PolarHBondContact O-N 3.38Å
873	K	27	Very low	32.8	Very low	163 Å²	163	117.8 Å²	117.8	71%	0.709	68%	0.681	S	S	*	*			trans	-74.5	140.2	-176.9	-74.2	177.7	171.7	64.7	0	112.8	D871	D871-K873 WeakPolarHBondContact OD1-CG 3.33Å; D871-K873 IonicContact OD1-NZ 3.74Å; D871-K873 PolarHBondContact OD1-NZ 2.93Å; D871-K873 IonicContact OD2-NZ 3.19Å; D871-K873 PolarHBondContact OD2-NZ 3.47Å
874	C	20.2	Very low	32	Very low	125 Å²	125	116.7 Å²	116.7	85%	0.845	68%	0.684	S	S	*	*			trans	-128.8	149.7	140.9	-133.5	0	0	0	0	107.3
875	P	36.8	Very low	31.3	Very low	106 Å²	106	119 Å²	119	69%	0.688	69%	0.689	S	S	*	*			trans	-95.1	164.5	-160.5	37.5	-36.5	0	0	0	114.8
876	E	27.8	Very low	30.2	Very low	186 Å²	186	124.6 Å²	124.6	87%	0.869	72%	0.719	S	S	*	*			trans	67.5	139.8	172.6	-61.8	168.9	179.1	0	0	114.2
877	D	25.9	Very low	29.5	Very low	149 Å²	149	127.4 Å²	127.4	80%	0.797	73%	0.73	S	S	*	*			cis	-142.3	180	13.3	-156.1	-15.2	0	0	0	111.5
878	S	28.8	Very low	29.2	Very low	101 Å²	101	131 Å²	131	71%	0.706	75%	0.751	S	S	*	*			trans	-60.7	134.5	-169.3	61.1	0	0	0	0	117
879	S	27.3	Very low	29.2	Very low	121 Å²	121	130.9 Å²	130.9	85%	0.846	76%	0.755	S	S	*	*			trans	174.6	168.9	132.6	47.5	0	0	0	0	113.2
880	A	31.3	Very low	28.8	Very low	98 Å²	98	128.7 Å²	128.7	81%	0.81	76%	0.759	S	S	*	*			trans	-41	129.4	-170.5	0	0	0	0	0	117.5	A882	A880-A882 PolarHBondContact O-N 3.37Å; A880-A882 VanDerWaalsContact O-N 3.13Å
881	E	28.3	Very low	28.7	Very low	202 Å²	202	130.1 Å²	130.1	94%	0.944	76%	0.76	S	S	*	*			trans	-67.5	109.3	171.4	-69	-159.6	161.4	0	0	112.1
882	A	28	Very low	29	Very low	84 Å²	84	132.3 Å²	132.3	69%	0.694	77%	0.772	S	S	*	*			trans	-84.6	124.8	166.3	0	0	0	0	0	109.7	A880 S884	A880-A882 PolarHBondContact O-N 3.37Å; A880-A882 VanDerWaalsContact O-N 3.13Å; A882-S884 VanDerWaalsContact C-N 3.3Å; A882-S884 PolarHBondContact O-N 3.4Å
883	E	30.8	Very low	28.9	Very low	94 Å²	94	130.9 Å²	130.9	44%	0.439	77%	0.769	S	S	.	*			trans	-65.3	83.6	170.9	-69.1	-176.4	-165.4	0	0	111	S766 K768	S766-E883 WeakPolarHBondContact CB-OE1 3.32Å; S766-E883 PolarHBondContact OG-OE1 2.8Å; K768-E883 VanDerWaalsContact CD-OE2 3.25Å; K768-E883 WeakPolarHBondContact CD-OE2 3.48Å; K768-E883 WeakPolarHBondContact CE-O 3.48Å; K768-E883 WeakPolarHBondContact CE-OE2 3.41Å; K768-E883 PolarHBondContact NZ-O 3.4Å; K768-E883 IonicContact NZ-OE2 3.38Å; K768-E883 PolarHBondContact NZ-OE2 3.23Å
884	S	30.6	Very low	28.9	Very low	108 Å²	108	128.5 Å²	128.5	76%	0.755	77%	0.773	S	S	*	*			trans	-93.2	112.9	169.6	60.1	0	0	0	0	111.2	A882	A882-S884 VanDerWaalsContact C-N 3.3Å; A882-S884 PolarHBondContact O-N 3.4Å
885	E	31.4	Very low	29.4	Very low	133 Å²	133	131.3 Å²	131.3	62%	0.621	78%	0.779	S	S	*	*			trans	-130.9	101.6	165.7	-74.7	-176.8	143.8	0	0	107.7
886	D	27.4	Very low	29	Very low	126 Å²	126	132.5 Å²	132.5	67%	0.674	78%	0.775	S	S	*	*			trans	-126.9	73.2	166.7	-174	-0.7	0	0	0	108.5	T888	D886-T888 PolarHBondContact O-N 2.98Å; D886-T888 WeakPolarHBondContact OD1-CB 3.48Å; D886-T888 VanDerWaalsContact OD1-CG2 3.26Å; D886-T888 WeakPolarHBondContact OD1-CG2 3.47Å; D886-T888 PolarHBondContact OD1-OG1 3.45Å
887	D	29.6	Very low	29	Very low	163 Å²	163	133 Å²	133	87%	0.872	77%	0.774	S	S	*	*			trans	-77.6	69.7	174.9	-96.4	-24.1	0	0	0	110.2
888	T	31.5	Very low	29.3	Very low	117 Å²	117	132 Å²	132	72%	0.718	78%	0.776	S	S	*	*			trans	-108.9	17.3	171.5	51.2	0	0	0	0	114	D886	D886-T888 PolarHBondContact O-N 2.98Å; D886-T888 WeakPolarHBondContact OD1-CB 3.48Å; D886-T888 VanDerWaalsContact OD1-CG2 3.26Å; D886-T888 WeakPolarHBondContact OD1-CG2 3.47Å; D886-T888 PolarHBondContact OD1-OG1 3.45Å
889	S	30.4	Very low	29.9	Very low	106 Å²	106	130.2 Å²	130.2	74%	0.741	77%	0.768	S	S	*	*			trans	-147.6	99.6	169.5	63.1	0	0	0	0	114.7
890	A	26.2	Very low	30.6	Very low	106 Å²	106	126.8 Å²	126.8	88%	0.876	75%	0.746	S	S	*	*			trans	-117.5	125.7	158.7	0	0	0	0	0	108.8
891	L	27.6	Very low	31.6	Very low	166 Å²	166	128.4 Å²	128.4	87%	0.869	74%	0.737	S	S	*	*			trans	-87.5	158.2	-170.7	-87.3	157.8	0	0	0	113.5	T893	L891-T893 PolarHBondContact O-N 2.83Å
892	N	34.3	Very low	33.3	Very low	162 Å²	162	121.3 Å²	121.3	87%	0.866	70%	0.702	S	S	*	*			trans	-70.8	106.3	178.4	-62.5	-66.8	0	0	0	112.4
893	T	26.6	Very low	35	Very low	132 Å²	132	119.9 Å²	119.9	81%	0.81	70%	0.695	S	S	*	*			trans	-153.9	81.5	158.1	41.2	0	0	0	0	113.2	L891	L891-T893 PolarHBondContact O-N 2.83Å
894	S	25.5	Very low	37.5	Very low	114 Å²	114	120.9 Å²	120.9	80%	0.797	70%	0.703	S	S	*	*			trans	161.2	152.6	140.6	51.6	0	0	0	0	111.4	E896	S894-E896 PolarHBondContact O-N 2.87Å
895	L	31.7	Very low	40.2	Very low	184 Å²	184	116.9 Å²	116.9	96%	0.963	67%	0.674	S	S	*	*			trans	-93.5	78.7	173.3	-81	112	0	0	0	111.2
896	E	27	Very low	43.1	Very low	131 Å²	131	111.2 Å²	111.2	61%	0.612	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-96.5	140	149.5	-75	-147.5	125.9	0	0	109.6	R655 S894	R655-E896 IonicContact CZ-OE1 3.59Å; R655-E896 VanDerWaalsContact CZ-OE1 3.29Å; R655-E896 IonicContact NH1-OE1 3.75Å; R655-E896 PolarHBondContact NH1-OE1 2.93Å; R655-E896 IonicContact NH2-OE1 2.67Å; R655-E896 PolarHBondContact NH2-OE1 3.24Å; R655-E896 IonicContact NH2-OE2 2.81Å; S894-E896 PolarHBondContact O-N 2.87Å
897	K	28.3	Very low	46.2	Very low	196 Å²	196	105.4 Å²	105.4	85%	0.852	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-64.9	143.4	175	-72.6	176.9	176.8	174.6	0	109.3	A899	K897-A899 PolarHBondContact O-N 2.99Å; K897-A899 VanDerWaalsContact O-N 3.13Å
898	P	31.8	Very low	49.3	Very low	128 Å²	128	97.7 Å²	97.7	83%	0.831	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-53.9	122	167.6	-23.8	33.8	0	0	0	110.2
899	A	41.8	Very low	52.2	Low	64 Å²	64	92.7 Å²	92.7	53%	0.529	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-61.3	138.4	178	0	0	0	0	0	110.3	T792 K897	T792-A899 HydrophobicContact CG2-CB 4.27Å; K897-A899 PolarHBondContact O-N 2.99Å; K897-A899 VanDerWaalsContact O-N 3.13Å
900	A	42.6	Very low	55.3	Low	48 Å²	48	87.7 Å²	87.7	40%	0.397	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-61.5	140.8	-179.4	0	0	0	0	0	111.2	L666 R902	L666-A900 HydrophobicContact CD1-CB 3.83Å; A900-R902 PolarHBondContact O-N 2.8Å
901	H	52.6	Low	58.5	Low	132 Å²	132	83.9 Å²	83.9	61%	0.611	47%	0.473	S	S	*	.			trans	-66.4	114.4	-174.6	-156.2	71.9	0	0	0	110.3
902	R	63.8	Low	61.6	Low	54 Å²	54	81.7 Å²	81.7	20%	0.204	46%	0.458	C	S	.	.			trans	-70.9	152	-177.5	-77.4	-177	170.4	153.1	0.6	112.3	K741 N793 A900	K741-R902 PolarHBondContact O-NH1 3.05Å; N793-R902 PolarHBondContact ND2-O 3.39Å; A900-R902 PolarHBondContact O-N 2.8Å
903	G	64.2	Low	64.3	Low	53 Å²	53	76.4 Å²	76.4	55%	0.546	43%	0.426	S	S	.	.			trans	-63.6	155.7	175.9	0	0	0	0	0	113.2	T905	G903-T905 PolarHBondContact O-N 3.29Å
904	N	81.6	Confident	67.4	Low	116 Å²	116	72.3 Å²	72.3	62%	0.62	40%	0.402	S	S	*	.			trans	-81.2	106	-177	-70	-46.8	0	0	0	111.8	N793 H908	N793-N904 PolarHBondContact ND2-OD1 2.73Å; N904-H908 HydrophobicContact CB-CB 4.13Å
905	T	89.1	Confident	70.6	Confident	23 Å²	23	68.1 Å²	68.1	14%	0.141	37%	0.372	C	S	.	.			trans	-75.8	178.2	175.2	72.8	0	0	0	0	113	D742 G903 V907 H908 V909	D742-T905 WeakPolarHBondContact OD1-CG2 3.42Å; D742-T905 VanDerWaalsContact OD2-CB 3.32Å; D742-T905 WeakPolarHBondContact OD2-CB 3.35Å; D742-T905 WeakPolarHBondContact OD2-CG2 3.4Å; D742-T905 PolarHBondContact OD2-OG1 3.38Å; G903-T905 PolarHBondContact O-N 3.29Å; T905-V907 PolarHBondContact O-N 2.85Å; T905-V907 WeakPolarHBondContact OG1-CB 3.5Å; T905-V907 PolarHBondContact OG1-N 3.35Å; T905-H908 PolarHBondContact N-ND1 3Å; T905-H908 WeakPolarHBondContact O-CB 3.33Å; T905-H908 PolarHBondContact O-N 3.41Å; T905-H908 VanDerWaalsContact O-N 3.13Å; T905-H908 PolarHBondContact OG1-ND1 2.79Å; T905-V909 PolarHBondContact O-N 3.34Å
906	M	91	Very high	73.7	Confident	14 Å²	14	59.7 Å²	59.7	7%	0.069	33%	0.328	C	S	.	.	H	α-helix	trans	-62.5	-24.9	173.8	-64.9	-50.8	-58.6	0	0	113.7	H908 V909 C910 F922 N953 F954 L974	M906-H908 VanDerWaalsContact C-N 3.33Å; M906-H908 PolarHBondContact O-N 3.19Å; M906-V909 HydrophobicContact CE-CB 4.29Å; M906-V909 HydrophobicContact CE-CG1 4.47Å; M906-V909 PolarHBondContact O-N 3.37Å; M906-V909 HydrophobicContact SD-CG2 4.38Å; M906-C910 WeakPolarHBondContact O-CB 3.34Å; M906-C910 PolarHBondContact O-N 3.11Å; M906-C910 PolarHBondContact O-SG 2.7Å; M906-F922 HydrophobicContact CB-CZ 4.27Å; M906-F922 HydrophobicContact CG-CE1 4.22Å; M906-F922 HydrophobicContact CG-CZ 4.4Å; M906-N953 WeakPolarHBondContact CG-OD1 3.49Å; M906-F954 HydrophobicContact CE-CB 3.66Å; M906-F954 HydrophobicContact CE-CD2 3.63Å; M906-F954 HydrophobicContact CE-CE2 4.47Å; M906-F954 HydrophobicContact CE-CG 3.79Å; M906-F954 HydrophobicContact CG-CD2 4.27Å; M906-F954 HydrophobicContact SD-CB 4.24Å; M906-F954 HydrophobicContact SD-CD2 4.09Å; M906-L974 HydrophobicContact CE-CD1 3.34Å; M906-L974 HydrophobicContact CE-CD2 4.45Å; M906-L974 HydrophobicContact CE-CG 3.7Å
907	V	93.7	Very high	77	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.024	30%	0.3	C	S	.	.	H	α-helix	trans	-60.5	-45.2	173	-175.2	0	0	0	0	110.2	L739 D742 L759 M774 F776 F795 T905 V909 C910 W911	L739-V907 HydrophobicContact CD2-CG2 3.8Å; D742-V907 HydrophobicContact CB-CG2 4.4Å; D742-V907 WeakPolarHBondContact OD2-CB 3.38Å; D742-V907 WeakPolarHBondContact OD2-CG2 3.36Å; L759-V907 HydrophobicContact CD1-CG2 4.42Å; L759-V907 HydrophobicContact CD2-CG2 4.18Å; M774-V907 HydrophobicContact CE-CG1 3.84Å; M774-V907 HydrophobicContact CG-CG1 4.46Å; F776-V907 HydrophobicContact CE1-CG1 3.96Å; F776-V907 HydrophobicContact CE1-CG2 4.16Å; F776-V907 HydrophobicContact CZ-CG1 3.79Å; F795-V907 HydrophobicContact CD2-CG1 3.83Å; F795-V907 HydrophobicContact CE2-CB 4.36Å; F795-V907 HydrophobicContact CE2-CG1 3.53Å; F795-V907 HydrophobicContact CZ-CG1 4.09Å; T905-V907 PolarHBondContact O-N 2.85Å; T905-V907 WeakPolarHBondContact OG1-CB 3.5Å; T905-V907 PolarHBondContact OG1-N 3.35Å; V907-V909 PolarHBondContact O-N 2.75Å; V907-C910 PolarHBondContact O-N 3.13Å; V907-W911 WeakPolarHBondContact O-CB 3.49Å; V907-W911 PolarHBondContact O-N 3Å
908	H	93.9	Very high	80.2	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.009	26%	0.261	C	S	.	.	H	α-helix	trans	-64.7	-39.1	178	-60.6	76.1	0	0	0	112	D742 N793 N904 T905 M906 H912	D742-H908 IonicContact OD1-CE1 3.8Å; D742-H908 PolarHBondContact OD1-CE1 3.41Å; N793-H908 VanDerWaalsContact CG-NE2 3.32Å; N793-H908 PolarHBondContact ND2-NE2 3.12Å; N793-H908 PolarHBondContact O-NE2 3.21Å; N793-H908 VanDerWaalsContact O-NE2 3.13Å; N793-H908 PolarHBondContact OD1-CD2 3.11Å; N793-H908 PolarHBondContact OD1-NE2 3.29Å; N904-H908 HydrophobicContact CB-CB 4.13Å; T905-H908 PolarHBondContact N-ND1 3Å; T905-H908 WeakPolarHBondContact O-CB 3.33Å; T905-H908 PolarHBondContact O-N 3.41Å; T905-H908 VanDerWaalsContact O-N 3.13Å; T905-H908 PolarHBondContact OG1-ND1 2.79Å; M906-H908 VanDerWaalsContact C-N 3.33Å; M906-H908 PolarHBondContact O-N 3.19Å; H908-H912 PolarHBondContact O-CD2 3.43Å; H908-H912 PolarHBondContact O-N 3.12Å
909	V	93.3	Very high	83.3	Confident	12 Å²	12	39.8 Å²	39.8	7%	0.073	23%	0.228	C	C	.	.	H	α-helix	trans	-65.7	-42.8	174.9	-174.9	0	0	0	0	110.9	T905 M906 V907 H912 R913 P972 L974	T905-V909 PolarHBondContact O-N 3.34Å; M906-V909 HydrophobicContact CE-CB 4.29Å; M906-V909 HydrophobicContact CE-CG1 4.47Å; M906-V909 PolarHBondContact O-N 3.37Å; M906-V909 HydrophobicContact SD-CG2 4.38Å; V907-V909 PolarHBondContact O-N 2.75Å; V909-H912 PolarHBondContact O-N 2.82Å; V909-R913 HydrophobicContact CG1-CG 4.44Å; V909-R913 WeakPolarHBondContact O-CB 3.16Å; V909-R913 WeakPolarHBondContact O-CG 3.38Å; V909-R913 PolarHBondContact O-N 3.4Å; V909-R913 VanDerWaalsContact O-N 3.08Å; V909-P972 HydrophobicContact CG1-CB 4.21Å; V909-P972 HydrophobicContact CG2-CB 3.93Å; V909-P972 HydrophobicContact CG2-CG 4.24Å; V909-L974 HydrophobicContact CB-CD1 4.45Å; V909-L974 HydrophobicContact CG1-CB 4.11Å; V909-L974 HydrophobicContact CG1-CD1 3.94Å; V909-L974 HydrophobicContact CG1-CG 4.34Å
910	C	94.5	Very high	85.8	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.1	-43.3	177.8	-68.9	0	0	0	0	112.3	L759 M774 M906 V907 R913 S914 T915	L759-C910 HydrophobicContact CD1-CB 3.98Å; L759-C910 VanDerWaalsContact CD1-SG 3.56Å; M774-C910 HydrophobicContact CE-CB 3.87Å; M906-C910 WeakPolarHBondContact O-CB 3.34Å; M906-C910 PolarHBondContact O-N 3.11Å; M906-C910 PolarHBondContact O-SG 2.7Å; V907-C910 PolarHBondContact O-N 3.13Å; C910-R913 PolarHBondContact O-N 3.5Å; C910-S914 PolarHBondContact O-N 3.46Å; C910-T915 HydrophobicContact CB-CG2 4.4Å; C910-T915 WeakPolarHBondContact CB-O 3.39Å; C910-T915 PolarHBondContact O-N 2.84Å
911	W	94.5	Very high	88.2	Confident	27 Å²	27	39.2 Å²	39.2	10%	0.102	21%	0.213	C	C	.	.	H	α-helix	trans	-57.8	-53.3	173.4	174.5	-109.8	0	0	0	112.1	Q772 M774 M789 F795 V907 R913	Q772-W911 HydrophobicContact CB-CH2 4.08Å; Q772-W911 HydrophobicContact CB-CZ3 4.16Å; Q772-W911 HydrophobicContact CG-CE3 4.13Å; Q772-W911 HydrophobicContact CG-CH2 3.9Å; Q772-W911 HydrophobicContact CG-CZ3 3.6Å; Q772-W911 PolarHBondContact NE2-O 3.12Å; M774-W911 HydrophobicContact CG-CB 4.34Å; M774-W911 HydrophobicContact CG-CE3 3.78Å; M774-W911 HydrophobicContact SD-CB 3.74Å; M774-W911 HydrophobicContact SD-CE3 3.91Å; M789-W911 HydrophobicContact SD-CG 4.29Å; M789-W911 PolarHBondContact SD-NE1 2.85Å; F795-W911 HydrophobicContact CE1-CB 4.15Å; F795-W911 AromaticContact CE1-CD2 3.91Å; F795-W911 HydrophobicContact CE1-CD2 3.91Å; F795-W911 HydrophobicContact CE1-CE3 4.16Å; F795-W911 AromaticContact CE1-CG 3.9Å; F795-W911 HydrophobicContact CE1-CG 3.9Å; F795-W911 HydrophobicContact CZ-CB 3.93Å; F795-W911 HydrophobicContact CZ-CG 4.02Å; V907-W911 WeakPolarHBondContact O-CB 3.49Å; V907-W911 PolarHBondContact O-N 3Å; W911-R913 VanDerWaalsContact C-N 3.25Å; W911-R913 PolarHBondContact O-N 3.47Å
912	H	92	Very high	90.2	Very high	120 Å²	120	34.8 Å²	34.8	56%	0.556	19%	0.192	S	C	*	.	H	α-helix	trans	-74	-10	-177.1	-70.6	-51.7	0	0	0	115.1	H908 V909	H908-H912 PolarHBondContact O-CD2 3.43Å; H908-H912 PolarHBondContact O-N 3.12Å; V909-H912 PolarHBondContact O-N 2.82Å
913	R	91.6	Very high	91.6	Very high	51 Å²	51	33.8 Å²	33.8	19%	0.192	19%	0.193	C	C	.	.	H	α-helix	trans	-117.1	-3.3	-180	-58.4	-172.3	-170.3	-177.2	6.1	114.5	V909 C910 W911 T915 P972 L974 F997	V909-R913 HydrophobicContact CG1-CG 4.44Å; V909-R913 WeakPolarHBondContact O-CB 3.16Å; V909-R913 WeakPolarHBondContact O-CG 3.38Å; V909-R913 PolarHBondContact O-N 3.4Å; V909-R913 VanDerWaalsContact O-N 3.08Å; C910-R913 PolarHBondContact O-N 3.5Å; W911-R913 VanDerWaalsContact C-N 3.25Å; W911-R913 PolarHBondContact O-N 3.47Å; R913-T915 HydrophobicContact CB-CG2 4.07Å; R913-P972 VanDerWaalsContact CZ-O 3.26Å; R913-P972 PolarHBondContact NH1-O 2.83Å; R913-P972 PolarHBondContact NH2-O 3.42Å; R913-L974 WeakPolarHBondContact CD-O 3.44Å; R913-L974 PolarHBondContact NH1-O 3.07Å; R913-F997 HydrophobicContact CB-CZ 4.47Å; R913-F997 HydrophobicContact CG-CE1 4.35Å; R913-F997 HydrophobicContact CG-CZ 3.94Å
914	S	91.4	Very high	93	Very high	46 Å²	46	32.9 Å²	32.9	32%	0.322	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	51.6	179.2	-50.8	0	0	0	0	112.7	S835 C910	S835-S914 VanDerWaalsContact CB-O 3.26Å; S835-S914 WeakPolarHBondContact CB-O 3.3Å; S835-S914 PolarHBondContact OG-O 3.3Å; C910-S914 PolarHBondContact O-N 3.46Å
915	T	93.4	Very high	93.5	Very high	26 Å²	26	27.6 Å²	27.6	16%	0.16	15%	0.149	C	C	.	.			trans	-136.9	171.8	-175.3	-170.6	0	0	0	0	110.7	G760 C761 C910 R913 L974	G760-T915 VanDerWaalsContact CA-O 3.29Å; G760-T915 WeakPolarHBondContact CA-O 3.37Å; C761-T915 PolarHBondContact N-O 3.44Å; C910-T915 HydrophobicContact CB-CG2 4.4Å; C910-T915 WeakPolarHBondContact CB-O 3.39Å; C910-T915 PolarHBondContact O-N 2.84Å; R913-T915 HydrophobicContact CB-CG2 4.07Å; T915-L974 HydrophobicContact CG2-CB 4.43Å; T915-L974 HydrophobicContact CG2-CD1 4.15Å
916	S	95.6	Very high	93.6	Very high	6 Å²	6	27.7 Å²	27.7	4%	0.042	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	165.7	171.8	63.2	0	0	0	0	113.6	R758 L759 E839	R758-S916 PolarHBondContact NH1-OG 3.03Å; L759-S916 CarbonylContact O-C 3.39Å; L759-S916 WeakPolarHBondContact O-CA 3.48Å; L759-S916 VanDerWaalsContact O-CB 3.22Å; L759-S916 WeakPolarHBondContact O-CB 3.36Å; E839-S916 VanDerWaalsContact OE2-CB 3.28Å; E839-S916 WeakPolarHBondContact OE2-CB 3.39Å; E839-S916 PolarHBondContact OE2-N 3.49Å; E839-S916 PolarHBondContact OE2-OG 3.24Å
917	V	96.1	Very high	93.6	Very high	2 Å²	2	31 Å²	31	1%	0.012	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	130.9	173	175.2	0	0	0	0	107.8	L759 D921 F922 F954 L974	L759-V917 PolarHBondContact N-O 3.31Å; L759-V917 PolarHBondContact O-N 3.1Å; L759-V917 VanDerWaalsContact O-O 3.14Å; V917-D921 HydrophobicContact CG1-CB 4.09Å; V917-F922 HydrophobicContact CB-CE2 4.43Å; V917-F922 HydrophobicContact CG1-CD2 3.66Å; V917-F922 HydrophobicContact CG1-CE2 3.52Å; V917-F922 HydrophobicContact CG1-CG 4.24Å; V917-F922 HydrophobicContact CG1-CZ 3.99Å; V917-F954 HydrophobicContact CG1-CE1 4.43Å; V917-F954 HydrophobicContact CG1-CE2 3.94Å; V917-F954 HydrophobicContact CG1-CZ 3.6Å; V917-L974 HydrophobicContact CG2-CD1 3.54Å; V917-L974 HydrophobicContact CG2-CD2 3.95Å; V917-L974 HydrophobicContact CG2-CG 4.39Å
918	S	96.6	Very high	93.7	Very high	5 Å²	5	31.7 Å²	31.7	4%	0.035	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	167.1	172.7	63.4	0	0	0	0	113.4	I757 V920 D921 F922	I757-S918 CarbonylContact O-C 3.54Å; I757-S918 WeakPolarHBondContact O-CA 3.34Å; I757-S918 WeakPolarHBondContact O-CB 3.43Å; S918-V920 PolarHBondContact O-N 3.42Å; S918-D921 WeakPolarHBondContact CB-OD2 3.48Å; S918-D921 PolarHBondContact N-OD2 3.02Å; S918-D921 PolarHBondContact O-N 3.4Å; S918-D921 PolarHBondContact OG-N 3.49Å; S918-D921 PolarHBondContact OG-OD2 2.92Å; S918-F922 WeakPolarHBondContact O-CD2 3.36Å; S918-F922 PolarHBondContact O-N 3.5Å
919	M	95.3	Very high	93.8	Very high	30 Å²	30	32.6 Å²	32.6	15%	0.148	17%	0.172	C	C	.	.	H	α-helix	trans	-54	-39.8	168.7	-168.6	64	-177.1	0	0	111.8	E731 N732 F756 I757 D921 F922 S923	E731-M919 HydrophobicContact CB-CE 3.49Å; E731-M919 VanDerWaalsContact CB-CE 3.49Å; N732-M919 HydrophobicContact CB-CE 4.38Å; F756-M919 HydrophobicContact CD1-CB 3.96Å; F756-M919 HydrophobicContact CD1-CG 4.49Å; F756-M919 HydrophobicContact CD1-SD 3.89Å; F756-M919 HydrophobicContact CE1-CB 4.27Å; F756-M919 WeakPolarHBondContact O-CB 3.32Å; I757-M919 PolarHBondContact O-N 2.88Å; M919-D921 PolarHBondContact O-N 3.45Å; M919-F922 WeakPolarHBondContact O-CB 3.47Å; M919-F922 PolarHBondContact O-N 3.27Å; M919-S923 PolarHBondContact O-N 2.96Å; M919-S923 PolarHBondContact O-OG 3.18Å
920	V	94.1	Very high	94	Very high	82 Å²	82	32.3 Å²	32.3	50%	0.497	17%	0.17	S	C	.	.	H	α-helix	trans	-62.7	-42	174.9	-178.8	0	0	0	0	111.3	S918 F922 S923 V924	S918-V920 PolarHBondContact O-N 3.42Å; V920-F922 VanDerWaalsContact C-N 3.31Å; V920-F922 PolarHBondContact O-N 3.31Å; V920-S923 PolarHBondContact O-N 2.96Å; V920-V924 WeakPolarHBondContact O-CB 3.38Å; V920-V924 VanDerWaalsContact O-CG2 3.3Å; V920-V924 WeakPolarHBondContact O-CG2 3.44Å; V920-V924 PolarHBondContact O-N 3.39Å
921	D	94.8	Very high	94.2	Very high	19 Å²	19	32.5 Å²	32.5	10%	0.102	17%	0.172	C	C	.	.	H	α-helix	trans	-67.1	-33.1	177	-54.4	-53.6	0	0	0	111.1	R758 V917 S918 M919 A925 F954 S1026	R758-D921 IonicContact NH1-OD2 2.71Å; R758-D921 IonicContact NH2-OD2 2.67Å; V917-D921 HydrophobicContact CG1-CB 4.09Å; S918-D921 WeakPolarHBondContact CB-OD2 3.48Å; S918-D921 PolarHBondContact N-OD2 3.02Å; S918-D921 PolarHBondContact O-N 3.4Å; S918-D921 PolarHBondContact OG-N 3.49Å; S918-D921 PolarHBondContact OG-OD2 2.92Å; M919-D921 PolarHBondContact O-N 3.45Å; D921-A925 WeakPolarHBondContact O-CB 3.42Å; D921-A925 PolarHBondContact O-N 3.02Å; D921-F954 HydrophobicContact CB-CE1 4.36Å; D921-F954 HydrophobicContact CB-CZ 4.21Å; D921-F954 VanDerWaalsContact O-CZ 3.27Å; D921-F954 WeakPolarHBondContact O-CZ 3.41Å; D921-S1026 PolarHBondContact OD1-OG 3.48Å
922	F	94.3	Very high	94.3	Very high	39 Å²	39	31.5 Å²	31.5	17%	0.171	17%	0.17	C	C	.	.	H	α-helix	trans	-64.3	-50.5	172.2	-84	-74.1	0	0	0	112.3	F756 L759 M906 V917 S918 M919 V920 V924 A925 V926 F954	F756-F922 AromaticContact CE1-CD2 3.97Å; F756-F922 HydrophobicContact CE1-CD2 3.97Å; F756-F922 AromaticContact CE1-CE2 3.89Å; F756-F922 HydrophobicContact CE1-CE2 3.89Å; F756-F922 HydrophobicContact CZ-CE2 4.29Å; L759-F922 HydrophobicContact CD2-CE2 4.12Å; L759-F922 HydrophobicContact CD2-CZ 4.31Å; M906-F922 HydrophobicContact CB-CZ 4.27Å; M906-F922 HydrophobicContact CG-CE1 4.22Å; M906-F922 HydrophobicContact CG-CZ 4.4Å; V917-F922 HydrophobicContact CB-CE2 4.43Å; V917-F922 HydrophobicContact CG1-CD2 3.66Å; V917-F922 HydrophobicContact CG1-CE2 3.52Å; V917-F922 HydrophobicContact CG1-CG 4.24Å; V917-F922 HydrophobicContact CG1-CZ 3.99Å; S918-F922 WeakPolarHBondContact O-CD2 3.36Å; S918-F922 PolarHBondContact O-N 3.5Å; M919-F922 WeakPolarHBondContact O-CB 3.47Å; M919-F922 PolarHBondContact O-N 3.27Å; V920-F922 VanDerWaalsContact C-N 3.31Å; V920-F922 PolarHBondContact O-N 3.31Å; F922-V924 VanDerWaalsContact C-N 3.31Å; F922-V924 PolarHBondContact O-N 2.84Å; F922-A925 CarbonylContact O-C 3.49Å; F922-A925 WeakPolarHBondContact O-CB 3.39Å; F922-A925 PolarHBondContact O-N 3.41Å; F922-V926 PolarHBondContact O-N 3.12Å; F922-F954 AromaticContact CD1-CE2 3.66Å; F922-F954 HydrophobicContact CD1-CE2 3.66Å; F922-F954 HydrophobicContact CD1-CZ 4.39Å; F922-F954 AromaticContact CE1-CE2 3.84Å; F922-F954 HydrophobicContact CE1-CE2 3.84Å; F922-F954 HydrophobicContact CG-CE2 4.22Å
923	S	92.8	Very high	94.5	Very high	32 Å²	32	28.7 Å²	28.7	22%	0.224	16%	0.159	C	C	.	.	H	α-helix	trans	-61.1	-39.5	177.7	-55	0	0	0	0	111.5	E731 M919 V920 A925 V926 E927	E731-S923 PolarHBondContact OE2-OG 2.94Å; M919-S923 PolarHBondContact O-N 2.96Å; M919-S923 PolarHBondContact O-OG 3.18Å; V920-S923 PolarHBondContact O-N 2.96Å; S923-A925 VanDerWaalsContact C-N 3.33Å; S923-A925 PolarHBondContact O-N 3.5Å; S923-V926 WeakPolarHBondContact O-CB 3.38Å; S923-V926 PolarHBondContact O-N 2.95Å; S923-E927 WeakPolarHBondContact O-CB 3.3Å; S923-E927 WeakPolarHBondContact O-CG 3.37Å; S923-E927 PolarHBondContact O-N 3.31Å
924	V	92.8	Very high	94.8	Very high	35 Å²	35	26.3 Å²	26.3	21%	0.212	15%	0.15	C	C	.	.	H	α-helix	trans	-63.4	-35.5	173.2	169.4	0	0	0	0	112.2	V920 F922 N928	V920-V924 WeakPolarHBondContact O-CB 3.38Å; V920-V924 VanDerWaalsContact O-CG2 3.3Å; V920-V924 WeakPolarHBondContact O-CG2 3.44Å; V920-V924 PolarHBondContact O-N 3.39Å; F922-V924 VanDerWaalsContact C-N 3.31Å; F922-V924 PolarHBondContact O-N 2.84Å; V924-N928 WeakPolarHBondContact O-CB 3.38Å; V924-N928 PolarHBondContact O-N 3.24Å; V924-N928 PolarHBondContact O-ND2 3.12Å
925	A	92.8	Very high	94.9	Very high	4 Å²	4	26.2 Å²	26.2	3%	0.033	15%	0.146	C	C	.	.	H	α-helix	trans	-73.2	-28.4	174.7	0	0	0	0	0	113.1	D921 F922 S923 F954	D921-A925 WeakPolarHBondContact O-CB 3.42Å; D921-A925 PolarHBondContact O-N 3.02Å; F922-A925 CarbonylContact O-C 3.49Å; F922-A925 WeakPolarHBondContact O-CB 3.39Å; F922-A925 PolarHBondContact O-N 3.41Å; S923-A925 VanDerWaalsContact C-N 3.33Å; S923-A925 PolarHBondContact O-N 3.5Å; A925-F954 HydrophobicContact CB-CD1 4.11Å; A925-F954 HydrophobicContact CB-CD2 4.17Å; A925-F954 HydrophobicContact CB-CE1 3.79Å; A925-F954 HydrophobicContact CB-CE2 3.87Å; A925-F954 HydrophobicContact CB-CG 4.28Å; A925-F954 HydrophobicContact CB-CZ 3.67Å
926	V	91.3	Very high	95	Very high	26 Å²	26	26.5 Å²	26.5	16%	0.158	14%	0.144	C	C	.	.	H	α-helix	trans	-68.5	-51.8	169.7	164.8	0	0	0	0	110.3	H683 H687 F922 S923 N928 Q929	H683-V926 HydrophobicContact CB-CG1 4.09Å; H683-V926 WeakPolarHBondContact CD2-CG1 3.31Å; H683-V926 WeakPolarHBondContact NE2-CG1 3.26Å; H687-V926 PolarHBondContact CE1-O 2.84Å; H687-V926 PolarHBondContact NE2-O 3.43Å; H687-V926 VanDerWaalsContact NE2-O 3.14Å; F922-V926 PolarHBondContact O-N 3.12Å; S923-V926 WeakPolarHBondContact O-CB 3.38Å; S923-V926 PolarHBondContact O-N 2.95Å; V926-N928 PolarHBondContact O-N 2.99Å; V926-Q929 VanDerWaalsContact O-CG 3.28Å; V926-Q929 WeakPolarHBondContact O-CG 3.49Å; V926-Q929 PolarHBondContact O-N 2.89Å
927	E	91.7	Very high	94.7	Very high	82 Å²	82	28 Å²	28	38%	0.383	15%	0.15	S	C	.	.	H	α-helix	trans	-56.7	-22.4	177.1	-78.8	177.1	-166.6	0	0	113.9	I686 H687 Q690 S923	I686-E927 HydrophobicContact CG2-CG 4.29Å; H687-E927 PolarHBondContact CE1-O 2.67Å; Q690-E927 PolarHBondContact NE2-O 3.15Å; Q690-E927 PolarHBondContact OE1-O 3.39Å; S923-E927 WeakPolarHBondContact O-CB 3.3Å; S923-E927 WeakPolarHBondContact O-CG 3.37Å; S923-E927 PolarHBondContact O-N 3.31Å
928	N	94.4	Very high	94.2	Very high	20 Å²	20	31.9 Å²	31.9	11%	0.107	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	18	-176.9	-74.6	-73.2	0	0	0	114.2	V924 V926 L930 F951 V1018 S1021	V924-N928 WeakPolarHBondContact O-CB 3.38Å; V924-N928 PolarHBondContact O-N 3.24Å; V924-N928 PolarHBondContact O-ND2 3.12Å; V926-N928 PolarHBondContact O-N 2.99Å; N928-L930 PolarHBondContact O-N 2.89Å; N928-F951 HydrophobicContact CB-CE1 4.4Å; N928-F951 WeakPolarHBondContact O-CD1 3.41Å; N928-F951 VanDerWaalsContact O-CE1 3.31Å; N928-F951 WeakPolarHBondContact O-CE1 3.45Å; N928-V1018 HydrophobicContact CB-CB 3.93Å; N928-V1018 HydrophobicContact CB-CG1 4.01Å; N928-V1018 WeakPolarHBondContact O-CB 3.32Å; N928-S1021 VanDerWaalsContact CG-OG 3.28Å; N928-S1021 PolarHBondContact ND2-OG 2.81Å; N928-S1021 VanDerWaalsContact ND2-OG 3.13Å
929	Q	96	Very high	93.2	Very high	20 Å²	20	36.4 Å²	36.4	9%	0.093	19%	0.186	C	C	.	.			trans	-55.9	134.2	170.5	-65.3	168.4	33	0	0	111.2	V926 F951	V926-Q929 VanDerWaalsContact O-CG 3.28Å; V926-Q929 WeakPolarHBondContact O-CG 3.49Å; V926-Q929 PolarHBondContact O-N 2.89Å; Q929-F951 WeakPolarHBondContact CA-O 3.4Å
930	L	98	Very high	91.9	Very high	6 Å²	6	38 Å²	38	3%	0.031	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	141.9	-178.1	-175.2	61.9	0	0	0	110.6	E542 T546 N928 F951 R1014 W1015 V1018	E542-L930 HydrophobicContact CG-CD1 3.68Å; T546-L930 HydrophobicContact CG2-CD1 4.4Å; N928-L930 PolarHBondContact O-N 2.89Å; L930-F951 PolarHBondContact N-O 3.5Å; L930-F951 VanDerWaalsContact N-O 3.11Å; L930-F951 PolarHBondContact O-N 3.46Å; L930-R1014 HydrophobicContact CD1-CG 4.39Å; L930-R1014 HydrophobicContact CD2-CG 4.06Å; L930-W1015 HydrophobicContact CD2-CB 4.49Å; L930-W1015 HydrophobicContact CD2-CD2 3.52Å; L930-W1015 HydrophobicContact CD2-CE3 3.81Å; L930-W1015 HydrophobicContact CD2-CG 3.84Å; L930-W1015 HydrophobicContact CD2-CH2 4.48Å; L930-W1015 HydrophobicContact CD2-CZ2 4.24Å; L930-W1015 HydrophobicContact CD2-CZ3 4.29Å; L930-W1015 HydrophobicContact CG-CD2 4.32Å; L930-W1015 HydrophobicContact CG-CE3 4.48Å; L930-W1015 HydrophobicContact CG-CH2 4.31Å; L930-W1015 HydrophobicContact CG-CZ2 4.14Å; L930-W1015 HydrophobicContact CG-CZ3 4.49Å; L930-V1018 HydrophobicContact CB-CG1 4.37Å; L930-V1018 HydrophobicContact CB-CG2 3.94Å; L930-V1018 HydrophobicContact CD2-CG1 4.26Å; L930-V1018 HydrophobicContact CD2-CG2 3.56Å; L930-V1018 HydrophobicContact CG-CG2 4.41Å
931	S	98.3	Very high	91	Very high	5 Å²	5	35.2 Å²	35.2	4%	0.035	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	148.3	174.8	-66.2	0	0	0	0	110.8	T545 T549 V949	T545-S931 WeakPolarHBondContact CB-O 3.5Å; T545-S931 WeakPolarHBondContact O-CB 3.43Å; T545-S931 PolarHBondContact OG1-O 3.18Å; T549-S931 VanDerWaalsContact CB-OG 3.3Å; T549-S931 WeakPolarHBondContact CB-OG 3.49Å; T549-S931 WeakPolarHBondContact OG1-CB 3.5Å; T549-S931 PolarHBondContact OG1-OG 3.34Å; S931-V949 WeakPolarHBondContact CA-O 3.41Å
932	G	97.3	Very high	89.2	Confident	6 Å²	6	37.4 Å²	37.4	6%	0.062	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.9	179.9	177.5	0	0	0	0	0	114.3	V949	G932-V949 PolarHBondContact N-O 2.96Å; G932-V949 PolarHBondContact O-N 3.17Å
933	N	96.4	Very high	88.5	Confident	60 Å²	60	38 Å²	38	32%	0.321	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	131.8	174	-70.5	-84.1	0	0	0	110.4	L947	N933-L947 WeakPolarHBondContact CA-O 3.24Å
934	L	96.6	Very high	88.3	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.9	168.8	-70.1	176.2	0	0	0	110.5	L947 V949 F993 F1004 W1015	L934-L947 PolarHBondContact N-O 3.26Å; L934-L947 PolarHBondContact O-N 2.94Å; L934-V949 HydrophobicContact CB-CG2 3.89Å; L934-V949 HydrophobicContact CD1-CB 4.22Å; L934-V949 HydrophobicContact CD1-CG1 4.41Å; L934-V949 HydrophobicContact CD1-CG2 4.12Å; L934-V949 HydrophobicContact CG-CG2 4.3Å; L934-F993 HydrophobicContact CD1-CE1 4.38Å; L934-F993 HydrophobicContact CD1-CZ 4Å; L934-F993 HydrophobicContact CD2-CE1 4.27Å; L934-F1004 HydrophobicContact CB-CD1 4.25Å; L934-F1004 HydrophobicContact CD1-CB 4.36Å; L934-F1004 HydrophobicContact CD1-CD1 3.94Å; L934-F1004 HydrophobicContact CD1-CG 4.41Å; L934-W1015 HydrophobicContact CD1-CD2 3.82Å; L934-W1015 HydrophobicContact CD1-CE3 4.06Å; L934-W1015 HydrophobicContact CD1-CG 4.35Å; L934-W1015 HydrophobicContact CD1-CH2 4.19Å; L934-W1015 HydrophobicContact CD1-CZ2 3.95Å; L934-W1015 HydrophobicContact CD1-CZ3 4.22Å; L934-W1015 HydrophobicContact CD2-CD2 4.39Å; L934-W1015 HydrophobicContact CD2-CG 4.2Å; L934-W1015 HydrophobicContact CG-CD2 4.39Å; L934-W1015 HydrophobicContact CG-CZ2 4.17Å
935	L	95.3	Very high	88.2	Confident	44 Å²	44	41.8 Å²	41.8	23%	0.23	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	119.3	165.8	-73.6	164.2	0	0	0	108.3	W944 Q945 K946 F1004 R1005	L935-W944 HydrophobicContact CB-CB 4.35Å; L935-W944 HydrophobicContact CB-CD2 4.43Å; L935-W944 HydrophobicContact CB-CE3 3.85Å; L935-W944 HydrophobicContact CD2-CB 4.18Å; L935-W944 VanDerWaalsContact O-CE3 3.32Å; L935-W944 VanDerWaalsContact O-CZ3 3.31Å; L935-W944 WeakPolarHBondContact O-CZ3 3.45Å; L935-Q945 CarbonylContact C-O 3.57Å; L935-Q945 WeakPolarHBondContact CA-O 3.21Å; L935-K946 HydrophobicContact CD2-CB 3.8Å; L935-K946 HydrophobicContact CD2-CG 4.28Å; L935-F1004 CarbonylContact O-C 3.6Å; L935-F1004 VanDerWaalsContact O-CA 3.29Å; L935-F1004 WeakPolarHBondContact O-CA 3.42Å; L935-R1005 HydrophobicContact CB-CB 4.02Å; L935-R1005 HydrophobicContact CD1-CB 4.49Å; L935-R1005 HydrophobicContact CD1-CG 4.28Å; L935-R1005 PolarHBondContact N-O 2.72Å; L935-R1005 PolarHBondContact O-N 2.85Å
936	R	94.5	Very high	88.3	Confident	31 Å²	31	47.9 Å²	47.9	12%	0.117	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	135.1	179.2	-175.6	-179.9	69.7	179.1	0.8	111.7	Q945 L947 Y1003 F1004	R936-Q945 PolarHBondContact N-O 3.26Å; R936-Q945 PolarHBondContact O-N 2.83Å; R936-L947 HydrophobicContact CB-CD1 3.98Å; R936-L947 VanDerWaalsContact CZ-CD1 3.48Å; R936-Y1003 CarbonylContact C-O 3.53Å; R936-Y1003 WeakPolarHBondContact CA-O 3.43Å; R936-F1004 HydrophobicContact CB-CD1 4Å; R936-F1004 HydrophobicContact CB-CE1 3.76Å; R936-F1004 HydrophobicContact CG-CD1 4.11Å; R936-F1004 HydrophobicContact CG-CE1 3.54Å; R936-F1004 HydrophobicContact CG-CZ 3.86Å
937	K	89.4	Confident	88.6	Confident	37 Å²	37	46.7 Å²	46.7	16%	0.161	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	133.2	172	176.2	178.7	-177.3	-176.6	0	109.6	S941 W944 I987 Y1003	K937-S941 WeakPolarHBondContact CE-O 3.5Å; K937-S941 WeakPolarHBondContact CG-O 3.46Å; K937-W944 HydrophobicContact CB-CD2 3.69Å; K937-W944 HydrophobicContact CB-CE3 3.43Å; K937-W944 VanDerWaalsContact CB-CE3 3.43Å; K937-W944 HydrophobicContact CB-CG 4.36Å; K937-W944 HydrophobicContact CB-CH2 4.07Å; K937-W944 HydrophobicContact CB-CZ2 4.31Å; K937-W944 HydrophobicContact CB-CZ3 3.63Å; K937-W944 HydrophobicContact CD-CD2 4.16Å; K937-W944 HydrophobicContact CD-CH2 4.46Å; K937-W944 HydrophobicContact CD-CZ2 3.97Å; K937-I987 HydrophobicContact CD-CD1 4.49Å; K937-Y1003 PolarHBondContact N-O 2.98Å; K937-Y1003 PolarHBondContact O-N 3.45Å
938	F	86.6	Confident	88.9	Confident	85 Å²	85	43.1 Å²	43.1	37%	0.373	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	154.8	170.8	-59.5	-97.2	0	0	0	109.7	N940 S941 Y1002	F938-N940 PolarHBondContact O-N 3.29Å; F938-S941 PolarHBondContact N-OG 2.88Å; F938-S941 PolarHBondContact O-N 2.9Å; F938-S941 PolarHBondContact O-OG 2.68Å; F938-Y1002 AromaticContact CD1-CD1 3.94Å; F938-Y1002 HydrophobicContact CD1-CD1 3.94Å; F938-Y1002 AromaticContact CD1-CE1 3.9Å; F938-Y1002 HydrophobicContact CD1-CE1 3.9Å; F938-Y1002 AromaticContact CE1-CD1 3.96Å; F938-Y1002 HydrophobicContact CE1-CD1 3.96Å; F938-Y1002 AromaticContact CE1-CE1 3.62Å; F938-Y1002 HydrophobicContact CE1-CE1 3.62Å
939	K	74.8	Confident	89.1	Confident	100 Å²	100	42.2 Å²	42.2	44%	0.435	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-12.2	176.8	-177.7	159.2	-177.5	155.8	0	115.4	E985 V1001 Y1003	K939-E985 IonicContact NZ-OE1 2.81Å; K939-E985 PolarHBondContact NZ-OE1 3.18Å; K939-V1001 HydrophobicContact CB-CB 3.88Å; K939-V1001 HydrophobicContact CB-CG1 4.09Å; K939-V1001 HydrophobicContact CD-CB 3.93Å; K939-V1001 HydrophobicContact CD-CG1 3.94Å; K939-V1001 HydrophobicContact CD-CG2 4.1Å; K939-V1001 PolarHBondContact N-O 3.36Å; K939-Y1003 HydrophobicContact CB-CE2 3.88Å; K939-Y1003 HydrophobicContact CG-CE2 4.24Å
940	N	68	Low	89.2	Confident	63 Å²	63	41.4 Å²	41.4	34%	0.337	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.1	27.3	176.8	-67	-63.2	0	0	0	113.5	F322 K348 F938	F322-N940 WeakPolarHBondContact CD1-OD1 3.46Å; F322-N940 WeakPolarHBondContact CE1-ND2 3.5Å; F322-N940 WeakPolarHBondContact CZ-ND2 3.17Å; K348-N940 HydrophobicContact CD-CB 4.08Å; K348-N940 PolarHBondContact NZ-OD1 3.15Å; F938-N940 PolarHBondContact O-N 3.29Å
941	S	75.8	Confident	89.2	Confident	23 Å²	23	41.1 Å²	41.1	16%	0.161	21%	0.209	C	C	.	.			trans	-120.3	133.8	170.8	65.3	0	0	0	0	110.4	K937 F938	K937-S941 WeakPolarHBondContact CE-O 3.5Å; K937-S941 WeakPolarHBondContact CG-O 3.46Å; F938-S941 PolarHBondContact N-OG 2.88Å; F938-S941 PolarHBondContact O-N 2.9Å; F938-S941 PolarHBondContact O-OG 2.68Å
942	N	57.3	Low	89	Confident	65 Å²	65	41 Å²	41	35%	0.348	21%	0.208	S	C	.	.	S	Bend	trans	-85.1	-26.3	-172.6	-60	-4.7	0	0	0	112.2	D352 E356	D352-N942 PolarHBondContact OD2-ND2 2.71Å; E356-N942 PolarHBondContact OE1-ND2 3Å
943	G	77.9	Confident	88.7	Confident	52 Å²	52	42.5 Å²	42.5	54%	0.536	22%	0.215	S	C	.	.	S	Bend	trans	-83.7	157.8	172.1	0	0	0	0	0	115.2
944	W	88.8	Confident	88.6	Confident	60 Å²	60	39.9 Å²	39.9	23%	0.227	20%	0.2	C	C	.	.			trans	-100.7	132.7	166.9	-70.6	94.9	0	0	0	109.9	L935 K937 I987 V992 R1005	L935-W944 HydrophobicContact CB-CB 4.35Å; L935-W944 HydrophobicContact CB-CD2 4.43Å; L935-W944 HydrophobicContact CB-CE3 3.85Å; L935-W944 HydrophobicContact CD2-CB 4.18Å; L935-W944 VanDerWaalsContact O-CE3 3.32Å; L935-W944 VanDerWaalsContact O-CZ3 3.31Å; L935-W944 WeakPolarHBondContact O-CZ3 3.45Å; K937-W944 HydrophobicContact CB-CD2 3.69Å; K937-W944 HydrophobicContact CB-CE3 3.43Å; K937-W944 VanDerWaalsContact CB-CE3 3.43Å; K937-W944 HydrophobicContact CB-CG 4.36Å; K937-W944 HydrophobicContact CB-CH2 4.07Å; K937-W944 HydrophobicContact CB-CZ2 4.31Å; K937-W944 HydrophobicContact CB-CZ3 3.63Å; K937-W944 HydrophobicContact CD-CD2 4.16Å; K937-W944 HydrophobicContact CD-CH2 4.46Å; K937-W944 HydrophobicContact CD-CZ2 3.97Å; W944-I987 HydrophobicContact CZ2-CG2 4.14Å; W944-V992 HydrophobicContact CH2-CG1 3.87Å; W944-V992 HydrophobicContact CH2-CG2 3.76Å; W944-V992 HydrophobicContact CZ2-CG2 4.08Å; W944-R1005 HydrophobicContact CE3-CB 4.26Å; W944-R1005 HydrophobicContact CH2-CB 3.96Å; W944-R1005 HydrophobicContact CZ3-CB 3.78Å
945	Q	91.9	Very high	88.6	Confident	87 Å²	87	40.2 Å²	40.2	41%	0.407	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	116.3	178.1	-172.9	-176	16.8	0	0	110.1	L935 R936 L947	L935-Q945 CarbonylContact C-O 3.57Å; L935-Q945 WeakPolarHBondContact CA-O 3.21Å; R936-Q945 PolarHBondContact N-O 3.26Å; R936-Q945 PolarHBondContact O-N 2.83Å; Q945-L947 HydrophobicContact CG-CD1 4.41Å; Q945-L947 HydrophobicContact CG-CD2 4.15Å; Q945-L947 HydrophobicContact CG-CG 4.05Å
946	K	94.8	Very high	88.7	Confident	131 Å²	131	38.1 Å²	38.1	57%	0.57	19%	0.192	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	129.5	171.1	-164.3	169.8	-174.5	167.9	0	109.4	L935	L935-K946 HydrophobicContact CD2-CB 3.8Å; L935-K946 HydrophobicContact CD2-CG 4.28Å
947	L	96.3	Very high	88.9	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	147.9	-179.1	-68.2	168.8	0	0	0	109.3	N933 L934 R936 Q945 V949 F958 Y959 L968	N933-L947 WeakPolarHBondContact CA-O 3.24Å; L934-L947 PolarHBondContact N-O 3.26Å; L934-L947 PolarHBondContact O-N 2.94Å; R936-L947 HydrophobicContact CB-CD1 3.98Å; R936-L947 VanDerWaalsContact CZ-CD1 3.48Å; Q945-L947 HydrophobicContact CG-CD1 4.41Å; Q945-L947 HydrophobicContact CG-CD2 4.15Å; Q945-L947 HydrophobicContact CG-CG 4.05Å; L947-V949 HydrophobicContact CB-CG2 4.08Å; L947-F958 HydrophobicContact CD1-CB 4.27Å; L947-F958 HydrophobicContact CD1-CD1 4.02Å; L947-F958 HydrophobicContact CD1-CG 4.36Å; L947-Y959 WeakPolarHBondContact CD2-O 3.37Å; L947-L968 HydrophobicContact CD2-CD1 4.27Å
948	W	98.1	Very high	89.2	Confident	7 Å²	7	35.8 Å²	35.8	3%	0.027	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	131.7	156.7	178.9	-103.8	0	0	0	107.9	T545 R548 Y959 H962	T545-W948 HydrophobicContact CG2-CH2 3.77Å; T545-W948 HydrophobicContact CG2-CZ3 3.86Å; T545-W948 WeakPolarHBondContact O-CH2 3.31Å; T545-W948 WeakPolarHBondContact O-CZ2 3.3Å; R548-W948 HydrophobicContact CB-CZ2 4.41Å; W948-Y959 AromaticContact CD1-CD2 3.89Å; W948-Y959 PolarHBondContact N-O 3.05Å; W948-Y959 PolarHBondContact O-N 3.29Å; W948-H962 HydrophobicContact CD2-CB 3.5Å; W948-H962 VanDerWaalsContact CD2-CB 3.5Å; W948-H962 HydrophobicContact CE3-CB 3.63Å; W948-H962 HydrophobicContact CG-CB 3.96Å; W948-H962 HydrophobicContact CH2-CB 3.97Å; W948-H962 HydrophobicContact CZ2-CB 3.91Å; W948-H962 HydrophobicContact CZ3-CB 3.86Å
949	V	98.4	Very high	89.8	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.9	-176.1	-170.6	0	0	0	0	108.8	S931 G932 L934 L947 L956 F957 F958 W1015	S931-V949 WeakPolarHBondContact CA-O 3.41Å; G932-V949 PolarHBondContact N-O 2.96Å; G932-V949 PolarHBondContact O-N 3.17Å; L934-V949 HydrophobicContact CB-CG2 3.89Å; L934-V949 HydrophobicContact CD1-CB 4.22Å; L934-V949 HydrophobicContact CD1-CG1 4.41Å; L934-V949 HydrophobicContact CD1-CG2 4.12Å; L934-V949 HydrophobicContact CG-CG2 4.3Å; L947-V949 HydrophobicContact CB-CG2 4.08Å; V949-L956 HydrophobicContact CG1-CB 4.22Å; V949-L956 HydrophobicContact CG1-CD2 3.95Å; V949-L956 HydrophobicContact CG1-CG 4.48Å; V949-F957 WeakPolarHBondContact CA-O 3.3Å; V949-F958 HydrophobicContact CG1-CD1 4.14Å; V949-F958 HydrophobicContact CG1-CE1 4.08Å; V949-F958 HydrophobicContact CG2-CD1 3.99Å; V949-F958 HydrophobicContact CG2-CE1 4.36Å; V949-W1015 HydrophobicContact CB-CH2 3.99Å; V949-W1015 HydrophobicContact CB-CZ2 4.37Å; V949-W1015 HydrophobicContact CG1-CH2 3.92Å; V949-W1015 HydrophobicContact CG1-CZ3 4.31Å
950	V	98.4	Very high	90.6	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.018	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	132.2	171.9	177.3	0	0	0	0	107.9	T549 T952 L956 F957 Y959	T549-V950 HydrophobicContact CG2-CB 4.49Å; T549-V950 HydrophobicContact CG2-CG1 3.78Å; T549-V950 HydrophobicContact CG2-CG2 3.85Å; V950-T952 HydrophobicContact CG1-CG2 4.18Å; V950-L956 CarbonylContact O-C 3.57Å; V950-L956 WeakPolarHBondContact O-CA 3.2Å; V950-F957 HydrophobicContact CB-CB 4.36Å; V950-F957 PolarHBondContact N-O 2.91Å; V950-F957 PolarHBondContact O-N 3.02Å; V950-Y959 HydrophobicContact CB-CE2 4.04Å; V950-Y959 HydrophobicContact CG2-CD2 4.14Å; V950-Y959 HydrophobicContact CG2-CE2 3.62Å
951	F	97.8	Very high	91.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	117.5	171.8	174.9	-118.4	0	0	0	109.3	N928 Q929 L930 S955 L956 L973 W1015 V1018 A1022	N928-F951 HydrophobicContact CB-CE1 4.4Å; N928-F951 WeakPolarHBondContact O-CD1 3.41Å; N928-F951 VanDerWaalsContact O-CE1 3.31Å; N928-F951 WeakPolarHBondContact O-CE1 3.45Å; Q929-F951 WeakPolarHBondContact CA-O 3.4Å; L930-F951 PolarHBondContact N-O 3.5Å; L930-F951 VanDerWaalsContact N-O 3.11Å; L930-F951 PolarHBondContact O-N 3.46Å; F951-S955 WeakPolarHBondContact CA-O 3.47Å; F951-S955 WeakPolarHBondContact CD2-O 3.42Å; F951-L956 HydrophobicContact CB-CD2 3.79Å; F951-L956 HydrophobicContact CD2-CD2 3.83Å; F951-L956 HydrophobicContact CG-CD2 4.13Å; F951-L973 HydrophobicContact CD2-CD1 3.87Å; F951-L973 HydrophobicContact CE2-CD1 3.57Å; F951-W1015 HydrophobicContact CB-CH2 4.31Å; F951-W1015 HydrophobicContact CB-CZ3 3.82Å; F951-V1018 HydrophobicContact CD1-CB 4.03Å; F951-V1018 HydrophobicContact CD1-CG2 3.76Å; F951-V1018 HydrophobicContact CE1-CB 3.94Å; F951-V1018 HydrophobicContact CE1-CG2 4.09Å; F951-V1018 VanDerWaalsContact CE1-O 3.29Å; F951-V1018 WeakPolarHBondContact CE1-O 3.38Å; F951-A1022 HydrophobicContact CE2-CB 4.23Å; F951-A1022 HydrophobicContact CZ-CB 3.56Å
952	T	95.6	Very high	92.7	Very high	4 Å²	4	35.9 Å²	35.9	3%	0.025	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	157.8	176.4	-174.8	0	0	0	0	109	Y671 I672 V950 F954 S955 F957	Y671-T952 HydrophobicContact CE2-CG2 3.91Å; I672-T952 HydrophobicContact CG2-CG2 4.44Å; V950-T952 HydrophobicContact CG1-CG2 4.18Å; T952-F954 PolarHBondContact O-N 3.02Å; T952-S955 PolarHBondContact N-O 3.37Å; T952-S955 VanDerWaalsContact N-O 3.16Å; T952-S955 PolarHBondContact O-N 3.15Å; T952-F957 HydrophobicContact CG2-CD2 4.05Å; T952-F957 HydrophobicContact CG2-CE2 3.76Å
953	N	91.2	Very high	94.4	Very high	37 Å²	37	39.2 Å²	39.2	20%	0.198	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.3	56.1	178.9	-163.9	8.3	0	0	0	113.3	I672 M906 S955	I672-N953 HydrophobicContact CG2-CB 4.45Å; M906-N953 WeakPolarHBondContact CG-OD1 3.49Å; N953-S955 WeakPolarHBondContact O-CB 3.41Å; N953-S955 PolarHBondContact O-N 3.13Å; N953-S955 PolarHBondContact O-OG 3.48Å
954	F	94.4	Very high	95.1	Very high	4 Å²	4	39 Å²	39	2%	0.018	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	19	-177.6	-51.6	-93.8	0	0	0	115.7	M906 V917 D921 F922 A925 T952 L973 L974 A1022	M906-F954 HydrophobicContact CE-CB 3.66Å; M906-F954 HydrophobicContact CE-CD2 3.63Å; M906-F954 HydrophobicContact CE-CE2 4.47Å; M906-F954 HydrophobicContact CE-CG 3.79Å; M906-F954 HydrophobicContact CG-CD2 4.27Å; M906-F954 HydrophobicContact SD-CB 4.24Å; M906-F954 HydrophobicContact SD-CD2 4.09Å; V917-F954 HydrophobicContact CG1-CE1 4.43Å; V917-F954 HydrophobicContact CG1-CE2 3.94Å; V917-F954 HydrophobicContact CG1-CZ 3.6Å; D921-F954 HydrophobicContact CB-CE1 4.36Å; D921-F954 HydrophobicContact CB-CZ 4.21Å; D921-F954 VanDerWaalsContact O-CZ 3.27Å; D921-F954 WeakPolarHBondContact O-CZ 3.41Å; F922-F954 AromaticContact CD1-CE2 3.66Å; F922-F954 HydrophobicContact CD1-CE2 3.66Å; F922-F954 HydrophobicContact CD1-CZ 4.39Å; F922-F954 AromaticContact CE1-CE2 3.84Å; F922-F954 HydrophobicContact CE1-CE2 3.84Å; F922-F954 HydrophobicContact CG-CE2 4.22Å; A925-F954 HydrophobicContact CB-CD1 4.11Å; A925-F954 HydrophobicContact CB-CD2 4.17Å; A925-F954 HydrophobicContact CB-CE1 3.79Å; A925-F954 HydrophobicContact CB-CE2 3.87Å; A925-F954 HydrophobicContact CB-CG 4.28Å; A925-F954 HydrophobicContact CB-CZ 3.67Å; T952-F954 PolarHBondContact O-N 3.02Å; F954-L973 VanDerWaalsContact O-CB 3.26Å; F954-L973 WeakPolarHBondContact O-CB 3.19Å; F954-L973 WeakPolarHBondContact O-CG 3.1Å; F954-L973 PolarHBondContact O-N 3.33Å; F954-L974 HydrophobicContact CB-CD2 4.42Å; F954-L974 HydrophobicContact CB-CG 4.43Å; F954-L974 HydrophobicContact CD1-CD2 3.63Å; F954-L974 HydrophobicContact CD1-CG 4.49Å; F954-L974 HydrophobicContact CE1-CD2 4.12Å; F954-L974 HydrophobicContact CG-CD2 4.15Å; F954-A1022 HydrophobicContact CD1-CB 3.85Å
955	S	95.6	Very high	95.2	Very high	9 Å²	9	40.4 Å²	40.4	6%	0.063	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	140	-166.3	-59.9	0	0	0	0	112.6	F951 T952 N953 L971 P972	F951-S955 WeakPolarHBondContact CA-O 3.47Å; F951-S955 WeakPolarHBondContact CD2-O 3.42Å; T952-S955 PolarHBondContact N-O 3.37Å; T952-S955 VanDerWaalsContact N-O 3.16Å; T952-S955 PolarHBondContact O-N 3.15Å; N953-S955 WeakPolarHBondContact O-CB 3.41Å; N953-S955 PolarHBondContact O-N 3.13Å; N953-S955 PolarHBondContact O-OG 3.48Å; S955-L971 WeakPolarHBondContact CA-O 3.49Å; S955-P972 WeakPolarHBondContact OG-CA 3.49Å
956	L	97.3	Very high	95.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	128.5	166.3	-61	179.1	0	0	0	109.8	V949 V950 F951 F958 S970 L971 L973 L995 F1004 W1015 I1019	V949-L956 HydrophobicContact CG1-CB 4.22Å; V949-L956 HydrophobicContact CG1-CD2 3.95Å; V949-L956 HydrophobicContact CG1-CG 4.48Å; V950-L956 CarbonylContact O-C 3.57Å; V950-L956 WeakPolarHBondContact O-CA 3.2Å; F951-L956 HydrophobicContact CB-CD2 3.79Å; F951-L956 HydrophobicContact CD2-CD2 3.83Å; F951-L956 HydrophobicContact CG-CD2 4.13Å; L956-F958 HydrophobicContact CB-CE1 3.99Å; L956-F958 HydrophobicContact CB-CE2 4.35Å; L956-F958 HydrophobicContact CB-CZ 3.71Å; L956-F958 HydrophobicContact CD1-CE1 4.26Å; L956-F958 HydrophobicContact CD1-CZ 4.13Å; L956-S970 CarbonylContact O-C 3.58Å; L956-S970 WeakPolarHBondContact O-CA 3.3Å; L956-L971 HydrophobicContact CB-CB 4.42Å; L956-L971 PolarHBondContact N-O 2.68Å; L956-L971 PolarHBondContact O-N 3.33Å; L956-L973 HydrophobicContact CD1-CD1 4.48Å; L956-L973 HydrophobicContact CD1-CD2 4.24Å; L956-L973 HydrophobicContact CD2-CD1 4.16Å; L956-L973 HydrophobicContact CG-CD1 3.83Å; L956-L973 HydrophobicContact CG-CD2 4.11Å; L956-L973 HydrophobicContact CG-CG 4.34Å; L956-L995 HydrophobicContact CD1-CD1 3.78Å; L956-F1004 HydrophobicContact CD1-CE2 4.25Å; L956-F1004 HydrophobicContact CD1-CZ 3.99Å; L956-W1015 HydrophobicContact CD2-CZ3 3.96Å; L956-I1019 HydrophobicContact CD2-CD1 4.26Å
957	F	97.8	Very high	95.2	Very high	14 Å²	14	36.5 Å²	36.5	6%	0.061	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131.1	171.8	-61.5	-91.2	0	0	0	108.9	Y671 I672 V949 V950 T952 Y959 P967	Y671-F957 AromaticContact CD2-CD1 3.73Å; Y671-F957 HydrophobicContact CD2-CD1 3.73Å; Y671-F957 HydrophobicContact CD2-CD2 4.09Å; Y671-F957 AromaticContact CD2-CE1 3.71Å; Y671-F957 HydrophobicContact CD2-CE1 3.71Å; Y671-F957 HydrophobicContact CD2-CE2 4.08Å; Y671-F957 AromaticContact CD2-CG 3.92Å; Y671-F957 HydrophobicContact CD2-CG 3.92Å; Y671-F957 AromaticContact CD2-CZ 3.89Å; Y671-F957 HydrophobicContact CD2-CZ 3.89Å; Y671-F957 HydrophobicContact CE2-CD2 4.1Å; Y671-F957 HydrophobicContact CE2-CE2 4.18Å; Y671-F957 HydrophobicContact CE2-CG 4.27Å; Y671-F957 HydrophobicContact CE2-CZ 4.42Å; Y671-F957 WeakPolarHBondContact O-CE1 3.43Å; I672-F957 HydrophobicContact CG2-CE2 4.24Å; I672-F957 HydrophobicContact CG2-CZ 3.84Å; V949-F957 WeakPolarHBondContact CA-O 3.3Å; V950-F957 HydrophobicContact CB-CB 4.36Å; V950-F957 PolarHBondContact N-O 2.91Å; V950-F957 PolarHBondContact O-N 3.02Å; T952-F957 HydrophobicContact CG2-CD2 4.05Å; T952-F957 HydrophobicContact CG2-CE2 3.76Å; F957-Y959 HydrophobicContact CB-CE2 3.77Å; F957-P967 HydrophobicContact CB-CB 4.11Å; F957-P967 HydrophobicContact CD1-CB 4.41Å; F957-P967 HydrophobicContact CD1-CG 4.1Å
958	F	97.6	Very high	95.1	Very high	5 Å²	5	41.5 Å²	41.5	2%	0.022	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	125.1	-172.7	-54.6	-70.1	0	0	0	111.2	L947 V949 L956 P967 L968 A969 L971 F1004	L947-F958 HydrophobicContact CD1-CB 4.27Å; L947-F958 HydrophobicContact CD1-CD1 4.02Å; L947-F958 HydrophobicContact CD1-CG 4.36Å; V949-F958 HydrophobicContact CG1-CD1 4.14Å; V949-F958 HydrophobicContact CG1-CE1 4.08Å; V949-F958 HydrophobicContact CG2-CD1 3.99Å; V949-F958 HydrophobicContact CG2-CE1 4.36Å; L956-F958 HydrophobicContact CB-CE1 3.99Å; L956-F958 HydrophobicContact CB-CE2 4.35Å; L956-F958 HydrophobicContact CB-CZ 3.71Å; L956-F958 HydrophobicContact CD1-CE1 4.26Å; L956-F958 HydrophobicContact CD1-CZ 4.13Å; F958-P967 CarbonylContact O-C 3.58Å; F958-P967 WeakPolarHBondContact O-CA 3.34Å; F958-L968 WeakPolarHBondContact O-CB 3.46Å; F958-L968 PolarHBondContact O-N 2.97Å; F958-A969 HydrophobicContact CD2-CB 4.21Å; F958-A969 WeakPolarHBondContact CD2-O 3.39Å; F958-A969 PolarHBondContact N-O 2.67Å; F958-L971 HydrophobicContact CE2-CB 3.77Å; F958-L971 HydrophobicContact CZ-CB 4.07Å; F958-L971 HydrophobicContact CZ-CD2 4.25Å; F958-F1004 AromaticContact CE1-CE1 3.73Å; F958-F1004 HydrophobicContact CE1-CE1 3.73Å; F958-F1004 AromaticContact CE1-CZ 3.81Å; F958-F1004 HydrophobicContact CE1-CZ 3.81Å; F958-F1004 HydrophobicContact CZ-CE1 4.36Å; F958-F1004 AromaticContact CZ-CZ 3.97Å; F958-F1004 HydrophobicContact CZ-CZ 3.97Å
959	Y	97.6	Very high	94.8	Very high	14 Å²	14	43.4 Å²	43.4	6%	0.055	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	156	177.6	-54.5	-112.8	0	0	0	109.1	L947 W948 V950 F957 S961 D964 Y966 P967	L947-Y959 WeakPolarHBondContact CD2-O 3.37Å; W948-Y959 AromaticContact CD1-CD2 3.89Å; W948-Y959 PolarHBondContact N-O 3.05Å; W948-Y959 PolarHBondContact O-N 3.29Å; V950-Y959 HydrophobicContact CB-CE2 4.04Å; V950-Y959 HydrophobicContact CG2-CD2 4.14Å; V950-Y959 HydrophobicContact CG2-CE2 3.62Å; F957-Y959 HydrophobicContact CB-CE2 3.77Å; Y959-S961 WeakPolarHBondContact CB-O 3.5Å; Y959-D964 HydrophobicContact CD1-CB 4.08Å; Y959-Y966 WeakPolarHBondContact CD1-O 3.39Å; Y959-P967 HydrophobicContact CD1-CB 4.36Å; Y959-P967 HydrophobicContact CD2-CB 4.31Å; Y959-P967 HydrophobicContact CE1-CB 4.05Å; Y959-P967 HydrophobicContact CE1-CG 4.47Å; Y959-P967 HydrophobicContact CE2-CB 3.95Å; Y959-P967 HydrophobicContact CG-CB 4.49Å
960	K	92.9	Very high	94.7	Very high	169 Å²	169	46.7 Å²	46.7	74%	0.735	24%	0.243	S	C	*	.	S	Bend	trans	-75.4	-37.6	175.6	-173.6	-171.3	175.3	-170.2	0	110.6	D964 L968	K960-D964 VanDerWaalsContact CA-OD2 3.27Å; K960-D964 WeakPolarHBondContact CA-OD2 3.49Å; K960-D964 WeakPolarHBondContact CB-OD2 3.36Å; K960-D964 PolarHBondContact N-OD2 3.38Å; K960-L968 HydrophobicContact CB-CD1 4.18Å
961	S	94.4	Very high	94.5	Very high	37 Å²	37	47.1 Å²	47.1	26%	0.259	25%	0.245	S	C	.	.	S	Bend	trans	-136.7	165	177.6	-171.2	0	0	0	0	110.9	Y959 Q963 D964	Y959-S961 WeakPolarHBondContact CB-O 3.5Å; S961-Q963 PolarHBondContact O-N 2.98Å; S961-Q963 PolarHBondContact OG-N 2.73Å; S961-D964 WeakPolarHBondContact CB-OD1 3.46Å; S961-D964 PolarHBondContact N-OD2 3.34Å
962	H	92.8	Very high	94.3	Very high	54 Å²	54	48.7 Å²	48.7	25%	0.25	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	1.4	169.4	77.1	78.4	0	0	0	113.2	R548 W948	R548-H962 PolarHBondContact NH1-NE2 2.97Å; W948-H962 HydrophobicContact CD2-CB 3.5Å; W948-H962 VanDerWaalsContact CD2-CB 3.5Å; W948-H962 HydrophobicContact CE3-CB 3.63Å; W948-H962 HydrophobicContact CG-CB 3.96Å; W948-H962 HydrophobicContact CH2-CB 3.97Å; W948-H962 HydrophobicContact CZ2-CB 3.91Å; W948-H962 HydrophobicContact CZ3-CB 3.86Å
963	Q	93.1	Very high	94.3	Very high	135 Å²	135	48.5 Å²	48.5	63%	0.631	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-9.8	178.9	-64.7	177.3	-20.7	0	0	112.3	S961	S961-Q963 PolarHBondContact O-N 2.98Å; S961-Q963 PolarHBondContact OG-N 2.73Å
964	D	93.3	Very high	94.3	Very high	46 Å²	46	47.4 Å²	47.4	25%	0.246	25%	0.248	C	C	.	.			trans	-73.8	133.6	-178	-55.2	-17.2	0	0	0	110.7	Y959 K960 S961 Y966	Y959-D964 HydrophobicContact CD1-CB 4.08Å; K960-D964 VanDerWaalsContact CA-OD2 3.27Å; K960-D964 WeakPolarHBondContact CA-OD2 3.49Å; K960-D964 WeakPolarHBondContact CB-OD2 3.36Å; K960-D964 PolarHBondContact N-OD2 3.38Å; S961-D964 WeakPolarHBondContact CB-OD1 3.46Å; S961-D964 PolarHBondContact N-OD2 3.34Å; D964-Y966 VanDerWaalsContact C-N 3.31Å; D964-Y966 PolarHBondContact O-N 3.45Å
965	D	89.8	Confident	93.9	Very high	90 Å²	90	49.3 Å²	49.3	48%	0.481	27%	0.269	S	S	.	.	S	Bend	trans	-78.3	-10.8	-176.5	-48.7	-65.2	0	0	0	114.5	K552	K552-D965 IonicContact NZ-OD1 2.71Å; K552-D965 PolarHBondContact NZ-OD1 3.26Å
966	Y	91.9	Very high	93.8	Very high	113 Å²	113	49.4 Å²	49.4	44%	0.443	27%	0.268	S	S	.	.	S	Bend	trans	-150	149.5	-178.7	60.9	-93.5	0	0	0	113	K668 Y959 D964	K668-Y966 HydrophobicContact CB-CD2 4.05Å; K668-Y966 HydrophobicContact CB-CG 3.9Å; K668-Y966 HydrophobicContact CD-CD2 3.82Å; K668-Y966 HydrophobicContact CD-CE2 3.94Å; K668-Y966 HydrophobicContact CD-CG 4.39Å; K668-Y966 VanDerWaalsContact O-CB 3.32Å; K668-Y966 WeakPolarHBondContact O-CB 3.38Å; Y959-Y966 WeakPolarHBondContact CD1-O 3.39Å; D964-Y966 VanDerWaalsContact C-N 3.31Å; D964-Y966 PolarHBondContact O-N 3.45Å
967	P	95.3	Very high	93.4	Very high	24 Å²	24	51.6 Å²	51.6	16%	0.156	28%	0.283	C	S	.	.			trans	-74.7	147.3	-178.7	28.8	-33.6	0	0	0	112.9	Y671 F957 F958 Y959	Y671-P967 HydrophobicContact CG-CG 4.45Å; F957-P967 HydrophobicContact CB-CB 4.11Å; F957-P967 HydrophobicContact CD1-CB 4.41Å; F957-P967 HydrophobicContact CD1-CG 4.1Å; F958-P967 CarbonylContact O-C 3.58Å; F958-P967 WeakPolarHBondContact O-CA 3.34Å; Y959-P967 HydrophobicContact CD1-CB 4.36Å; Y959-P967 HydrophobicContact CD2-CB 4.31Å; Y959-P967 HydrophobicContact CE1-CB 4.05Å; Y959-P967 HydrophobicContact CE1-CG 4.47Å; Y959-P967 HydrophobicContact CE2-CB 3.95Å; Y959-P967 HydrophobicContact CG-CB 4.49Å
968	L	93.3	Very high	93.3	Very high	106 Å²	106	51.8 Å²	51.8	56%	0.555	29%	0.285	S	S	*	.	S	Bend	trans	-69.9	-34.9	171.2	-54.6	174.4	0	0	0	112.2	L947 F958 K960	L947-L968 HydrophobicContact CD2-CD1 4.27Å; F958-L968 WeakPolarHBondContact O-CB 3.46Å; F958-L968 PolarHBondContact O-N 2.97Å; K960-L968 HydrophobicContact CB-CD1 4.18Å
969	A	93.4	Very high	93.1	Very high	48 Å²	48	53.9 Å²	53.9	40%	0.397	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	161.6	-178.5	0	0	0	0	0	110.9	F958	F958-A969 HydrophobicContact CD2-CB 4.21Å; F958-A969 WeakPolarHBondContact CD2-O 3.39Å; F958-A969 PolarHBondContact N-O 2.67Å
970	S	94.5	Very high	92.8	Very high	69 Å²	69	57.3 Å²	57.3	48%	0.483	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	162.5	170.5	64.3	0	0	0	0	112.5	L956	L956-S970 CarbonylContact O-C 3.58Å; L956-S970 WeakPolarHBondContact O-CA 3.3Å
971	L	94.9	Very high	92.7	Very high	12 Å²	12	50.4 Å²	50.4	6%	0.063	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	97.3	177.4	-179.8	67.6	0	0	0	110	S955 L956 F958 L973 Y976 Y1002	S955-L971 WeakPolarHBondContact CA-O 3.49Å; L956-L971 HydrophobicContact CB-CB 4.42Å; L956-L971 PolarHBondContact N-O 2.68Å; L956-L971 PolarHBondContact O-N 3.33Å; F958-L971 HydrophobicContact CE2-CB 3.77Å; F958-L971 HydrophobicContact CZ-CB 4.07Å; F958-L971 HydrophobicContact CZ-CD2 4.25Å; L971-L973 HydrophobicContact CD2-CD2 4.21Å; L971-L973 HydrophobicContact CG-CD2 4.1Å; L971-L973 WeakPolarHBondContact O-CD2 3.41Å; L971-Y976 HydrophobicContact CD1-CE2 4.37Å; L971-Y1002 HydrophobicContact CD1-CE2 4.04Å; L971-Y1002 HydrophobicContact CD2-CD2 4.06Å; L971-Y1002 HydrophobicContact CD2-CE1 4.34Å; L971-Y1002 HydrophobicContact CD2-CE2 3.9Å; L971-Y1002 HydrophobicContact CD2-CG 4.38Å
972	P	94.6	Very high	92.3	Very high	33 Å²	33	50.9 Å²	50.9	21%	0.214	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	135.4	174.7	-19.6	32.1	0	0	0	111.3	V909 R913 S955 Y976	V909-P972 HydrophobicContact CG1-CB 4.21Å; V909-P972 HydrophobicContact CG2-CB 3.93Å; V909-P972 HydrophobicContact CG2-CG 4.24Å; R913-P972 VanDerWaalsContact CZ-O 3.26Å; R913-P972 PolarHBondContact NH1-O 2.83Å; R913-P972 PolarHBondContact NH2-O 3.42Å; S955-P972 WeakPolarHBondContact OG-CA 3.49Å; P972-Y976 WeakPolarHBondContact O-CE2 3.08Å
973	L	94	Very high	91.6	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.33	C	S	.	.			trans	-102.4	-14.4	-163.7	-57.8	178.4	0	0	0	115.5	F951 F954 L956 L971 G975 Y976 L995 I1019 T1023	F951-L973 HydrophobicContact CD2-CD1 3.87Å; F951-L973 HydrophobicContact CE2-CD1 3.57Å; F954-L973 VanDerWaalsContact O-CB 3.26Å; F954-L973 WeakPolarHBondContact O-CB 3.19Å; F954-L973 WeakPolarHBondContact O-CG 3.1Å; F954-L973 PolarHBondContact O-N 3.33Å; L956-L973 HydrophobicContact CD1-CD1 4.48Å; L956-L973 HydrophobicContact CD1-CD2 4.24Å; L956-L973 HydrophobicContact CD2-CD1 4.16Å; L956-L973 HydrophobicContact CG-CD1 3.83Å; L956-L973 HydrophobicContact CG-CD2 4.11Å; L956-L973 HydrophobicContact CG-CG 4.34Å; L971-L973 HydrophobicContact CD2-CD2 4.21Å; L971-L973 HydrophobicContact CG-CD2 4.1Å; L971-L973 WeakPolarHBondContact O-CD2 3.41Å; L973-G975 PolarHBondContact O-N 2.82Å; L973-G975 VanDerWaalsContact O-N 3.11Å; L973-Y976 VanDerWaalsContact O-CB 3.26Å; L973-Y976 WeakPolarHBondContact O-CB 3.24Å; L973-Y976 WeakPolarHBondContact O-CD2 3.36Å; L973-Y976 PolarHBondContact O-N 3.35Å; L973-L995 HydrophobicContact CD2-CD1 4.05Å; L973-I1019 HydrophobicContact CD1-CG1 4.32Å; L973-I1019 HydrophobicContact CD1-CG2 3.72Å; L973-T1023 HydrophobicContact CB-CG2 3.97Å
974	L	91.1	Very high	91	Very high	13 Å²	13	57.3 Å²	57.3	7%	0.068	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	120.4	-178.5	-69.6	-177.9	0	0	0	113.2	M906 V909 R913 T915 V917 F954 Y976	M906-L974 HydrophobicContact CE-CD1 3.34Å; M906-L974 HydrophobicContact CE-CD2 4.45Å; M906-L974 HydrophobicContact CE-CG 3.7Å; V909-L974 HydrophobicContact CB-CD1 4.45Å; V909-L974 HydrophobicContact CG1-CB 4.11Å; V909-L974 HydrophobicContact CG1-CD1 3.94Å; V909-L974 HydrophobicContact CG1-CG 4.34Å; R913-L974 WeakPolarHBondContact CD-O 3.44Å; R913-L974 PolarHBondContact NH1-O 3.07Å; T915-L974 HydrophobicContact CG2-CB 4.43Å; T915-L974 HydrophobicContact CG2-CD1 4.15Å; V917-L974 HydrophobicContact CG2-CD1 3.54Å; V917-L974 HydrophobicContact CG2-CD2 3.95Å; V917-L974 HydrophobicContact CG2-CG 4.39Å; F954-L974 HydrophobicContact CB-CD2 4.42Å; F954-L974 HydrophobicContact CB-CG 4.43Å; F954-L974 HydrophobicContact CD1-CD2 3.63Å; F954-L974 HydrophobicContact CD1-CG 4.49Å; F954-L974 HydrophobicContact CE1-CD2 4.12Å; F954-L974 HydrophobicContact CG-CD2 4.15Å; L974-Y976 VanDerWaalsContact C-N 3.29Å; L974-Y976 PolarHBondContact O-N 3.36Å
975	G	87.6	Confident	90.3	Very high	45 Å²	45	56.8 Å²	56.8	46%	0.464	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	2.3	-179	0	0	0	0	0	116.1	L973 F997	L973-G975 PolarHBondContact O-N 2.82Å; L973-G975 VanDerWaalsContact O-N 3.11Å; G975-F997 WeakPolarHBondContact O-CD2 3.43Å
976	Y	92.8	Very high	89.6	Confident	11 Å²	11	57.8 Å²	57.8	4%	0.043	34%	0.335	C	S	.	.			trans	-65.5	156.9	155.6	-81.7	-104.9	0	0	0	109.5	L971 P972 L973 L974 L995 H996 F997 H1000 Y1002 T1023	L971-Y976 HydrophobicContact CD1-CE2 4.37Å; P972-Y976 WeakPolarHBondContact O-CE2 3.08Å; L973-Y976 VanDerWaalsContact O-CB 3.26Å; L973-Y976 WeakPolarHBondContact O-CB 3.24Å; L973-Y976 WeakPolarHBondContact O-CD2 3.36Å; L973-Y976 PolarHBondContact O-N 3.35Å; L974-Y976 VanDerWaalsContact C-N 3.29Å; L974-Y976 PolarHBondContact O-N 3.36Å; Y976-L995 HydrophobicContact CD1-CB 4.06Å; Y976-H996 CarbonylContact C-O 3.57Å; Y976-H996 VanDerWaalsContact CA-O 3.31Å; Y976-H996 WeakPolarHBondContact CA-O 3.39Å; Y976-F997 HydrophobicContact CD1-CB 3.52Å; Y976-F997 HydrophobicContact CD2-CB 3.66Å; Y976-F997 HydrophobicContact CD2-CD1 4.35Å; Y976-F997 HydrophobicContact CD2-CG 4.04Å; Y976-F997 HydrophobicContact CE1-CB 3.46Å; Y976-F997 VanDerWaalsContact CE1-CB 3.46Å; Y976-F997 HydrophobicContact CE2-CB 3.62Å; Y976-F997 AromaticContact CE2-CD1 3.85Å; Y976-F997 HydrophobicContact CE2-CD1 3.85Å; Y976-F997 AromaticContact CE2-CG 3.94Å; Y976-F997 HydrophobicContact CE2-CG 3.94Å; Y976-F997 HydrophobicContact CG-CB 3.61Å; Y976-F997 HydrophobicContact CG-CG 4.42Å; Y976-F997 VanDerWaalsContact CZ-CB 3.5Å; Y976-H1000 HydrophobicContact CE1-CB 4.39Å; Y976-Y1002 HydrophobicContact CE1-CD2 4.02Å; Y976-Y1002 AromaticContact CE1-CE2 3.82Å; Y976-Y1002 HydrophobicContact CE1-CE2 3.82Å; Y976-T1023 WeakPolarHBondContact O-CB 3.42Å; Y976-T1023 WeakPolarHBondContact O-CG2 3.4Å
977	S	89.9	Confident	89.2	Confident	45 Å²	45	53.8 Å²	53.8	32%	0.315	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127.7	175.6	30.9	0	0	0	0	111.1	H996	S977-H996 VanDerWaalsContact CB-CE1 3.5Å; S977-H996 WeakPolarHBondContact CB-CE1 3.34Å; S977-H996 PolarHBondContact N-O 3.35Å; S977-H996 PolarHBondContact O-N 2.59Å; S977-H996 VanDerWaalsContact O-N 3.13Å; S977-H996 PolarHBondContact O-ND1 3.46Å; S977-H996 PolarHBondContact OG-CD2 3.07Å; S977-H996 VanDerWaalsContact OG-CD2 3.24Å; S977-H996 PolarHBondContact OG-CE1 3.25Å; S977-H996 PolarHBondContact OG-ND1 2.96Å; S977-H996 PolarHBondContact OG-NE2 3.28Å; S977-H996 PolarHBondContact OG-O 2.67Å
978	V	94.2	Very high	88.3	Confident	18 Å²	18	60.4 Å²	60.4	11%	0.109	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	121.8	178.8	-166.5	0	0	0	0	109.8	F993 L995 M1016 I1019 R1020 T1023	V978-F993 HydrophobicContact CG1-CD2 4.4Å; V978-L995 HydrophobicContact CB-CD2 4.23Å; V978-L995 HydrophobicContact CG1-CD2 4.07Å; V978-L995 HydrophobicContact CG2-CD2 3.8Å; V978-M1016 HydrophobicContact CG1-CB 4.29Å; V978-M1016 HydrophobicContact CG1-CG 3.98Å; V978-I1019 HydrophobicContact CG2-CB 4.02Å; V978-I1019 HydrophobicContact CG2-CG2 3.47Å; V978-I1019 VanDerWaalsContact CG2-CG2 3.47Å; V978-R1020 HydrophobicContact CB-CG 4.03Å; V978-R1020 HydrophobicContact CG1-CG 4.48Å; V978-R1020 HydrophobicContact CG2-CG 4.12Å; V978-T1023 HydrophobicContact CG2-CG2 4.37Å; V978-T1023 WeakPolarHBondContact CG2-OG1 3.31Å
979	T	93.1	Very high	87.8	Confident	50 Å²	50	58.2 Å²	58.2	31%	0.307	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	165.4	-179.6	43.7	0	0	0	0	110.7	K994 H996	T979-K994 PolarHBondContact N-O 3.15Å; T979-K994 WeakPolarHBondContact O-CA 3.3Å; T979-K994 WeakPolarHBondContact O-CB 3.22Å; T979-K994 PolarHBondContact O-N 3.35Å; T979-K994 PolarHBondContact OG1-O 2.88Å; T979-H996 PolarHBondContact OG1-ND1 3.04Å
980	V	93.1	Very high	87.6	Confident	86 Å²	86	61.1 Å²	61.1	52%	0.521	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-83.6	146.7	162.5	-175.8	0	0	0	0	107.7	F1012 M1016	V980-F1012 HydrophobicContact CG2-CZ 4.18Å; V980-M1016 HydrophobicContact CG2-SD 4.43Å
981	P	90.6	Very high	87.6	Confident	24 Å²	24	62 Å²	62	16%	0.156	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-55.8	144.1	171.1	-23.2	32.9	0	0	0	111.8	I987 V992 K994 Y1003	P981-I987 HydrophobicContact CB-CB 4.08Å; P981-I987 HydrophobicContact CB-CG1 4.01Å; P981-I987 HydrophobicContact CG-CB 4.29Å; P981-I987 HydrophobicContact CG-CG1 4.33Å; P981-I987 HydrophobicContact CG-CG2 4.27Å; P981-V992 WeakPolarHBondContact CD-O 3.48Å; P981-V992 HydrophobicContact CG-CB 4.09Å; P981-V992 HydrophobicContact CG-CG1 3.59Å; P981-K994 HydrophobicContact CG-CB 4.43Å; P981-Y1003 HydrophobicContact CB-CD1 4.46Å; P981-Y1003 HydrophobicContact CB-CE1 4.01Å; P981-Y1003 HydrophobicContact CG-CD1 3.84Å; P981-Y1003 HydrophobicContact CG-CE1 3.89Å
982	A	85.8	Confident	87.6	Confident	47 Å²	47	61.9 Å²	61.9	39%	0.388	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-79.7	152.3	169.6	0	0	0	0	0	110.3	N984 E985	A982-N984 WeakPolarHBondContact CB-OD1 3.34Å; A982-N984 PolarHBondContact O-N 3.1Å; A982-N984 VanDerWaalsContact O-N 3.12Å; A982-E985 HydrophobicContact CB-CG 4.46Å; A982-E985 PolarHBondContact N-OE2 3.15Å; A982-E985 WeakPolarHBondContact O-CB 3.41Å; A982-E985 PolarHBondContact O-N 2.83Å
983	E	77.8	Confident	87.7	Confident	190 Å²	190	60.3 Å²	60.3	89%	0.888	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-51.9	-38.1	179.8	-61.4	176.9	166.2	0	0	112.4	E985 N986	E983-E985 PolarHBondContact O-N 3.13Å; E983-N986 PolarHBondContact O-N 3.24Å
984	N	79.2	Confident	87.7	Confident	134 Å²	134	61.7 Å²	61.7	72%	0.717	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-73.3	1.6	178.9	69	7.4	0	0	0	115.3	A982	A982-N984 WeakPolarHBondContact CB-OD1 3.34Å; A982-N984 PolarHBondContact O-N 3.1Å; A982-N984 VanDerWaalsContact O-N 3.12Å
985	E	79.6	Confident	87.9	Confident	34 Å²	34	61 Å²	61	16%	0.159	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-96.1	3.5	173	-61.4	-172.9	119.9	0	0	112.8	K939 A982 E983 I987 K994 Y1003	K939-E985 IonicContact NZ-OE1 2.81Å; K939-E985 PolarHBondContact NZ-OE1 3.18Å; A982-E985 HydrophobicContact CB-CG 4.46Å; A982-E985 PolarHBondContact N-OE2 3.15Å; A982-E985 WeakPolarHBondContact O-CB 3.41Å; A982-E985 PolarHBondContact O-N 2.83Å; E983-E985 PolarHBondContact O-N 3.13Å; E985-I987 HydrophobicContact CB-CG1 4.35Å; E985-I987 WeakPolarHBondContact O-CG1 3.32Å; E985-I987 PolarHBondContact O-N 2.87Å; E985-K994 IonicContact OE1-NZ 3.6Å; E985-K994 PolarHBondContact OE1-NZ 2.71Å; E985-K994 IonicContact OE2-NZ 3.26Å; E985-K994 PolarHBondContact OE2-NZ 2.93Å; E985-Y1003 PolarHBondContact OE1-OH 3.32Å; E985-Y1003 VanDerWaalsContact OE1-OH 3.07Å; E985-Y1003 PolarHBondContact OE2-OH 3.35Å
986	N	76	Confident	88.1	Confident	111 Å²	111	61.8 Å²	61.8	59%	0.594	32%	0.321	S	S	*	.			trans	53.2	45.7	172.6	-61.2	-3.2	0	0	0	113.7	E983	E983-N986 PolarHBondContact O-N 3.24Å
987	I	82.9	Confident	87.9	Confident	29 Å²	29	63 Å²	63	15%	0.149	33%	0.327	C	S	.	.			trans	-102.8	82.8	178.9	-54.2	-59.1	0	0	0	110	K937 W944 P981 E985 K989 V992 Y1003	K937-I987 HydrophobicContact CD-CD1 4.49Å; W944-I987 HydrophobicContact CZ2-CG2 4.14Å; P981-I987 HydrophobicContact CB-CB 4.08Å; P981-I987 HydrophobicContact CB-CG1 4.01Å; P981-I987 HydrophobicContact CG-CB 4.29Å; P981-I987 HydrophobicContact CG-CG1 4.33Å; P981-I987 HydrophobicContact CG-CG2 4.27Å; E985-I987 HydrophobicContact CB-CG1 4.35Å; E985-I987 WeakPolarHBondContact O-CG1 3.32Å; E985-I987 PolarHBondContact O-N 2.87Å; I987-K989 VanDerWaalsContact C-N 3.34Å; I987-K989 PolarHBondContact O-N 2.86Å; I987-V992 HydrophobicContact CG2-CB 4.19Å; I987-V992 HydrophobicContact CG2-CG1 4Å; I987-V992 HydrophobicContact CG2-CG2 3.86Å; I987-Y1003 HydrophobicContact CD1-CD2 4.41Å; I987-Y1003 HydrophobicContact CD1-CE2 4.32Å; I987-Y1003 HydrophobicContact CG1-CD1 4.37Å; I987-Y1003 HydrophobicContact CG1-CE1 4.14Å
988	H	75.8	Confident	87.8	Confident	164 Å²	164	68.7 Å²	68.7	76%	0.759	35%	0.346	S	S	*	.			trans	-89.9	59.5	-178.7	-49.1	-69.9	0	0	0	112.5
989	K	83.8	Confident	87.4	Confident	60 Å²	60	72.9 Å²	72.9	26%	0.261	38%	0.376	S	S	.	.	S	Bend	trans	-144.6	144.6	163.6	-76	-163.9	-176.4	-83.4	0	108.9	D522 I987 V992	D522-K989 IonicContact OD1-NZ 3.21Å; D522-K989 PolarHBondContact OD1-NZ 3.45Å; D522-K989 IonicContact OD2-NZ 2.75Å; D522-K989 PolarHBondContact OD2-NZ 3.31Å; I987-K989 VanDerWaalsContact C-N 3.34Å; I987-K989 PolarHBondContact O-N 2.86Å; K989-V992 WeakPolarHBondContact O-CG2 3.22Å
990	D	88.2	Confident	87.2	Confident	108 Å²	108	74.9 Å²	74.9	58%	0.578	38%	0.382	S	S	*	.	S	Bend	trans	-71.4	163	-177.2	-39.4	-74.9	0	0	0	112.5	V992 R1005	D990-V992 VanDerWaalsContact C-N 3.32Å; D990-V992 PolarHBondContact O-N 3.12Å; D990-R1005 WeakPolarHBondContact O-CD 3.06Å; D990-R1005 WeakPolarHBondContact O-CG 3.31Å; D990-R1005 PolarHBondContact O-NE 3.05Å
991	Y	94.4	Very high	87.1	Confident	89 Å²	89	72.1 Å²	72.1	35%	0.349	37%	0.365	S	S	.	.	S	Bend	trans	59.8	36.7	172.9	-45.9	-48.9	0	0	0	114.2	R1005 S1006 E1009 F1012	Y991-R1005 WeakPolarHBondContact O-CA 3.25Å; Y991-S1006 WeakPolarHBondContact CB-OG 3.45Å; Y991-S1006 PolarHBondContact O-N 2.89Å; Y991-S1006 VanDerWaalsContact O-N 3.1Å; Y991-E1009 HydrophobicContact CD1-CB 4.1Å; Y991-E1009 HydrophobicContact CE1-CB 3.54Å; Y991-E1009 HydrophobicContact CE1-CG 4.14Å; Y991-F1012 HydrophobicContact CD1-CB 4.49Å; Y991-F1012 HydrophobicContact CD1-CD1 4.44Å; Y991-F1012 HydrophobicContact CG-CB 4.5Å
992	V	95.6	Very high	87.3	Confident	8 Å²	8	72.6 Å²	72.6	5%	0.048	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125.7	178.4	-177.2	0	0	0	0	111.9	W944 P981 I987 K989 D990 Y1003 F1004 R1005 F1012	W944-V992 HydrophobicContact CH2-CG1 3.87Å; W944-V992 HydrophobicContact CH2-CG2 3.76Å; W944-V992 HydrophobicContact CZ2-CG2 4.08Å; P981-V992 WeakPolarHBondContact CD-O 3.48Å; P981-V992 HydrophobicContact CG-CB 4.09Å; P981-V992 HydrophobicContact CG-CG1 3.59Å; I987-V992 HydrophobicContact CG2-CB 4.19Å; I987-V992 HydrophobicContact CG2-CG1 4Å; I987-V992 HydrophobicContact CG2-CG2 3.86Å; K989-V992 WeakPolarHBondContact O-CG2 3.22Å; D990-V992 VanDerWaalsContact C-N 3.32Å; D990-V992 PolarHBondContact O-N 3.12Å; V992-Y1003 HydrophobicContact CG1-CD1 4.25Å; V992-F1004 CarbonylContact C-O 3.6Å; V992-F1004 VanDerWaalsContact CA-O 3.3Å; V992-F1004 WeakPolarHBondContact CA-O 3.45Å; V992-R1005 HydrophobicContact CG2-CB 3.94Å; V992-R1005 HydrophobicContact CG2-CG 4.33Å; V992-F1012 WeakPolarHBondContact O-CE2 3.48Å
993	F	95.9	Very high	87.7	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	161.1	162.5	66.2	-87.4	0	0	0	112	L934 V978 L995 Y1003 F1004 F1012 W1015 M1016 I1019	L934-F993 HydrophobicContact CD1-CE1 4.38Å; L934-F993 HydrophobicContact CD1-CZ 4Å; L934-F993 HydrophobicContact CD2-CE1 4.27Å; V978-F993 HydrophobicContact CG1-CD2 4.4Å; F993-L995 HydrophobicContact CD2-CD2 3.91Å; F993-L995 HydrophobicContact CD2-CG 4.23Å; F993-L995 HydrophobicContact CE2-CD1 4.41Å; F993-L995 HydrophobicContact CE2-CD2 4.01Å; F993-L995 HydrophobicContact CE2-CG 4.14Å; F993-Y1003 WeakPolarHBondContact O-CA 3.17Å; F993-F1004 HydrophobicContact CD1-CB 4.02Å; F993-F1004 WeakPolarHBondContact CD1-O 3.35Å; F993-F1004 HydrophobicContact CD2-CB 4.06Å; F993-F1004 HydrophobicContact CD2-CD2 4.41Å; F993-F1004 HydrophobicContact CE1-CB 3.57Å; F993-F1004 HydrophobicContact CE2-CB 3.61Å; F993-F1004 AromaticContact CE2-CD2 3.84Å; F993-F1004 HydrophobicContact CE2-CD2 3.84Å; F993-F1004 AromaticContact CE2-CG 3.96Å; F993-F1004 HydrophobicContact CE2-CG 3.96Å; F993-F1004 HydrophobicContact CG-CB 4.26Å; F993-F1004 HydrophobicContact CZ-CB 3.35Å; F993-F1004 HydrophobicContact CZ-CD2 4.29Å; F993-F1004 AromaticContact CZ-CG 3.93Å; F993-F1004 HydrophobicContact CZ-CG 3.93Å; F993-F1004 PolarHBondContact N-O 2.98Å; F993-F1004 PolarHBondContact O-N 3.38Å; F993-F1012 HydrophobicContact CB-CD2 4.33Å; F993-F1012 HydrophobicContact CB-CE2 4.04Å; F993-F1012 HydrophobicContact CD1-CD2 4.24Å; F993-W1015 HydrophobicContact CD1-CB 4.47Å; F993-W1015 HydrophobicContact CE1-CB 3.66Å; F993-W1015 HydrophobicContact CE1-CG 4.26Å; F993-W1015 HydrophobicContact CZ-CB 3.95Å; F993-W1015 HydrophobicContact CZ-CG 4.43Å; F993-M1016 HydrophobicContact CB-CG 3.66Å; F993-M1016 HydrophobicContact CB-SD 3.88Å; F993-M1016 HydrophobicContact CD1-CG 4.33Å; F993-M1016 HydrophobicContact CG-CG 4.02Å; F993-I1019 HydrophobicContact CE2-CD1 3.58Å; F993-I1019 HydrophobicContact CZ-CD1 3.88Å
994	K	94.9	Very high	88.6	Confident	29 Å²	29	61.6 Å²	61.6	13%	0.126	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	121.5	-173.6	171.6	-173.1	171.7	179.3	0	109.3	T979 P981 E985 V1001 Y1002 Y1003	T979-K994 PolarHBondContact N-O 3.15Å; T979-K994 WeakPolarHBondContact O-CA 3.3Å; T979-K994 WeakPolarHBondContact O-CB 3.22Å; T979-K994 PolarHBondContact O-N 3.35Å; T979-K994 PolarHBondContact OG1-O 2.88Å; P981-K994 HydrophobicContact CG-CB 4.43Å; E985-K994 IonicContact OE1-NZ 3.6Å; E985-K994 PolarHBondContact OE1-NZ 2.71Å; E985-K994 IonicContact OE2-NZ 3.26Å; E985-K994 PolarHBondContact OE2-NZ 2.93Å; K994-V1001 HydrophobicContact CD-CG1 4.47Å; K994-V1001 HydrophobicContact CG-CG1 4.05Å; K994-Y1002 CarbonylContact C-O 3.58Å; K994-Y1002 WeakPolarHBondContact CA-O 3.46Å; K994-Y1003 HydrophobicContact CB-CD1 3.85Å; K994-Y1003 HydrophobicContact CB-CE1 3.87Å; K994-Y1003 HydrophobicContact CD-CE1 3.78Å; K994-Y1003 HydrophobicContact CG-CD1 4.08Å; K994-Y1003 HydrophobicContact CG-CE1 3.71Å
995	L	95.2	Very high	89.4	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	125.1	170.3	-53.7	-173.4	0	0	0	108.8	L956 L973 Y976 V978 F993 V1001 Y1002 F1004 I1019	L956-L995 HydrophobicContact CD1-CD1 3.78Å; L973-L995 HydrophobicContact CD2-CD1 4.05Å; Y976-L995 HydrophobicContact CD1-CB 4.06Å; V978-L995 HydrophobicContact CB-CD2 4.23Å; V978-L995 HydrophobicContact CG1-CD2 4.07Å; V978-L995 HydrophobicContact CG2-CD2 3.8Å; F993-L995 HydrophobicContact CD2-CD2 3.91Å; F993-L995 HydrophobicContact CD2-CG 4.23Å; F993-L995 HydrophobicContact CE2-CD1 4.41Å; F993-L995 HydrophobicContact CE2-CD2 4.01Å; F993-L995 HydrophobicContact CE2-CG 4.14Å; L995-V1001 WeakPolarHBondContact O-CA 3.25Å; L995-Y1002 PolarHBondContact N-O 2.71Å; L995-Y1002 PolarHBondContact O-N 2.94Å; L995-F1004 HydrophobicContact CD1-CD2 4.08Å; L995-F1004 HydrophobicContact CD1-CE2 3.71Å; L995-F1004 HydrophobicContact CG-CD2 4.1Å; L995-F1004 HydrophobicContact CG-CE2 4.1Å; L995-I1019 HydrophobicContact CD1-CD1 4.41Å; L995-I1019 HydrophobicContact CD2-CD1 4.47Å; L995-I1019 HydrophobicContact CD2-CG2 3.97Å
996	H	91.1	Very high	90.1	Very high	61 Å²	61	56.3 Å²	56.3	28%	0.282	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	142.5	177.1	66	-74.6	0	0	0	113	Y976 S977 T979 H1000 V1001	Y976-H996 CarbonylContact C-O 3.57Å; Y976-H996 VanDerWaalsContact CA-O 3.31Å; Y976-H996 WeakPolarHBondContact CA-O 3.39Å; S977-H996 VanDerWaalsContact CB-CE1 3.5Å; S977-H996 WeakPolarHBondContact CB-CE1 3.34Å; S977-H996 PolarHBondContact N-O 3.35Å; S977-H996 PolarHBondContact O-N 2.59Å; S977-H996 VanDerWaalsContact O-N 3.13Å; S977-H996 PolarHBondContact O-ND1 3.46Å; S977-H996 PolarHBondContact OG-CD2 3.07Å; S977-H996 VanDerWaalsContact OG-CD2 3.24Å; S977-H996 PolarHBondContact OG-CE1 3.25Å; S977-H996 PolarHBondContact OG-ND1 2.96Å; S977-H996 PolarHBondContact OG-NE2 3.28Å; S977-H996 PolarHBondContact OG-O 2.67Å; T979-H996 PolarHBondContact OG1-ND1 3.04Å; H996-H1000 CarbonylContact C-O 3.59Å; H996-H1000 WeakPolarHBondContact CA-O 3.35Å; H996-V1001 HydrophobicContact CB-CG1 4.5Å; H996-V1001 HydrophobicContact CB-CG2 4.03Å
997	F	89.4	Confident	90.8	Very high	35 Å²	35	55 Å²	55	15%	0.154	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	117.2	173.2	179.5	-123.5	0	0	0	110.3	R913 G975 Y976 S999 H1000	R913-F997 HydrophobicContact CB-CZ 4.47Å; R913-F997 HydrophobicContact CG-CE1 4.35Å; R913-F997 HydrophobicContact CG-CZ 3.94Å; G975-F997 WeakPolarHBondContact O-CD2 3.43Å; Y976-F997 HydrophobicContact CD1-CB 3.52Å; Y976-F997 HydrophobicContact CD2-CB 3.66Å; Y976-F997 HydrophobicContact CD2-CD1 4.35Å; Y976-F997 HydrophobicContact CD2-CG 4.04Å; Y976-F997 HydrophobicContact CE1-CB 3.46Å; Y976-F997 VanDerWaalsContact CE1-CB 3.46Å; Y976-F997 HydrophobicContact CE2-CB 3.62Å; Y976-F997 AromaticContact CE2-CD1 3.85Å; Y976-F997 HydrophobicContact CE2-CD1 3.85Å; Y976-F997 AromaticContact CE2-CG 3.94Å; Y976-F997 HydrophobicContact CE2-CG 3.94Å; Y976-F997 HydrophobicContact CG-CB 3.61Å; Y976-F997 HydrophobicContact CG-CG 4.42Å; Y976-F997 VanDerWaalsContact CZ-CB 3.5Å; F997-S999 PolarHBondContact O-N 3.34Å; F997-H1000 PolarHBondContact N-O 2.85Å; F997-H1000 WeakPolarHBondContact O-CB 3.41Å; F997-H1000 PolarHBondContact O-N 3.46Å
998	K	87.8	Confident	91.1	Very high	165 Å²	165	54.2 Å²	54.2	72%	0.717	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	-107.2	-177.3	-58.9	176.2	-179	176.8	0	110.6
999	S	85.1	Confident	91.9	Very high	106 Å²	106	52.2 Å²	52.2	74%	0.741	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-6.8	176.4	49.8	0	0	0	0	115.3	F997	F997-S999 PolarHBondContact O-N 3.34Å
1000	H	88.4	Confident	92.3	Very high	92 Å²	92	50.5 Å²	50.5	43%	0.426	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	128.4	-176.4	-59.5	-100.3	0	0	0	109.7	Y976 H996 F997 Y1002	Y976-H1000 HydrophobicContact CE1-CB 4.39Å; H996-H1000 CarbonylContact C-O 3.59Å; H996-H1000 WeakPolarHBondContact CA-O 3.35Å; F997-H1000 PolarHBondContact N-O 2.85Å; F997-H1000 WeakPolarHBondContact O-CB 3.41Å; F997-H1000 PolarHBondContact O-N 3.46Å; H1000-Y1002 HydrophobicContact CB-CE2 3.92Å
1001	V	91.7	Very high	92.6	Very high	29 Å²	29	46.4 Å²	46.4	18%	0.176	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	123.5	178.3	-175	0	0	0	0	110.1	K939 K994 L995 H996 Y1003	K939-V1001 HydrophobicContact CB-CB 3.88Å; K939-V1001 HydrophobicContact CB-CG1 4.09Å; K939-V1001 HydrophobicContact CD-CB 3.93Å; K939-V1001 HydrophobicContact CD-CG1 3.94Å; K939-V1001 HydrophobicContact CD-CG2 4.1Å; K939-V1001 PolarHBondContact N-O 3.36Å; K994-V1001 HydrophobicContact CD-CG1 4.47Å; K994-V1001 HydrophobicContact CG-CG1 4.05Å; L995-V1001 WeakPolarHBondContact O-CA 3.25Å; H996-V1001 HydrophobicContact CB-CG1 4.5Å; H996-V1001 HydrophobicContact CB-CG2 4.03Å; V1001-Y1003 HydrophobicContact CG1-CE2 4.19Å
1002	Y	93.9	Very high	92.7	Very high	34 Å²	34	43.7 Å²	43.7	13%	0.133	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	143.1	179.5	-53	-99	0	0	0	109.2	F938 L971 Y976 K994 L995 H1000 F1004	F938-Y1002 AromaticContact CD1-CD1 3.94Å; F938-Y1002 HydrophobicContact CD1-CD1 3.94Å; F938-Y1002 AromaticContact CD1-CE1 3.9Å; F938-Y1002 HydrophobicContact CD1-CE1 3.9Å; F938-Y1002 AromaticContact CE1-CD1 3.96Å; F938-Y1002 HydrophobicContact CE1-CD1 3.96Å; F938-Y1002 AromaticContact CE1-CE1 3.62Å; F938-Y1002 HydrophobicContact CE1-CE1 3.62Å; L971-Y1002 HydrophobicContact CD1-CE2 4.04Å; L971-Y1002 HydrophobicContact CD2-CD2 4.06Å; L971-Y1002 HydrophobicContact CD2-CE1 4.34Å; L971-Y1002 HydrophobicContact CD2-CE2 3.9Å; L971-Y1002 HydrophobicContact CD2-CG 4.38Å; Y976-Y1002 HydrophobicContact CE1-CD2 4.02Å; Y976-Y1002 AromaticContact CE1-CE2 3.82Å; Y976-Y1002 HydrophobicContact CE1-CE2 3.82Å; K994-Y1002 CarbonylContact C-O 3.58Å; K994-Y1002 WeakPolarHBondContact CA-O 3.46Å; L995-Y1002 PolarHBondContact N-O 2.71Å; L995-Y1002 PolarHBondContact O-N 2.94Å; H1000-Y1002 HydrophobicContact CB-CE2 3.92Å; Y1002-F1004 HydrophobicContact CG-CE2 4.44Å
1003	Y	95.1	Very high	92.7	Very high	5 Å²	5	47.7 Å²	47.7	2%	0.02	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	140.8	171.9	-60.8	-78.6	0	0	0	109.4	R936 K937 K939 P981 E985 I987 V992 F993 K994 V1001	R936-Y1003 CarbonylContact C-O 3.53Å; R936-Y1003 WeakPolarHBondContact CA-O 3.43Å; K937-Y1003 PolarHBondContact N-O 2.98Å; K937-Y1003 PolarHBondContact O-N 3.45Å; K939-Y1003 HydrophobicContact CB-CE2 3.88Å; K939-Y1003 HydrophobicContact CG-CE2 4.24Å; P981-Y1003 HydrophobicContact CB-CD1 4.46Å; P981-Y1003 HydrophobicContact CB-CE1 4.01Å; P981-Y1003 HydrophobicContact CG-CD1 3.84Å; P981-Y1003 HydrophobicContact CG-CE1 3.89Å; E985-Y1003 PolarHBondContact OE1-OH 3.32Å; E985-Y1003 VanDerWaalsContact OE1-OH 3.07Å; E985-Y1003 PolarHBondContact OE2-OH 3.35Å; I987-Y1003 HydrophobicContact CD1-CD2 4.41Å; I987-Y1003 HydrophobicContact CD1-CE2 4.32Å; I987-Y1003 HydrophobicContact CG1-CD1 4.37Å; I987-Y1003 HydrophobicContact CG1-CE1 4.14Å; V992-Y1003 HydrophobicContact CG1-CD1 4.25Å; F993-Y1003 WeakPolarHBondContact O-CA 3.17Å; K994-Y1003 HydrophobicContact CB-CD1 3.85Å; K994-Y1003 HydrophobicContact CB-CE1 3.87Å; K994-Y1003 HydrophobicContact CD-CE1 3.78Å; K994-Y1003 HydrophobicContact CG-CD1 4.08Å; K994-Y1003 HydrophobicContact CG-CE1 3.71Å; V1001-Y1003 HydrophobicContact CG1-CE2 4.19Å
1004	F	96.7	Very high	92.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	125.9	179.9	-70.2	-84.5	0	0	0	109.4	L934 L935 R936 L956 F958 V992 F993 L995 Y1002	L934-F1004 HydrophobicContact CB-CD1 4.25Å; L934-F1004 HydrophobicContact CD1-CB 4.36Å; L934-F1004 HydrophobicContact CD1-CD1 3.94Å; L934-F1004 HydrophobicContact CD1-CG 4.41Å; L935-F1004 CarbonylContact O-C 3.6Å; L935-F1004 VanDerWaalsContact O-CA 3.29Å; L935-F1004 WeakPolarHBondContact O-CA 3.42Å; R936-F1004 HydrophobicContact CB-CD1 4Å; R936-F1004 HydrophobicContact CB-CE1 3.76Å; R936-F1004 HydrophobicContact CG-CD1 4.11Å; R936-F1004 HydrophobicContact CG-CE1 3.54Å; R936-F1004 HydrophobicContact CG-CZ 3.86Å; L956-F1004 HydrophobicContact CD1-CE2 4.25Å; L956-F1004 HydrophobicContact CD1-CZ 3.99Å; F958-F1004 AromaticContact CE1-CE1 3.73Å; F958-F1004 HydrophobicContact CE1-CE1 3.73Å; F958-F1004 AromaticContact CE1-CZ 3.81Å; F958-F1004 HydrophobicContact CE1-CZ 3.81Å; F958-F1004 HydrophobicContact CZ-CE1 4.36Å; F958-F1004 AromaticContact CZ-CZ 3.97Å; F958-F1004 HydrophobicContact CZ-CZ 3.97Å; V992-F1004 CarbonylContact C-O 3.6Å; V992-F1004 VanDerWaalsContact CA-O 3.3Å; V992-F1004 WeakPolarHBondContact CA-O 3.45Å; F993-F1004 HydrophobicContact CD1-CB 4.02Å; F993-F1004 WeakPolarHBondContact CD1-O 3.35Å; F993-F1004 HydrophobicContact CD2-CB 4.06Å; F993-F1004 HydrophobicContact CD2-CD2 4.41Å; F993-F1004 HydrophobicContact CE1-CB 3.57Å; F993-F1004 HydrophobicContact CE2-CB 3.61Å; F993-F1004 AromaticContact CE2-CD2 3.84Å; F993-F1004 HydrophobicContact CE2-CD2 3.84Å; F993-F1004 AromaticContact CE2-CG 3.96Å; F993-F1004 HydrophobicContact CE2-CG 3.96Å; F993-F1004 HydrophobicContact CG-CB 4.26Å; F993-F1004 HydrophobicContact CZ-CB 3.35Å; F993-F1004 HydrophobicContact CZ-CD2 4.29Å; F993-F1004 AromaticContact CZ-CG 3.93Å; F993-F1004 HydrophobicContact CZ-CG 3.93Å; F993-F1004 PolarHBondContact N-O 2.98Å; F993-F1004 PolarHBondContact O-N 3.38Å; L995-F1004 HydrophobicContact CD1-CD2 4.08Å; L995-F1004 HydrophobicContact CD1-CE2 3.71Å; L995-F1004 HydrophobicContact CG-CD2 4.1Å; L995-F1004 HydrophobicContact CG-CE2 4.1Å; Y1002-F1004 HydrophobicContact CG-CE2 4.44Å
1005	R	95.9	Very high	92.8	Very high	53 Å²	53	47.2 Å²	47.2	20%	0.2	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	130.9	173.9	173.2	169.5	-169.3	-113.8	6.5	109.9	L935 W944 D990 Y991 V992	L935-R1005 HydrophobicContact CB-CB 4.02Å; L935-R1005 HydrophobicContact CD1-CB 4.49Å; L935-R1005 HydrophobicContact CD1-CG 4.28Å; L935-R1005 PolarHBondContact N-O 2.72Å; L935-R1005 PolarHBondContact O-N 2.85Å; W944-R1005 HydrophobicContact CE3-CB 4.26Å; W944-R1005 HydrophobicContact CH2-CB 3.96Å; W944-R1005 HydrophobicContact CZ3-CB 3.78Å; D990-R1005 WeakPolarHBondContact O-CD 3.06Å; D990-R1005 WeakPolarHBondContact O-CG 3.31Å; D990-R1005 PolarHBondContact O-NE 3.05Å; Y991-R1005 WeakPolarHBondContact O-CA 3.25Å; V992-R1005 HydrophobicContact CG2-CB 3.94Å; V992-R1005 HydrophobicContact CG2-CG 4.33Å
1006	S	94.8	Very high	92.8	Very high	4 Å²	4	47.7 Å²	47.7	3%	0.028	23%	0.231	C	C	.	.			trans	-88.7	179.2	169.3	75.5	0	0	0	0	111.8	Y991 S1008 F1012	Y991-S1006 WeakPolarHBondContact CB-OG 3.45Å; Y991-S1006 PolarHBondContact O-N 2.89Å; Y991-S1006 VanDerWaalsContact O-N 3.1Å; S1006-S1008 PolarHBondContact OG-N 3.37Å; S1006-S1008 PolarHBondContact OG-O 2.89Å; S1006-F1012 VanDerWaalsContact OG-CB 3.27Å; S1006-F1012 WeakPolarHBondContact OG-CB 3.35Å; S1006-F1012 PolarHBondContact OG-N 3.08Å
1007	E	89.5	Confident	93	Very high	85 Å²	85	49.3 Å²	49.3	40%	0.397	24%	0.239	S	C	.	.	S	Bend	trans	-88.2	-15.2	174.8	48.7	165.4	-132	0	0	114.5	K541 T1011	K541-E1007 WeakPolarHBondContact CD-OE1 3.38Å; K541-E1007 WeakPolarHBondContact CE-OE1 3.37Å; K541-E1007 IonicContact NZ-OE1 3.86Å; K541-E1007 PolarHBondContact NZ-OE1 2.99Å; K541-E1007 IonicContact NZ-OE2 2.83Å; K541-E1007 PolarHBondContact NZ-OE2 3.45Å; E1007-T1011 HydrophobicContact CG-CG2 4.36Å
1008	S	90.3	Very high	93.2	Very high	12 Å²	12	47.7 Å²	47.7	8%	0.084	23%	0.231	C	C	.	.	S	Bend	trans	-159.1	164.3	-177	73.6	0	0	0	0	112.9	F538 S1006 T1011 F1012	F538-S1008 VanDerWaalsContact CD1-OG 3.32Å; F538-S1008 WeakPolarHBondContact CD1-OG 3.46Å; F538-S1008 VanDerWaalsContact CE1-CB 3.45Å; F538-S1008 WeakPolarHBondContact CE1-OG 3.49Å; F538-S1008 VanDerWaalsContact CZ-CB 3.47Å; S1006-S1008 PolarHBondContact OG-N 3.37Å; S1006-S1008 PolarHBondContact OG-O 2.89Å; S1008-T1011 PolarHBondContact O-N 3.14Å; S1008-T1011 WeakPolarHBondContact OG-CB 3.22Å; S1008-T1011 PolarHBondContact OG-N 3.16Å; S1008-T1011 PolarHBondContact OG-OG1 3.1Å; S1008-T1011 VanDerWaalsContact OG-OG1 3.06Å; S1008-F1012 WeakPolarHBondContact O-CB 3.38Å; S1008-F1012 PolarHBondContact O-N 3.4Å
1009	E	91.6	Very high	93.6	Very high	122 Å²	122	39.8 Å²	39.8	57%	0.57	20%	0.197	S	C	*	.	H	α-helix	trans	-55.3	-55.9	176.9	-171.9	169.7	-135.1	0	0	112.4	Y991 T1011 F1012 E1013	Y991-E1009 HydrophobicContact CD1-CB 4.1Å; Y991-E1009 HydrophobicContact CE1-CB 3.54Å; Y991-E1009 HydrophobicContact CE1-CG 4.14Å; E1009-T1011 VanDerWaalsContact C-N 3.28Å; E1009-T1011 PolarHBondContact O-N 2.91Å; E1009-F1012 WeakPolarHBondContact O-CA 3.49Å; E1009-F1012 WeakPolarHBondContact O-CB 3.33Å; E1009-F1012 PolarHBondContact O-N 3.25Å; E1009-E1013 PolarHBondContact O-N 3.24Å
1010	Y	93	Very high	93.9	Very high	23 Å²	23	39.8 Å²	39.8	9%	0.09	18%	0.181	C	C	.	.	H	α-helix	trans	-52.4	-47.1	176.2	171.9	-90	0	0	0	111.9	R535 F538 I539 E542 R694 F1012 E1013 R1014	R535-Y1010 HydrophobicContact CG-CD2 3.58Å; R535-Y1010 HydrophobicContact CG-CE2 4.08Å; R535-Y1010 HydrophobicContact CG-CG 4.28Å; F538-Y1010 HydrophobicContact CB-CD1 3.44Å; F538-Y1010 VanDerWaalsContact CB-CD1 3.44Å; F538-Y1010 HydrophobicContact CB-CE1 4.07Å; F538-Y1010 HydrophobicContact CB-CG 3.98Å; F538-Y1010 HydrophobicContact CG-CD1 4.4Å; I539-Y1010 HydrophobicContact CD1-CE2 4.49Å; I539-Y1010 HydrophobicContact CG1-CE1 4.32Å; I539-Y1010 HydrophobicContact CG1-CE2 3.84Å; E542-Y1010 PolarHBondContact OE2-OH 2.97Å; R694-Y1010 PolarHBondContact NH1-OH 2.64Å; Y1010-F1012 VanDerWaalsContact C-N 3.3Å; Y1010-F1012 PolarHBondContact O-N 3.21Å; Y1010-E1013 PolarHBondContact O-N 3.49Å; Y1010-R1014 HydrophobicContact CE1-CB 4.31Å; Y1010-R1014 WeakPolarHBondContact O-CB 3.29Å; Y1010-R1014 PolarHBondContact O-N 3.13Å
1011	T	94.2	Very high	94	Very high	22 Å²	22	37.3 Å²	37.3	14%	0.135	17%	0.174	C	C	.	.	H	α-helix	trans	-68.5	-31.6	-178.4	-57.2	0	0	0	0	111.1	E1007 S1008 E1009 W1015	E1007-T1011 HydrophobicContact CG-CG2 4.36Å; S1008-T1011 PolarHBondContact O-N 3.14Å; S1008-T1011 WeakPolarHBondContact OG-CB 3.22Å; S1008-T1011 PolarHBondContact OG-N 3.16Å; S1008-T1011 PolarHBondContact OG-OG1 3.1Å; S1008-T1011 VanDerWaalsContact OG-OG1 3.06Å; E1009-T1011 VanDerWaalsContact C-N 3.28Å; E1009-T1011 PolarHBondContact O-N 2.91Å; T1011-W1015 WeakPolarHBondContact O-CB 3.4Å; T1011-W1015 PolarHBondContact O-N 3.03Å
1012	F	96.1	Very high	93.4	Very high	32 Å²	32	36.2 Å²	36.2	14%	0.14	17%	0.168	C	C	.	.	H	α-helix	trans	-69	-45	172.4	155.6	-103.4	0	0	0	112.7	V980 Y991 V992 F993 S1006 S1008 E1009 Y1010 M1016	V980-F1012 HydrophobicContact CG2-CZ 4.18Å; Y991-F1012 HydrophobicContact CD1-CB 4.49Å; Y991-F1012 HydrophobicContact CD1-CD1 4.44Å; Y991-F1012 HydrophobicContact CG-CB 4.5Å; V992-F1012 WeakPolarHBondContact O-CE2 3.48Å; F993-F1012 HydrophobicContact CB-CD2 4.33Å; F993-F1012 HydrophobicContact CB-CE2 4.04Å; F993-F1012 HydrophobicContact CD1-CD2 4.24Å; S1006-F1012 VanDerWaalsContact OG-CB 3.27Å; S1006-F1012 WeakPolarHBondContact OG-CB 3.35Å; S1006-F1012 PolarHBondContact OG-N 3.08Å; S1008-F1012 WeakPolarHBondContact O-CB 3.38Å; S1008-F1012 PolarHBondContact O-N 3.4Å; E1009-F1012 WeakPolarHBondContact O-CA 3.49Å; E1009-F1012 WeakPolarHBondContact O-CB 3.33Å; E1009-F1012 PolarHBondContact O-N 3.25Å; Y1010-F1012 VanDerWaalsContact C-N 3.3Å; Y1010-F1012 PolarHBondContact O-N 3.21Å; F1012-M1016 HydrophobicContact CD1-CE 3.84Å; F1012-M1016 HydrophobicContact CD2-CE 3.96Å; F1012-M1016 HydrophobicContact CD2-CG 4.42Å; F1012-M1016 HydrophobicContact CD2-SD 4.25Å; F1012-M1016 HydrophobicContact CE1-CE 3.39Å; F1012-M1016 HydrophobicContact CE2-CE 3.51Å; F1012-M1016 HydrophobicContact CE2-CG 4.32Å; F1012-M1016 HydrophobicContact CE2-SD 3.61Å; F1012-M1016 HydrophobicContact CG-CE 4.12Å; F1012-M1016 HydrophobicContact CZ-CE 3.22Å; F1012-M1016 HydrophobicContact CZ-SD 3.79Å; F1012-M1016 WeakPolarHBondContact O-CG 3.43Å; F1012-M1016 PolarHBondContact O-N 3Å
1013	E	95.5	Very high	92.6	Very high	93 Å²	93	35.7 Å²	35.7	44%	0.435	17%	0.168	S	C	.	.	H	α-helix	trans	-57.4	-51.1	172.8	-67.7	-165	132.4	0	0	110.9	R535 E1009 Y1010 W1015 M1016 E1017	R535-E1013 IonicContact NH2-OE2 2.71Å; E1009-E1013 PolarHBondContact O-N 3.24Å; Y1010-E1013 PolarHBondContact O-N 3.49Å; E1013-W1015 PolarHBondContact O-N 3.11Å; E1013-M1016 PolarHBondContact O-N 3.07Å; E1013-M1016 VanDerWaalsContact O-N 3.16Å; E1013-E1017 WeakPolarHBondContact O-CB 3.47Å; E1013-E1017 PolarHBondContact O-N 3.41Å
1014	R	96.1	Very high	91.2	Very high	15 Å²	15	38.3 Å²	38.3	6%	0.057	19%	0.185	C	C	.	.	H	α-helix	trans	-63.6	-41.4	-177.8	-175.9	56.4	176.8	157	6.7	112.7	E542 R694 L930 Y1010 M1016 E1017 V1018	E542-R1014 IonicContact OE1-CZ 2.7Å; E542-R1014 IonicContact OE1-NE 2.81Å; E542-R1014 PolarHBondContact OE1-NE 3.16Å; E542-R1014 IonicContact OE1-NH2 2.61Å; E542-R1014 PolarHBondContact OE1-NH2 3.29Å; E542-R1014 IonicContact OE2-NE 3.67Å; R694-R1014 VanDerWaalsContact NH1-NE 3.17Å; L930-R1014 HydrophobicContact CD1-CG 4.39Å; L930-R1014 HydrophobicContact CD2-CG 4.06Å; Y1010-R1014 HydrophobicContact CE1-CB 4.31Å; Y1010-R1014 WeakPolarHBondContact O-CB 3.29Å; Y1010-R1014 PolarHBondContact O-N 3.13Å; R1014-M1016 VanDerWaalsContact C-N 3.35Å; R1014-E1017 WeakPolarHBondContact CD-OE2 3.08Å; R1014-E1017 IonicContact CZ-OE2 2.71Å; R1014-E1017 IonicContact NE-OE2 2.74Å; R1014-E1017 VanDerWaalsContact NH1-CD 3.35Å; R1014-E1017 IonicContact NH1-OE1 3.98Å; R1014-E1017 IonicContact NH1-OE2 2.78Å; R1014-E1017 PolarHBondContact NH1-OE2 2.74Å; R1014-E1017 PolarHBondContact O-N 3.41Å; R1014-V1018 WeakPolarHBondContact O-CG2 3.5Å; R1014-V1018 PolarHBondContact O-N 2.97Å; R1014-V1018 VanDerWaalsContact O-N 3.1Å
1015	W	97.3	Very high	89.1	Confident	3 Å²	3	39.5 Å²	39.5	1%	0.011	19%	0.193	C	C	.	.	H	α-helix	trans	-64.7	-37.3	173.5	-88.1	108.6	0	0	0	112.6	L930 L934 V949 F951 L956 F993 T1011 E1013 V1018 I1019	L930-W1015 HydrophobicContact CD2-CB 4.49Å; L930-W1015 HydrophobicContact CD2-CD2 3.52Å; L930-W1015 HydrophobicContact CD2-CE3 3.81Å; L930-W1015 HydrophobicContact CD2-CG 3.84Å; L930-W1015 HydrophobicContact CD2-CH2 4.48Å; L930-W1015 HydrophobicContact CD2-CZ2 4.24Å; L930-W1015 HydrophobicContact CD2-CZ3 4.29Å; L930-W1015 HydrophobicContact CG-CD2 4.32Å; L930-W1015 HydrophobicContact CG-CE3 4.48Å; L930-W1015 HydrophobicContact CG-CH2 4.31Å; L930-W1015 HydrophobicContact CG-CZ2 4.14Å; L930-W1015 HydrophobicContact CG-CZ3 4.49Å; L934-W1015 HydrophobicContact CD1-CD2 3.82Å; L934-W1015 HydrophobicContact CD1-CE3 4.06Å; L934-W1015 HydrophobicContact CD1-CG 4.35Å; L934-W1015 HydrophobicContact CD1-CH2 4.19Å; L934-W1015 HydrophobicContact CD1-CZ2 3.95Å; L934-W1015 HydrophobicContact CD1-CZ3 4.22Å; L934-W1015 HydrophobicContact CD2-CD2 4.39Å; L934-W1015 HydrophobicContact CD2-CG 4.2Å; L934-W1015 HydrophobicContact CG-CD2 4.39Å; L934-W1015 HydrophobicContact CG-CZ2 4.17Å; V949-W1015 HydrophobicContact CB-CH2 3.99Å; V949-W1015 HydrophobicContact CB-CZ2 4.37Å; V949-W1015 HydrophobicContact CG1-CH2 3.92Å; V949-W1015 HydrophobicContact CG1-CZ3 4.31Å; F951-W1015 HydrophobicContact CB-CH2 4.31Å; F951-W1015 HydrophobicContact CB-CZ3 3.82Å; L956-W1015 HydrophobicContact CD2-CZ3 3.96Å; F993-W1015 HydrophobicContact CD1-CB 4.47Å; F993-W1015 HydrophobicContact CE1-CB 3.66Å; F993-W1015 HydrophobicContact CE1-CG 4.26Å; F993-W1015 HydrophobicContact CZ-CB 3.95Å; F993-W1015 HydrophobicContact CZ-CG 4.43Å; T1011-W1015 WeakPolarHBondContact O-CB 3.4Å; T1011-W1015 PolarHBondContact O-N 3.03Å; E1013-W1015 PolarHBondContact O-N 3.11Å; W1015-V1018 HydrophobicContact CE3-CG2 4.41Å; W1015-I1019 HydrophobicContact CE3-CD1 4Å; W1015-I1019 HydrophobicContact CE3-CG1 4.43Å; W1015-I1019 WeakPolarHBondContact O-CB 3.01Å; W1015-I1019 WeakPolarHBondContact O-CD1 3.26Å; W1015-I1019 VanDerWaalsContact O-CG1 3.24Å; W1015-I1019 WeakPolarHBondContact O-CG1 3.15Å; W1015-I1019 PolarHBondContact O-N 3.39Å
1016	M	95.5	Very high	86.6	Confident	10 Å²	10	38.8 Å²	38.8	5%	0.049	20%	0.196	C	C	.	.	H	α-helix	trans	-70.5	-38.5	174.3	-73.3	-166.1	-61.9	0	0	112.5	V978 V980 F993 F1012 E1013 R1014 R1020	V978-M1016 HydrophobicContact CG1-CB 4.29Å; V978-M1016 HydrophobicContact CG1-CG 3.98Å; V980-M1016 HydrophobicContact CG2-SD 4.43Å; F993-M1016 HydrophobicContact CB-CG 3.66Å; F993-M1016 HydrophobicContact CB-SD 3.88Å; F993-M1016 HydrophobicContact CD1-CG 4.33Å; F993-M1016 HydrophobicContact CG-CG 4.02Å; F1012-M1016 HydrophobicContact CD1-CE 3.84Å; F1012-M1016 HydrophobicContact CD2-CE 3.96Å; F1012-M1016 HydrophobicContact CD2-CG 4.42Å; F1012-M1016 HydrophobicContact CD2-SD 4.25Å; F1012-M1016 HydrophobicContact CE1-CE 3.39Å; F1012-M1016 HydrophobicContact CE2-CE 3.51Å; F1012-M1016 HydrophobicContact CE2-CG 4.32Å; F1012-M1016 HydrophobicContact CE2-SD 3.61Å; F1012-M1016 HydrophobicContact CG-CE 4.12Å; F1012-M1016 HydrophobicContact CZ-CE 3.22Å; F1012-M1016 HydrophobicContact CZ-SD 3.79Å; F1012-M1016 WeakPolarHBondContact O-CG 3.43Å; F1012-M1016 PolarHBondContact O-N 3Å; E1013-M1016 PolarHBondContact O-N 3.07Å; E1013-M1016 VanDerWaalsContact O-N 3.16Å; R1014-M1016 VanDerWaalsContact C-N 3.35Å; M1016-R1020 WeakPolarHBondContact O-CB 3.38Å; M1016-R1020 VanDerWaalsContact O-CD 3.32Å; M1016-R1020 WeakPolarHBondContact O-CD 3.34Å; M1016-R1020 WeakPolarHBondContact O-CG 3.49Å; M1016-R1020 PolarHBondContact O-N 2.82Å; M1016-R1020 PolarHBondContact SD-NH2 3.32Å
1017	E	94.3	Very high	83.8	Confident	96 Å²	96	41 Å²	41	45%	0.449	21%	0.211	S	C	.	.	H	α-helix	trans	-57	-57.6	176.5	-178.2	-172.9	-150.9	0	0	111.2	E1013 R1014 I1019 R1020 S1021	E1013-E1017 WeakPolarHBondContact O-CB 3.47Å; E1013-E1017 PolarHBondContact O-N 3.41Å; R1014-E1017 WeakPolarHBondContact CD-OE2 3.08Å; R1014-E1017 IonicContact CZ-OE2 2.71Å; R1014-E1017 IonicContact NE-OE2 2.74Å; R1014-E1017 VanDerWaalsContact NH1-CD 3.35Å; R1014-E1017 IonicContact NH1-OE1 3.98Å; R1014-E1017 IonicContact NH1-OE2 2.78Å; R1014-E1017 PolarHBondContact NH1-OE2 2.74Å; R1014-E1017 PolarHBondContact O-N 3.41Å; E1017-I1019 PolarHBondContact O-N 3.2Å; E1017-R1020 WeakPolarHBondContact O-CB 3.37Å; E1017-R1020 PolarHBondContact O-N 3.27Å; E1017-R1020 VanDerWaalsContact O-N 3.17Å; E1017-S1021 PolarHBondContact O-N 2.83Å; E1017-S1021 VanDerWaalsContact O-N 3.16Å
1018	V	95.1	Very high	81.2	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66.7	-34.3	-176.3	-58.6	0	0	0	0	113.1	N928 L930 F951 R1014 W1015 S1021	N928-V1018 HydrophobicContact CB-CB 3.93Å; N928-V1018 HydrophobicContact CB-CG1 4.01Å; N928-V1018 WeakPolarHBondContact O-CB 3.32Å; L930-V1018 HydrophobicContact CB-CG1 4.37Å; L930-V1018 HydrophobicContact CB-CG2 3.94Å; L930-V1018 HydrophobicContact CD2-CG1 4.26Å; L930-V1018 HydrophobicContact CD2-CG2 3.56Å; L930-V1018 HydrophobicContact CG-CG2 4.41Å; F951-V1018 HydrophobicContact CD1-CB 4.03Å; F951-V1018 HydrophobicContact CD1-CG2 3.76Å; F951-V1018 HydrophobicContact CE1-CB 3.94Å; F951-V1018 HydrophobicContact CE1-CG2 4.09Å; F951-V1018 VanDerWaalsContact CE1-O 3.29Å; F951-V1018 WeakPolarHBondContact CE1-O 3.38Å; R1014-V1018 WeakPolarHBondContact O-CG2 3.5Å; R1014-V1018 PolarHBondContact O-N 2.97Å; R1014-V1018 VanDerWaalsContact O-N 3.1Å; W1015-V1018 HydrophobicContact CE3-CG2 4.41Å; V1018-S1021 PolarHBondContact O-OG 3.19Å; V1018-S1021 VanDerWaalsContact O-OG 3.09Å
1019	I	94.9	Very high	78.5	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-74.9	-34.1	176.5	-60.1	171.2	0	0	0	110.1	L956 L973 V978 F993 L995 W1015 E1017 A1022 T1023	L956-I1019 HydrophobicContact CD2-CD1 4.26Å; L973-I1019 HydrophobicContact CD1-CG1 4.32Å; L973-I1019 HydrophobicContact CD1-CG2 3.72Å; V978-I1019 HydrophobicContact CG2-CB 4.02Å; V978-I1019 HydrophobicContact CG2-CG2 3.47Å; V978-I1019 VanDerWaalsContact CG2-CG2 3.47Å; F993-I1019 HydrophobicContact CE2-CD1 3.58Å; F993-I1019 HydrophobicContact CZ-CD1 3.88Å; L995-I1019 HydrophobicContact CD1-CD1 4.41Å; L995-I1019 HydrophobicContact CD2-CD1 4.47Å; L995-I1019 HydrophobicContact CD2-CG2 3.97Å; W1015-I1019 HydrophobicContact CE3-CD1 4Å; W1015-I1019 HydrophobicContact CE3-CG1 4.43Å; W1015-I1019 WeakPolarHBondContact O-CB 3.01Å; W1015-I1019 WeakPolarHBondContact O-CD1 3.26Å; W1015-I1019 VanDerWaalsContact O-CG1 3.24Å; W1015-I1019 WeakPolarHBondContact O-CG1 3.15Å; W1015-I1019 PolarHBondContact O-N 3.39Å; E1017-I1019 PolarHBondContact O-N 3.2Å; I1019-A1022 PolarHBondContact O-N 2.72Å; I1019-T1023 HydrophobicContact CG2-CG2 3.92Å; I1019-T1023 WeakPolarHBondContact O-CB 3.26Å; I1019-T1023 WeakPolarHBondContact O-CG2 3.29Å; I1019-T1023 PolarHBondContact O-N 2.97Å; I1019-T1023 VanDerWaalsContact O-N 3.15Å; I1019-T1023 PolarHBondContact O-OG1 2.75Å
1020	R	92.7	Very high	75.8	Confident	106 Å²	106	47.7 Å²	47.7	40%	0.4	24%	0.243	S	C	.	.	H	α-helix	trans	-60.9	-43.8	175.6	-80.2	166.7	-169.5	158	2.2	112	V978 M1016 E1017 A1022 T1023 V1024	V978-R1020 HydrophobicContact CB-CG 4.03Å; V978-R1020 HydrophobicContact CG1-CG 4.48Å; V978-R1020 HydrophobicContact CG2-CG 4.12Å; M1016-R1020 WeakPolarHBondContact O-CB 3.38Å; M1016-R1020 VanDerWaalsContact O-CD 3.32Å; M1016-R1020 WeakPolarHBondContact O-CD 3.34Å; M1016-R1020 WeakPolarHBondContact O-CG 3.49Å; M1016-R1020 PolarHBondContact O-N 2.82Å; M1016-R1020 PolarHBondContact SD-NH2 3.32Å; E1017-R1020 WeakPolarHBondContact O-CB 3.37Å; E1017-R1020 PolarHBondContact O-N 3.27Å; E1017-R1020 VanDerWaalsContact O-N 3.17Å; R1020-A1022 PolarHBondContact O-N 3.27Å; R1020-T1023 VanDerWaalsContact CA-OG1 3.29Å; R1020-T1023 WeakPolarHBondContact CA-OG1 3.28Å; R1020-T1023 PolarHBondContact O-N 3.4Å; R1020-T1023 VanDerWaalsContact O-N 3.09Å; R1020-T1023 PolarHBondContact O-OG1 3.15Å; R1020-V1024 WeakPolarHBondContact O-CB 3.28Å; R1020-V1024 PolarHBondContact O-N 2.71Å
1021	S	88.9	Confident	72.8	Confident	39 Å²	39	52.6 Å²	52.6	27%	0.273	27%	0.27	S	S	.	.	H	α-helix	trans	-64.5	-21.9	-179.5	64.7	0	0	0	0	114	N928 E1017 V1018	N928-S1021 VanDerWaalsContact CG-OG 3.28Å; N928-S1021 PolarHBondContact ND2-OG 2.81Å; N928-S1021 VanDerWaalsContact ND2-OG 3.13Å; E1017-S1021 PolarHBondContact O-N 2.83Å; E1017-S1021 VanDerWaalsContact O-N 3.16Å; V1018-S1021 PolarHBondContact O-OG 3.19Å; V1018-S1021 VanDerWaalsContact O-OG 3.09Å
1022	A	80.7	Confident	69.8	Low	7 Å²	7	57.9 Å²	57.9	6%	0.058	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	3.7	174.9	0	0	0	0	0	115	F951 F954 I1019 R1020	F951-A1022 HydrophobicContact CE2-CB 4.23Å; F951-A1022 HydrophobicContact CZ-CB 3.56Å; F954-A1022 HydrophobicContact CD1-CB 3.85Å; I1019-A1022 PolarHBondContact O-N 2.72Å; R1020-A1022 PolarHBondContact O-N 3.27Å
1023	T	77.2	Confident	66.5	Low	23 Å²	23	63.2 Å²	63.2	14%	0.141	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-34.1	-179.5	47.8	0	0	0	0	113.6	L973 Y976 V978 I1019 R1020	L973-T1023 HydrophobicContact CB-CG2 3.97Å; Y976-T1023 WeakPolarHBondContact O-CB 3.42Å; Y976-T1023 WeakPolarHBondContact O-CG2 3.4Å; V978-T1023 HydrophobicContact CG2-CG2 4.37Å; V978-T1023 WeakPolarHBondContact CG2-OG1 3.31Å; I1019-T1023 HydrophobicContact CG2-CG2 3.92Å; I1019-T1023 WeakPolarHBondContact O-CB 3.26Å; I1019-T1023 WeakPolarHBondContact O-CG2 3.29Å; I1019-T1023 PolarHBondContact O-N 2.97Å; I1019-T1023 VanDerWaalsContact O-N 3.15Å; I1019-T1023 PolarHBondContact O-OG1 2.75Å; R1020-T1023 VanDerWaalsContact CA-OG1 3.29Å; R1020-T1023 WeakPolarHBondContact CA-OG1 3.28Å; R1020-T1023 PolarHBondContact O-N 3.4Å; R1020-T1023 VanDerWaalsContact O-N 3.09Å; R1020-T1023 PolarHBondContact O-OG1 3.15Å
1024	V	65.8	Low	63.1	Low	60 Å²	60	62.9 Å²	62.9	36%	0.364	33%	0.334	S	S	.	.	S	Bend	trans	-100.9	138.1	175.1	-178.5	0	0	0	0	108.3	R1020 Q1028	R1020-V1024 WeakPolarHBondContact O-CB 3.28Å; R1020-V1024 PolarHBondContact O-N 2.71Å; V1024-Q1028 HydrophobicContact CG1-CB 3.96Å; V1024-Q1028 VanDerWaalsContact CG1-OE1 3.29Å
1025	S	51	Low	59.7	Low	25 Å²	25	70.6 Å²	70.6	18%	0.175	37%	0.368	C	S	.	.			trans	-65.6	139.8	-177.1	-154.2	0	0	0	0	112.2	K842 S1027 Q1028	K842-S1025 WeakPolarHBondContact CE-OG 3.28Å; K842-S1025 PolarHBondContact NZ-OG 3.44Å; S1025-S1027 PolarHBondContact O-N 2.86Å; S1025-Q1028 PolarHBondContact O-N 2.64Å
1026	S	44.4	Very low	56.2	Low	38 Å²	38	77 Å²	77	27%	0.266	40%	0.403	S	S	.	.	H	α-helix	trans	-47.2	-27	173.8	40.8	0	0	0	0	114.9	D921 A1029 R1030	D921-S1026 PolarHBondContact OD1-OG 3.48Å; S1026-A1029 PolarHBondContact O-N 2.93Å; S1026-R1030 PolarHBondContact O-N 3.01Å
1027	S	36.4	Very low	52.9	Low	49 Å²	49	82 Å²	82	34%	0.343	44%	0.436	S	S	.	.	H	α-helix	trans	-65.5	-37.7	172.9	50.5	0	0	0	0	114.3	S1025	S1025-S1027 PolarHBondContact O-N 2.86Å
1028	Q	35.2	Very low	49.5	Very low	118 Å²	118	86.1 Å²	86.1	55%	0.551	46%	0.455	S	S	*	.	H	α-helix	trans	-72.7	-30.8	175.5	-93.8	-174.2	-15.7	0	0	112.5	V1024 S1025 L1031 L1032	V1024-Q1028 HydrophobicContact CG1-CB 3.96Å; V1024-Q1028 VanDerWaalsContact CG1-OE1 3.29Å; S1025-Q1028 PolarHBondContact O-N 2.64Å; Q1028-L1031 PolarHBondContact O-N 2.71Å; Q1028-L1032 PolarHBondContact O-N 2.94Å; Q1028-L1032 VanDerWaalsContact O-N 3.1Å
1029	A	33.2	Very low	46.4	Very low	55 Å²	55	91.7 Å²	91.7	46%	0.455	49%	0.491	S	S	.	.	H	α-helix	trans	-63.4	-41.3	176.8	0	0	0	0	0	112	S1026 L1031 L1032 N1033	S1026-A1029 PolarHBondContact O-N 2.93Å; A1029-L1031 VanDerWaalsContact C-N 3.34Å; A1029-L1031 PolarHBondContact O-N 2.93Å; A1029-L1032 PolarHBondContact O-N 3.25Å; A1029-N1033 PolarHBondContact O-N 3.19Å
1030	R	34.1	Very low	43.4	Very low	188 Å²	188	104.4 Å²	104.4	71%	0.709	55%	0.55	S	S	*	*	H	α-helix	trans	-63	-37.7	175.7	-67.7	-175.1	-179.2	-179.5	1.7	112.7	S1026 S1034	S1026-R1030 PolarHBondContact O-N 3.01Å; R1030-S1034 PolarHBondContact O-N 2.8Å
1031	L	30	Very low	40.9	Very low	125 Å²	125	104.4 Å²	104.4	65%	0.654	56%	0.558	S	S	*	*	H	α-helix	trans	-72.2	-23.9	176.5	-84.8	161.6	0	0	0	114.1	Q1028 A1029	Q1028-L1031 PolarHBondContact O-N 2.71Å; A1029-L1031 VanDerWaalsContact C-N 3.34Å; A1029-L1031 PolarHBondContact O-N 2.93Å
1032	L	30.7	Very low	38.4	Very low	133 Å²	133	107.8 Å²	107.8	70%	0.696	57%	0.573	S	S	*	*	H	α-helix	trans	-82.7	-36.4	174.8	-75.7	164.5	0	0	0	112	Q1028 A1029 S1034	Q1028-L1032 PolarHBondContact O-N 2.94Å; Q1028-L1032 VanDerWaalsContact O-N 3.1Å; A1029-L1032 PolarHBondContact O-N 3.25Å; L1032-S1034 VanDerWaalsContact C-N 3.34Å; L1032-S1034 PolarHBondContact O-N 2.98Å
1033	N	27.6	Very low	36	Very low	145 Å²	145	113.4 Å²	113.4	78%	0.775	60%	0.601	S	S	*	*	H	α-helix	trans	-76.5	-11.9	177.2	-83.4	12.3	0	0	0	114.5	A1029 K1035	A1029-N1033 PolarHBondContact O-N 3.19Å; N1033-K1035 VanDerWaalsContact C-N 3.26Å; N1033-K1035 PolarHBondContact O-N 2.76Å
1034	S	24	Very low	33.6	Very low	85 Å²	85	118.7 Å²	118.7	59%	0.594	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	19.2	179.3	88.4	0	0	0	0	114.4	R1030 L1032	R1030-S1034 PolarHBondContact O-N 2.8Å; L1032-S1034 VanDerWaalsContact C-N 3.34Å; L1032-S1034 PolarHBondContact O-N 2.98Å
1035	K	25.1	Very low	31.6	Very low	178 Å²	178	122.4 Å²	122.4	77%	0.774	65%	0.645	S	S	*	*			trans	-116.8	71.7	176.1	-75.8	-166.7	173.4	-173.5	0	111.2	N1033 P1037	N1033-K1035 VanDerWaalsContact C-N 3.26Å; N1033-K1035 PolarHBondContact O-N 2.76Å; K1035-P1037 WeakPolarHBondContact O-CD 3.43Å
1036	D	23	Very low	30.3	Very low	136 Å²	136	128.9 Å²	128.9	73%	0.727	68%	0.676	S	S	*	*			trans	-60.5	128.4	161.8	-77.9	-51.4	0	0	0	110.1	H1038	D1036-H1038 PolarHBondContact O-N 3.43Å
1037	P	27.5	Very low	29.3	Very low	117 Å²	117	135.4 Å²	135.4	76%	0.76	71%	0.706	S	S	*	*			trans	-82.2	102	167.5	31.7	-29.3	0	0	0	108.9	K1035 P1039	K1035-P1037 WeakPolarHBondContact O-CD 3.43Å; P1037-P1039 VanDerWaalsContact O-CD 3.26Å; P1037-P1039 WeakPolarHBondContact O-CD 3.37Å
1038	H	21.3	Very low	28.7	Very low	181 Å²	181	142 Å²	142	84%	0.838	73%	0.733	S	S	*	*			trans	-67	120.5	165	-70	-36.9	0	0	0	109.8	D1036	D1036-H1038 PolarHBondContact O-N 3.43Å
1039	P	31.7	Very low	28.2	Very low	117 Å²	117	144 Å²	144	76%	0.76	75%	0.749	S	S	*	*			trans	-87.8	143.8	171.1	35	-30.4	0	0	0	111.2	P1037	P1037-P1039 VanDerWaalsContact O-CD 3.26Å; P1037-P1039 WeakPolarHBondContact O-CD 3.37Å
1040	H	30.3	Very low	27.7	Very low	268 Å²	268	152.1 Å²	152.1	100%	1.241	78%	0.775	S	S	*	*			trans	-86.4	0	143.8	-85.8	-60.9	0	0	0	108.7

Retrieved 1,040 of 1,040 residues in 3840.3 ms (Link to these results)

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