A0A087XXD2_POEFO Loading...

Aminopeptidase

AlphaFold DB , UniProt , Accession A0A087XXD2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 968 aa.

						>A0A087XXD2_POEFO|A0A087XXD2
MPDSMSMEFERKEKRYCIRGKHAAIICAAVVVCSLAVGLGVGLSRPSSSTPESTPAPTGAPTGAPTGAPTEPPPSDRGPCLASSDSSGDWKNFRLPDYVKPIHYDLHLEPNLVDDTYTGTVDIHVEVSKPTRHLWLHIRETFVSAKPRLKVQDSNGVQRDVEVNRCFEYKPEEYVVVEAAEELPATDPGQVYVLSLDFQGLLTGSVVGFYRVVYTEEGVTKKIAATDHEPTDARKSFPCFDEPNKKATYTISITHDKNYGALSNMPPEGSPEELPGNKLKTTFQKSIPMSTYLVCFAVHQFGFVERTSASNIPLRIYAQPSQLKTAEYAANVTKVIFDHFEEYFNMSYSISKLDKIAIPDFGTGAMENWGLITYRETNLLYDEKESSSSNKQRVASVIAHELVHQWFGNIVTMDWWDDLWLNEGFASFFEYIGVEEAEPTWGMRDIMIISDVLPVMVDDALISSHPIIVDVSSPAEITSVFDAISYSKGASVLRMLEDWMGRDVFRDGCRKYLKEFYFKNAKTANFWASLAEVSNLPVAEVMDTWTKQMGYPVVDVTVSESNAKLTQKRFLLDPLADPSKPNSPFQYKWTIPVKWYSVKSNKIEETMFNKNTAELAIIDYSPSADGLLKINNDHIGFYRVNHEDSMWTVISQQLQDNHTTFDAADRTSFIDDVFALARADIVNYGNAFNLTKYLREESEYIVWSRVASSIAYVRDMLSNNKDLYEKFQKLFRELVKPIATRLGWTDEGTQTERLLRETVLSIACQMGDADALNEASDIFKQWIDKTLSSVPVNLRLLVYRYGMKMSRSPDHWNQMFQRYKDSTLAQEKDKLLYGLASVEDTDLLNKLLEATKDETVVRSQDLFTVVRYVSYNPLGQTMAWDWTTLNWDYLVSRYTINDRNLGRLPNRITTSYNTKLQLWQMENFFKLTPDAGAGEMPRQQALETVRNNIEWIEKNELEIKAWLDSNVS
					

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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	27.8	Very low	31.4	Very low	242 Å²	242	167.5 Å²	167.5	100%	1.192	84%	0.841	S	S	*	*				0	131.7	0	-87.2	-168.9	-178.4	0	0	107.9
2	P	50.7	Low	31.1	Very low	102 Å²	102	169.2 Å²	169.2	66%	0.662	84%	0.839	S	S	*	*				-134.3	165.3	-50.3	9.2	15.8	0	0	0	109.7
3	D	31.2	Very low	31.1	Very low	153 Å²	153	168.5 Å²	168.5	82%	0.818	83%	0.832	S	S	*	*			cis	-164.7	156.8	22.3	-89.7	-31.6	0	0	0	106.2
4	S	29.3	Very low	30.9	Very low	102 Å²	102	169.9 Å²	169.9	71%	0.713	83%	0.831	S	S	*	*			cis	-158.6	124.3	7.8	54	0	0	0	0	110.7
5	M	29.3	Very low	31	Very low	160 Å²	160	172.8 Å²	172.8	79%	0.788	83%	0.83	S	S	*	*			trans	51.2	112.7	134.9	-67.3	-178.2	73.4	0	0	122.4	M7	M5-M7 HydrophobicContact CE-CE 3.93Å
6	S	29.1	Very low	31.6	Very low	114 Å²	114	175.4 Å²	175.4	80%	0.797	83%	0.83	S	S	*	*			trans	-58.1	141.4	146.1	57.9	0	0	0	0	112.3
7	M	27.6	Very low	32	Very low	148 Å²	148	172.1 Å²	172.1	73%	0.729	83%	0.828	S	S	*	*			trans	-133.1	118.8	155.8	-79.3	-172.3	-161.1	0	0	110.2	M5	M5-M7 HydrophobicContact CE-CE 3.93Å
8	E	29.4	Very low	32.7	Very low	191 Å²	191	168.8 Å²	168.8	89%	0.893	82%	0.815	S	S	*	*			trans	-52.4	134	157.4	-72.9	167.7	122.4	0	0	110.1
9	F	29.1	Very low	33.9	Very low	205 Å²	205	170.5 Å²	170.5	90%	0.899	81%	0.812	S	S	*	*			trans	-99.9	103	164.3	-97.4	-86	0	0	0	109.4
10	E	29.7	Very low	34.9	Very low	174 Å²	174	165 Å²	165	81%	0.813	80%	0.802	S	S	*	*			trans	-58.3	129.7	168	-72.5	179.1	139.5	0	0	111.6	K12	E10-K12 PolarHBondContact O-N 3.48Å
11	R	31.9	Very low	35.6	Very low	251 Å²	251	165.3 Å²	165.3	95%	0.947	80%	0.799	S	S	*	*			trans	-60.8	110	162.8	-102.8	179.3	-175	178.9	2.7	109.6	E13	R11-E13 PolarHBondContact O-N 2.85Å
12	K	27.9	Very low	36.9	Very low	188 Å²	188	159 Å²	159	82%	0.817	77%	0.767	S	S	*	*			trans	-85.2	98.6	163	-92.8	-179.9	176.9	169.9	0	110.3	E10 K14	E10-K12 PolarHBondContact O-N 3.48Å; K12-K14 PolarHBondContact O-N 3.12Å
13	E	32	Very low	37.4	Very low	161 Å²	161	156.3 Å²	156.3	75%	0.752	75%	0.753	S	S	*	*			trans	-63.7	113.3	156.9	-78.1	-173.5	164.3	0	0	109.4	R11 R15	R11-E13 PolarHBondContact O-N 2.85Å; E13-R15 PolarHBondContact O-N 2.83Å
14	K	28.3	Very low	39	Very low	187 Å²	187	151.9 Å²	151.9	81%	0.813	74%	0.737	S	S	*	*			trans	-83.3	90.9	166.4	-78.8	-177	179.2	175.1	0	109.2	K12 Y16	K12-K14 PolarHBondContact O-N 3.12Å; K14-Y16 PolarHBondContact O-N 3.33Å
15	R	32.5	Very low	40.8	Very low	214 Å²	214	152.4 Å²	152.4	81%	0.808	73%	0.731	S	S	*	*			trans	-70.7	111.9	161.5	-80.3	-178.5	175.7	-175	-3	109.4	E13 C17	E13-R15 PolarHBondContact O-N 2.83Å; R15-C17 PolarHBondContact O-N 3.02Å
16	Y	39.4	Very low	42.7	Very low	215 Å²	215	149.7 Å²	149.7	84%	0.843	72%	0.719	S	S	*	*			trans	-71.5	94.3	165.5	-97.6	-94.5	0	0	0	109.2	K14 I18	K14-Y16 PolarHBondContact O-N 3.33Å; Y16-I18 PolarHBondContact O-N 3.33Å
17	C	38.4	Very low	44.5	Very low	118 Å²	118	148.1 Å²	148.1	80%	0.797	71%	0.707	S	S	*	*			trans	-75.8	99.9	168.1	-115.2	0	0	0	0	108.8	R15 R19	R15-C17 PolarHBondContact O-N 3.02Å; C17-R19 PolarHBondContact O-N 2.69Å
18	I	45.2	Very low	46.5	Very low	113 Å²	113	143.6 Å²	143.6	58%	0.579	69%	0.693	S	S	*	*			trans	-61.7	106.8	164.7	-62.9	177.3	0	0	0	106.7	Y16 G20 H22 A23	Y16-I18 PolarHBondContact O-N 3.33Å; I18-G20 PolarHBondContact O-N 3.15Å; I18-H22 HydrophobicContact CG2-CB 3.8Å; I18-A23 HydrophobicContact CG2-CB 4.36Å
19	R	55.8	Low	48.4	Very low	202 Å²	202	137 Å²	137	76%	0.762	67%	0.671	S	S	*	*			trans	-55.2	128.6	174.3	-73.1	178.5	170.7	-179.2	-3	108	C17 K21 H22	C17-R19 PolarHBondContact O-N 2.69Å; R19-K21 PolarHBondContact O-N 3.13Å; R19-H22 PolarHBondContact O-N 2.85Å
20	G	53.9	Low	50.5	Low	59 Å²	59	131.2 Å²	131.2	61%	0.608	65%	0.652	S	S	*	*	H	α-helix	trans	-50	-20.5	-172.5	0	0	0	0	0	116.4	I18 H22 A24	I18-G20 PolarHBondContact O-N 3.15Å; G20-H22 VanDerWaalsContact C-N 3.34Å; G20-H22 PolarHBondContact O-N 2.91Å; G20-A24 PolarHBondContact O-N 2.8Å; G20-A24 VanDerWaalsContact O-N 3.11Å
21	K	49.9	Very low	52.7	Low	172 Å²	172	126.9 Å²	126.9	75%	0.748	64%	0.638	S	S	*	*	H	α-helix	trans	-64.3	-31	170.6	-66.1	-172	176	-174.3	0	114.1	R19 I25	R19-K21 PolarHBondContact O-N 3.13Å; K21-I25 WeakPolarHBondContact O-CD1 3.49Å; K21-I25 VanDerWaalsContact O-CG1 3.26Å; K21-I25 WeakPolarHBondContact O-CG1 3.42Å; K21-I25 PolarHBondContact O-N 2.8Å
22	H	54.4	Low	54.7	Low	110 Å²	110	119.6 Å²	119.6	51%	0.509	62%	0.621	S	S	.	*	H	α-helix	trans	-81.2	-36.1	178.6	-65	77.9	0	0	0	111.9	I18 R19 G20 A24 I25 I26	I18-H22 HydrophobicContact CG2-CB 3.8Å; R19-H22 PolarHBondContact O-N 2.85Å; G20-H22 VanDerWaalsContact C-N 3.34Å; G20-H22 PolarHBondContact O-N 2.91Å; H22-A24 VanDerWaalsContact C-N 3.32Å; H22-I25 PolarHBondContact O-N 2.99Å; H22-I26 VanDerWaalsContact O-CG1 3.3Å; H22-I26 WeakPolarHBondContact O-CG1 3.19Å; H22-I26 PolarHBondContact O-N 3.16Å
23	A	60.8	Low	56.5	Low	45 Å²	45	114.6 Å²	114.6	37%	0.372	61%	0.609	S	S	.	*	H	α-helix	trans	-62.8	-40.6	171.4	0	0	0	0	0	111.3	I18 I25 I26 C27	I18-A23 HydrophobicContact CG2-CB 4.36Å; A23-I25 PolarHBondContact O-N 3.43Å; A23-I26 PolarHBondContact O-N 2.93Å; A23-C27 PolarHBondContact O-N 3.01Å; A23-C27 PolarHBondContact O-SG 2.99Å; A23-C27 VanDerWaalsContact O-SG 3.35Å
24	A	64.6	Low	57.7	Low	60 Å²	60	110.5 Å²	110.5	50%	0.496	60%	0.598	S	S	.	*	H	α-helix	trans	-63.3	-38.1	175.4	0	0	0	0	0	113	G20 H22 A28	G20-A24 PolarHBondContact O-N 2.8Å; G20-A24 VanDerWaalsContact O-N 3.11Å; H22-A24 VanDerWaalsContact C-N 3.32Å; A24-A28 VanDerWaalsContact O-CB 3.31Å; A24-A28 WeakPolarHBondContact O-CB 3.32Å; A24-A28 PolarHBondContact O-N 2.86Å
25	I	68.3	Low	59.3	Low	113 Å²	113	106.6 Å²	106.6	58%	0.579	59%	0.585	S	S	*	*	H	α-helix	trans	-68.9	-41	176.9	-68.7	165	0	0	0	111	K21 H22 A23 A28 A29	K21-I25 WeakPolarHBondContact O-CD1 3.49Å; K21-I25 VanDerWaalsContact O-CG1 3.26Å; K21-I25 WeakPolarHBondContact O-CG1 3.42Å; K21-I25 PolarHBondContact O-N 2.8Å; H22-I25 PolarHBondContact O-N 2.99Å; A23-I25 PolarHBondContact O-N 3.43Å; I25-A28 PolarHBondContact O-N 3.1Å; I25-A29 WeakPolarHBondContact O-CB 3.39Å; I25-A29 PolarHBondContact O-N 2.85Å
26	I	68.8	Low	60.7	Low	103 Å²	103	99.4 Å²	99.4	53%	0.528	57%	0.572	S	S	.	*	H	α-helix	trans	-64.8	-45.4	177	-67	166	0	0	0	110.3	H22 A23 A28 A29 V30	H22-I26 VanDerWaalsContact O-CG1 3.3Å; H22-I26 WeakPolarHBondContact O-CG1 3.19Å; H22-I26 PolarHBondContact O-N 3.16Å; A23-I26 PolarHBondContact O-N 2.93Å; I26-A28 VanDerWaalsContact C-N 3.34Å; I26-A28 PolarHBondContact O-N 2.88Å; I26-A29 PolarHBondContact O-N 2.79Å; I26-V30 WeakPolarHBondContact O-CG2 3.42Å; I26-V30 PolarHBondContact O-N 2.76Å
27	C	67.4	Low	61.8	Low	82 Å²	82	93.9 Å²	93.9	55%	0.554	56%	0.56	S	S	*	*	H	α-helix	trans	-63.2	-39.5	175.8	-69.1	0	0	0	0	112.3	A23 V30 V31	A23-C27 PolarHBondContact O-N 3.01Å; A23-C27 PolarHBondContact O-SG 2.99Å; A23-C27 VanDerWaalsContact O-SG 3.35Å; C27-V30 PolarHBondContact O-N 3.39Å; C27-V31 WeakPolarHBondContact O-CG2 3.49Å; C27-V31 PolarHBondContact O-N 2.78Å
28	A	69.3	Low	62.6	Low	53 Å²	53	90.5 Å²	90.5	44%	0.438	55%	0.546	S	S	.	.	H	α-helix	trans	-64.7	-40.4	175.8	0	0	0	0	0	112.1	A24 I25 I26 V31 V32	A24-A28 VanDerWaalsContact O-CB 3.31Å; A24-A28 WeakPolarHBondContact O-CB 3.32Å; A24-A28 PolarHBondContact O-N 2.86Å; I25-A28 PolarHBondContact O-N 3.1Å; I26-A28 VanDerWaalsContact C-N 3.34Å; I26-A28 PolarHBondContact O-N 2.88Å; A28-V31 PolarHBondContact O-N 2.94Å; A28-V32 VanDerWaalsContact O-CG2 3.28Å; A28-V32 WeakPolarHBondContact O-CG2 3.14Å; A28-V32 PolarHBondContact O-N 2.87Å
29	A	69.8	Low	62.9	Low	52 Å²	52	90.4 Å²	90.4	43%	0.43	55%	0.546	S	S	.	.	H	α-helix	trans	-64.4	-42.1	176.8	0	0	0	0	0	111.9	I25 I26 V32 C33	I25-A29 WeakPolarHBondContact O-CB 3.39Å; I25-A29 PolarHBondContact O-N 2.85Å; I26-A29 PolarHBondContact O-N 2.79Å; A29-V32 PolarHBondContact O-N 2.87Å; A29-C33 WeakPolarHBondContact O-CB 3.18Å; A29-C33 PolarHBondContact O-N 2.91Å; A29-C33 PolarHBondContact O-SG 2.96Å; A29-C33 VanDerWaalsContact O-SG 3.38Å
30	V	72.3	Confident	62.5	Low	83 Å²	83	83 Å²	83	50%	0.503	53%	0.532	S	S	.	.	H	α-helix	trans	-62.4	-45.7	176.5	172.9	0	0	0	0	110.9	I26 C27 V32 C33 S34	I26-V30 WeakPolarHBondContact O-CG2 3.42Å; I26-V30 PolarHBondContact O-N 2.76Å; C27-V30 PolarHBondContact O-N 3.39Å; V30-V32 PolarHBondContact O-N 3.1Å; V30-C33 PolarHBondContact O-N 2.89Å; V30-S34 PolarHBondContact O-N 2.83Å; V30-S34 PolarHBondContact O-OG 2.77Å
31	V	75.5	Confident	62.2	Low	83 Å²	83	85.1 Å²	85.1	50%	0.503	53%	0.533	S	S	.	.	H	α-helix	trans	-63.8	-40	178.9	172.1	0	0	0	0	112	C27 A28 S34 L35	C27-V31 WeakPolarHBondContact O-CG2 3.49Å; C27-V31 PolarHBondContact O-N 2.78Å; A28-V31 PolarHBondContact O-N 2.94Å; V31-S34 PolarHBondContact O-N 2.69Å; V31-L35 HydrophobicContact CG1-CD1 3.88Å; V31-L35 WeakPolarHBondContact O-CB 3.3Å; V31-L35 WeakPolarHBondContact O-CG 3.36Å; V31-L35 PolarHBondContact O-N 2.81Å
32	V	74.6	Confident	61.8	Low	98 Å²	98	79.6 Å²	79.6	59%	0.594	53%	0.525	S	S	*	.	H	α-helix	trans	-66.6	-41	177	172.5	0	0	0	0	111.2	A28 A29 V30 L35 A36	A28-V32 VanDerWaalsContact O-CG2 3.28Å; A28-V32 WeakPolarHBondContact O-CG2 3.14Å; A28-V32 PolarHBondContact O-N 2.87Å; A29-V32 PolarHBondContact O-N 2.87Å; V30-V32 PolarHBondContact O-N 3.1Å; V32-L35 PolarHBondContact O-N 2.89Å; V32-A36 WeakPolarHBondContact O-CB 3.36Å; V32-A36 PolarHBondContact O-N 3.09Å
33	C	64.4	Low	61.1	Low	83 Å²	83	81.4 Å²	81.4	56%	0.561	54%	0.538	S	S	*	.	H	α-helix	trans	-64.6	-42.6	174.8	-73.5	0	0	0	0	112.1	A29 V30 L35 A36 V37	A29-C33 WeakPolarHBondContact O-CB 3.18Å; A29-C33 PolarHBondContact O-N 2.91Å; A29-C33 PolarHBondContact O-SG 2.96Å; A29-C33 VanDerWaalsContact O-SG 3.38Å; V30-C33 PolarHBondContact O-N 2.89Å; C33-L35 PolarHBondContact O-N 2.82Å; C33-A36 PolarHBondContact O-N 3.37Å; C33-V37 WeakPolarHBondContact O-CG2 3.26Å; C33-V37 PolarHBondContact O-N 3.36Å
34	S	58.3	Low	60.1	Low	75 Å²	75	83.5 Å²	83.5	52%	0.524	55%	0.55	S	S	.	.	H	α-helix	trans	-64.7	-38.8	177.2	-55.1	0	0	0	0	112.6	V30 V31 G38	V30-S34 PolarHBondContact O-N 2.83Å; V30-S34 PolarHBondContact O-OG 2.77Å; V31-S34 PolarHBondContact O-N 2.69Å; S34-G38 PolarHBondContact O-N 3.16Å
35	L	61.8	Low	58.8	Low	105 Å²	105	91.3 Å²	91.3	55%	0.55	57%	0.566	S	S	.	*	H	α-helix	trans	-69.5	-37.9	176	-79.6	164.9	0	0	0	112.3	V31 V32 C33 G38 L39	V31-L35 HydrophobicContact CG1-CD1 3.88Å; V31-L35 WeakPolarHBondContact O-CB 3.3Å; V31-L35 WeakPolarHBondContact O-CG 3.36Å; V31-L35 PolarHBondContact O-N 2.81Å; V32-L35 PolarHBondContact O-N 2.89Å; C33-L35 PolarHBondContact O-N 2.82Å; L35-G38 PolarHBondContact O-N 2.82Å; L35-L39 WeakPolarHBondContact O-CB 3.32Å; L35-L39 PolarHBondContact O-N 3.38Å
36	A	62.7	Low	57.2	Low	64 Å²	64	92.3 Å²	92.3	53%	0.529	58%	0.58	S	S	.	*	H	α-helix	trans	-65.1	-40.3	176.3	0	0	0	0	0	112	V32 C33 G40	V32-A36 WeakPolarHBondContact O-CB 3.36Å; V32-A36 PolarHBondContact O-N 3.09Å; C33-A36 PolarHBondContact O-N 3.37Å; A36-G40 PolarHBondContact O-N 3.48Å
37	V	61.3	Low	55.5	Low	98 Å²	98	92.6 Å²	92.6	59%	0.594	59%	0.591	S	S	*	*	H	α-helix	trans	-69.6	-42	175.5	175.8	0	0	0	0	111.1	C33 L39 G40 V41	C33-V37 WeakPolarHBondContact O-CG2 3.26Å; C33-V37 PolarHBondContact O-N 3.36Å; V37-L39 PolarHBondContact O-N 3.35Å; V37-G40 PolarHBondContact O-N 2.87Å; V37-V41 WeakPolarHBondContact O-CG2 3.27Å; V37-V41 PolarHBondContact O-N 2.97Å; V37-V41 VanDerWaalsContact O-N 3.14Å
38	G	55.2	Low	53.8	Low	48 Å²	48	94.1 Å²	94.1	50%	0.495	60%	0.603	S	S	.	*	H	α-helix	trans	-62.9	-39	177	0	0	0	0	0	113.8	S34 L35 G42	S34-G38 PolarHBondContact O-N 3.16Å; L35-G38 PolarHBondContact O-N 2.82Å; G38-G42 PolarHBondContact O-N 3.44Å
39	L	51.5	Low	51.9	Low	111 Å²	111	97.5 Å²	97.5	58%	0.581	62%	0.623	S	S	*	*	H	α-helix	trans	-74.2	-33.4	176.4	-80.1	159.3	0	0	0	112.7	L35 V37 G42 L43	L35-L39 WeakPolarHBondContact O-CB 3.32Å; L35-L39 PolarHBondContact O-N 3.38Å; V37-L39 PolarHBondContact O-N 3.35Å; L39-G42 PolarHBondContact O-N 2.87Å; L39-L43 WeakPolarHBondContact O-CD1 3.19Å; L39-L43 WeakPolarHBondContact O-CG 3.41Å; L39-L43 PolarHBondContact O-N 2.84Å
40	G	46.9	Very low	49.9	Very low	47 Å²	47	101.6 Å²	101.6	49%	0.485	64%	0.643	S	S	.	*	H	α-helix	trans	-67.1	-36.5	176.1	0	0	0	0	0	113.7	A36 V37 S44	A36-G40 PolarHBondContact O-N 3.48Å; V37-G40 PolarHBondContact O-N 2.87Å; G40-S44 PolarHBondContact O-OG 3.45Å
41	V	48.3	Very low	48.6	Very low	103 Å²	103	102.9 Å²	102.9	62%	0.624	65%	0.653	S	S	*	*	H	α-helix	trans	-81.5	-25.8	178.4	-179.6	0	0	0	0	112	V37	V37-V41 WeakPolarHBondContact O-CG2 3.27Å; V37-V41 PolarHBondContact O-N 2.97Å; V37-V41 VanDerWaalsContact O-N 3.14Å
42	G	41.7	Very low	46.3	Very low	56 Å²	56	107.8 Å²	107.8	58%	0.577	67%	0.671	S	S	*	*	H	α-helix	trans	-76.6	-25.1	177.5	0	0	0	0	0	115.3	G38 L39	G38-G42 PolarHBondContact O-N 3.44Å; L39-G42 PolarHBondContact O-N 2.87Å
43	L	39.3	Very low	43.9	Very low	148 Å²	148	108.9 Å²	108.9	78%	0.775	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	0.5	-174.3	-73.8	167.9	0	0	0	114.9	L39	L39-L43 WeakPolarHBondContact O-CD1 3.19Å; L39-L43 WeakPolarHBondContact O-CG 3.41Å; L39-L43 PolarHBondContact O-N 2.84Å
44	S	41.3	Very low	42.3	Very low	89 Å²	89	111.4 Å²	111.4	62%	0.622	70%	0.695	S	S	*	*	S	Bend	trans	-106.7	19	-176.2	33.5	0	0	0	0	114.7	G40	G40-S44 PolarHBondContact O-OG 3.45Å
45	R	37.3	Very low	40.9	Very low	224 Å²	224	113.9 Å²	113.9	85%	0.845	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-103.6	119.9	171.2	-79.1	-175.7	171.2	174.9	-1.8	111.7
46	P	34.3	Very low	39.2	Very low	133 Å²	133	113 Å²	113	86%	0.864	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-78.8	134.2	171.2	-1.3	17.8	0	0	0	111.3
47	S	32.5	Very low	38.3	Very low	110 Å²	110	115.2 Å²	115.2	77%	0.769	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-101.9	119.1	178.1	52.5	0	0	0	0	113.2
48	S	32.2	Very low	36.6	Very low	114 Å²	114	117.4 Å²	117.4	80%	0.797	74%	0.741	S	S	*	*			trans	46	130.3	140.7	65.9	0	0	0	0	123.2
49	S	28.3	Very low	35.3	Very low	123 Å²	123	119 Å²	119	86%	0.86	76%	0.757	S	S	*	*			trans	-150.1	132.1	144.8	59.8	0	0	0	0	112.2
50	T	29.4	Very low	34.2	Very low	138 Å²	138	118.3 Å²	118.3	85%	0.847	77%	0.767	S	S	*	*			trans	-119	171.8	169.7	8.3	0	0	0	0	108.7
51	P	43.8	Very low	33.4	Very low	110 Å²	110	122.3 Å²	122.3	71%	0.714	78%	0.784	S	S	*	*			cis	-138.9	-177.6	4.6	36.3	-13.5	0	0	0	117.4
52	E	27	Very low	32.5	Very low	187 Å²	187	124.3 Å²	124.3	87%	0.874	80%	0.797	S	S	*	*			trans	83.5	108.3	157.8	-77.9	-176.5	172.3	0	0	122.9
53	S	24.1	Very low	31.8	Very low	120 Å²	120	125.2 Å²	125.2	84%	0.839	81%	0.806	S	S	*	*				154	128.9	110.3	55.7	0	0	0	0	112.2
54	T	31.1	Very low	31.3	Very low	136 Å²	136	122.6 Å²	122.6	83%	0.834	81%	0.807	S	S	*	*			trans	-75.9	150.8	173.8	-11.5	0	0	0	0	110.5
55	P	28.1	Very low	30.9	Very low	127 Å²	127	124.3 Å²	124.3	83%	0.825	82%	0.816	S	S	*	*				-145	165.6	72.7	32	-10	0	0	0	116.6
56	A	26.3	Very low	30.9	Very low	87 Å²	87	120.4 Å²	120.4	72%	0.719	82%	0.816	S	S	*	*			trans	-75.3	-171.6	174.9	0	0	0	0	0	113
57	P	44.4	Very low	30.8	Very low	111 Å²	111	117.8 Å²	117.8	72%	0.721	81%	0.814	S	S	*	*			cis	-135.6	171.7	-11.2	39.1	-21.7	0	0	0	114.3
58	T	25.3	Very low	30.9	Very low	144 Å²	144	116.8 Å²	116.8	88%	0.883	81%	0.812	S	S	*	*				177.3	135.4	124	23.8	0	0	0	0	111.5
59	G	28.8	Very low	31.1	Very low	82 Å²	82	117.3 Å²	117.3	85%	0.845	81%	0.813	S	S	*	*			trans	-85.3	165.1	-169.1	0	0	0	0	0	115.7
60	A	27.8	Very low	31.7	Very low	96 Å²	96	118.2 Å²	118.2	79%	0.793	81%	0.813	S	S	*	*			trans	-139.4	149.9	164.3	0	0	0	0	0	109
61	P	31	Very low	31.8	Very low	130 Å²	130	119.8 Å²	119.8	84%	0.844	81%	0.811	S	S	*	*			trans	-83.9	145.6	-151.4	33.7	-35.7	0	0	0	113.7	G63	P61-G63 PolarHBondContact O-N 3.45Å
62	T	27.6	Very low	31.6	Very low	145 Å²	145	120.2 Å²	120.2	89%	0.89	81%	0.814	S	S	*	*			trans	-67.9	113.2	173.2	43.6	0	0	0	0	111.6
63	G	28.6	Very low	32.5	Very low	75 Å²	75	114.2 Å²	114.2	77%	0.773	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-88.6	123.5	151.8	0	0	0	0	0	108.8	P61	P61-G63 PolarHBondContact O-N 3.45Å
64	A	28.7	Very low	33.7	Very low	94 Å²	94	113.4 Å²	113.4	78%	0.777	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-66.8	141	177.5	0	0	0	0	0	111
65	P	33	Very low	34.7	Very low	125 Å²	125	112.3 Å²	112.3	81%	0.812	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-74.1	142.5	169.9	13.8	-2.3	0	0	0	110.9
66	T	36.2	Very low	36.2	Very low	141 Å²	141	112.3 Å²	112.3	87%	0.865	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-52.6	146.8	172.1	32.7	0	0	0	0	112.6
67	G	33.4	Very low	38.7	Very low	79 Å²	79	112.1 Å²	112.1	81%	0.814	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-57.2	136.9	-167.2	0	0	0	0	0	114.9
68	A	33.3	Very low	40.8	Very low	88 Å²	88	108.2 Å²	108.2	73%	0.727	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-63.6	161.2	164.4	0	0	0	0	0	110.9	T70	A68-T70 PolarHBondContact O-N 3.1Å
69	P	36.9	Very low	44.1	Very low	126 Å²	126	104.1 Å²	104.1	82%	0.818	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-57.6	131.5	175.7	-13.1	26.5	0	0	0	109.5	E71	P69-E71 PolarHBondContact O-N 3.06Å
70	T	40.1	Very low	47.3	Very low	141 Å²	141	100.3 Å²	100.3	87%	0.865	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-52.1	123.5	175.5	-26.6	0	0	0	0	109.1	A68	A68-T70 PolarHBondContact O-N 3.1Å
71	E	32.9	Very low	50.4	Low	171 Å²	171	100 Å²	100	80%	0.799	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-51.7	142.2	172.3	-80	-178.2	150.4	0	0	110	P69	P69-E71 PolarHBondContact O-N 3.06Å
72	P	38.8	Very low	53.4	Low	119 Å²	119	97.2 Å²	97.2	77%	0.773	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-58.4	133.6	173.3	0.3	7.2	0	0	0	107.9
73	P	45.7	Very low	56.6	Low	62 Å²	62	92 Å²	92	40%	0.403	61%	0.613	S	S	.	*	P	Polyproline II helix	trans	-70.9	162.8	-176.1	28	-33.3	0	0	0	112.3	R77	P73-R77 VanDerWaalsContact CG-NH1 3.33Å; P73-R77 VanDerWaalsContact CG-NH2 3.29Å
74	P	49.5	Very low	59.7	Low	102 Å²	102	93.9 Å²	93.9	66%	0.662	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-56.1	143.3	-175.8	-22.3	31.8	0	0	0	113	D76 R77	P74-D76 VanDerWaalsContact C-N 3.27Å; P74-D76 PolarHBondContact O-N 3.39Å; P74-R77 WeakPolarHBondContact O-CG 3.11Å
75	S	51.6	Low	62.8	Low	113 Å²	113	91 Å²	91	79%	0.79	59%	0.585	S	S	*	*	S	Bend	trans	-70.1	-13.7	-176.7	57.8	0	0	0	0	115.3	R77	S75-R77 PolarHBondContact O-N 2.79Å
76	D	60.4	Low	65.7	Low	128 Å²	128	88.1 Å²	88.1	68%	0.684	57%	0.568	S	S	*	*			trans	-102.9	55.4	-173.9	-70.2	-8.2	0	0	0	111.6	P74 G78	P74-D76 VanDerWaalsContact C-N 3.27Å; P74-D76 PolarHBondContact O-N 3.39Å; D76-G78 PolarHBondContact O-N 3.1Å
77	R	77.8	Confident	68.5	Low	83 Å²	83	86.1 Å²	86.1	31%	0.313	56%	0.56	S	S	.	*			trans	-90.5	95.7	-179.6	-79.2	173.3	163.8	-155.3	-9.2	110.4	P73 P74 S75 F142	P73-R77 VanDerWaalsContact CG-NH1 3.33Å; P73-R77 VanDerWaalsContact CG-NH2 3.29Å; P74-R77 WeakPolarHBondContact O-CG 3.11Å; S75-R77 PolarHBondContact O-N 2.79Å; R77-F142 HydrophobicContact CB-CB 4.41Å; R77-F142 HydrophobicContact CB-CD1 3.94Å; R77-F142 HydrophobicContact CB-CD2 3.66Å; R77-F142 HydrophobicContact CB-CE1 4.06Å; R77-F142 HydrophobicContact CB-CE2 3.79Å; R77-F142 HydrophobicContact CB-CG 3.73Å; R77-F142 HydrophobicContact CB-CZ 3.98Å; R77-F142 HydrophobicContact CG-CD1 4.39Å; R77-F142 HydrophobicContact CG-CE1 4.15Å; R77-F142 HydrophobicContact CG-CE2 4.44Å; R77-F142 HydrophobicContact CG-CZ 4.17Å; R77-F142 WeakPolarHBondContact O-CD2 2.92Å
78	G	89.1	Confident	71.4	Confident	28 Å²	28	82.9 Å²	82.9	29%	0.289	53%	0.527	S	S	.	.	S	Bend	trans	87.5	179.8	173.5	0	0	0	0	0	115.1	D76 V143	D76-G78 PolarHBondContact O-N 3.1Å; G78-V143 WeakPolarHBondContact CA-O 3.16Å
79	P	94.8	Very high	74.3	Confident	58 Å²	58	82.4 Å²	82.4	38%	0.377	51%	0.512	S	S	.	.	S	Bend	trans	-82	-15.7	-171.8	28.9	-31.5	0	0	0	115	L81 V143 A145	P79-L81 PolarHBondContact O-N 2.83Å; P79-V143 WeakPolarHBondContact CD-O 3.39Å; P79-A145 WeakPolarHBondContact CG-O 3.29Å
80	C	95.3	Very high	77.2	Confident	3 Å²	3	76.5 Å²	76.5	2%	0.02	47%	0.473	C	S	.	.	S	Bend	trans	-96.9	84.6	-179	-50.4	0	0	0	0	110	V143 C166 V175	C80-V143 HydrophobicContact CB-CB 4.42Å; C80-C166 WeakPolarHBondContact CA-SG 3.31Å; C80-C166 HydrophobicContact CB-CB 3.9Å; C80-C166 WeakPolarHBondContact CB-SG 3.31Å; C80-C166 WeakPolarHBondContact SG-CB 3Å; C80-C166 CovalentContact SG-SG 2.04Å; C80-C166 PolarHBondContact SG-SG 3.26Å; C80-V175 HydrophobicContact CB-CG2 4.18Å
81	L	94.3	Very high	79.9	Confident	89 Å²	89	74.7 Å²	74.7	47%	0.466	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	156.3	-177.3	-58.6	178.1	0	0	0	111.9	P79 S83 F167 E168	P79-L81 PolarHBondContact O-N 2.83Å; L81-S83 PolarHBondContact O-N 2.9Å; L81-F167 CarbonylContact O-C 2.85Å; L81-F167 VanDerWaalsContact O-CA 3.26Å; L81-F167 WeakPolarHBondContact O-CA 3.44Å; L81-F167 VanDerWaalsContact O-CB 3.31Å; L81-F167 WeakPolarHBondContact O-CB 3.33Å; L81-E168 PolarHBondContact O-N 3.39Å
82	A	94.3	Very high	83	Confident	71 Å²	71	70.3 Å²	70.3	59%	0.587	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.9	137.1	172.9	0	0	0	0	0	111.2	E168 K170	A82-E168 WeakPolarHBondContact CA-O 3.33Å; A82-K170 HydrophobicContact CB-CG 4.42Å
83	S	94.6	Very high	85.8	Confident	37 Å²	37	66.2 Å²	66.2	26%	0.259	41%	0.406	S	S	.	.			trans	-135.3	146.4	-178.2	179.1	0	0	0	0	111	L81 D85 E168	L81-S83 PolarHBondContact O-N 2.9Å; S83-D85 VanDerWaalsContact OG-CB 3.25Å; S83-D85 WeakPolarHBondContact OG-CB 3.36Å; S83-D85 PolarHBondContact OG-N 2.86Å; S83-D85 VanDerWaalsContact OG-N 3.09Å; S83-E168 PolarHBondContact N-O 2.97Å
84	S	93.4	Very high	88.3	Confident	113 Å²	113	67.2 Å²	67.2	79%	0.79	40%	0.401	S	S	*	.			trans	-96.9	8.2	170.8	57.5	0	0	0	0	113	S86	S84-S86 PolarHBondContact O-N 2.55Å
85	D	93.4	Very high	90.6	Very high	34 Å²	34	62.6 Å²	62.6	18%	0.182	37%	0.371	C	S	.	.			trans	-59.3	109.9	174.8	-173.7	-5.3	0	0	0	109.9	S83 S87 W90 R165 F167	S83-D85 VanDerWaalsContact OG-CB 3.25Å; S83-D85 WeakPolarHBondContact OG-CB 3.36Å; S83-D85 PolarHBondContact OG-N 2.86Å; S83-D85 VanDerWaalsContact OG-N 3.09Å; D85-S87 VanDerWaalsContact OD1-CB 3.3Å; D85-S87 WeakPolarHBondContact OD1-CB 3.28Å; D85-S87 PolarHBondContact OD1-N 2.95Å; D85-S87 PolarHBondContact OD1-OG 3.3Å; D85-W90 PolarHBondContact O-NE1 3.08Å; D85-R165 IonicContact OD2-CZ 3.45Å; D85-R165 IonicContact OD2-NH1 3.09Å; D85-R165 PolarHBondContact OD2-NH1 3.24Å; D85-R165 IonicContact OD2-NH2 2.87Å; D85-R165 PolarHBondContact OD2-NH2 2.92Å; D85-F167 HydrophobicContact CB-CE2 4.47Å
86	S	93.8	Very high	92.8	Very high	65 Å²	65	57.9 Å²	57.9	46%	0.455	34%	0.338	S	S	.	.			trans	-115.4	19.9	-179.9	47.3	0	0	0	0	111.5	S84 G88	S84-S86 PolarHBondContact O-N 2.55Å; S86-G88 VanDerWaalsContact C-N 3.33Å
87	S	94.3	Very high	94.5	Very high	98 Å²	98	58.1 Å²	58.1	69%	0.685	34%	0.339	S	S	*	.	S	Bend	trans	-76.7	-18.4	-177.1	65.3	0	0	0	0	113.9	D85	D85-S87 VanDerWaalsContact OD1-CB 3.3Å; D85-S87 WeakPolarHBondContact OD1-CB 3.28Å; D85-S87 PolarHBondContact OD1-N 2.95Å; D85-S87 PolarHBondContact OD1-OG 3.3Å
88	G	94.5	Very high	95.5	Very high	12 Å²	12	55.9 Å²	55.9	12%	0.124	33%	0.331	C	S	.	.	S	Bend	trans	-105.2	-179.9	179.6	0	0	0	0	0	115.2	S86 W90 K91	S86-G88 VanDerWaalsContact C-N 3.33Å; G88-W90 VanDerWaalsContact N-CZ2 3.35Å; G88-W90 PolarHBondContact O-N 3.43Å; G88-K91 WeakPolarHBondContact O-CG 3.23Å; G88-K91 PolarHBondContact O-N 3.18Å
89	D	95.8	Very high	95.9	Very high	77 Å²	77	54.7 Å²	54.7	41%	0.412	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-75.2	-10	-176.1	-70.5	-22.7	0	0	0	113.7	K91 N92 W135	D89-K91 PolarHBondContact O-N 3.15Å; D89-N92 WeakPolarHBondContact O-CB 3.31Å; D89-N92 PolarHBondContact O-N 3.28Å; D89-N92 PolarHBondContact O-ND2 2.85Å; D89-W135 HydrophobicContact CB-CH2 3.67Å; D89-W135 HydrophobicContact CB-CZ2 3.93Å
90	W	97	Very high	96.1	Very high	2 Å²	2	57 Å²	57	1%	0.008	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-65.1	-3.7	171.4	58.7	78.1	0	0	0	113.7	D85 G88 N92 H133 W135 F167 Y169 Y174 V176	D85-W90 PolarHBondContact O-NE1 3.08Å; G88-W90 VanDerWaalsContact N-CZ2 3.35Å; G88-W90 PolarHBondContact O-N 3.43Å; W90-N92 VanDerWaalsContact C-N 3.25Å; W90-H133 HydrophobicContact CE3-CB 4.39Å; W90-H133 AromaticContact CH2-NE2 3.86Å; W90-H133 HydrophobicContact CZ3-CB 4.09Å; W90-H133 AromaticContact CZ3-CD2 3.48Å; W90-H133 VanDerWaalsContact CZ3-CD2 3.48Å; W90-H133 WeakPolarHBondContact CZ3-CD2 3.3Å; W90-H133 AromaticContact CZ3-CE1 3.89Å; W90-H133 AromaticContact CZ3-CG 3.55Å; W90-H133 AromaticContact CZ3-ND1 3.81Å; W90-H133 AromaticContact CZ3-NE2 3.72Å; W90-W135 HydrophobicContact CB-CB 4.38Å; W90-W135 HydrophobicContact CB-CD2 3.97Å; W90-W135 HydrophobicContact CB-CG 3.86Å; W90-F167 HydrophobicContact CD2-CZ 4.22Å; W90-F167 AromaticContact CE2-CE2 3.99Å; W90-F167 AromaticContact CE2-CZ 3.68Å; W90-F167 HydrophobicContact CH2-CZ 4.01Å; W90-F167 HydrophobicContact CZ2-CE2 4.27Å; W90-F167 AromaticContact CZ2-CZ 3.58Å; W90-F167 HydrophobicContact CZ2-CZ 3.58Å; W90-F167 HydrophobicContact CZ3-CZ 4.5Å; W90-F167 AromaticContact NE1-CE2 3.87Å; W90-Y169 AromaticContact CD1-CD1 3.91Å; W90-Y169 AromaticContact CD1-CD2 3.98Å; W90-Y169 AromaticContact CD1-CG 3.7Å; W90-Y169 WeakPolarHBondContact O-CD1 2.99Å; W90-Y174 HydrophobicContact CB-CD2 4.16Å; W90-Y174 VanDerWaalsContact O-CD2 3.24Å; W90-Y174 WeakPolarHBondContact O-CD2 3.41Å; W90-Y174 WeakPolarHBondContact O-CE2 3.26Å; W90-V176 HydrophobicContact CB-CG2 3.86Å; W90-V176 HydrophobicContact CD2-CG1 4.09Å; W90-V176 HydrophobicContact CD2-CG2 4Å; W90-V176 HydrophobicContact CE3-CG1 3.72Å; W90-V176 HydrophobicContact CE3-CG2 4.42Å; W90-V176 HydrophobicContact CG-CG2 3.72Å; W90-V176 HydrophobicContact CZ3-CG1 4.07Å
91	K	96.9	Very high	96.2	Very high	103 Å²	103	56.9 Å²	56.9	45%	0.448	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-75.8	-13	168.5	75	-172.1	177.5	-172	0	113.5	G88 D89 Y169	G88-K91 WeakPolarHBondContact O-CG 3.23Å; G88-K91 PolarHBondContact O-N 3.18Å; D89-K91 PolarHBondContact O-N 3.15Å; K91-Y169 HydrophobicContact CB-CE1 4.43Å
92	N	97.4	Very high	96.4	Very high	79 Å²	79	55.2 Å²	55.2	42%	0.422	31%	0.312	S	S	.	.	S	Bend	trans	-82.3	138.3	176.3	-58.2	-42.9	0	0	0	108.8	D89 W90 R94 Y174	D89-N92 WeakPolarHBondContact O-CB 3.31Å; D89-N92 PolarHBondContact O-N 3.28Å; D89-N92 PolarHBondContact O-ND2 2.85Å; W90-N92 VanDerWaalsContact C-N 3.25Å; N92-R94 VanDerWaalsContact C-N 3.29Å; N92-R94 PolarHBondContact O-N 3.16Å; N92-Y174 WeakPolarHBondContact O-CE2 3.35Å; N92-Y174 PolarHBondContact O-OH 3.32Å
93	F	97.4	Very high	96.6	Very high	33 Å²	33	52.7 Å²	52.7	15%	0.145	29%	0.288	C	S	.	.	S	Bend	trans	-62.2	-34.2	177.7	174	-118.9	0	0	0	113.8	E172 Y174 W415 S472 P474 I477	F93-E172 VanDerWaalsContact CA-OE2 3.29Å; F93-E172 WeakPolarHBondContact CA-OE2 3.2Å; F93-E172 WeakPolarHBondContact CB-OE2 2.98Å; F93-E172 WeakPolarHBondContact CD2-OE2 3.5Å; F93-Y174 PolarHBondContact O-OH 3.48Å; F93-W415 AromaticContact CE1-CH2 3.75Å; F93-W415 HydrophobicContact CE1-CH2 3.75Å; F93-W415 AromaticContact CE1-CZ2 3.7Å; F93-W415 HydrophobicContact CE1-CZ2 3.7Å; F93-W415 HydrophobicContact CZ-CH2 4.14Å; F93-W415 HydrophobicContact CZ-CZ2 4.39Å; F93-S472 VanDerWaalsContact CD1-O 3.24Å; F93-S472 WeakPolarHBondContact CD1-O 3.33Å; F93-S472 VanDerWaalsContact CE1-C 3.41Å; F93-S472 WeakPolarHBondContact CE1-O 3.33Å; F93-S472 WeakPolarHBondContact CG-O 3.16Å; F93-P474 HydrophobicContact CE2-CG 4.27Å; F93-I477 HydrophobicContact CE1-CD1 4.21Å; F93-I477 HydrophobicContact CZ-CD1 3.73Å
94	R	98.2	Very high	96.8	Very high	83 Å²	83	50.9 Å²	50.9	31%	0.313	28%	0.276	S	S	.	.	S	Bend	trans	-89.3	136.8	178.7	-64.1	-65.7	-62.2	-97.5	5.1	111	N92 E242 W415	N92-R94 VanDerWaalsContact C-N 3.29Å; N92-R94 PolarHBondContact O-N 3.16Å; R94-E242 WeakPolarHBondContact CA-OE1 3.39Å; R94-E242 IonicContact CZ-OE2 2.79Å; R94-E242 VanDerWaalsContact NE-CD 3.32Å; R94-E242 IonicContact NE-OE1 2.71Å; R94-E242 PolarHBondContact NE-OE1 3.05Å; R94-E242 IonicContact NE-OE2 3.29Å; R94-E242 PolarHBondContact NE-OE2 2.99Å; R94-E242 IonicContact NH2-OE2 3.47Å; R94-E242 PolarHBondContact NH2-OE2 3.5Å; R94-W415 VanDerWaalsContact CZ-CD2 3.43Å
95	L	98.5	Very high	97.1	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.026	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-60	150.9	170.7	-72.9	170.2	0	0	0	111	Y174 F240 E242 K245	L95-Y174 HydrophobicContact CD2-CD1 4.39Å; L95-Y174 HydrophobicContact CD2-CE1 3.55Å; L95-Y174 HydrophobicContact CG-CE1 4.21Å; L95-F240 HydrophobicContact CD1-CB 3.9Å; L95-F240 HydrophobicContact CD1-CD1 3.96Å; L95-F240 HydrophobicContact CD1-CG 4.44Å; L95-F240 HydrophobicContact CD2-CD1 4.23Å; L95-E242 WeakPolarHBondContact CB-OE1 3.39Å; L95-E242 HydrophobicContact CD1-CG 4Å; L95-E242 HydrophobicContact CG-CG 4.47Å; L95-E242 PolarHBondContact N-OE1 2.94Å; L95-K245 HydrophobicContact CD1-CG 4.4Å
96	P	97.7	Very high	97.3	Very high	15 Å²	15	46.9 Å²	46.9	10%	0.097	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-69.5	140.3	179.9	28.1	-33.8	0	0	0	111.7	Y98 V99 W135 K245	P96-Y98 HydrophobicContact CB-CD1 3.72Å; P96-Y98 HydrophobicContact CB-CE1 3.35Å; P96-Y98 HydrophobicContact CB-CE2 4.23Å; P96-Y98 HydrophobicContact CB-CG 4.31Å; P96-Y98 HydrophobicContact CG-CE1 4.38Å; P96-Y98 PolarHBondContact O-N 3.44Å; P96-V99 HydrophobicContact CB-CG2 4.49Å; P96-V99 HydrophobicContact CG-CB 4.07Å; P96-V99 HydrophobicContact CG-CG2 3.79Å; P96-V99 PolarHBondContact O-N 3.29Å; P96-W135 HydrophobicContact CB-CH2 4.15Å; P96-W135 HydrophobicContact CB-CZ2 4Å; P96-W135 VanDerWaalsContact CD-CZ2 3.41Å; P96-W135 HydrophobicContact CG-CH2 3.74Å; P96-W135 HydrophobicContact CG-CZ2 3.48Å; P96-W135 VanDerWaalsContact CG-CZ2 3.48Å; P96-W135 HydrophobicContact CG-CZ3 4.4Å; P96-K245 PolarHBondContact O-NZ 3.23Å
97	D	96.8	Very high	97.6	Very high	133 Å²	133	45.4 Å²	45.4	71%	0.711	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-25.7	176	-71.2	-25.9	0	0	0	113.4	V99	D97-V99 VanDerWaalsContact C-N 3.26Å; D97-V99 PolarHBondContact O-N 2.99Å
98	Y	97.4	Very high	97.8	Very high	36 Å²	36	40.8 Å²	40.8	14%	0.141	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-1.3	-176.2	63.9	-97	0	0	0	114.2	P96 V127 S128 K129 T131 W135	P96-Y98 HydrophobicContact CB-CD1 3.72Å; P96-Y98 HydrophobicContact CB-CE1 3.35Å; P96-Y98 HydrophobicContact CB-CE2 4.23Å; P96-Y98 HydrophobicContact CB-CG 4.31Å; P96-Y98 HydrophobicContact CG-CE1 4.38Å; P96-Y98 PolarHBondContact O-N 3.44Å; Y98-V127 CarbonylContact O-C 3.58Å; Y98-V127 VanDerWaalsContact O-CA 3.31Å; Y98-V127 WeakPolarHBondContact O-CA 2.99Å; Y98-S128 VanDerWaalsContact CA-OG 3.23Å; Y98-S128 WeakPolarHBondContact CA-OG 3.26Å; Y98-S128 VanDerWaalsContact CB-OG 3.28Å; Y98-S128 WeakPolarHBondContact CB-OG 3.27Å; Y98-S128 PolarHBondContact O-N 3.45Å; Y98-K129 HydrophobicContact CD1-CB 4.48Å; Y98-K129 HydrophobicContact CD1-CD 4.22Å; Y98-K129 HydrophobicContact CD2-CB 4.04Å; Y98-K129 HydrophobicContact CE1-CD 4.48Å; Y98-K129 HydrophobicContact CG-CB 3.85Å; Y98-K129 HydrophobicContact CG-CD 4.39Å; Y98-T131 HydrophobicContact CE2-CG2 4.19Å; Y98-W135 VanDerWaalsContact OH-CH2 3.28Å; Y98-W135 WeakPolarHBondContact OH-CH2 3.46Å
99	V	98.2	Very high	98	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.012	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	119.9	173.2	-173.2	0	0	0	0	107.9	P96 D97 V125 L134 F240 K245	P96-V99 HydrophobicContact CB-CG2 4.49Å; P96-V99 HydrophobicContact CG-CB 4.07Å; P96-V99 HydrophobicContact CG-CG2 3.79Å; P96-V99 PolarHBondContact O-N 3.29Å; D97-V99 VanDerWaalsContact C-N 3.26Å; D97-V99 PolarHBondContact O-N 2.99Å; V99-V125 HydrophobicContact CG1-CG1 3.35Å; V99-L134 HydrophobicContact CG1-CD2 4.13Å; V99-L134 HydrophobicContact CG2-CD2 4.29Å; V99-F240 HydrophobicContact CB-CE1 4.4Å; V99-F240 HydrophobicContact CG1-CE1 3.6Å; V99-F240 HydrophobicContact CG1-CZ 3.66Å; V99-K245 PolarHBondContact O-NZ 3.12Å
100	K	97.9	Very high	98.1	Very high	108 Å²	108	40 Å²	40	47%	0.47	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	119.1	-174.7	-172.9	-178.2	177.9	-173	0	111.1	I102 V125 E126	K100-I102 HydrophobicContact CD-CD1 4.19Å; K100-I102 HydrophobicContact CG-CD1 4.21Å; K100-V125 WeakPolarHBondContact O-CA 3.47Å; K100-E126 PolarHBondContact N-O 3.37Å; K100-E126 PolarHBondContact O-N 2.91Å
101	P	98.4	Very high	98	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	145.1	170.8	32.9	-36.9	0	0	0	110.7	Y104 I123 H124 F240 K245 A247	P101-Y104 HydrophobicContact CB-CE2 3.77Å; P101-Y104 HydrophobicContact CG-CE2 4.36Å; P101-I123 HydrophobicContact CB-CG2 4.24Å; P101-H124 CarbonylContact C-O 3.48Å; P101-H124 WeakPolarHBondContact CA-O 3.39Å; P101-F240 HydrophobicContact CB-CD2 3.78Å; P101-F240 HydrophobicContact CB-CE2 4.31Å; P101-F240 HydrophobicContact CB-CG 4.43Å; P101-F240 HydrophobicContact CG-CB 3.97Å; P101-F240 HydrophobicContact CG-CD2 3.96Å; P101-F240 HydrophobicContact CG-CG 4.11Å; P101-K245 HydrophobicContact CG-CB 3.97Å; P101-A247 HydrophobicContact CB-CB 4.12Å; P101-A247 HydrophobicContact CG-CB 4.33Å
102	I	98.1	Very high	97.9	Very high	53 Å²	53	38 Å²	38	27%	0.272	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	-39.2	-179.9	-51.7	-62.1	0	0	0	110.7	K100 H124 E126 T248	K100-I102 HydrophobicContact CD-CD1 4.19Å; K100-I102 HydrophobicContact CG-CD1 4.21Å; I102-H124 PolarHBondContact N-O 3.16Å; I102-E126 HydrophobicContact CD1-CB 4.29Å; I102-E126 HydrophobicContact CD1-CG 3.94Å; I102-E126 HydrophobicContact CG1-CB 4.29Å; I102-E126 HydrophobicContact CG1-CG 3.75Å; I102-T248 PolarHBondContact O-N 3.01Å; I102-T248 PolarHBondContact O-OG1 2.79Å
103	H	98.8	Very high	97.7	Very high	18 Å²	18	39.6 Å²	39.6	8%	0.083	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	147.5	-179.7	-167.1	52	0	0	0	112	D105 H124 T248 T250	H103-D105 IonicContact CD2-OD1 3.83Å; H103-D105 IonicContact CD2-OD2 2.75Å; H103-D105 PolarHBondContact CD2-OD2 3.39Å; H103-D105 VanDerWaalsContact CD2-OD2 3.31Å; H103-D105 IonicContact NE2-OD1 3.31Å; H103-D105 PolarHBondContact NE2-OD1 3.31Å; H103-D105 IonicContact NE2-OD2 2.72Å; H103-H124 HydrophobicContact CB-CB 3.94Å; H103-H124 PolarHBondContact O-N 3.19Å; H103-T248 CarbonylContact C-O 3.52Å; H103-T248 VanDerWaalsContact CA-O 3.27Å; H103-T248 WeakPolarHBondContact CA-O 3.28Å; H103-T248 PolarHBondContact ND1-O 3.49Å; H103-T248 PolarHBondContact ND1-OG1 3.47Å; H103-T250 PolarHBondContact CE1-OG1 3.07Å; H103-T250 PolarHBondContact NE2-OG1 2.88Å; H103-T250 VanDerWaalsContact NE2-OG1 3.09Å
104	Y	98.9	Very high	97.5	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	121.2	170.6	-69.4	-99.5	0	0	0	109.4	P101 V121 D122 I123 F237 C239 F240 A247 T248 Y249 T250	P101-Y104 HydrophobicContact CB-CE2 3.77Å; P101-Y104 HydrophobicContact CG-CE2 4.36Å; Y104-V121 HydrophobicContact CD1-CG2 3.79Å; Y104-D122 WeakPolarHBondContact CA-O 3.4Å; Y104-I123 HydrophobicContact CD1-CB 4.33Å; Y104-I123 HydrophobicContact CD1-CD1 4.19Å; Y104-I123 HydrophobicContact CD1-CG1 3.7Å; Y104-I123 HydrophobicContact CD1-CG2 3.97Å; Y104-I123 HydrophobicContact CE1-CB 4.29Å; Y104-I123 HydrophobicContact CE1-CD1 3.71Å; Y104-I123 HydrophobicContact CE1-CG1 3.7Å; Y104-I123 HydrophobicContact CE1-CG2 3.66Å; Y104-I123 HydrophobicContact CE2-CG2 4.4Å; Y104-I123 HydrophobicContact CG-CG2 4.46Å; Y104-F237 HydrophobicContact CD1-CE2 4.41Å; Y104-F237 HydrophobicContact CE1-CE2 4.45Å; Y104-C239 HydrophobicContact CE1-CB 4Å; Y104-F240 WeakPolarHBondContact OH-CD2 3.49Å; Y104-F240 PolarHBondContact OH-N 3.05Å; Y104-F240 VanDerWaalsContact OH-N 3.07Å; Y104-A247 HydrophobicContact CD2-CB 3.58Å; Y104-A247 HydrophobicContact CE2-CB 3.45Å; Y104-A247 VanDerWaalsContact CE2-CB 3.45Å; Y104-T248 PolarHBondContact N-O 3.26Å; Y104-Y249 VanDerWaalsContact CB-CD1 3.49Å; Y104-Y249 HydrophobicContact CD1-CE1 4.19Å; Y104-Y249 AromaticContact CD2-CD1 3.92Å; Y104-Y249 HydrophobicContact CD2-CD1 3.92Å; Y104-Y249 AromaticContact CD2-CE1 3.34Å; Y104-Y249 HydrophobicContact CD2-CE1 3.34Å; Y104-Y249 HydrophobicContact CD2-CE2 4.34Å; Y104-Y249 AromaticContact CD2-CZ 3.59Å; Y104-Y249 AromaticContact CE2-CE1 3.9Å; Y104-Y249 HydrophobicContact CE2-CE1 3.9Å; Y104-Y249 AromaticContact CE2-CZ 3.84Å; Y104-Y249 AromaticContact CG-CD1 3.85Å; Y104-Y249 HydrophobicContact CG-CD1 3.85Å; Y104-Y249 AromaticContact CG-CE1 3.51Å; Y104-Y249 HydrophobicContact CG-CE1 3.51Å; Y104-Y249 CarbonylContact O-C 3.59Å; Y104-Y249 WeakPolarHBondContact O-CA 3.39Å; Y104-T250 PolarHBondContact O-N 3.46Å
105	D	98.9	Very high	97.4	Very high	60 Å²	60	40.4 Å²	40.4	32%	0.321	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	102.2	162.5	-70.7	-72.7	0	0	0	108.1	H103 V121 D122 H124 T250	H103-D105 IonicContact CD2-OD1 3.83Å; H103-D105 IonicContact CD2-OD2 2.75Å; H103-D105 PolarHBondContact CD2-OD2 3.39Å; H103-D105 VanDerWaalsContact CD2-OD2 3.31Å; H103-D105 IonicContact NE2-OD1 3.31Å; H103-D105 PolarHBondContact NE2-OD1 3.31Å; H103-D105 IonicContact NE2-OD2 2.72Å; D105-V121 WeakPolarHBondContact O-CA 3.35Å; D105-D122 HydrophobicContact CB-CB 4.23Å; D105-D122 PolarHBondContact N-O 3.13Å; D105-D122 PolarHBondContact O-N 3.09Å; D105-H124 IonicContact OD2-NE2 3.86Å; D105-T250 WeakPolarHBondContact OD1-CB 3.35Å
106	L	98.9	Very high	97.3	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	120.2	-172.9	179	62.4	0	0	0	110.7	L108 V121 F198 F237 T250 I251 S252 F296	L106-L108 HydrophobicContact CD1-CG 4.4Å; L106-L108 HydrophobicContact CD2-CD1 4.12Å; L106-L108 HydrophobicContact CG-CD1 4.17Å; L106-L108 HydrophobicContact CG-CG 4.32Å; L106-V121 HydrophobicContact CD1-CB 4.09Å; L106-V121 HydrophobicContact CD1-CG2 4.26Å; L106-F198 HydrophobicContact CD1-CE1 4.25Å; L106-F198 HydrophobicContact CD1-CZ 3.81Å; L106-F237 HydrophobicContact CD1-CB 3.93Å; L106-F237 HydrophobicContact CD1-CD1 4.43Å; L106-F237 HydrophobicContact CD1-CD2 4.18Å; L106-F237 HydrophobicContact CD1-CG 3.94Å; L106-F237 HydrophobicContact CD2-CD1 3.83Å; L106-F237 HydrophobicContact CD2-CD2 4.31Å; L106-F237 HydrophobicContact CD2-CE1 3.9Å; L106-F237 HydrophobicContact CD2-CE2 4.34Å; L106-F237 HydrophobicContact CD2-CG 4.07Å; L106-F237 HydrophobicContact CD2-CZ 4.16Å; L106-T250 PolarHBondContact N-O 2.95Å; L106-I251 HydrophobicContact CB-CG1 4.39Å; L106-I251 HydrophobicContact CD2-CG1 4.46Å; L106-I251 CarbonylContact O-C 3.46Å; L106-I251 WeakPolarHBondContact O-CA 3.23Å; L106-S252 PolarHBondContact O-N 3.06Å; L106-F296 HydrophobicContact CD2-CE1 4.01Å
107	H	98.9	Very high	97.3	Very high	35 Å²	35	41.2 Å²	41.2	16%	0.162	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	136.7	171.9	-174.3	55.8	0	0	0	111.6	G119 T120 S252 T254	H107-G119 CarbonylContact O-C 3.45Å; H107-G119 WeakPolarHBondContact O-CA 3.36Å; H107-T120 WeakPolarHBondContact CB-OG1 3.43Å; H107-T120 PolarHBondContact N-O 3.04Å; H107-T120 PolarHBondContact O-N 3.29Å; H107-S252 WeakPolarHBondContact CA-O 3.19Å; H107-S252 PolarHBondContact ND1-O 2.9Å; H107-S252 PolarHBondContact ND1-OG 2.99Å; H107-T254 PolarHBondContact CE1-OG1 3.27Å; H107-T254 PolarHBondContact NE2-OG1 2.6Å
108	L	98.7	Very high	97.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	140.6	179.8	-66	150.5	0	0	0	110.9	L106 Y117 F198 S252 I253 T254 F296	L106-L108 HydrophobicContact CD1-CG 4.4Å; L106-L108 HydrophobicContact CD2-CD1 4.12Å; L106-L108 HydrophobicContact CG-CD1 4.17Å; L106-L108 HydrophobicContact CG-CG 4.32Å; L108-Y117 HydrophobicContact CD2-CD2 3.99Å; L108-Y117 HydrophobicContact CD2-CE2 4.13Å; L108-F198 HydrophobicContact CD2-CE2 3.98Å; L108-F198 HydrophobicContact CD2-CZ 4.09Å; L108-S252 PolarHBondContact N-O 3.43Å; L108-I253 CarbonylContact O-C 3.56Å; L108-I253 WeakPolarHBondContact O-CA 3.21Å; L108-T254 PolarHBondContact O-N 3.02Å; L108-F296 HydrophobicContact CD1-CD1 3.91Å; L108-F296 HydrophobicContact CD1-CD2 3.71Å; L108-F296 HydrophobicContact CD1-CE1 3.57Å; L108-F296 HydrophobicContact CD1-CE2 3.32Å; L108-F296 HydrophobicContact CD1-CG 3.98Å; L108-F296 HydrophobicContact CD1-CZ 3.25Å; L108-F296 HydrophobicContact CD2-CE2 4.42Å; L108-F296 HydrophobicContact CD2-CZ 4.32Å; L108-F296 HydrophobicContact CG-CE2 4.45Å; L108-F296 HydrophobicContact CG-CZ 4.4Å
109	E	98.3	Very high	97.5	Very high	62 Å²	62	36.4 Å²	36.4	29%	0.29	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	86.1	174.5	-173.4	169.8	174.8	0	0	109.5	Y117 T118 T254 K278	E109-Y117 WeakPolarHBondContact O-CA 3.48Å; E109-T118 PolarHBondContact N-O 3.28Å; E109-T118 PolarHBondContact O-N 3.4Å; E109-T254 HydrophobicContact CG-CG2 3.93Å; E109-K278 IonicContact OE1-NZ 2.7Å; E109-K278 PolarHBondContact OE1-NZ 3.49Å
110	P	97.9	Very high	97.5	Very high	11 Å²	11	38.8 Å²	38.8	7%	0.071	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	135.8	174	26.7	-33.1	0	0	0	112	L112 L202 F209 I253 T254 V298	P110-L112 HydrophobicContact CB-CD2 4.38Å; P110-L202 HydrophobicContact CB-CD1 4.27Å; P110-F209 HydrophobicContact CB-CE1 3.84Å; P110-F209 HydrophobicContact CB-CZ 3.83Å; P110-F209 HydrophobicContact CG-CE1 4.28Å; P110-F209 HydrophobicContact CG-CZ 4.02Å; P110-I253 HydrophobicContact CG-CG2 4.37Å; P110-T254 WeakPolarHBondContact CD-O 3.47Å; P110-V298 HydrophobicContact CG-CG2 3.9Å
111	N	96.3	Very high	97.5	Very high	54 Å²	54	33.6 Å²	33.6	29%	0.289	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	98.4	166.6	-177.1	-22.4	0	0	0	108.8	V113 D114 D115 T116	N111-V113 PolarHBondContact O-N 3.47Å; N111-V113 WeakPolarHBondContact OD1-CB 3.38Å; N111-V113 PolarHBondContact OD1-N 3.29Å; N111-D114 PolarHBondContact ND2-OD2 3.35Å; N111-D114 PolarHBondContact OD1-N 2.71Å; N111-D115 WeakPolarHBondContact O-CA 3.41Å; N111-D115 PolarHBondContact O-N 3.04Å; N111-T116 PolarHBondContact N-O 2.89Å; N111-T116 PolarHBondContact O-N 3.21Å
112	L	95	Very high	97.6	Very high	10 Å²	10	36.4 Å²	36.4	5%	0.052	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-8.6	-179.4	-58	-177.2	0	0	0	113.2	P110 L202 K222 A224 Y259 V298	P110-L112 HydrophobicContact CB-CD2 4.38Å; L112-L202 HydrophobicContact CD2-CD1 3.8Å; L112-K222 HydrophobicContact CB-CD 4.26Å; L112-K222 WeakPolarHBondContact O-CD 3.32Å; L112-K222 WeakPolarHBondContact O-CE 3.27Å; L112-K222 PolarHBondContact O-NZ 2.79Å; L112-A224 HydrophobicContact CD2-CB 3.62Å; L112-Y259 HydrophobicContact CD1-CD1 4.07Å; L112-Y259 HydrophobicContact CD1-CE1 3.56Å; L112-Y259 HydrophobicContact CD1-CE2 4.06Å; L112-V298 HydrophobicContact CD1-CG1 4.22Å
113	V	92.4	Very high	97.6	Very high	111 Å²	111	33.9 Å²	33.9	67%	0.673	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-49.9	173.6	178.4	0	0	0	0	109.6	N111 D115	N111-V113 PolarHBondContact O-N 3.47Å; N111-V113 WeakPolarHBondContact OD1-CB 3.38Å; N111-V113 PolarHBondContact OD1-N 3.29Å; V113-D115 VanDerWaalsContact C-N 3.33Å
114	D	93.8	Very high	97.6	Very high	105 Å²	105	34.5 Å²	34.5	56%	0.561	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-0.5	-176	-60.3	-35.7	0	0	0	113.4	N111 T116	N111-D114 PolarHBondContact ND2-OD2 3.35Å; N111-D114 PolarHBondContact OD1-N 2.71Å; D114-T116 PolarHBondContact O-N 2.79Å
115	D	94.9	Very high	97.6	Very high	28 Å²	28	34.5 Å²	34.5	15%	0.15	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	38.9	-179.9	-59.6	-33.2	0	0	0	113.3	N111 V113 L202 T203 R211 K222	N111-D115 WeakPolarHBondContact O-CA 3.41Å; N111-D115 PolarHBondContact O-N 3.04Å; V113-D115 VanDerWaalsContact C-N 3.33Å; D115-L202 PolarHBondContact O-N 3.33Å; D115-T203 HydrophobicContact CB-CG2 3.63Å; D115-R211 VanDerWaalsContact CG-CZ 3.41Å; D115-R211 VanDerWaalsContact CG-NE 3.34Å; D115-R211 WeakPolarHBondContact OD1-CD 3.3Å; D115-R211 IonicContact OD1-CZ 3.44Å; D115-R211 IonicContact OD1-NE 3.43Å; D115-R211 PolarHBondContact OD1-NE 2.04Å; D115-R211 IonicContact OD1-NH1 3.73Å; D115-R211 IonicContact OD1-NH2 2.6Å; D115-R211 IonicContact OD2-CZ 3.39Å; D115-R211 IonicContact OD2-NE 3.89Å; D115-R211 PolarHBondContact OD2-NE 3.33Å; D115-R211 IonicContact OD2-NH1 3.86Å; D115-R211 IonicContact OD2-NH2 2.87Å; D115-R211 PolarHBondContact OD2-NH2 2.74Å; D115-K222 IonicContact OD1-NZ 3.51Å; D115-K222 PolarHBondContact OD1-NZ 2.9Å; D115-K222 IonicContact OD2-NZ 3.48Å
116	T	97	Very high	97.5	Very high	34 Å²	34	35.1 Å²	35.1	21%	0.209	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	165.7	179.4	54.7	0	0	0	0	110	N111 D114 G200 L201	N111-T116 PolarHBondContact N-O 2.89Å; N111-T116 PolarHBondContact O-N 3.21Å; D114-T116 PolarHBondContact O-N 2.79Å; T116-G200 WeakPolarHBondContact CA-O 3.17Å; T116-L201 HydrophobicContact CG2-CD2 3.75Å
117	Y	98.3	Very high	97.5	Very high	3 Å²	3	35 Å²	35	1%	0.012	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	151	166.7	69.5	-81.4	0	0	0	110.7	L108 E109 T141 F198 Q199 G200 L202 F209 K235 S236	L108-Y117 HydrophobicContact CD2-CD2 3.99Å; L108-Y117 HydrophobicContact CD2-CE2 4.13Å; E109-Y117 WeakPolarHBondContact O-CA 3.48Å; Y117-T141 PolarHBondContact OH-OG1 2.9Å; Y117-F198 HydrophobicContact CD2-CE2 4.43Å; Y117-F198 HydrophobicContact CE2-CD2 4.14Å; Y117-F198 AromaticContact CE2-CE2 3.86Å; Y117-F198 HydrophobicContact CE2-CE2 3.86Å; Y117-Q199 WeakPolarHBondContact O-CA 3.35Å; Y117-Q199 WeakPolarHBondContact O-CG 3.21Å; Y117-G200 VanDerWaalsContact CE1-C 3.45Å; Y117-G200 VanDerWaalsContact CE1-CA 3.44Å; Y117-G200 PolarHBondContact N-O 3.39Å; Y117-G200 PolarHBondContact O-N 2.72Å; Y117-L202 HydrophobicContact CD1-CD2 3.65Å; Y117-L202 HydrophobicContact CD1-CG 4.04Å; Y117-L202 HydrophobicContact CE1-CD2 4.25Å; Y117-L202 HydrophobicContact CG-CD2 4.39Å; Y117-F209 AromaticContact CD1-CD1 3.73Å; Y117-F209 HydrophobicContact CD1-CD1 3.73Å; Y117-F209 HydrophobicContact CD1-CE1 4.35Å; Y117-F209 AromaticContact CD2-CD1 3.79Å; Y117-F209 HydrophobicContact CD2-CD1 3.79Å; Y117-F209 HydrophobicContact CD2-CE1 4.23Å; Y117-F209 HydrophobicContact CE1-CB 4.22Å; Y117-F209 AromaticContact CE1-CD1 3.96Å; Y117-F209 HydrophobicContact CE1-CD1 3.96Å; Y117-F209 AromaticContact CE2-CD1 4Å; Y117-F209 HydrophobicContact CE2-CD1 4Å; Y117-F209 AromaticContact CG-CD1 3.64Å; Y117-F209 HydrophobicContact CG-CD1 3.64Å; Y117-F209 AromaticContact CG-CE1 3.96Å; Y117-F209 HydrophobicContact CG-CE1 3.96Å; Y117-K235 PolarHBondContact OH-O 3.29Å; Y117-S236 WeakPolarHBondContact CE2-O 3.47Å; Y117-S236 WeakPolarHBondContact OH-CA 3.17Å; Y117-S236 PolarHBondContact OH-O 3.07Å
118	T	98.6	Very high	97.4	Very high	64 Å²	64	37.7 Å²	37.7	39%	0.393	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	155.7	168.4	50	0	0	0	0	109.5	E109 F198 Q199	E109-T118 PolarHBondContact N-O 3.28Å; E109-T118 PolarHBondContact O-N 3.4Å; T118-F198 WeakPolarHBondContact CA-O 3.38Å; T118-Q199 HydrophobicContact CG2-CB 4.32Å; T118-Q199 HydrophobicContact CG2-CG 4.09Å
119	G	98.6	Very high	97.3	Very high	5 Å²	5	43 Å²	43	5%	0.052	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	166.4	174.6	0	0	0	0	0	112.7	H107 D197 F198	H107-G119 CarbonylContact O-C 3.45Å; H107-G119 WeakPolarHBondContact O-CA 3.36Å; G119-D197 WeakPolarHBondContact O-CA 3.26Å; G119-F198 VanDerWaalsContact C-CE1 3.44Å; G119-F198 PolarHBondContact N-O 3.44Å; G119-F198 WeakPolarHBondContact O-CD1 3.12Å; G119-F198 PolarHBondContact O-N 2.91Å
120	T	98.9	Very high	97.3	Very high	51 Å²	51	43.2 Å²	43.2	31%	0.313	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	139.1	172.3	62.5	0	0	0	0	108.6	H107 L196 D197	H107-T120 WeakPolarHBondContact CB-OG1 3.43Å; H107-T120 PolarHBondContact N-O 3.04Å; H107-T120 PolarHBondContact O-N 3.29Å; T120-L196 CarbonylContact C-O 3.49Å; T120-L196 WeakPolarHBondContact CA-O 3.31Å; T120-D197 HydrophobicContact CG2-CB 4.44Å; T120-D197 WeakPolarHBondContact CG2-OD1 3.2Å
121	V	98.9	Very high	97.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	126.6	174.3	64.7	0	0	0	0	110.1	Y104 D105 L106 I123 S195 L196 F198	Y104-V121 HydrophobicContact CD1-CG2 3.79Å; D105-V121 WeakPolarHBondContact O-CA 3.35Å; L106-V121 HydrophobicContact CD1-CB 4.09Å; L106-V121 HydrophobicContact CD1-CG2 4.26Å; V121-I123 HydrophobicContact CG1-CD1 4.33Å; V121-I123 HydrophobicContact CG1-CG1 4.3Å; V121-I123 HydrophobicContact CG2-CD1 4.38Å; V121-I123 HydrophobicContact CG2-CG1 3.74Å; V121-S195 CarbonylContact O-C 3.6Å; V121-S195 VanDerWaalsContact O-CA 3.31Å; V121-S195 WeakPolarHBondContact O-CA 3.24Å; V121-L196 HydrophobicContact CG1-CB 3.94Å; V121-L196 PolarHBondContact N-O 3.09Å; V121-L196 PolarHBondContact O-N 3.04Å; V121-F198 HydrophobicContact CB-CE1 4Å; V121-F198 HydrophobicContact CG1-CD1 4.26Å; V121-F198 HydrophobicContact CG1-CE1 3.92Å
122	D	98.8	Very high	97.3	Very high	58 Å²	58	45.2 Å²	45.2	31%	0.31	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	116.3	167.2	-69.9	-20.3	0	0	0	108.3	Y104 D105 V193 S195	Y104-D122 WeakPolarHBondContact CA-O 3.4Å; D105-D122 HydrophobicContact CB-CB 4.23Å; D105-D122 PolarHBondContact N-O 3.13Å; D105-D122 PolarHBondContact O-N 3.09Å; D122-V193 HydrophobicContact CB-CG1 4Å; D122-S195 WeakPolarHBondContact OD1-CA 3.38Å; D122-S195 WeakPolarHBondContact OD1-CB 3.36Å; D122-S195 PolarHBondContact OD1-OG 2.75Å
123	I	98.8	Very high	97.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	117.1	-176.1	-45.2	173.4	0	0	0	109	P101 Y104 V121 V125 L136 V193 L194 F240	P101-I123 HydrophobicContact CB-CG2 4.24Å; Y104-I123 HydrophobicContact CD1-CB 4.33Å; Y104-I123 HydrophobicContact CD1-CD1 4.19Å; Y104-I123 HydrophobicContact CD1-CG1 3.7Å; Y104-I123 HydrophobicContact CD1-CG2 3.97Å; Y104-I123 HydrophobicContact CE1-CB 4.29Å; Y104-I123 HydrophobicContact CE1-CD1 3.71Å; Y104-I123 HydrophobicContact CE1-CG1 3.7Å; Y104-I123 HydrophobicContact CE1-CG2 3.66Å; Y104-I123 HydrophobicContact CE2-CG2 4.4Å; Y104-I123 HydrophobicContact CG-CG2 4.46Å; V121-I123 HydrophobicContact CG1-CD1 4.33Å; V121-I123 HydrophobicContact CG1-CG1 4.3Å; V121-I123 HydrophobicContact CG2-CD1 4.38Å; V121-I123 HydrophobicContact CG2-CG1 3.74Å; I123-V125 HydrophobicContact CB-CG2 4.33Å; I123-V125 HydrophobicContact CG2-CG2 3.79Å; I123-L136 HydrophobicContact CD1-CD1 3.41Å; I123-L136 VanDerWaalsContact CD1-CD1 3.41Å; I123-V193 WeakPolarHBondContact O-CA 3.39Å; I123-L194 PolarHBondContact N-O 2.97Å; I123-L194 PolarHBondContact O-N 3.05Å; I123-F240 HydrophobicContact CG2-CD2 4.29Å; I123-F240 HydrophobicContact CG2-CE2 4.01Å
124	H	98.6	Very high	97.7	Very high	32 Å²	32	41.5 Å²	41.5	15%	0.148	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	121.7	173.5	-67.7	-121.3	0	0	0	109.3	P101 I102 H103 D105 V191 Y192	P101-H124 CarbonylContact C-O 3.48Å; P101-H124 WeakPolarHBondContact CA-O 3.39Å; I102-H124 PolarHBondContact N-O 3.16Å; H103-H124 HydrophobicContact CB-CB 3.94Å; H103-H124 PolarHBondContact O-N 3.19Å; D105-H124 IonicContact OD2-NE2 3.86Å; H124-V191 HydrophobicContact CB-CG2 4.36Å; H124-Y192 CarbonylContact C-O 3.55Å; H124-Y192 WeakPolarHBondContact CA-O 3.33Å
125	V	98.3	Very high	98	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	129.8	-170.1	-177.2	0	0	0	0	110.6	V99 K100 I123 V127 Y192 F240	V99-V125 HydrophobicContact CG1-CG1 3.35Å; K100-V125 WeakPolarHBondContact O-CA 3.47Å; I123-V125 HydrophobicContact CB-CG2 4.33Å; I123-V125 HydrophobicContact CG2-CG2 3.79Å; V125-V127 HydrophobicContact CG1-CG2 4.26Å; V125-Y192 PolarHBondContact N-O 3.05Å; V125-Y192 PolarHBondContact O-N 2.83Å; V125-F240 HydrophobicContact CG1-CZ 4.48Å; V125-F240 HydrophobicContact CG2-CE2 3.83Å; V125-F240 HydrophobicContact CG2-CZ 4.15Å
126	E	98.1	Very high	98.2	Very high	72 Å²	72	35.5 Å²	35.5	34%	0.336	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	140.3	165.4	-76.9	175.1	-176.5	0	0	110	K100 I102 V191	K100-E126 PolarHBondContact N-O 3.37Å; K100-E126 PolarHBondContact O-N 2.91Å; I102-E126 HydrophobicContact CD1-CB 4.29Å; I102-E126 HydrophobicContact CD1-CG 3.94Å; I102-E126 HydrophobicContact CG1-CB 4.29Å; I102-E126 HydrophobicContact CG1-CG 3.75Å; E126-V191 HydrophobicContact CG-CG1 4.19Å
127	V	97.9	Very high	98.2	Very high	1 Å²	1	34 Å²	34	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	120.1	-179.8	174.6	0	0	0	0	108.3	Y98 V125 K129 T131 L134 A185 T186 Y192	Y98-V127 CarbonylContact O-C 3.58Å; Y98-V127 VanDerWaalsContact O-CA 3.31Å; Y98-V127 WeakPolarHBondContact O-CA 2.99Å; V125-V127 HydrophobicContact CG1-CG2 4.26Å; V127-K129 WeakPolarHBondContact CG1-O 3.37Å; V127-T131 HydrophobicContact CG1-CG2 4.01Å; V127-L134 HydrophobicContact CG2-CD2 4.32Å; V127-A185 CarbonylContact O-C 3.49Å; V127-A185 WeakPolarHBondContact O-CA 3.19Å; V127-A185 WeakPolarHBondContact O-CB 3.39Å; V127-T186 HydrophobicContact CB-CG2 4.33Å; V127-T186 PolarHBondContact N-OG1 3.11Å; V127-T186 VanDerWaalsContact N-OG1 3.13Å; V127-T186 PolarHBondContact O-N 3.46Å; V127-T186 PolarHBondContact O-OG1 3.22Å; V127-Y192 HydrophobicContact CB-CD2 4.32Å; V127-Y192 HydrophobicContact CB-CE2 4.27Å; V127-Y192 HydrophobicContact CG2-CD2 3.78Å; V127-Y192 HydrophobicContact CG2-CE2 4.13Å
128	S	97.6	Very high	98.2	Very high	90 Å²	90	34.2 Å²	34.2	63%	0.629	18%	0.181	S	C	*	.	S	Bend	trans	-99.2	-6.2	-177.3	65.8	0	0	0	0	114.3	Y98	Y98-S128 VanDerWaalsContact CA-OG 3.23Å; Y98-S128 WeakPolarHBondContact CA-OG 3.26Å; Y98-S128 VanDerWaalsContact CB-OG 3.28Å; Y98-S128 WeakPolarHBondContact CB-OG 3.27Å; Y98-S128 PolarHBondContact O-N 3.45Å
129	K	96.8	Very high	98.1	Very high	113 Å²	113	32.8 Å²	32.8	49%	0.491	17%	0.169	S	C	.	.	S	Bend	trans	-139.6	138.6	177.1	179.2	-171.7	170.2	-167.6	0	109.4	Y98 V127 T131	Y98-K129 HydrophobicContact CD1-CB 4.48Å; Y98-K129 HydrophobicContact CD1-CD 4.22Å; Y98-K129 HydrophobicContact CD2-CB 4.04Å; Y98-K129 HydrophobicContact CE1-CD 4.48Å; Y98-K129 HydrophobicContact CG-CB 3.85Å; Y98-K129 HydrophobicContact CG-CD 4.39Å; V127-K129 WeakPolarHBondContact CG1-O 3.37Å; K129-T131 PolarHBondContact O-N 3.4Å
130	P	97.6	Very high	97.9	Very high	66 Å²	66	37.9 Å²	37.9	43%	0.429	19%	0.191	S	C	.	.			trans	-52.5	134.8	176.1	-27	34.7	0	0	0	113	E182 L183	P130-E182 HydrophobicContact CB-CG 4.12Å; P130-L183 CarbonylContact C-O 3.56Å; P130-L183 WeakPolarHBondContact CA-O 3.48Å
131	T	97.4	Very high	97.7	Very high	11 Å²	11	35.7 Å²	35.7	7%	0.067	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	148.6	179.5	-176.2	0	0	0	0	111	Y98 V127 K129 H133 L134 L183	Y98-T131 HydrophobicContact CE2-CG2 4.19Å; V127-T131 HydrophobicContact CG1-CG2 4.01Å; K129-T131 PolarHBondContact O-N 3.4Å; T131-H133 PolarHBondContact OG1-N 3.2Å; T131-H133 VanDerWaalsContact OG1-N 3.16Å; T131-H133 PolarHBondContact OG1-O 3.15Å; T131-L134 HydrophobicContact CG2-CD2 4.14Å; T131-L183 HydrophobicContact CG2-CB 4.4Å; T131-L183 HydrophobicContact CG2-CD1 4.39Å; T131-L183 PolarHBondContact N-O 3.13Å; T131-L183 WeakPolarHBondContact O-CA 3.36Å; T131-L183 WeakPolarHBondContact O-CB 3.44Å; T131-L183 VanDerWaalsContact O-CG 3.27Å; T131-L183 WeakPolarHBondContact O-CG 3.2Å; T131-L183 PolarHBondContact O-N 3.03Å
132	R	97.4	Very high	97.6	Very high	95 Å²	95	36.7 Å²	36.7	36%	0.358	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-10.8	171.3	-171.4	173.2	162.6	118.1	2.3	112.8	E178 A179 A180	R132-E178 HydrophobicContact CG-CG 4.19Å; R132-E178 IonicContact CZ-OE1 3.41Å; R132-E178 IonicContact NE-OE1 3.84Å; R132-E178 PolarHBondContact NE-OE1 2.96Å; R132-E178 VanDerWaalsContact NE-OE1 3.09Å; R132-E178 IonicContact NH2-OE1 2.84Å; R132-E178 PolarHBondContact NH2-OE1 3.23Å; R132-A179 WeakPolarHBondContact CG-O 3.43Å; R132-A179 PolarHBondContact NE-O 3.49Å; R132-A179 PolarHBondContact O-N 2.99Å; R132-A180 PolarHBondContact NH1-O 2.9Å; R132-A180 VanDerWaalsContact NH1-O 3.1Å
133	H	98	Very high	97.6	Very high	41 Å²	41	34 Å²	34	19%	0.19	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	138.1	-175.7	-53.4	91.2	0	0	0	110.4	W90 T131 W135 V176 V177 E178	W90-H133 HydrophobicContact CE3-CB 4.39Å; W90-H133 AromaticContact CH2-NE2 3.86Å; W90-H133 HydrophobicContact CZ3-CB 4.09Å; W90-H133 AromaticContact CZ3-CD2 3.48Å; W90-H133 VanDerWaalsContact CZ3-CD2 3.48Å; W90-H133 WeakPolarHBondContact CZ3-CD2 3.3Å; W90-H133 AromaticContact CZ3-CE1 3.89Å; W90-H133 AromaticContact CZ3-CG 3.55Å; W90-H133 AromaticContact CZ3-ND1 3.81Å; W90-H133 AromaticContact CZ3-NE2 3.72Å; T131-H133 PolarHBondContact OG1-N 3.2Å; T131-H133 VanDerWaalsContact OG1-N 3.16Å; T131-H133 PolarHBondContact OG1-O 3.15Å; H133-W135 HydrophobicContact CB-CE3 4.18Å; H133-W135 HydrophobicContact CB-CZ3 4.3Å; H133-V176 HydrophobicContact CB-CG1 4.31Å; H133-V177 WeakPolarHBondContact CA-O 3.47Å; H133-E178 IonicContact NE2-OE2 3.33Å
134	L	98.5	Very high	97.5	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.9	164.4	-61.5	178.1	0	0	0	107.1	V99 V127 T131 L149 V177 L183	V99-L134 HydrophobicContact CG1-CD2 4.13Å; V99-L134 HydrophobicContact CG2-CD2 4.29Å; V127-L134 HydrophobicContact CG2-CD2 4.32Å; T131-L134 HydrophobicContact CG2-CD2 4.14Å; L134-L149 HydrophobicContact CD1-CD1 3.9Å; L134-L149 HydrophobicContact CD1-CD2 4.41Å; L134-V177 PolarHBondContact N-O 2.87Å; L134-V177 PolarHBondContact O-N 2.91Å; L134-L183 HydrophobicContact CD1-CD1 3.94Å; L134-L183 HydrophobicContact CD2-CD1 4.15Å; L134-L183 HydrophobicContact CG-CD1 3.88Å
135	W	98.6	Very high	97.4	Very high	8 Å²	8	36.4 Å²	36.4	3%	0.03	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	150.1	174.9	67	97.2	0	0	0	110.6	D89 W90 P96 Y98 H133 Y174 V175 V176 F240	D89-W135 HydrophobicContact CB-CH2 3.67Å; D89-W135 HydrophobicContact CB-CZ2 3.93Å; W90-W135 HydrophobicContact CB-CB 4.38Å; W90-W135 HydrophobicContact CB-CD2 3.97Å; W90-W135 HydrophobicContact CB-CG 3.86Å; P96-W135 HydrophobicContact CB-CH2 4.15Å; P96-W135 HydrophobicContact CB-CZ2 4Å; P96-W135 VanDerWaalsContact CD-CZ2 3.41Å; P96-W135 HydrophobicContact CG-CH2 3.74Å; P96-W135 HydrophobicContact CG-CZ2 3.48Å; P96-W135 VanDerWaalsContact CG-CZ2 3.48Å; P96-W135 HydrophobicContact CG-CZ3 4.4Å; Y98-W135 VanDerWaalsContact OH-CH2 3.28Å; Y98-W135 WeakPolarHBondContact OH-CH2 3.46Å; H133-W135 HydrophobicContact CB-CE3 4.18Å; H133-W135 HydrophobicContact CB-CZ3 4.3Å; W135-Y174 AromaticContact CD1-CD1 3.85Å; W135-Y174 AromaticContact CD1-CD2 3.73Å; W135-Y174 AromaticContact CD1-CE1 3.86Å; W135-Y174 AromaticContact CD1-CE2 3.75Å; W135-Y174 AromaticContact CD1-CG 3.8Å; W135-Y174 AromaticContact CD1-CZ 3.84Å; W135-Y174 AromaticContact NE1-CE2 3.9Å; W135-Y174 AromaticContact NE1-CZ 3.99Å; W135-V175 VanDerWaalsContact CA-O 3.26Å; W135-V175 WeakPolarHBondContact CA-O 3.42Å; W135-V175 WeakPolarHBondContact CB-O 3.4Å; W135-V176 HydrophobicContact CB-CB 4.26Å; W135-V176 HydrophobicContact CB-CG1 4.31Å; W135-V176 HydrophobicContact CB-CG2 3.87Å; W135-F240 WeakPolarHBondContact O-CE1 3.48Å
136	L	98.8	Very high	97.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	164.2	-174.5	68.3	169.2	0	0	0	109.1	I123 Y174 V175 L194 L196 P238 F240	I123-L136 HydrophobicContact CD1-CD1 3.41Å; I123-L136 VanDerWaalsContact CD1-CD1 3.41Å; L136-Y174 WeakPolarHBondContact O-CA 3.47Å; L136-Y174 WeakPolarHBondContact O-CD1 3.44Å; L136-V175 HydrophobicContact CD2-CG1 3.73Å; L136-V175 HydrophobicContact CG-CG1 4.13Å; L136-V175 PolarHBondContact N-O 2.93Å; L136-V175 PolarHBondContact O-N 3.08Å; L136-L194 HydrophobicContact CD1-CD2 4.47Å; L136-L194 HydrophobicContact CD2-CD2 3.96Å; L136-L196 HydrophobicContact CD1-CD1 4.02Å; L136-L196 HydrophobicContact CD2-CD1 4.24Å; L136-P238 HydrophobicContact CD1-CB 4.03Å; L136-P238 HydrophobicContact CG-CB 4.48Å; L136-F240 HydrophobicContact CB-CD1 4.18Å; L136-F240 HydrophobicContact CB-CD2 4.44Å; L136-F240 HydrophobicContact CB-CE1 4.16Å; L136-F240 HydrophobicContact CB-CE2 4.43Å; L136-F240 HydrophobicContact CB-CG 4.32Å; L136-F240 HydrophobicContact CB-CZ 4.3Å
137	H	98.9	Very high	97.4	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.009	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	141.7	-172.6	-61.8	110.7	0	0	0	112.2	E173 Y174 R234 P238 C239 D241	H137-E173 CarbonylContact C-O 3.59Å; H137-E173 VanDerWaalsContact CA-O 3.23Å; H137-E173 WeakPolarHBondContact CA-O 3.21Å; H137-Y174 AromaticContact CD2-CD1 3.6Å; H137-Y174 AromaticContact CD2-CE1 3.17Å; H137-Y174 WeakPolarHBondContact CD2-CE1 3.32Å; H137-Y174 AromaticContact CE1-CE1 3.81Å; H137-Y174 AromaticContact CG-CE1 3.81Å; H137-Y174 AromaticContact NE2-CE1 3.21Å; H137-Y174 WeakPolarHBondContact NE2-CE1 3.44Å; H137-Y174 AromaticContact NE2-CZ 3.78Å; H137-R234 HydrophobicContact CB-CB 3.58Å; H137-R234 HydrophobicContact CB-CG 4.42Å; H137-R234 PolarHBondContact CD2-NH1 2.86Å; H137-R234 PolarHBondContact CD2-NH2 3.02Å; H137-R234 PolarHBondContact CE1-NH2 3.03Å; H137-R234 PolarHBondContact NE2-NH2 3.09Å; H137-P238 WeakPolarHBondContact O-CA 3.4Å; H137-C239 WeakPolarHBondContact CB-O 3.29Å; H137-C239 PolarHBondContact N-O 3.28Å; H137-C239 PolarHBondContact O-N 2.94Å; H137-D241 HydrophobicContact CB-CB 3.82Å; H137-D241 WeakPolarHBondContact ND1-CB 3.32Å; H137-D241 PolarHBondContact ND1-N 3.47Å; H137-D241 VanDerWaalsContact ND1-N 3.12Å
138	I	98.1	Very high	97.4	Very high	7 Å²	7	43.3 Å²	43.3	4%	0.036	22%	0.217	C	C	.	.			trans	-152.9	137.3	168.3	-158.6	179.2	0	0	0	110.4	T141 V143 E168 E173 V175 R234 P238	I138-T141 HydrophobicContact CD1-CG2 4.48Å; I138-T141 WeakPolarHBondContact CD1-O 3.12Å; I138-T141 VanDerWaalsContact CG1-O 3.26Å; I138-T141 WeakPolarHBondContact CG1-O 3.34Å; I138-V143 HydrophobicContact CD1-CG2 4.03Å; I138-E168 HydrophobicContact CG2-CG 4.44Å; I138-E173 PolarHBondContact N-O 3.13Å; I138-E173 CarbonylContact O-C 3.57Å; I138-E173 VanDerWaalsContact O-O 3.09Å; I138-V175 HydrophobicContact CB-CG1 4.15Å; I138-V175 HydrophobicContact CG2-CB 3.75Å; I138-V175 HydrophobicContact CG2-CG1 3.92Å; I138-R234 WeakPolarHBondContact CA-O 3.35Å; I138-P238 HydrophobicContact CD1-CB 4.45Å; I138-P238 HydrophobicContact CD1-CG 3.86Å; I138-P238 HydrophobicContact CG1-CG 4.3Å
139	R	95.5	Very high	97.4	Very high	35 Å²	35	39.2 Å²	39.2	13%	0.132	19%	0.188	C	C	.	.			trans	-141.8	133.5	175	-161.7	-177.8	81.5	-147.2	-4.5	111.4	T141 E173 D232 R234 K235	R139-T141 PolarHBondContact O-N 3.44Å; R139-E173 WeakPolarHBondContact CD-OE1 3.34Å; R139-E173 IonicContact NH1-OE1 3.53Å; R139-D232 IonicContact CZ-OD1 3.33Å; R139-D232 IonicContact NH1-OD1 3.44Å; R139-D232 PolarHBondContact NH1-OD1 3.15Å; R139-D232 IonicContact NH2-OD1 2.74Å; R139-D232 PolarHBondContact NH2-OD1 2.63Å; R139-R234 HydrophobicContact CB-CG 4.15Å; R139-R234 PolarHBondContact N-O 3.27Å; R139-K235 WeakPolarHBondContact O-CA 3.48Å
140	E	94.1	Very high	97.5	Very high	111 Å²	111	36.6 Å²	36.6	52%	0.519	18%	0.177	S	C	.	.	S	Bend	trans	60.9	-52	-178.1	-65.2	170.1	-133.8	0	0	116.3	K235	E140-K235 VanDerWaalsContact CD-CE 3.47Å; E140-K235 WeakPolarHBondContact OE2-CE 3.26Å
141	T	96.2	Very high	97.4	Very high	5 Å²	5	34 Å²	34	3%	0.031	16%	0.159	C	C	.	.	S	Bend	trans	-57	142.5	163.2	-69.6	0	0	0	0	109.1	Y117 I138 R139 F198 K235	Y117-T141 PolarHBondContact OH-OG1 2.9Å; I138-T141 HydrophobicContact CD1-CG2 4.48Å; I138-T141 WeakPolarHBondContact CD1-O 3.12Å; I138-T141 VanDerWaalsContact CG1-O 3.26Å; I138-T141 WeakPolarHBondContact CG1-O 3.34Å; R139-T141 PolarHBondContact O-N 3.44Å; T141-F198 HydrophobicContact CG2-CB 3.97Å; T141-F198 HydrophobicContact CG2-CD2 3.86Å; T141-F198 HydrophobicContact CG2-CG 4.28Å; T141-K235 WeakPolarHBondContact CB-O 3.42Å; T141-K235 PolarHBondContact OG1-O 2.89Å
142	F	96.2	Very high	97.4	Very high	22 Å²	22	35.5 Å²	35.5	10%	0.096	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	152.7	-176.7	67.6	-85.9	0	0	0	111	R77 S144 F198 Q199	R77-F142 HydrophobicContact CB-CB 4.41Å; R77-F142 HydrophobicContact CB-CD1 3.94Å; R77-F142 HydrophobicContact CB-CD2 3.66Å; R77-F142 HydrophobicContact CB-CE1 4.06Å; R77-F142 HydrophobicContact CB-CE2 3.79Å; R77-F142 HydrophobicContact CB-CG 3.73Å; R77-F142 HydrophobicContact CB-CZ 3.98Å; R77-F142 HydrophobicContact CG-CD1 4.39Å; R77-F142 HydrophobicContact CG-CE1 4.15Å; R77-F142 HydrophobicContact CG-CE2 4.44Å; R77-F142 HydrophobicContact CG-CZ 4.17Å; R77-F142 WeakPolarHBondContact O-CD2 2.92Å; F142-S144 PolarHBondContact O-N 2.66Å; F142-F198 VanDerWaalsContact O-CA 3.23Å; F142-F198 WeakPolarHBondContact O-CA 3.03Å; F142-F198 WeakPolarHBondContact O-CB 3.5Å; F142-Q199 VanDerWaalsContact CD1-O 3.31Å; F142-Q199 WeakPolarHBondContact CD1-O 3.47Å; F142-Q199 HydrophobicContact CE1-CB 3.92Å; F142-Q199 HydrophobicContact CE1-CG 4.21Å; F142-Q199 HydrophobicContact CE2-CB 4.34Å; F142-Q199 HydrophobicContact CZ-CB 3.76Å; F142-Q199 HydrophobicContact CZ-CG 4.18Å; F142-Q199 PolarHBondContact N-O 2.87Å; F142-Q199 VanDerWaalsContact N-O 3.12Å; F142-Q199 PolarHBondContact O-N 3.21Å
143	V	97.9	Very high	97.1	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	119.6	172.8	174.6	0	0	0	0	108.7	G78 P79 C80 I138 A145 P147 V175 L196 D197	G78-V143 WeakPolarHBondContact CA-O 3.16Å; P79-V143 WeakPolarHBondContact CD-O 3.39Å; C80-V143 HydrophobicContact CB-CB 4.42Å; I138-V143 HydrophobicContact CD1-CG2 4.03Å; V143-A145 WeakPolarHBondContact CG1-O 3.36Å; V143-P147 HydrophobicContact CG1-CG 4.27Å; V143-V175 HydrophobicContact CG2-CG2 4.16Å; V143-L196 HydrophobicContact CG1-CD2 4.4Å; V143-L196 HydrophobicContact CG2-CD2 4.28Å; V143-D197 CarbonylContact C-O 3.46Å; V143-D197 WeakPolarHBondContact CA-O 3.37Å
144	S	97.4	Very high	96.6	Very high	46 Å²	46	35.4 Å²	35.4	32%	0.322	18%	0.18	S	C	.	.			trans	-92.8	-17.4	-171	61.8	0	0	0	0	113.9	F142 D197 F198	F142-S144 PolarHBondContact O-N 2.66Å; S144-D197 PolarHBondContact N-O 2.71Å; S144-D197 VanDerWaalsContact OG-C 3.26Å; S144-D197 PolarHBondContact OG-O 3.24Å; S144-F198 PolarHBondContact OG-N 2.98Å
145	A	96.9	Very high	96.1	Very high	36 Å²	36	41.9 Å²	41.9	30%	0.298	22%	0.215	S	C	.	.	S	Bend	trans	-140.8	165.1	177.3	0	0	0	0	0	112.1	P79 V143 P147 D197	P79-A145 WeakPolarHBondContact CG-O 3.29Å; V143-A145 WeakPolarHBondContact CG1-O 3.36Å; A145-P147 WeakPolarHBondContact O-CD 3.44Å; A145-D197 HydrophobicContact CB-CB 3.99Å
146	K	96.5	Very high	95.6	Very high	113 Å²	113	43.3 Å²	43.3	49%	0.491	23%	0.232	S	C	.	.			trans	-61.4	127.3	-175.5	-173.9	178.9	177.5	-179.4	0	109.2	V163	K146-V163 WeakPolarHBondContact CE-O 3.44Å; K146-V163 PolarHBondContact NZ-O 3.4Å
147	P	98.3	Very high	95.2	Very high	4 Å²	4	47.7 Å²	47.7	3%	0.026	26%	0.259	C	S	.	.			trans	-54	143.7	175.7	-28.3	35.9	0	0	0	111.9	V143 A145 C166 V177 L194 L196	V143-P147 HydrophobicContact CG1-CG 4.27Å; A145-P147 WeakPolarHBondContact O-CD 3.44Å; P147-C166 VanDerWaalsContact CD-SG 3.59Å; P147-C166 HydrophobicContact CG-CB 3.91Å; P147-V177 HydrophobicContact CB-CG1 4.12Å; P147-V177 HydrophobicContact CB-CG2 4.09Å; P147-V177 HydrophobicContact CG-CG2 4.07Å; P147-L194 HydrophobicContact CB-CD1 4.46Å; P147-L196 HydrophobicContact CB-CD2 3.66Å; P147-L196 HydrophobicContact CG-CD2 3.66Å
148	R	98.4	Very high	95	Very high	101 Å²	101	51.9 Å²	51.9	38%	0.381	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	141.6	173.8	-55.4	167.7	-72.8	-80.2	8.1	108.9	S195 D197	R148-S195 PolarHBondContact N-O 3.29Å; R148-S195 PolarHBondContact O-N 2.96Å; R148-D197 IonicContact CZ-OD2 2.98Å; R148-D197 IonicContact NH1-OD2 2.76Å; R148-D197 PolarHBondContact NH1-OD2 3.38Å; R148-D197 IonicContact NH2-OD1 3.71Å; R148-D197 PolarHBondContact NH2-OD1 3.29Å; R148-D197 IonicContact NH2-OD2 3.46Å; R148-D197 PolarHBondContact NH2-OD2 3.38Å
149	L	98.5	Very high	94.8	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.021	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	133.5	178.4	-175	63	0	0	0	109.2	L134 V161 V163 A179 L183 Y192 V193 L194	L134-L149 HydrophobicContact CD1-CD1 3.9Å; L134-L149 HydrophobicContact CD1-CD2 4.41Å; L149-V161 HydrophobicContact CB-CB 4.2Å; L149-V161 HydrophobicContact CD2-CB 4.02Å; L149-V161 HydrophobicContact CD2-CG1 3.86Å; L149-V161 HydrophobicContact CG-CB 3.96Å; L149-V161 HydrophobicContact CG-CG1 4.38Å; L149-V161 PolarHBondContact O-N 3.02Å; L149-V161 VanDerWaalsContact O-O 3.12Å; L149-V163 HydrophobicContact CB-CG2 3.88Å; L149-A179 HydrophobicContact CD2-CB 4.16Å; L149-L183 HydrophobicContact CD2-CD1 3.99Å; L149-L183 HydrophobicContact CD2-CD2 3.91Å; L149-Y192 HydrophobicContact CD1-CD1 4.38Å; L149-V193 WeakPolarHBondContact CA-O 3.46Å; L149-L194 HydrophobicContact CD1-CB 4.28Å
150	K	97.9	Very high	94.9	Very high	59 Å²	59	61.6 Å²	61.6	26%	0.257	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	152.1	174.3	-63.5	178.9	173.9	177.9	0	109.7	Q158 R159 D160 Y192 V193	K150-Q158 HydrophobicContact CD-CB 4.34Å; K150-Q158 VanDerWaalsContact CD-OE1 3.29Å; K150-R159 CarbonylContact C-O 3.43Å; K150-R159 WeakPolarHBondContact CA-O 3.06Å; K150-D160 WeakPolarHBondContact CE-OD1 3.37Å; K150-D160 WeakPolarHBondContact CG-OD1 3.47Å; K150-Y192 CarbonylContact O-C 3.59Å; K150-Y192 VanDerWaalsContact O-CA 3.26Å; K150-Y192 WeakPolarHBondContact O-CA 3.25Å; K150-V193 HydrophobicContact CB-CB 4.4Å; K150-V193 PolarHBondContact N-O 3.12Å; K150-V193 PolarHBondContact O-N 3.16Å
151	V	96.9	Very high	95.1	Very high	11 Å²	11	56.7 Å²	56.7	7%	0.067	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	131.7	159.8	62.5	0	0	0	0	108.2	Q158 R159 V161 Q190 Y192	V151-Q158 CarbonylContact O-C 3.57Å; V151-Q158 WeakPolarHBondContact O-CA 3.48Å; V151-R159 HydrophobicContact CG1-CB 3.78Å; V151-R159 HydrophobicContact CG1-CG 4.48Å; V151-R159 PolarHBondContact N-O 2.94Å; V151-R159 PolarHBondContact O-N 3.17Å; V151-V161 HydrophobicContact CB-CG2 4.42Å; V151-V161 HydrophobicContact CG1-CG2 4.35Å; V151-Q190 HydrophobicContact CG2-CG 3.81Å; V151-Y192 HydrophobicContact CB-CD1 3.99Å; V151-Y192 HydrophobicContact CB-CE1 3.8Å; V151-Y192 HydrophobicContact CG2-CD1 4.36Å; V151-Y192 HydrophobicContact CG2-CE1 4.05Å
152	Q	95.9	Very high	95.1	Very high	42 Å²	42	63.2 Å²	63.2	20%	0.196	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	124.3	176.9	-179	173.5	-41.7	0	0	108.8	V157 Q158 Q190 V191 V193	Q152-V157 WeakPolarHBondContact CA-O 3.37Å; Q152-Q158 HydrophobicContact CB-CG 4.16Å; Q152-Q158 HydrophobicContact CG-CG 4.11Å; Q152-Q190 WeakPolarHBondContact O-CA 3.05Å; Q152-Q190 VanDerWaalsContact O-CG 3.3Å; Q152-Q190 WeakPolarHBondContact O-CG 3.25Å; Q152-V191 HydrophobicContact CB-CG2 4.03Å; Q152-V191 PolarHBondContact N-O 3.06Å; Q152-V191 PolarHBondContact O-N 3.09Å; Q152-V193 HydrophobicContact CB-CG2 4.23Å
153	D	92	Very high	95.2	Very high	51 Å²	51	62.5 Å²	62.5	27%	0.273	33%	0.329	S	S	.	.			trans	-79.6	175.6	176.3	79	4.9	0	0	0	112.7	N155 G156 V157	D153-N155 PolarHBondContact O-N 2.89Å; D153-N155 VanDerWaalsContact O-N 3.12Å; D153-N155 VanDerWaalsContact OD1-CA 3.32Å; D153-N155 WeakPolarHBondContact OD1-CA 3.26Å; D153-N155 WeakPolarHBondContact OD1-CB 3.42Å; D153-N155 PolarHBondContact OD1-N 3.26Å; D153-G156 PolarHBondContact O-N 2.85Å; D153-G156 PolarHBondContact OD1-N 2.93Å; D153-V157 PolarHBondContact N-O 2.78Å; D153-V157 WeakPolarHBondContact OD1-CB 3.28Å; D153-V157 PolarHBondContact OD1-N 3.08Å
154	S	87.9	Confident	95.2	Very high	83 Å²	83	66.6 Å²	66.6	58%	0.58	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-16.5	179.4	63.7	0	0	0	0	114.4	G189	S154-G189 WeakPolarHBondContact CA-O 3.43Å
155	N	87.2	Confident	95.1	Very high	138 Å²	138	68.9 Å²	68.9	74%	0.738	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	2	177.3	-57.7	-51.3	0	0	0	112.2	D153 V157	D153-N155 PolarHBondContact O-N 2.89Å; D153-N155 VanDerWaalsContact O-N 3.12Å; D153-N155 VanDerWaalsContact OD1-CA 3.32Å; D153-N155 WeakPolarHBondContact OD1-CA 3.26Å; D153-N155 WeakPolarHBondContact OD1-CB 3.42Å; D153-N155 PolarHBondContact OD1-N 3.26Å; N155-V157 VanDerWaalsContact C-N 3.33Å; N155-V157 HydrophobicContact CB-CG2 4.39Å
156	G	87.5	Confident	95.1	Very high	39 Å²	39	68 Å²	68	40%	0.402	34%	0.344	S	S	.	.			trans	80.6	8.4	-177	0	0	0	0	0	114.4	D153 Q158	D153-G156 PolarHBondContact O-N 2.85Å; D153-G156 PolarHBondContact OD1-N 2.93Å; G156-Q158 PolarHBondContact O-N 3.01Å
157	V	91.1	Very high	95.2	Very high	91 Å²	91	63 Å²	63	55%	0.552	32%	0.322	S	S	*	.			trans	-73.5	125.4	175.4	-177.1	0	0	0	0	108.7	Q152 D153 N155	Q152-V157 WeakPolarHBondContact CA-O 3.37Å; D153-V157 PolarHBondContact N-O 2.78Å; D153-V157 WeakPolarHBondContact OD1-CB 3.28Å; D153-V157 PolarHBondContact OD1-N 3.08Å; N155-V157 VanDerWaalsContact C-N 3.33Å; N155-V157 HydrophobicContact CB-CG2 4.39Å
158	Q	93.8	Very high	95.1	Very high	91 Å²	91	63.5 Å²	63.5	43%	0.425	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	137.6	-178.8	-65.1	-174.2	-10.4	0	0	111.6	K150 V151 Q152 G156	K150-Q158 HydrophobicContact CD-CB 4.34Å; K150-Q158 VanDerWaalsContact CD-OE1 3.29Å; V151-Q158 CarbonylContact O-C 3.57Å; V151-Q158 WeakPolarHBondContact O-CA 3.48Å; Q152-Q158 HydrophobicContact CB-CG 4.16Å; Q152-Q158 HydrophobicContact CG-CG 4.11Å; G156-Q158 PolarHBondContact O-N 3.01Å
159	R	95.5	Very high	95.1	Very high	125 Å²	125	60 Å²	60	47%	0.472	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	129.1	168.6	179.8	-170.1	72.8	125.2	6.1	108.8	K150 V151 E181	K150-R159 CarbonylContact C-O 3.43Å; K150-R159 WeakPolarHBondContact CA-O 3.06Å; V151-R159 HydrophobicContact CG1-CB 3.78Å; V151-R159 HydrophobicContact CG1-CG 4.48Å; V151-R159 PolarHBondContact N-O 2.94Å; V151-R159 PolarHBondContact O-N 3.17Å; R159-E181 IonicContact CZ-OE1 2.96Å; R159-E181 IonicContact NH1-OE1 3.5Å; R159-E181 PolarHBondContact NH1-OE1 3.04Å; R159-E181 IonicContact NH1-OE2 3.62Å; R159-E181 IonicContact NH2-OE1 3.27Å; R159-E181 PolarHBondContact NH2-OE1 2.88Å
160	D	97.1	Very high	95	Very high	121 Å²	121	65.2 Å²	65.2	65%	0.647	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	141.3	175.5	-65	-43.7	0	0	0	111.3	K150	K150-D160 WeakPolarHBondContact CE-OD1 3.37Å; K150-D160 WeakPolarHBondContact CG-OD1 3.47Å
161	V	97.4	Very high	94.8	Very high	7 Å²	7	66.6 Å²	66.6	4%	0.042	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	122	171.1	-178.2	0	0	0	0	107.4	L149 V151 V163 A179 E181 L183 Y192	L149-V161 HydrophobicContact CB-CB 4.2Å; L149-V161 HydrophobicContact CD2-CB 4.02Å; L149-V161 HydrophobicContact CD2-CG1 3.86Å; L149-V161 HydrophobicContact CG-CB 3.96Å; L149-V161 HydrophobicContact CG-CG1 4.38Å; L149-V161 PolarHBondContact O-N 3.02Å; L149-V161 VanDerWaalsContact O-O 3.12Å; V151-V161 HydrophobicContact CB-CG2 4.42Å; V151-V161 HydrophobicContact CG1-CG2 4.35Å; V161-V163 PolarHBondContact O-N 2.91Å; V161-A179 HydrophobicContact CG1-CB 4.22Å; V161-E181 HydrophobicContact CG1-CG 4Å; V161-L183 HydrophobicContact CG1-CD2 3.82Å; V161-Y192 HydrophobicContact CG2-CE1 4.41Å
162	E	97.7	Very high	94.8	Very high	143 Å²	143	68.2 Å²	68.2	67%	0.668	36%	0.355	S	S	*	.			trans	-66.3	133.6	-178.1	-177.4	175.5	-171.7	0	0	111	A180	E162-A180 HydrophobicContact CB-CB 3.78Å; E162-A180 HydrophobicContact CG-CB 3.97Å; E162-A180 WeakPolarHBondContact O-CB 3.39Å; E162-A180 PolarHBondContact O-N 2.85Å
163	V	98	Very high	94.9	Very high	7 Å²	7	67.6 Å²	67.6	4%	0.042	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	118.2	173.8	174.7	0	0	0	0	109	K146 L149 V161 V177	K146-V163 WeakPolarHBondContact CE-O 3.44Å; K146-V163 PolarHBondContact NZ-O 3.4Å; L149-V163 HydrophobicContact CB-CG2 3.88Å; V161-V163 PolarHBondContact O-N 2.91Å; V163-V177 HydrophobicContact CG1-CG1 3.69Å; V163-V177 HydrophobicContact CG2-CG1 4.03Å
164	N	96.4	Very high	95.2	Very high	87 Å²	87	65.2 Å²	65.2	47%	0.465	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	-54.5	-179.8	-174.8	29.4	0	0	0	110.8	E178	N164-E178 HydrophobicContact CB-CG 4.39Å; N164-E178 PolarHBondContact N-O 3Å; N164-E178 PolarHBondContact ND2-OE1 3.37Å
165	R	95.9	Very high	95.7	Very high	94 Å²	94	61.3 Å²	61.3	36%	0.355	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	166.2	177.8	63.4	172.8	178.9	150.3	6	111.8	D85 E178	D85-R165 IonicContact OD2-CZ 3.45Å; D85-R165 IonicContact OD2-NH1 3.09Å; D85-R165 PolarHBondContact OD2-NH1 3.24Å; D85-R165 IonicContact OD2-NH2 2.87Å; D85-R165 PolarHBondContact OD2-NH2 2.92Å; R165-E178 HydrophobicContact CG-CB 3.86Å; R165-E178 WeakPolarHBondContact CG-OE2 3.24Å; R165-E178 IonicContact CZ-OE2 2.69Å; R165-E178 IonicContact NE-OE2 2.89Å; R165-E178 PolarHBondContact NE-OE2 3.2Å; R165-E178 IonicContact NH2-OE2 3.1Å; R165-E178 PolarHBondContact NH2-OE2 3.45Å; R165-E178 PolarHBondContact O-N 3.17Å
166	C	97.7	Very high	96.3	Very high	17 Å²	17	54.7 Å²	54.7	12%	0.115	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	155.9	163.6	64.8	0	0	0	0	110.2	C80 P147 V176 V177	C80-C166 WeakPolarHBondContact CA-SG 3.31Å; C80-C166 HydrophobicContact CB-CB 3.9Å; C80-C166 WeakPolarHBondContact CB-SG 3.31Å; C80-C166 WeakPolarHBondContact SG-CB 3Å; C80-C166 CovalentContact SG-SG 2.04Å; C80-C166 PolarHBondContact SG-SG 3.26Å; P147-C166 VanDerWaalsContact CD-SG 3.59Å; P147-C166 HydrophobicContact CG-CB 3.91Å; C166-V176 CarbonylContact C-O 3.56Å; C166-V176 WeakPolarHBondContact CA-O 3.48Å; C166-V176 WeakPolarHBondContact CB-O 3.28Å; C166-V177 HydrophobicContact CB-CG2 4.41Å
167	F	97.4	Very high	96.8	Very high	8 Å²	8	53 Å²	53	4%	0.035	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	157.9	177.6	59	-90.4	0	0	0	111.4	L81 D85 W90 V175 V176	L81-F167 CarbonylContact O-C 2.85Å; L81-F167 VanDerWaalsContact O-CA 3.26Å; L81-F167 WeakPolarHBondContact O-CA 3.44Å; L81-F167 VanDerWaalsContact O-CB 3.31Å; L81-F167 WeakPolarHBondContact O-CB 3.33Å; D85-F167 HydrophobicContact CB-CE2 4.47Å; W90-F167 HydrophobicContact CD2-CZ 4.22Å; W90-F167 AromaticContact CE2-CE2 3.99Å; W90-F167 AromaticContact CE2-CZ 3.68Å; W90-F167 HydrophobicContact CH2-CZ 4.01Å; W90-F167 HydrophobicContact CZ2-CE2 4.27Å; W90-F167 AromaticContact CZ2-CZ 3.58Å; W90-F167 HydrophobicContact CZ2-CZ 3.58Å; W90-F167 HydrophobicContact CZ3-CZ 4.5Å; W90-F167 AromaticContact NE1-CE2 3.87Å; F167-V175 WeakPolarHBondContact O-CA 3.42Å; F167-V176 HydrophobicContact CD1-CB 4.24Å; F167-V176 HydrophobicContact CD2-CB 4.07Å; F167-V176 HydrophobicContact CD2-CG2 4.13Å; F167-V176 HydrophobicContact CE1-CB 3.81Å; F167-V176 HydrophobicContact CE1-CG1 3.8Å; F167-V176 HydrophobicContact CE2-CB 3.64Å; F167-V176 HydrophobicContact CE2-CG1 4.2Å; F167-V176 HydrophobicContact CE2-CG2 3.53Å; F167-V176 HydrophobicContact CG-CB 4.37Å; F167-V176 HydrophobicContact CZ-CB 3.49Å; F167-V176 VanDerWaalsContact CZ-CB 3.49Å; F167-V176 HydrophobicContact CZ-CG1 3.56Å; F167-V176 HydrophobicContact CZ-CG2 3.79Å; F167-V176 PolarHBondContact N-O 3.44Å; F167-V176 PolarHBondContact O-N 3.09Å
168	E	97.6	Very high	97.1	Very high	15 Å²	15	49.3 Å²	49.3	7%	0.07	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	130	172.5	-70.1	-179.6	-174.7	0	0	110.9	L81 A82 S83 I138 K170 Y174	L81-E168 PolarHBondContact O-N 3.39Å; A82-E168 WeakPolarHBondContact CA-O 3.33Å; S83-E168 PolarHBondContact N-O 2.97Å; I138-E168 HydrophobicContact CG2-CG 4.44Å; E168-K170 WeakPolarHBondContact OE2-CE 3.48Å; E168-K170 IonicContact OE2-NZ 3.81Å; E168-K170 PolarHBondContact OE2-NZ 2.93Å; E168-Y174 CarbonylContact C-O 3.46Å; E168-Y174 VanDerWaalsContact CA-O 3.29Å; E168-Y174 WeakPolarHBondContact CA-O 3.34Å
169	Y	97.7	Very high	97.3	Very high	26 Å²	26	45 Å²	45	10%	0.102	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	92.2	172.2	-171.8	-108.9	0	0	0	109.1	W90 K91 P171 E172 E173 Y174	W90-Y169 AromaticContact CD1-CD1 3.91Å; W90-Y169 AromaticContact CD1-CD2 3.98Å; W90-Y169 AromaticContact CD1-CG 3.7Å; W90-Y169 WeakPolarHBondContact O-CD1 2.99Å; K91-Y169 HydrophobicContact CB-CE1 4.43Å; Y169-P171 VanDerWaalsContact C-CD 3.44Å; Y169-P171 HydrophobicContact CE1-CB 3.99Å; Y169-P171 HydrophobicContact CE1-CG 4.07Å; Y169-P171 HydrophobicContact CE2-CG 4.24Å; Y169-E172 HydrophobicContact CD1-CB 4.17Å; Y169-E172 HydrophobicContact CD1-CG 4.07Å; Y169-E172 HydrophobicContact CE1-CB 4.35Å; Y169-E172 HydrophobicContact CE1-CG 3.74Å; Y169-E173 PolarHBondContact O-N 2.87Å; Y169-Y174 PolarHBondContact N-O 2.96Å; Y169-Y174 PolarHBondContact O-N 2.86Å
170	K	95.4	Very high	97.4	Very high	114 Å²	114	40.9 Å²	40.9	50%	0.496	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-59.5	-38.5	-171.2	-64.9	-59.7	-164.5	-177.5	0	115.8	A82 E168 E172 E173	A82-K170 HydrophobicContact CB-CG 4.42Å; E168-K170 WeakPolarHBondContact OE2-CE 3.48Å; E168-K170 IonicContact OE2-NZ 3.81Å; E168-K170 PolarHBondContact OE2-NZ 2.93Å; K170-E172 VanDerWaalsContact C-N 3.25Å; K170-E172 PolarHBondContact O-N 2.89Å; K170-E173 PolarHBondContact O-N 2.83Å; K170-E173 VanDerWaalsContact O-N 3.15Å
171	P	95.1	Very high	97.4	Very high	88 Å²	88	38.6 Å²	38.6	57%	0.571	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-56.2	-37.4	-175.9	-28.6	36.8	0	0	0	114.3	Y169	Y169-P171 VanDerWaalsContact C-CD 3.44Å; Y169-P171 HydrophobicContact CE1-CB 3.99Å; Y169-P171 HydrophobicContact CE1-CG 4.07Å; Y169-P171 HydrophobicContact CE2-CG 4.24Å
172	E	97.1	Very high	97.4	Very high	46 Å²	46	44.5 Å²	44.5	22%	0.215	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-110.6	14.3	-178.8	-50.8	-57.7	155.1	0	0	112	F93 Y169 K170 Y174	F93-E172 VanDerWaalsContact CA-OE2 3.29Å; F93-E172 WeakPolarHBondContact CA-OE2 3.2Å; F93-E172 WeakPolarHBondContact CB-OE2 2.98Å; F93-E172 WeakPolarHBondContact CD2-OE2 3.5Å; Y169-E172 HydrophobicContact CD1-CB 4.17Å; Y169-E172 HydrophobicContact CD1-CG 4.07Å; Y169-E172 HydrophobicContact CE1-CB 4.35Å; Y169-E172 HydrophobicContact CE1-CG 3.74Å; K170-E172 VanDerWaalsContact C-N 3.25Å; K170-E172 PolarHBondContact O-N 2.89Å; E172-Y174 HydrophobicContact CB-CD2 3.54Å; E172-Y174 HydrophobicContact CB-CE2 3.43Å; E172-Y174 VanDerWaalsContact CB-CE2 3.43Å; E172-Y174 HydrophobicContact CB-CG 4.41Å; E172-Y174 HydrophobicContact CG-CE2 4.29Å; E172-Y174 PolarHBondContact O-N 3.17Å
173	E	97.7	Very high	97.3	Very high	28 Å²	28	37.8 Å²	37.8	13%	0.131	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	42.9	177.9	-53.8	-179.7	160.5	0	0	114	H137 I138 R139 Y169 K170 R234	H137-E173 CarbonylContact C-O 3.59Å; H137-E173 VanDerWaalsContact CA-O 3.23Å; H137-E173 WeakPolarHBondContact CA-O 3.21Å; I138-E173 PolarHBondContact N-O 3.13Å; I138-E173 CarbonylContact O-C 3.57Å; I138-E173 VanDerWaalsContact O-O 3.09Å; R139-E173 WeakPolarHBondContact CD-OE1 3.34Å; R139-E173 IonicContact NH1-OE1 3.53Å; Y169-E173 PolarHBondContact O-N 2.87Å; K170-E173 PolarHBondContact O-N 2.83Å; K170-E173 VanDerWaalsContact O-N 3.15Å; E173-R234 WeakPolarHBondContact OE2-CD 3.41Å; E173-R234 IonicContact OE2-CZ 3.1Å; E173-R234 IonicContact OE2-NE 3.73Å; E173-R234 IonicContact OE2-NH1 2.67Å; E173-R234 PolarHBondContact OE2-NH1 2.75Å
174	Y	98.6	Very high	97.3	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.008	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	151.3	-179.2	-67.1	-47	0	0	0	114.2	W90 N92 F93 L95 W135 L136 H137 E168 Y169 E172	W90-Y174 HydrophobicContact CB-CD2 4.16Å; W90-Y174 VanDerWaalsContact O-CD2 3.24Å; W90-Y174 WeakPolarHBondContact O-CD2 3.41Å; W90-Y174 WeakPolarHBondContact O-CE2 3.26Å; N92-Y174 WeakPolarHBondContact O-CE2 3.35Å; N92-Y174 PolarHBondContact O-OH 3.32Å; F93-Y174 PolarHBondContact O-OH 3.48Å; L95-Y174 HydrophobicContact CD2-CD1 4.39Å; L95-Y174 HydrophobicContact CD2-CE1 3.55Å; L95-Y174 HydrophobicContact CG-CE1 4.21Å; W135-Y174 AromaticContact CD1-CD1 3.85Å; W135-Y174 AromaticContact CD1-CD2 3.73Å; W135-Y174 AromaticContact CD1-CE1 3.86Å; W135-Y174 AromaticContact CD1-CE2 3.75Å; W135-Y174 AromaticContact CD1-CG 3.8Å; W135-Y174 AromaticContact CD1-CZ 3.84Å; W135-Y174 AromaticContact NE1-CE2 3.9Å; W135-Y174 AromaticContact NE1-CZ 3.99Å; L136-Y174 WeakPolarHBondContact O-CA 3.47Å; L136-Y174 WeakPolarHBondContact O-CD1 3.44Å; H137-Y174 AromaticContact CD2-CD1 3.6Å; H137-Y174 AromaticContact CD2-CE1 3.17Å; H137-Y174 WeakPolarHBondContact CD2-CE1 3.32Å; H137-Y174 AromaticContact CE1-CE1 3.81Å; H137-Y174 AromaticContact CG-CE1 3.81Å; H137-Y174 AromaticContact NE2-CE1 3.21Å; H137-Y174 WeakPolarHBondContact NE2-CE1 3.44Å; H137-Y174 AromaticContact NE2-CZ 3.78Å; E168-Y174 CarbonylContact C-O 3.46Å; E168-Y174 VanDerWaalsContact CA-O 3.29Å; E168-Y174 WeakPolarHBondContact CA-O 3.34Å; Y169-Y174 PolarHBondContact N-O 2.96Å; Y169-Y174 PolarHBondContact O-N 2.86Å; E172-Y174 HydrophobicContact CB-CD2 3.54Å; E172-Y174 HydrophobicContact CB-CE2 3.43Å; E172-Y174 VanDerWaalsContact CB-CE2 3.43Å; E172-Y174 HydrophobicContact CB-CG 4.41Å; E172-Y174 HydrophobicContact CG-CE2 4.29Å; E172-Y174 PolarHBondContact O-N 3.17Å
175	V	98.4	Very high	97.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	130.6	151.3	57.6	0	0	0	0	109.1	C80 W135 L136 I138 V143 F167	C80-V175 HydrophobicContact CB-CG2 4.18Å; W135-V175 VanDerWaalsContact CA-O 3.26Å; W135-V175 WeakPolarHBondContact CA-O 3.42Å; W135-V175 WeakPolarHBondContact CB-O 3.4Å; L136-V175 HydrophobicContact CD2-CG1 3.73Å; L136-V175 HydrophobicContact CG-CG1 4.13Å; L136-V175 PolarHBondContact N-O 2.93Å; L136-V175 PolarHBondContact O-N 3.08Å; I138-V175 HydrophobicContact CB-CG1 4.15Å; I138-V175 HydrophobicContact CG2-CB 3.75Å; I138-V175 HydrophobicContact CG2-CG1 3.92Å; V143-V175 HydrophobicContact CG2-CG2 4.16Å; F167-V175 WeakPolarHBondContact O-CA 3.42Å
176	V	98.6	Very high	97.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.3	-178.5	-173	0	0	0	0	109	W90 H133 W135 C166 F167	W90-V176 HydrophobicContact CB-CG2 3.86Å; W90-V176 HydrophobicContact CD2-CG1 4.09Å; W90-V176 HydrophobicContact CD2-CG2 4Å; W90-V176 HydrophobicContact CE3-CG1 3.72Å; W90-V176 HydrophobicContact CE3-CG2 4.42Å; W90-V176 HydrophobicContact CG-CG2 3.72Å; W90-V176 HydrophobicContact CZ3-CG1 4.07Å; H133-V176 HydrophobicContact CB-CG1 4.31Å; W135-V176 HydrophobicContact CB-CB 4.26Å; W135-V176 HydrophobicContact CB-CG1 4.31Å; W135-V176 HydrophobicContact CB-CG2 3.87Å; C166-V176 CarbonylContact C-O 3.56Å; C166-V176 WeakPolarHBondContact CA-O 3.48Å; C166-V176 WeakPolarHBondContact CB-O 3.28Å; F167-V176 HydrophobicContact CD1-CB 4.24Å; F167-V176 HydrophobicContact CD2-CB 4.07Å; F167-V176 HydrophobicContact CD2-CG2 4.13Å; F167-V176 HydrophobicContact CE1-CB 3.81Å; F167-V176 HydrophobicContact CE1-CG1 3.8Å; F167-V176 HydrophobicContact CE2-CB 3.64Å; F167-V176 HydrophobicContact CE2-CG1 4.2Å; F167-V176 HydrophobicContact CE2-CG2 3.53Å; F167-V176 HydrophobicContact CG-CB 4.37Å; F167-V176 HydrophobicContact CZ-CB 3.49Å; F167-V176 VanDerWaalsContact CZ-CB 3.49Å; F167-V176 HydrophobicContact CZ-CG1 3.56Å; F167-V176 HydrophobicContact CZ-CG2 3.79Å; F167-V176 PolarHBondContact N-O 3.44Å; F167-V176 PolarHBondContact O-N 3.09Å
177	V	98.6	Very high	97.3	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	119.4	177.4	-176.6	0	0	0	0	108.6	H133 L134 P147 V163 C166 L194	H133-V177 WeakPolarHBondContact CA-O 3.47Å; L134-V177 PolarHBondContact N-O 2.87Å; L134-V177 PolarHBondContact O-N 2.91Å; P147-V177 HydrophobicContact CB-CG1 4.12Å; P147-V177 HydrophobicContact CB-CG2 4.09Å; P147-V177 HydrophobicContact CG-CG2 4.07Å; V163-V177 HydrophobicContact CG1-CG1 3.69Å; V163-V177 HydrophobicContact CG2-CG1 4.03Å; C166-V177 HydrophobicContact CB-CG2 4.41Å; V177-L194 HydrophobicContact CG1-CD1 4.4Å; V177-L194 HydrophobicContact CG2-CD1 4.27Å
178	E	98.2	Very high	97	Very high	15 Å²	15	45.4 Å²	45.4	7%	0.07	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	118.6	177	-173.7	-170.6	147.1	0	0	110.2	R132 H133 N164 R165	R132-E178 HydrophobicContact CG-CG 4.19Å; R132-E178 IonicContact CZ-OE1 3.41Å; R132-E178 IonicContact NE-OE1 3.84Å; R132-E178 PolarHBondContact NE-OE1 2.96Å; R132-E178 VanDerWaalsContact NE-OE1 3.09Å; R132-E178 IonicContact NH2-OE1 2.84Å; R132-E178 PolarHBondContact NH2-OE1 3.23Å; H133-E178 IonicContact NE2-OE2 3.33Å; N164-E178 HydrophobicContact CB-CG 4.39Å; N164-E178 PolarHBondContact N-O 3Å; N164-E178 PolarHBondContact ND2-OE1 3.37Å; R165-E178 HydrophobicContact CG-CB 3.86Å; R165-E178 WeakPolarHBondContact CG-OE2 3.24Å; R165-E178 IonicContact CZ-OE2 2.69Å; R165-E178 IonicContact NE-OE2 2.89Å; R165-E178 PolarHBondContact NE-OE2 3.2Å; R165-E178 IonicContact NH2-OE2 3.1Å; R165-E178 PolarHBondContact NH2-OE2 3.45Å; R165-E178 PolarHBondContact O-N 3.17Å
179	A	98.1	Very high	96.7	Very high	1 Å²	1	47 Å²	47	1%	0.008	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	149.9	171.6	0	0	0	0	0	111.6	R132 L149 V161 E181 L183	R132-A179 WeakPolarHBondContact CG-O 3.43Å; R132-A179 PolarHBondContact NE-O 3.49Å; R132-A179 PolarHBondContact O-N 2.99Å; L149-A179 HydrophobicContact CD2-CB 4.16Å; V161-A179 HydrophobicContact CG1-CB 4.22Å; A179-E181 VanDerWaalsContact C-N 3.31Å; A179-E181 VanDerWaalsContact CB-O 3.31Å; A179-E181 WeakPolarHBondContact CB-O 3.46Å; A179-L183 HydrophobicContact CB-CD1 4.44Å; A179-L183 HydrophobicContact CB-CD2 3.79Å; A179-L183 HydrophobicContact CB-CG 4.13Å
180	A	97.2	Very high	96.6	Very high	37 Å²	37	47.6 Å²	47.6	31%	0.306	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	-31.3	177	0	0	0	0	0	112.3	R132 E162	R132-A180 PolarHBondContact NH1-O 2.9Å; R132-A180 VanDerWaalsContact NH1-O 3.1Å; E162-A180 HydrophobicContact CB-CB 3.78Å; E162-A180 HydrophobicContact CG-CB 3.97Å; E162-A180 WeakPolarHBondContact O-CB 3.39Å; E162-A180 PolarHBondContact O-N 2.85Å
181	E	96	Very high	96.7	Very high	74 Å²	74	43 Å²	43	35%	0.346	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	160.8	174.2	61.6	-179.1	-162.8	0	0	111.7	R159 V161 A179	R159-E181 IonicContact CZ-OE1 2.96Å; R159-E181 IonicContact NH1-OE1 3.5Å; R159-E181 PolarHBondContact NH1-OE1 3.04Å; R159-E181 IonicContact NH1-OE2 3.62Å; R159-E181 IonicContact NH2-OE1 3.27Å; R159-E181 PolarHBondContact NH2-OE1 2.88Å; V161-E181 HydrophobicContact CG1-CG 4Å; A179-E181 VanDerWaalsContact C-N 3.31Å; A179-E181 VanDerWaalsContact CB-O 3.31Å; A179-E181 WeakPolarHBondContact CB-O 3.46Å
182	E	97.3	Very high	96.9	Very high	131 Å²	131	38.9 Å²	38.9	61%	0.612	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	130.3	170.3	-174.3	172.8	-113.8	0	0	109.4	P130 P184	P130-E182 HydrophobicContact CB-CG 4.12Å; E182-P184 WeakPolarHBondContact O-CD 3.26Å
183	L	97.4	Very high	96.9	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	110.4	177.3	-49.6	179.7	0	0	0	108.2	P130 T131 L134 L149 V161 A179 Y192	P130-L183 CarbonylContact C-O 3.56Å; P130-L183 WeakPolarHBondContact CA-O 3.48Å; T131-L183 HydrophobicContact CG2-CB 4.4Å; T131-L183 HydrophobicContact CG2-CD1 4.39Å; T131-L183 PolarHBondContact N-O 3.13Å; T131-L183 WeakPolarHBondContact O-CA 3.36Å; T131-L183 WeakPolarHBondContact O-CB 3.44Å; T131-L183 VanDerWaalsContact O-CG 3.27Å; T131-L183 WeakPolarHBondContact O-CG 3.2Å; T131-L183 PolarHBondContact O-N 3.03Å; L134-L183 HydrophobicContact CD1-CD1 3.94Å; L134-L183 HydrophobicContact CD2-CD1 4.15Å; L134-L183 HydrophobicContact CG-CD1 3.88Å; L149-L183 HydrophobicContact CD2-CD1 3.99Å; L149-L183 HydrophobicContact CD2-CD2 3.91Å; V161-L183 HydrophobicContact CG1-CD2 3.82Å; A179-L183 HydrophobicContact CB-CD1 4.44Å; A179-L183 HydrophobicContact CB-CD2 3.79Å; A179-L183 HydrophobicContact CB-CG 4.13Å; L183-Y192 HydrophobicContact CB-CE1 4.25Å; L183-Y192 HydrophobicContact CB-CE2 4.08Å; L183-Y192 HydrophobicContact CD2-CD1 4.4Å; L183-Y192 HydrophobicContact CD2-CE1 3.79Å; L183-Y192 HydrophobicContact CG-CE1 4.42Å
184	P	97.1	Very high	97	Very high	68 Å²	68	35.5 Å²	35.5	44%	0.442	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-62.5	165.5	172.6	25.9	-36.6	0	0	0	112.1	E182 Y192	E182-P184 WeakPolarHBondContact O-CD 3.26Å; P184-Y192 WeakPolarHBondContact CD-OH 3.29Å; P184-Y192 PolarHBondContact O-OH 3.07Å
185	A	97.4	Very high	97	Very high	41 Å²	41	35.8 Å²	35.8	34%	0.339	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-61	140.2	168.2	0	0	0	0	0	110.2	V127	V127-A185 CarbonylContact O-C 3.49Å; V127-A185 WeakPolarHBondContact O-CA 3.19Å; V127-A185 WeakPolarHBondContact O-CB 3.39Å
186	T	96.9	Very high	97	Very high	27 Å²	27	35.8 Å²	35.8	17%	0.166	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-72.7	131.8	-179.1	48.4	0	0	0	0	111.1	V127 Q190 Y192	V127-T186 HydrophobicContact CB-CG2 4.33Å; V127-T186 PolarHBondContact N-OG1 3.11Å; V127-T186 VanDerWaalsContact N-OG1 3.13Å; V127-T186 PolarHBondContact O-N 3.46Å; V127-T186 PolarHBondContact O-OG1 3.22Å; T186-Q190 WeakPolarHBondContact CB-O 3.36Å; T186-Y192 HydrophobicContact CG2-CD2 3.66Å; T186-Y192 HydrophobicContact CG2-CE2 3.64Å
187	D	95.3	Very high	97	Very high	112 Å²	112	37.2 Å²	37.2	60%	0.599	23%	0.226	S	C	*	.	P	Polyproline II helix	trans	-69.2	160.5	168.5	-74.8	-41.2	0	0	0	111.4	G189 Q190	D187-G189 PolarHBondContact O-N 3.46Å; D187-G189 VanDerWaalsContact O-N 3.16Å; D187-Q190 HydrophobicContact CB-CB 4.33Å; D187-Q190 VanDerWaalsContact O-CB 3.26Å; D187-Q190 WeakPolarHBondContact O-CB 3.06Å; D187-Q190 PolarHBondContact O-N 3.45Å
188	P	92.3	Very high	97	Very high	126 Å²	126	37.1 Å²	37.1	82%	0.818	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	122.4	177.1	-27.8	35.7	0	0	0	113.2	Q190	P188-Q190 VanDerWaalsContact C-N 3.28Å; P188-Q190 PolarHBondContact O-N 2.78Å
189	G	89.7	Confident	97	Very high	49 Å²	49	39.7 Å²	39.7	51%	0.505	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	-3.4	-178.1	0	0	0	0	0	115	S154 D187	S154-G189 WeakPolarHBondContact CA-O 3.43Å; D187-G189 PolarHBondContact O-N 3.46Å; D187-G189 VanDerWaalsContact O-N 3.16Å
190	Q	96.3	Very high	96.9	Very high	38 Å²	38	39.8 Å²	39.8	18%	0.178	24%	0.239	C	C	.	.			trans	-87.7	142.5	169.7	-172.6	-177.7	44.5	0	0	110.1	V151 Q152 T186 D187 P188	V151-Q190 HydrophobicContact CG2-CG 3.81Å; Q152-Q190 WeakPolarHBondContact O-CA 3.05Å; Q152-Q190 VanDerWaalsContact O-CG 3.3Å; Q152-Q190 WeakPolarHBondContact O-CG 3.25Å; T186-Q190 WeakPolarHBondContact CB-O 3.36Å; D187-Q190 HydrophobicContact CB-CB 4.33Å; D187-Q190 VanDerWaalsContact O-CB 3.26Å; D187-Q190 WeakPolarHBondContact O-CB 3.06Å; D187-Q190 PolarHBondContact O-N 3.45Å; P188-Q190 VanDerWaalsContact C-N 3.28Å; P188-Q190 PolarHBondContact O-N 2.78Å
191	V	97.8	Very high	96.9	Very high	16 Å²	16	41.6 Å²	41.6	10%	0.097	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	155.4	174.7	-64.7	0	0	0	0	111	H124 E126 Q152 V193	H124-V191 HydrophobicContact CB-CG2 4.36Å; E126-V191 HydrophobicContact CG-CG1 4.19Å; Q152-V191 HydrophobicContact CB-CG2 4.03Å; Q152-V191 PolarHBondContact N-O 3.06Å; Q152-V191 PolarHBondContact O-N 3.09Å; V191-V193 HydrophobicContact CG2-CG2 4.3Å
192	Y	98.5	Very high	96.9	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.008	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	140.8	159.7	-69.9	-78.3	0	0	0	109.7	H124 V125 V127 L149 K150 V151 V161 L183 P184 T186	H124-Y192 CarbonylContact C-O 3.55Å; H124-Y192 WeakPolarHBondContact CA-O 3.33Å; V125-Y192 PolarHBondContact N-O 3.05Å; V125-Y192 PolarHBondContact O-N 2.83Å; V127-Y192 HydrophobicContact CB-CD2 4.32Å; V127-Y192 HydrophobicContact CB-CE2 4.27Å; V127-Y192 HydrophobicContact CG2-CD2 3.78Å; V127-Y192 HydrophobicContact CG2-CE2 4.13Å; L149-Y192 HydrophobicContact CD1-CD1 4.38Å; K150-Y192 CarbonylContact O-C 3.59Å; K150-Y192 VanDerWaalsContact O-CA 3.26Å; K150-Y192 WeakPolarHBondContact O-CA 3.25Å; V151-Y192 HydrophobicContact CB-CD1 3.99Å; V151-Y192 HydrophobicContact CB-CE1 3.8Å; V151-Y192 HydrophobicContact CG2-CD1 4.36Å; V151-Y192 HydrophobicContact CG2-CE1 4.05Å; V161-Y192 HydrophobicContact CG2-CE1 4.41Å; L183-Y192 HydrophobicContact CB-CE1 4.25Å; L183-Y192 HydrophobicContact CB-CE2 4.08Å; L183-Y192 HydrophobicContact CD2-CD1 4.4Å; L183-Y192 HydrophobicContact CD2-CE1 3.79Å; L183-Y192 HydrophobicContact CG-CE1 4.42Å; P184-Y192 WeakPolarHBondContact CD-OH 3.29Å; P184-Y192 PolarHBondContact O-OH 3.07Å; T186-Y192 HydrophobicContact CG2-CD2 3.66Å; T186-Y192 HydrophobicContact CG2-CE2 3.64Å
193	V	98.5	Very high	96.5	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.024	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	108.3	173.4	-174.1	0	0	0	0	108	D122 I123 L149 K150 Q152 V191	D122-V193 HydrophobicContact CB-CG1 4Å; I123-V193 WeakPolarHBondContact O-CA 3.39Å; L149-V193 WeakPolarHBondContact CA-O 3.46Å; K150-V193 HydrophobicContact CB-CB 4.4Å; K150-V193 PolarHBondContact N-O 3.12Å; K150-V193 PolarHBondContact O-N 3.16Å; Q152-V193 HydrophobicContact CB-CG2 4.23Å; V191-V193 HydrophobicContact CG2-CG2 4.3Å
194	L	98.8	Very high	95.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	113.2	175.8	174.5	62.5	0	0	0	109.2	I123 L136 P147 L149 V177 L196	I123-L194 PolarHBondContact N-O 2.97Å; I123-L194 PolarHBondContact O-N 3.05Å; L136-L194 HydrophobicContact CD1-CD2 4.47Å; L136-L194 HydrophobicContact CD2-CD2 3.96Å; P147-L194 HydrophobicContact CB-CD1 4.46Å; L149-L194 HydrophobicContact CD1-CB 4.28Å; V177-L194 HydrophobicContact CG1-CD1 4.4Å; V177-L194 HydrophobicContact CG2-CD1 4.27Å; L194-L196 HydrophobicContact CD1-CD2 4.37Å; L194-L196 HydrophobicContact CD2-CD1 4.31Å; L194-L196 HydrophobicContact CG-CD1 4.42Å; L194-L196 HydrophobicContact CG-CG 4.26Å
195	S	98.8	Very high	95.1	Very high	7 Å²	7	35 Å²	35	5%	0.049	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.2	177.4	-52.7	0	0	0	0	111.4	V121 D122 R148	V121-S195 CarbonylContact O-C 3.6Å; V121-S195 VanDerWaalsContact O-CA 3.31Å; V121-S195 WeakPolarHBondContact O-CA 3.24Å; D122-S195 WeakPolarHBondContact OD1-CA 3.38Å; D122-S195 WeakPolarHBondContact OD1-CB 3.36Å; D122-S195 PolarHBondContact OD1-OG 2.75Å; R148-S195 PolarHBondContact N-O 3.29Å; R148-S195 PolarHBondContact O-N 2.96Å
196	L	98.8	Very high	94.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	125.7	177.1	-60.9	168.7	0	0	0	110.2	T120 V121 L136 V143 P147 L194 P238	T120-L196 CarbonylContact C-O 3.49Å; T120-L196 WeakPolarHBondContact CA-O 3.31Å; V121-L196 HydrophobicContact CG1-CB 3.94Å; V121-L196 PolarHBondContact N-O 3.09Å; V121-L196 PolarHBondContact O-N 3.04Å; L136-L196 HydrophobicContact CD1-CD1 4.02Å; L136-L196 HydrophobicContact CD2-CD1 4.24Å; V143-L196 HydrophobicContact CG1-CD2 4.4Å; V143-L196 HydrophobicContact CG2-CD2 4.28Å; P147-L196 HydrophobicContact CB-CD2 3.66Å; P147-L196 HydrophobicContact CG-CD2 3.66Å; L194-L196 HydrophobicContact CD1-CD2 4.37Å; L194-L196 HydrophobicContact CD2-CD1 4.31Å; L194-L196 HydrophobicContact CG-CD1 4.42Å; L194-L196 HydrophobicContact CG-CG 4.26Å; L196-P238 HydrophobicContact CB-CG 4.4Å; L196-P238 HydrophobicContact CD1-CB 3.56Å; L196-P238 HydrophobicContact CD1-CG 4Å
197	D	98.8	Very high	94.6	Very high	31 Å²	31	34.1 Å²	34.1	17%	0.166	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	135.8	164.3	-46.8	-88.4	0	0	0	108.1	G119 T120 V143 S144 A145 R148	G119-D197 WeakPolarHBondContact O-CA 3.26Å; T120-D197 HydrophobicContact CG2-CB 4.44Å; T120-D197 WeakPolarHBondContact CG2-OD1 3.2Å; V143-D197 CarbonylContact C-O 3.46Å; V143-D197 WeakPolarHBondContact CA-O 3.37Å; S144-D197 PolarHBondContact N-O 2.71Å; S144-D197 VanDerWaalsContact OG-C 3.26Å; S144-D197 PolarHBondContact OG-O 3.24Å; A145-D197 HydrophobicContact CB-CB 3.99Å; R148-D197 IonicContact CZ-OD2 2.98Å; R148-D197 IonicContact NH1-OD2 2.76Å; R148-D197 PolarHBondContact NH1-OD2 3.38Å; R148-D197 IonicContact NH2-OD1 3.71Å; R148-D197 PolarHBondContact NH2-OD1 3.29Å; R148-D197 IonicContact NH2-OD2 3.46Å; R148-D197 PolarHBondContact NH2-OD2 3.38Å
198	F	98.6	Very high	94.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	160.8	-175.9	58.2	-88.6	0	0	0	112.3	L106 L108 Y117 T118 G119 V121 T141 F142 S144 S236 F237 P238	L106-F198 HydrophobicContact CD1-CE1 4.25Å; L106-F198 HydrophobicContact CD1-CZ 3.81Å; L108-F198 HydrophobicContact CD2-CE2 3.98Å; L108-F198 HydrophobicContact CD2-CZ 4.09Å; Y117-F198 HydrophobicContact CD2-CE2 4.43Å; Y117-F198 HydrophobicContact CE2-CD2 4.14Å; Y117-F198 AromaticContact CE2-CE2 3.86Å; Y117-F198 HydrophobicContact CE2-CE2 3.86Å; T118-F198 WeakPolarHBondContact CA-O 3.38Å; G119-F198 VanDerWaalsContact C-CE1 3.44Å; G119-F198 PolarHBondContact N-O 3.44Å; G119-F198 WeakPolarHBondContact O-CD1 3.12Å; G119-F198 PolarHBondContact O-N 2.91Å; V121-F198 HydrophobicContact CB-CE1 4Å; V121-F198 HydrophobicContact CG1-CD1 4.26Å; V121-F198 HydrophobicContact CG1-CE1 3.92Å; T141-F198 HydrophobicContact CG2-CB 3.97Å; T141-F198 HydrophobicContact CG2-CD2 3.86Å; T141-F198 HydrophobicContact CG2-CG 4.28Å; F142-F198 VanDerWaalsContact O-CA 3.23Å; F142-F198 WeakPolarHBondContact O-CA 3.03Å; F142-F198 WeakPolarHBondContact O-CB 3.5Å; S144-F198 PolarHBondContact OG-N 2.98Å; F198-S236 WeakPolarHBondContact CE2-O 3.31Å; F198-F237 HydrophobicContact CE1-CB 4.04Å; F198-F237 HydrophobicContact CE2-CB 3.84Å; F198-F237 HydrophobicContact CZ-CB 3.54Å; F198-P238 HydrophobicContact CB-CG 4.27Å; F198-P238 HydrophobicContact CD1-CG 4.17Å; F198-P238 HydrophobicContact CG-CG 4.33Å
199	Q	98.1	Very high	94.9	Very high	68 Å²	68	22.8 Å²	22.8	32%	0.318	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	139.5	176.5	-176.4	179.8	-6.3	0	0	110.3	Y117 T118 F142	Y117-Q199 WeakPolarHBondContact O-CA 3.35Å; Y117-Q199 WeakPolarHBondContact O-CG 3.21Å; T118-Q199 HydrophobicContact CG2-CB 4.32Å; T118-Q199 HydrophobicContact CG2-CG 4.09Å; F142-Q199 VanDerWaalsContact CD1-O 3.31Å; F142-Q199 WeakPolarHBondContact CD1-O 3.47Å; F142-Q199 HydrophobicContact CE1-CB 3.92Å; F142-Q199 HydrophobicContact CE1-CG 4.21Å; F142-Q199 HydrophobicContact CE2-CB 4.34Å; F142-Q199 HydrophobicContact CZ-CB 3.76Å; F142-Q199 HydrophobicContact CZ-CG 4.18Å; F142-Q199 PolarHBondContact N-O 2.87Å; F142-Q199 VanDerWaalsContact N-O 3.12Å; F142-Q199 PolarHBondContact O-N 3.21Å
200	G	96.4	Very high	95.3	Very high	4 Å²	4	20.6 Å²	20.6	4%	0.041	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	177.3	177.8	0	0	0	0	0	113.2	T116 Y117	T116-G200 WeakPolarHBondContact CA-O 3.17Å; Y117-G200 VanDerWaalsContact CE1-C 3.45Å; Y117-G200 VanDerWaalsContact CE1-CA 3.44Å; Y117-G200 PolarHBondContact N-O 3.39Å; Y117-G200 PolarHBondContact O-N 2.72Å
201	L	96	Very high	95.3	Very high	74 Å²	74	21.4 Å²	21.4	39%	0.387	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	146.5	176.9	-62.2	178.1	0	0	0	110.3	T116	T116-L201 HydrophobicContact CG2-CD2 3.75Å
202	L	96.3	Very high	95.1	Very high	1 Å²	1	21 Å²	21	1%	0.005	13%	0.126	C	C	.	.	S	Bend	trans	-97	-3.7	177	-63.2	174.9	0	0	0	113	P110 L112 D115 Y117 F209 R211	P110-L202 HydrophobicContact CB-CD1 4.27Å; L112-L202 HydrophobicContact CD2-CD1 3.8Å; D115-L202 PolarHBondContact O-N 3.33Å; Y117-L202 HydrophobicContact CD1-CD2 3.65Å; Y117-L202 HydrophobicContact CD1-CG 4.04Å; Y117-L202 HydrophobicContact CE1-CD2 4.25Å; Y117-L202 HydrophobicContact CG-CD2 4.39Å; L202-F209 HydrophobicContact CD2-CB 4.48Å; L202-F209 HydrophobicContact CD2-CD1 3.61Å; L202-F209 HydrophobicContact CD2-CD2 4.19Å; L202-F209 HydrophobicContact CD2-CE1 3.83Å; L202-F209 HydrophobicContact CD2-CE2 4.38Å; L202-F209 HydrophobicContact CD2-CG 3.8Å; L202-F209 HydrophobicContact CD2-CZ 4.21Å; L202-R211 HydrophobicContact CB-CB 3.82Å; L202-R211 PolarHBondContact O-N 2.92Å
203	T	89.9	Confident	94.8	Very high	59 Å²	59	24.2 Å²	24.2	36%	0.362	15%	0.145	S	C	.	.	S	Bend	trans	-104.6	162.8	-176.1	41.2	0	0	0	0	113.2	D115 S205	D115-T203 HydrophobicContact CB-CG2 3.63Å; T203-S205 VanDerWaalsContact C-N 3.32Å; T203-S205 PolarHBondContact O-N 2.91Å
204	G	79.3	Confident	94.4	Very high	54 Å²	54	24.4 Å²	24.4	56%	0.557	15%	0.146	S	C	*	.	S	Bend	trans	79.1	7.7	168.3	0	0	0	0	0	115.3	R893	G204-R893 VanDerWaalsContact C-NH1 3.33Å; G204-R893 PolarHBondContact O-NH1 3.28Å
205	S	85	Confident	93.9	Very high	23 Å²	23	28.7 Å²	28.7	16%	0.161	17%	0.172	C	C	.	.			trans	-152.6	156.7	-176.8	-176.6	0	0	0	0	111.2	T203 V207 Y210 K235	T203-S205 VanDerWaalsContact C-N 3.32Å; T203-S205 PolarHBondContact O-N 2.91Å; S205-V207 WeakPolarHBondContact OG-CG2 3.48Å; S205-V207 PolarHBondContact OG-N 3.33Å; S205-V207 PolarHBondContact OG-O 3.37Å; S205-Y210 WeakPolarHBondContact O-CB 3.34Å; S205-Y210 WeakPolarHBondContact O-CD2 3.38Å; S205-K235 PolarHBondContact OG-NZ 2.83Å
206	V	88.3	Confident	93.3	Very high	17 Å²	17	28.9 Å²	28.9	10%	0.103	17%	0.172	C	C	.	.	S	Bend	trans	-112.3	12.5	171.9	-64.2	0	0	0	0	112.2	Y210	V206-Y210 HydrophobicContact CB-CE2 4.38Å; V206-Y210 WeakPolarHBondContact O-CE1 3.48Å
207	V	94.7	Very high	92.6	Very high	31 Å²	31	37.2 Å²	37.2	19%	0.188	21%	0.211	C	C	.	.	S	Bend	trans	-130.6	164.7	178	-60.5	0	0	0	0	111.3	S205 D232 K235	S205-V207 WeakPolarHBondContact OG-CG2 3.48Å; S205-V207 PolarHBondContact OG-N 3.33Å; S205-V207 PolarHBondContact OG-O 3.37Å; V207-D232 HydrophobicContact CB-CB 4Å; V207-D232 WeakPolarHBondContact CB-OD2 3.47Å; V207-D232 HydrophobicContact CG2-CB 4.35Å; V207-K235 HydrophobicContact CG2-CD 4.31Å; V207-K235 PolarHBondContact O-NZ 3.43Å
208	G	97.2	Very high	92	Very high	0 Å²	0	39 Å²	39	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.6	-141.2	-170	0	0	0	0	0	110.3	T226 D227 S236	G208-T226 WeakPolarHBondContact O-CA 3.49Å; G208-D227 PolarHBondContact N-O 3.15Å; G208-D227 PolarHBondContact O-N 3.03Å; G208-D227 VanDerWaalsContact O-N 3.15Å; G208-S236 WeakPolarHBondContact CA-OG 3.35Å
209	F	98.3	Very high	91.7	Very high	1 Å²	1	43 Å²	43	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	116.3	174.2	-174.5	-149.9	0	0	0	108.7	P110 Y117 L202 A224 A225 T226 S236 F296	P110-F209 HydrophobicContact CB-CE1 3.84Å; P110-F209 HydrophobicContact CB-CZ 3.83Å; P110-F209 HydrophobicContact CG-CE1 4.28Å; P110-F209 HydrophobicContact CG-CZ 4.02Å; Y117-F209 AromaticContact CD1-CD1 3.73Å; Y117-F209 HydrophobicContact CD1-CD1 3.73Å; Y117-F209 HydrophobicContact CD1-CE1 4.35Å; Y117-F209 AromaticContact CD2-CD1 3.79Å; Y117-F209 HydrophobicContact CD2-CD1 3.79Å; Y117-F209 HydrophobicContact CD2-CE1 4.23Å; Y117-F209 HydrophobicContact CE1-CB 4.22Å; Y117-F209 AromaticContact CE1-CD1 3.96Å; Y117-F209 HydrophobicContact CE1-CD1 3.96Å; Y117-F209 AromaticContact CE2-CD1 4Å; Y117-F209 HydrophobicContact CE2-CD1 4Å; Y117-F209 AromaticContact CG-CD1 3.64Å; Y117-F209 HydrophobicContact CG-CD1 3.64Å; Y117-F209 AromaticContact CG-CE1 3.96Å; Y117-F209 HydrophobicContact CG-CE1 3.96Å; L202-F209 HydrophobicContact CD2-CB 4.48Å; L202-F209 HydrophobicContact CD2-CD1 3.61Å; L202-F209 HydrophobicContact CD2-CD2 4.19Å; L202-F209 HydrophobicContact CD2-CE1 3.83Å; L202-F209 HydrophobicContact CD2-CE2 4.38Å; L202-F209 HydrophobicContact CD2-CG 3.8Å; L202-F209 HydrophobicContact CD2-CZ 4.21Å; F209-A224 HydrophobicContact CD2-CB 4.45Å; F209-A224 HydrophobicContact CE2-CB 3.59Å; F209-A224 HydrophobicContact CZ-CB 3.91Å; F209-A225 WeakPolarHBondContact CD2-O 3.43Å; F209-T226 HydrophobicContact CB-CG2 4.05Å; F209-T226 HydrophobicContact CD2-CG2 3.8Å; F209-T226 HydrophobicContact CG-CG2 4.25Å; F209-S236 WeakPolarHBondContact CB-OG 3.21Å; F209-S236 PolarHBondContact N-OG 3.37Å; F209-F296 HydrophobicContact CB-CE2 4.25Å; F209-F296 HydrophobicContact CD1-CE2 4.01Å; F209-F296 HydrophobicContact CD2-CD2 4.08Å; F209-F296 AromaticContact CD2-CE2 3.66Å; F209-F296 HydrophobicContact CD2-CE2 3.66Å; F209-F296 HydrophobicContact CE1-CE2 4.21Å; F209-F296 AromaticContact CE2-CD2 3.93Å; F209-F296 HydrophobicContact CE2-CD2 3.93Å; F209-F296 AromaticContact CE2-CE2 3.89Å; F209-F296 HydrophobicContact CE2-CE2 3.89Å; F209-F296 AromaticContact CG-CE2 3.74Å; F209-F296 HydrophobicContact CG-CE2 3.74Å; F209-F296 HydrophobicContact CZ-CD2 4.27Å; F209-F296 HydrophobicContact CZ-CE2 4.16Å
210	Y	97.1	Very high	91.4	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.008	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	160.7	-169.4	73.6	-78.4	0	0	0	111.8	S205 V206 V212 A224 A225 D227 D360 F361	S205-Y210 WeakPolarHBondContact O-CB 3.34Å; S205-Y210 WeakPolarHBondContact O-CD2 3.38Å; V206-Y210 HydrophobicContact CB-CE2 4.38Å; V206-Y210 WeakPolarHBondContact O-CE1 3.48Å; Y210-V212 HydrophobicContact CD2-CG2 3.94Å; Y210-V212 HydrophobicContact CE2-CG2 3.36Å; Y210-A224 CarbonylContact O-C 3.55Å; Y210-A224 WeakPolarHBondContact O-CA 3.45Å; Y210-A225 VanDerWaalsContact CD1-O 3.24Å; Y210-A225 WeakPolarHBondContact CD1-O 3.09Å; Y210-A225 PolarHBondContact N-O 2.8Å; Y210-A225 PolarHBondContact O-N 2.87Å; Y210-D227 HydrophobicContact CE1-CB 4.27Å; Y210-D360 PolarHBondContact OH-O 2.91Å; Y210-D360 VanDerWaalsContact OH-O 3.04Å; Y210-F361 WeakPolarHBondContact OH-CD2 3.45Å
211	R	95.6	Very high	91.3	Very high	55 Å²	55	46.8 Å²	46.8	21%	0.208	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	140.3	176.7	167.8	-169.3	67.5	127.7	-17.2	110.1	D115 L202 K222 I223	D115-R211 VanDerWaalsContact CG-CZ 3.41Å; D115-R211 VanDerWaalsContact CG-NE 3.34Å; D115-R211 WeakPolarHBondContact OD1-CD 3.3Å; D115-R211 IonicContact OD1-CZ 3.44Å; D115-R211 IonicContact OD1-NE 3.43Å; D115-R211 PolarHBondContact OD1-NE 2.04Å; D115-R211 IonicContact OD1-NH1 3.73Å; D115-R211 IonicContact OD1-NH2 2.6Å; D115-R211 IonicContact OD2-CZ 3.39Å; D115-R211 IonicContact OD2-NE 3.89Å; D115-R211 PolarHBondContact OD2-NE 3.33Å; D115-R211 IonicContact OD2-NH1 3.86Å; D115-R211 IonicContact OD2-NH2 2.87Å; D115-R211 PolarHBondContact OD2-NH2 2.74Å; L202-R211 HydrophobicContact CB-CB 3.82Å; L202-R211 PolarHBondContact O-N 2.92Å; R211-K222 HydrophobicContact CG-CB 4.34Å; R211-K222 HydrophobicContact CG-CD 4.45Å; R211-K222 HydrophobicContact CG-CG 4.37Å; R211-K222 VanDerWaalsContact NH1-CE 3.26Å; R211-I223 CarbonylContact C-O 3.57Å; R211-I223 VanDerWaalsContact CA-O 3.3Å; R211-I223 WeakPolarHBondContact CA-O 3.43Å
212	V	93.7	Very high	91.3	Very high	8 Å²	8	45.4 Å²	45.4	5%	0.048	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	141.7	164.4	179.9	0	0	0	0	110.3	Y210 K222 I223 I358 P359 D360	Y210-V212 HydrophobicContact CD2-CG2 3.94Å; Y210-V212 HydrophobicContact CE2-CG2 3.36Å; V212-K222 WeakPolarHBondContact O-CA 3.05Å; V212-I223 HydrophobicContact CB-CG2 3.74Å; V212-I223 HydrophobicContact CG1-CG2 4.41Å; V212-I223 PolarHBondContact N-O 3.14Å; V212-I223 PolarHBondContact O-N 3.15Å; V212-I358 HydrophobicContact CG2-CG2 3.9Å; V212-P359 HydrophobicContact CG1-CB 3.89Å; V212-P359 HydrophobicContact CG1-CG 4.29Å; V212-D360 HydrophobicContact CB-CB 4.46Å; V212-D360 HydrophobicContact CG1-CB 3.65Å; V212-D360 HydrophobicContact CG2-CB 4Å; V212-D360 WeakPolarHBondContact CG2-O 3.42Å
213	V	92	Very high	91.3	Very high	69 Å²	69	45.3 Å²	45.3	42%	0.418	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	135.5	171.9	-177.1	0	0	0	0	109.2	T220 K221 K222	V213-T220 HydrophobicContact CG1-CG2 3.39Å; V213-K221 WeakPolarHBondContact CA-O 3.24Å; V213-K222 HydrophobicContact CG2-CG 4.42Å
214	Y	90.6	Very high	91.7	Very high	9 Å²	9	42.5 Å²	42.5	4%	0.035	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	158.5	175.7	64.8	-81.9	0	0	0	110.3	E216 K221 I223 F301 Q319 P359	Y214-E216 HydrophobicContact CD2-CB 4.35Å; Y214-E216 HydrophobicContact CE2-CB 4.15Å; Y214-K221 HydrophobicContact CD1-CB 4.36Å; Y214-K221 HydrophobicContact CD2-CB 4.3Å; Y214-K221 HydrophobicContact CE1-CB 3.78Å; Y214-K221 HydrophobicContact CE2-CB 3.73Å; Y214-K221 HydrophobicContact CE2-CD 3.99Å; Y214-K221 HydrophobicContact CE2-CG 4.42Å; Y214-K221 VanDerWaalsContact CZ-CB 3.42Å; Y214-K221 PolarHBondContact N-O 2.8Å; Y214-K221 PolarHBondContact O-N 3.44Å; Y214-I223 HydrophobicContact CD1-CG2 4.14Å; Y214-I223 HydrophobicContact CE1-CB 4.17Å; Y214-I223 HydrophobicContact CE1-CG2 4.02Å; Y214-F301 HydrophobicContact CE1-CE1 4.03Å; Y214-F301 HydrophobicContact CE2-CE1 4.09Å; Y214-F301 AromaticContact CZ-CE1 3.61Å; Y214-F301 WeakPolarHBondContact OH-CE1 3.39Å; Y214-Q319 HydrophobicContact CD2-CG 4.27Å; Y214-Q319 HydrophobicContact CE2-CG 4.14Å; Y214-P359 HydrophobicContact CD1-CG 4.16Å; Y214-P359 HydrophobicContact CG-CG 4.1Å
215	T	88.2	Confident	92.6	Very high	90 Å²	90	40 Å²	40	55%	0.552	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108.5	124.5	176.7	-58.6	0	0	0	0	108.9	V219	T215-V219 WeakPolarHBondContact CA-O 3.34Å
216	E	86.1	Confident	93.3	Very high	10 Å²	10	39 Å²	39	5%	0.047	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	121.5	174	178.6	168.6	-121.4	0	0	108.9	Y214 G218 V219 K221 P320 S321	Y214-E216 HydrophobicContact CD2-CB 4.35Å; Y214-E216 HydrophobicContact CE2-CB 4.15Å; E216-G218 PolarHBondContact O-N 3.4Å; E216-G218 VanDerWaalsContact O-N 3.13Å; E216-V219 PolarHBondContact N-O 3.33Å; E216-V219 WeakPolarHBondContact O-CB 3.31Å; E216-V219 PolarHBondContact O-N 2.83Å; E216-K221 HydrophobicContact CB-CD 4.31Å; E216-K221 IonicContact OE2-NZ 2.71Å; E216-K221 PolarHBondContact OE2-NZ 2.52Å; E216-P320 WeakPolarHBondContact OE1-CD 3.46Å; E216-P320 VanDerWaalsContact OE1-N 3.14Å; E216-S321 WeakPolarHBondContact OE1-CB 3.41Å; E216-S321 PolarHBondContact OE1-N 3.46Å; E216-S321 PolarHBondContact OE1-OG 2.99Å
217	E	85.5	Confident	93.7	Very high	176 Å²	176	38.3 Å²	38.3	82%	0.822	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	36.5	-179.3	-59.1	-175.8	168.4	0	0	113.6	V219	E217-V219 VanDerWaalsContact C-N 3.28Å; E217-V219 PolarHBondContact O-N 3.37Å
218	G	85.6	Confident	93.9	Very high	69 Å²	69	36.8 Å²	36.8	71%	0.711	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.1	1.5	-178.2	0	0	0	0	0	114.9	E216	E216-G218 PolarHBondContact O-N 3.4Å; E216-G218 VanDerWaalsContact O-N 3.13Å
219	V	91.1	Very high	94	Very high	84 Å²	84	37.7 Å²	37.7	51%	0.509	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.3	176.8	-176.4	0	0	0	0	110.2	T215 E216 E217 K221	T215-V219 WeakPolarHBondContact CA-O 3.34Å; E216-V219 PolarHBondContact N-O 3.33Å; E216-V219 WeakPolarHBondContact O-CB 3.31Å; E216-V219 PolarHBondContact O-N 2.83Å; E217-V219 VanDerWaalsContact C-N 3.28Å; E217-V219 PolarHBondContact O-N 3.37Å; V219-K221 HydrophobicContact CG1-CG 4.35Å; V219-K221 PolarHBondContact O-N 3.28Å
220	T	91.9	Very high	93.9	Very high	99 Å²	99	37.8 Å²	37.8	61%	0.607	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	121.7	171.8	-53.2	0	0	0	0	110.2	V213	V213-T220 HydrophobicContact CG1-CG2 3.39Å
221	K	94.6	Very high	94	Very high	51 Å²	51	38 Å²	38	22%	0.222	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	164.5	177.2	-68.2	-176.7	177	-178.3	0	110.7	V213 Y214 E216 V219	V213-K221 WeakPolarHBondContact CA-O 3.24Å; Y214-K221 HydrophobicContact CD1-CB 4.36Å; Y214-K221 HydrophobicContact CD2-CB 4.3Å; Y214-K221 HydrophobicContact CE1-CB 3.78Å; Y214-K221 HydrophobicContact CE2-CB 3.73Å; Y214-K221 HydrophobicContact CE2-CD 3.99Å; Y214-K221 HydrophobicContact CE2-CG 4.42Å; Y214-K221 VanDerWaalsContact CZ-CB 3.42Å; Y214-K221 PolarHBondContact N-O 2.8Å; Y214-K221 PolarHBondContact O-N 3.44Å; E216-K221 HydrophobicContact CB-CD 4.31Å; E216-K221 IonicContact OE2-NZ 2.71Å; E216-K221 PolarHBondContact OE2-NZ 2.52Å; V219-K221 HydrophobicContact CG1-CG 4.35Å; V219-K221 PolarHBondContact O-N 3.28Å
222	K	95.8	Very high	94.1	Very high	45 Å²	45	36.1 Å²	36.1	20%	0.196	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	148.1	178.1	-66	179.1	173.2	-157.7	0	109.4	L112 D115 R211 V212 V213 Y259	L112-K222 HydrophobicContact CB-CD 4.26Å; L112-K222 WeakPolarHBondContact O-CD 3.32Å; L112-K222 WeakPolarHBondContact O-CE 3.27Å; L112-K222 PolarHBondContact O-NZ 2.79Å; D115-K222 IonicContact OD1-NZ 3.51Å; D115-K222 PolarHBondContact OD1-NZ 2.9Å; D115-K222 IonicContact OD2-NZ 3.48Å; R211-K222 HydrophobicContact CG-CB 4.34Å; R211-K222 HydrophobicContact CG-CD 4.45Å; R211-K222 HydrophobicContact CG-CG 4.37Å; R211-K222 VanDerWaalsContact NH1-CE 3.26Å; V212-K222 WeakPolarHBondContact O-CA 3.05Å; V213-K222 HydrophobicContact CG2-CG 4.42Å; K222-Y259 WeakPolarHBondContact O-CE1 3.45Å
223	I	97.4	Very high	94.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	144	163.7	177.2	174.1	0	0	0	106.2	R211 V212 Y214 V298 H299 F301 I356 I358	R211-I223 CarbonylContact C-O 3.57Å; R211-I223 VanDerWaalsContact CA-O 3.3Å; R211-I223 WeakPolarHBondContact CA-O 3.43Å; V212-I223 HydrophobicContact CB-CG2 3.74Å; V212-I223 HydrophobicContact CG1-CG2 4.41Å; V212-I223 PolarHBondContact N-O 3.14Å; V212-I223 PolarHBondContact O-N 3.15Å; Y214-I223 HydrophobicContact CD1-CG2 4.14Å; Y214-I223 HydrophobicContact CE1-CB 4.17Å; Y214-I223 HydrophobicContact CE1-CG2 4.02Å; I223-V298 WeakPolarHBondContact CA-O 3.45Å; I223-V298 WeakPolarHBondContact CG1-O 3.48Å; I223-H299 HydrophobicContact CD1-CB 3.72Å; I223-H299 HydrophobicContact CG1-CB 3.86Å; I223-F301 HydrophobicContact CD1-CE2 3.98Å; I223-F301 HydrophobicContact CD1-CZ 3.98Å; I223-I356 HydrophobicContact CD1-CD1 4.05Å; I223-I358 HydrophobicContact CD1-CD1 3.84Å
224	A	98.1	Very high	94.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	138.6	164.7	0	0	0	0	0	109.6	L112 F209 Y210 A297 V298	L112-A224 HydrophobicContact CD2-CB 3.62Å; F209-A224 HydrophobicContact CD2-CB 4.45Å; F209-A224 HydrophobicContact CE2-CB 3.59Å; F209-A224 HydrophobicContact CZ-CB 3.91Å; Y210-A224 CarbonylContact O-C 3.55Å; Y210-A224 WeakPolarHBondContact O-CA 3.45Å; A224-A297 CarbonylContact O-C 3.56Å; A224-A297 WeakPolarHBondContact O-CA 3.36Å; A224-V298 PolarHBondContact N-O 2.91Å; A224-V298 PolarHBondContact O-N 3.01Å
225	A	98.2	Very high	95	Very high	2 Å²	2	32.5 Å²	32.5	2%	0.017	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	169.5	-177	0	0	0	0	0	110.2	F209 Y210 F296 A297 I358	F209-A225 WeakPolarHBondContact CD2-O 3.43Å; Y210-A225 VanDerWaalsContact CD1-O 3.24Å; Y210-A225 WeakPolarHBondContact CD1-O 3.09Å; Y210-A225 PolarHBondContact N-O 2.8Å; Y210-A225 PolarHBondContact O-N 2.87Å; A225-F296 WeakPolarHBondContact CA-O 3.42Å; A225-A297 HydrophobicContact CB-CB 4.18Å; A225-I358 HydrophobicContact CB-CD1 3.84Å; A225-I358 HydrophobicContact CB-CG1 4.45Å
226	T	98.6	Very high	95.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	148.6	177.8	48.2	0	0	0	0	113.1	G208 F209 C295 F296	G208-T226 WeakPolarHBondContact O-CA 3.49Å; F209-T226 HydrophobicContact CB-CG2 4.05Å; F209-T226 HydrophobicContact CD2-CG2 3.8Å; F209-T226 HydrophobicContact CG-CG2 4.25Å; T226-C295 VanDerWaalsContact OG1-CA 3.3Å; T226-C295 WeakPolarHBondContact OG1-CA 3.24Å; T226-C295 PolarHBondContact OG1-SG 2.89Å; T226-F296 HydrophobicContact CG2-CD1 4.28Å; T226-F296 HydrophobicContact CG2-CD2 3.57Å; T226-F296 HydrophobicContact CG2-CE1 3.97Å; T226-F296 HydrophobicContact CG2-CE2 3.2Å; T226-F296 HydrophobicContact CG2-CG 4.1Å; T226-F296 HydrophobicContact CG2-CZ 3.43Å; T226-F296 VanDerWaalsContact CG2-CZ 3.43Å; T226-F296 PolarHBondContact N-O 3.21Å; T226-F296 PolarHBondContact OG1-N 3.4Å; T226-F296 PolarHBondContact OG1-O 3.18Å
227	D	98.3	Very high	96.1	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.016	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	123.3	166.2	-167.5	48.7	0	0	0	108.3	G208 Y210 F361	G208-D227 PolarHBondContact N-O 3.15Å; G208-D227 PolarHBondContact O-N 3.03Å; G208-D227 VanDerWaalsContact O-N 3.15Å; Y210-D227 HydrophobicContact CE1-CB 4.27Å; D227-F361 HydrophobicContact CB-CE2 4.05Å; D227-F361 WeakPolarHBondContact OD1-CZ 3.06Å
228	H	98.6	Very high	96.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.121	C	C	.	.			trans	-124.6	-20	-163.9	-68.6	162.9	0	0	0	115.3	P230 T231 D232 A233 S236 V294	H228-P230 CarbonylContact O-C 3.55Å; H228-P230 VanDerWaalsContact O-C 3.31Å; H228-T231 PolarHBondContact O-N 3.12Å; H228-D232 PolarHBondContact O-N 3.43Å; H228-A233 HydrophobicContact CB-CB 3.98Å; H228-S236 WeakPolarHBondContact NE2-CB 3.42Å; H228-S236 PolarHBondContact NE2-OG 2.93Å; H228-V294 PolarHBondContact CE1-O 2.71Å; H228-V294 PolarHBondContact ND1-O 2.85Å
229	E	98.3	Very high	97.4	Very high	18 Å²	18	16.1 Å²	16.1	8%	0.084	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	132.8	-175.4	-159.9	178.6	-145.7	0	0	111.7	Y292 M366 W416 F481	E229-Y292 HydrophobicContact CB-CD2 3.86Å; E229-Y292 HydrophobicContact CG-CD2 3.62Å; E229-Y292 HydrophobicContact CG-CE2 4.16Å; E229-Y292 HydrophobicContact CG-CG 4.22Å; E229-Y292 VanDerWaalsContact OE1-CE2 3.24Å; E229-Y292 WeakPolarHBondContact OE1-CE2 3.33Å; E229-M366 HydrophobicContact CB-CE 3.64Å; E229-M366 HydrophobicContact CB-SD 3.48Å; E229-M366 WeakPolarHBondContact CB-SD 3.33Å; E229-M366 HydrophobicContact CG-CE 4.26Å; E229-M366 HydrophobicContact CG-SD 4.43Å; E229-W416 HydrophobicContact CG-CH2 3.68Å; E229-W416 HydrophobicContact CG-CZ3 3.96Å; E229-W416 WeakPolarHBondContact OE1-CH2 3.25Å; E229-W416 VanDerWaalsContact OE1-CZ3 3.26Å; E229-W416 WeakPolarHBondContact OE1-CZ3 3.35Å; E229-F481 VanDerWaalsContact CD-CE1 3.48Å; E229-F481 HydrophobicContact CG-CE1 4.03Å; E229-F481 HydrophobicContact CG-CZ 3.72Å; E229-F481 WeakPolarHBondContact OE2-CE1 3.37Å
230	P	97.4	Very high	97.8	Very high	4 Å²	4	12.1 Å²	12.1	3%	0.026	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91.2	-29.4	1	31.6	-32.9	0	0	0	115.5	H228 W416 I477 F481	H228-P230 CarbonylContact O-C 3.55Å; H228-P230 VanDerWaalsContact O-C 3.31Å; P230-W416 HydrophobicContact CB-CD2 4.19Å; P230-W416 HydrophobicContact CB-CE3 4.18Å; P230-W416 HydrophobicContact CB-CH2 3.75Å; P230-W416 HydrophobicContact CB-CZ2 3.67Å; P230-W416 HydrophobicContact CB-CZ3 3.96Å; P230-W416 VanDerWaalsContact O-CZ2 3.24Å; P230-W416 WeakPolarHBondContact O-CZ2 3.46Å; P230-I477 HydrophobicContact CB-CG2 3.48Å; P230-I477 VanDerWaalsContact CB-CG2 3.48Å; P230-I477 HydrophobicContact CG-CB 4.49Å; P230-I477 HydrophobicContact CG-CG2 3.63Å; P230-F481 HydrophobicContact CB-CE2 3.79Å; P230-F481 HydrophobicContact CB-CZ 3.95Å; P230-F481 HydrophobicContact CG-CE2 3.9Å; P230-F481 HydrophobicContact CG-CZ 4.42Å
231	T	98	Very high	98.1	Very high	6 Å²	6	7.5 Å²	7.5	4%	0.037	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.2	38.7	-166.3	61.8	0	0	0	0	112.5	H228 R234 I477	H228-T231 PolarHBondContact O-N 3.12Å; T231-R234 WeakPolarHBondContact O-CD 3.44Å; T231-R234 VanDerWaalsContact O-CG 3.24Å; T231-R234 WeakPolarHBondContact O-CG 3.38Å; T231-R234 PolarHBondContact O-NE 3.28Å; T231-R234 VanDerWaalsContact O-NE 3.12Å; T231-I477 HydrophobicContact CG2-CD1 4.12Å
232	D	98.3	Very high	98.3	Very high	16 Å²	16	5.3 Å²	5.3	9%	0.086	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-2.2	-174.9	-68.8	-43.2	0	0	0	113.7	R139 V207 H228 R234 K235	R139-D232 IonicContact CZ-OD1 3.33Å; R139-D232 IonicContact NH1-OD1 3.44Å; R139-D232 PolarHBondContact NH1-OD1 3.15Å; R139-D232 IonicContact NH2-OD1 2.74Å; R139-D232 PolarHBondContact NH2-OD1 2.63Å; V207-D232 HydrophobicContact CB-CB 4Å; V207-D232 WeakPolarHBondContact CB-OD2 3.47Å; V207-D232 HydrophobicContact CG2-CB 4.35Å; H228-D232 PolarHBondContact O-N 3.43Å; D232-R234 PolarHBondContact O-N 3.17Å; D232-K235 WeakPolarHBondContact O-CB 3.36Å; D232-K235 PolarHBondContact O-N 2.66Å
233	A	98.8	Very high	98.4	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-58.6	-37.5	168.3	0	0	0	0	0	111	H228 K235 S236 F237 D241	H228-A233 HydrophobicContact CB-CB 3.98Å; A233-K235 PolarHBondContact O-N 3.42Å; A233-K235 VanDerWaalsContact O-N 3.07Å; A233-S236 WeakPolarHBondContact O-CB 3.36Å; A233-S236 PolarHBondContact O-N 3.07Å; A233-F237 PolarHBondContact O-N 2.86Å; A233-F237 VanDerWaalsContact O-O 3.12Å; A233-D241 WeakPolarHBondContact CB-OD1 3.28Å
234	R	98.6	Very high	98.5	Very high	4 Å²	4	4.9 Å²	4.9	2%	0.015	3%	0.025	C	C	.	.	H	α-helix	trans	-57.1	-18.3	172.3	68.4	-172	66.4	-169.2	-3.5	114.9	H137 I138 R139 E173 T231 D232 F237 D241	H137-R234 HydrophobicContact CB-CB 3.58Å; H137-R234 HydrophobicContact CB-CG 4.42Å; H137-R234 PolarHBondContact CD2-NH1 2.86Å; H137-R234 PolarHBondContact CD2-NH2 3.02Å; H137-R234 PolarHBondContact CE1-NH2 3.03Å; H137-R234 PolarHBondContact NE2-NH2 3.09Å; I138-R234 WeakPolarHBondContact CA-O 3.35Å; R139-R234 HydrophobicContact CB-CG 4.15Å; R139-R234 PolarHBondContact N-O 3.27Å; E173-R234 WeakPolarHBondContact OE2-CD 3.41Å; E173-R234 IonicContact OE2-CZ 3.1Å; E173-R234 IonicContact OE2-NE 3.73Å; E173-R234 IonicContact OE2-NH1 2.67Å; E173-R234 PolarHBondContact OE2-NH1 2.75Å; T231-R234 WeakPolarHBondContact O-CD 3.44Å; T231-R234 VanDerWaalsContact O-CG 3.24Å; T231-R234 WeakPolarHBondContact O-CG 3.38Å; T231-R234 PolarHBondContact O-NE 3.28Å; T231-R234 VanDerWaalsContact O-NE 3.12Å; D232-R234 PolarHBondContact O-N 3.17Å; R234-F237 WeakPolarHBondContact CA-O 3.45Å; R234-D241 HydrophobicContact CB-CB 4.21Å; R234-D241 IonicContact CZ-OD2 3.21Å; R234-D241 PolarHBondContact N-OD2 2.76Å; R234-D241 IonicContact NE-OD2 2.66Å; R234-D241 PolarHBondContact NE-OD2 3.4Å; R234-D241 PolarHBondContact NH2-O 2.56Å; R234-D241 IonicContact NH2-OD2 2.87Å
235	K	98.1	Very high	98.5	Very high	6 Å²	6	5.3 Å²	5.3	3%	0.026	3%	0.027	C	C	.	.	H	α-helix	trans	-87	-24.4	173.5	-177.6	172.5	177.1	-76.3	0	112.3	Y117 R139 E140 T141 S205 V207 D232 A233	Y117-K235 PolarHBondContact OH-O 3.29Å; R139-K235 WeakPolarHBondContact O-CA 3.48Å; E140-K235 VanDerWaalsContact CD-CE 3.47Å; E140-K235 WeakPolarHBondContact OE2-CE 3.26Å; T141-K235 WeakPolarHBondContact CB-O 3.42Å; T141-K235 PolarHBondContact OG1-O 2.89Å; S205-K235 PolarHBondContact OG-NZ 2.83Å; V207-K235 HydrophobicContact CG2-CD 4.31Å; V207-K235 PolarHBondContact O-NZ 3.43Å; D232-K235 WeakPolarHBondContact O-CB 3.36Å; D232-K235 PolarHBondContact O-N 2.66Å; A233-K235 PolarHBondContact O-N 3.42Å; A233-K235 VanDerWaalsContact O-N 3.07Å
236	S	98.7	Very high	98.5	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-84.6	-41.3	175	-69	0	0	0	0	113.3	Y117 F198 G208 F209 H228 A233	Y117-S236 WeakPolarHBondContact CE2-O 3.47Å; Y117-S236 WeakPolarHBondContact OH-CA 3.17Å; Y117-S236 PolarHBondContact OH-O 3.07Å; F198-S236 WeakPolarHBondContact CE2-O 3.31Å; G208-S236 WeakPolarHBondContact CA-OG 3.35Å; F209-S236 WeakPolarHBondContact CB-OG 3.21Å; F209-S236 PolarHBondContact N-OG 3.37Å; H228-S236 WeakPolarHBondContact NE2-CB 3.42Å; H228-S236 PolarHBondContact NE2-OG 2.93Å; A233-S236 WeakPolarHBondContact O-CB 3.36Å; A233-S236 PolarHBondContact O-N 3.07Å
237	F	98.8	Very high	98.5	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.031	C	C	.	.	S	Bend	trans	-158.8	152.8	179.3	59.9	-82.2	0	0	0	110.3	Y104 L106 F198 A233 R234 C239 Y249 V294 F296	Y104-F237 HydrophobicContact CD1-CE2 4.41Å; Y104-F237 HydrophobicContact CE1-CE2 4.45Å; L106-F237 HydrophobicContact CD1-CB 3.93Å; L106-F237 HydrophobicContact CD1-CD1 4.43Å; L106-F237 HydrophobicContact CD1-CD2 4.18Å; L106-F237 HydrophobicContact CD1-CG 3.94Å; L106-F237 HydrophobicContact CD2-CD1 3.83Å; L106-F237 HydrophobicContact CD2-CD2 4.31Å; L106-F237 HydrophobicContact CD2-CE1 3.9Å; L106-F237 HydrophobicContact CD2-CE2 4.34Å; L106-F237 HydrophobicContact CD2-CG 4.07Å; L106-F237 HydrophobicContact CD2-CZ 4.16Å; F198-F237 HydrophobicContact CE1-CB 4.04Å; F198-F237 HydrophobicContact CE2-CB 3.84Å; F198-F237 HydrophobicContact CZ-CB 3.54Å; A233-F237 PolarHBondContact O-N 2.86Å; A233-F237 VanDerWaalsContact O-O 3.12Å; R234-F237 WeakPolarHBondContact CA-O 3.45Å; F237-C239 HydrophobicContact CD2-CB 3.86Å; F237-C239 HydrophobicContact CE2-CB 3.54Å; F237-C239 HydrophobicContact CZ-CB 4.35Å; F237-C239 PolarHBondContact O-N 2.9Å; F237-C239 PolarHBondContact O-SG 3.44Å; F237-Y249 HydrophobicContact CE2-CE1 4.38Å; F237-Y249 HydrophobicContact CZ-CE1 4.32Å; F237-V294 HydrophobicContact CE1-CB 4.45Å; F237-V294 HydrophobicContact CE1-CG1 3.99Å; F237-V294 HydrophobicContact CZ-CB 4.32Å; F237-V294 HydrophobicContact CZ-CG1 4.05Å; F237-V294 HydrophobicContact CZ-CG2 4.32Å; F237-F296 HydrophobicContact CE1-CE1 4.44Å
238	P	98.8	Very high	98.6	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.035	C	C	.	.			trans	-62.7	124.7	175.9	-18.3	30.5	0	0	0	110.9	L136 H137 I138 L196 F198	L136-P238 HydrophobicContact CD1-CB 4.03Å; L136-P238 HydrophobicContact CG-CB 4.48Å; H137-P238 WeakPolarHBondContact O-CA 3.4Å; I138-P238 HydrophobicContact CD1-CB 4.45Å; I138-P238 HydrophobicContact CD1-CG 3.86Å; I138-P238 HydrophobicContact CG1-CG 4.3Å; L196-P238 HydrophobicContact CB-CG 4.4Å; L196-P238 HydrophobicContact CD1-CB 3.56Å; L196-P238 HydrophobicContact CD1-CG 4Å; F198-P238 HydrophobicContact CB-CG 4.27Å; F198-P238 HydrophobicContact CD1-CG 4.17Å; F198-P238 HydrophobicContact CG-CG 4.33Å
239	C	98.9	Very high	98.6	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.036	C	C	.	.	B	Isolated β-bridge	trans	-154.6	162.5	-176.6	57.2	0	0	0	0	113.8	Y104 H137 F237 D241 T291	Y104-C239 HydrophobicContact CE1-CB 4Å; H137-C239 WeakPolarHBondContact CB-O 3.29Å; H137-C239 PolarHBondContact N-O 3.28Å; H137-C239 PolarHBondContact O-N 2.94Å; F237-C239 HydrophobicContact CD2-CB 3.86Å; F237-C239 HydrophobicContact CE2-CB 3.54Å; F237-C239 HydrophobicContact CZ-CB 4.35Å; F237-C239 PolarHBondContact O-N 2.9Å; F237-C239 PolarHBondContact O-SG 3.44Å; C239-D241 PolarHBondContact O-N 3.44Å; C239-T291 HydrophobicContact CB-CG2 4Å
240	F	98.9	Very high	98.6	Very high	1 Å²	1	7.5 Å²	7.5	0%	0.004	4%	0.04	C	C	.	.			trans	-77.5	73.1	170.6	-66.7	-88	0	0	0	109.7	L95 V99 P101 Y104 I123 V125 W135 L136 E242 K245	L95-F240 HydrophobicContact CD1-CB 3.9Å; L95-F240 HydrophobicContact CD1-CD1 3.96Å; L95-F240 HydrophobicContact CD1-CG 4.44Å; L95-F240 HydrophobicContact CD2-CD1 4.23Å; V99-F240 HydrophobicContact CB-CE1 4.4Å; V99-F240 HydrophobicContact CG1-CE1 3.6Å; V99-F240 HydrophobicContact CG1-CZ 3.66Å; P101-F240 HydrophobicContact CB-CD2 3.78Å; P101-F240 HydrophobicContact CB-CE2 4.31Å; P101-F240 HydrophobicContact CB-CG 4.43Å; P101-F240 HydrophobicContact CG-CB 3.97Å; P101-F240 HydrophobicContact CG-CD2 3.96Å; P101-F240 HydrophobicContact CG-CG 4.11Å; Y104-F240 WeakPolarHBondContact OH-CD2 3.49Å; Y104-F240 PolarHBondContact OH-N 3.05Å; Y104-F240 VanDerWaalsContact OH-N 3.07Å; I123-F240 HydrophobicContact CG2-CD2 4.29Å; I123-F240 HydrophobicContact CG2-CE2 4.01Å; V125-F240 HydrophobicContact CG1-CZ 4.48Å; V125-F240 HydrophobicContact CG2-CE2 3.83Å; V125-F240 HydrophobicContact CG2-CZ 4.15Å; W135-F240 WeakPolarHBondContact O-CE1 3.48Å; L136-F240 HydrophobicContact CB-CD1 4.18Å; L136-F240 HydrophobicContact CB-CD2 4.44Å; L136-F240 HydrophobicContact CB-CE1 4.16Å; L136-F240 HydrophobicContact CB-CE2 4.43Å; L136-F240 HydrophobicContact CB-CG 4.32Å; L136-F240 HydrophobicContact CB-CZ 4.3Å; F240-E242 VanDerWaalsContact C-N 3.27Å; F240-E242 PolarHBondContact O-N 3.24Å; F240-K245 HydrophobicContact CB-CB 4.04Å; F240-K245 HydrophobicContact CB-CG 4.25Å; F240-K245 WeakPolarHBondContact O-CB 3.02Å
241	D	98.8	Very high	98.7	Very high	2 Å²	2	7.6 Å²	7.6	1%	0.011	4%	0.041	C	C	.	.			trans	-76.8	63.4	-167.7	-160.3	22.2	0	0	0	114.9	H137 A233 R234 C239 T291	H137-D241 HydrophobicContact CB-CB 3.82Å; H137-D241 WeakPolarHBondContact ND1-CB 3.32Å; H137-D241 PolarHBondContact ND1-N 3.47Å; H137-D241 VanDerWaalsContact ND1-N 3.12Å; A233-D241 WeakPolarHBondContact CB-OD1 3.28Å; R234-D241 HydrophobicContact CB-CB 4.21Å; R234-D241 IonicContact CZ-OD2 3.21Å; R234-D241 PolarHBondContact N-OD2 2.76Å; R234-D241 IonicContact NE-OD2 2.66Å; R234-D241 PolarHBondContact NE-OD2 3.4Å; R234-D241 PolarHBondContact NH2-O 2.56Å; R234-D241 IonicContact NH2-OD2 2.87Å; C239-D241 PolarHBondContact O-N 3.44Å; D241-T291 WeakPolarHBondContact CA-OG1 3.29Å; D241-T291 WeakPolarHBondContact OD1-CB 3.49Å; D241-T291 PolarHBondContact OD1-OG1 2.55Å
242	E	98.9	Very high	98.7	Very high	5 Å²	5	8 Å²	8	2%	0.023	4%	0.043	C	C	.	.	S	Bend	trans	-131.5	145.1	168.5	-71	-172.9	-162	0	0	110.2	R94 L95 F240 N244 K245 W415	R94-E242 WeakPolarHBondContact CA-OE1 3.39Å; R94-E242 IonicContact CZ-OE2 2.79Å; R94-E242 VanDerWaalsContact NE-CD 3.32Å; R94-E242 IonicContact NE-OE1 2.71Å; R94-E242 PolarHBondContact NE-OE1 3.05Å; R94-E242 IonicContact NE-OE2 3.29Å; R94-E242 PolarHBondContact NE-OE2 2.99Å; R94-E242 IonicContact NH2-OE2 3.47Å; R94-E242 PolarHBondContact NH2-OE2 3.5Å; L95-E242 WeakPolarHBondContact CB-OE1 3.39Å; L95-E242 HydrophobicContact CD1-CG 4Å; L95-E242 HydrophobicContact CG-CG 4.47Å; L95-E242 PolarHBondContact N-OE1 2.94Å; F240-E242 VanDerWaalsContact C-N 3.27Å; F240-E242 PolarHBondContact O-N 3.24Å; E242-N244 VanDerWaalsContact C-N 3.26Å; E242-N244 PolarHBondContact O-N 3.37Å; E242-N244 VanDerWaalsContact O-N 3.15Å; E242-K245 HydrophobicContact CB-CG 3.97Å; E242-K245 PolarHBondContact O-N 3.23Å; E242-W415 HydrophobicContact CB-CZ3 4.45Å; E242-W415 HydrophobicContact CG-CZ3 3.97Å
243	P	98.7	Very high	98.8	Very high	1 Å²	1	7.2 Å²	7.2	1%	0.006	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-28.3	-171.5	22.9	-33.9	0	0	0	113.9	S290 Y292 T412 M413 W415 W416 N520	P243-S290 WeakPolarHBondContact O-CB 3.36Å; P243-S290 PolarHBondContact O-OG 3.05Å; P243-Y292 HydrophobicContact CB-CE1 4.39Å; P243-T412 HydrophobicContact CB-CG2 4.08Å; P243-M413 HydrophobicContact CB-CE 4.17Å; P243-M413 HydrophobicContact CG-CE 4.41Å; P243-W415 HydrophobicContact CG-CE3 4.27Å; P243-W416 HydrophobicContact CB-CZ2 4.38Å; P243-W416 HydrophobicContact CG-CD2 4.45Å; P243-W416 HydrophobicContact CG-CZ2 4.2Å; P243-N520 PolarHBondContact O-ND2 3.28Å
244	N	98.4	Very high	98.8	Very high	34 Å²	34	7.5 Å²	7.5	18%	0.182	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-3.2	177.8	73.6	1.6	0	0	0	115.5	E242 K246 D414 N520	E242-N244 VanDerWaalsContact C-N 3.26Å; E242-N244 PolarHBondContact O-N 3.37Å; E242-N244 VanDerWaalsContact O-N 3.15Å; N244-K246 PolarHBondContact O-N 3.07Å; N244-K246 VanDerWaalsContact O-N 3.09Å; N244-D414 WeakPolarHBondContact CB-O 3.49Å; N244-D414 VanDerWaalsContact CB-OD1 3.29Å; N244-D414 WeakPolarHBondContact CB-OD1 3.17Å; N244-D414 PolarHBondContact ND2-OD1 2.97Å; N244-N520 WeakPolarHBondContact CA-ND2 3Å; N244-N520 HydrophobicContact CB-CB 4.32Å
245	K	98.6	Very high	98.7	Very high	10 Å²	10	7.6 Å²	7.6	4%	0.043	4%	0.042	C	C	.	.			trans	-87.9	46.7	175.5	-57.3	-65.2	-179.8	175.8	0	110.8	L95 P96 V99 P101 F240 E242 A247	L95-K245 HydrophobicContact CD1-CG 4.4Å; P96-K245 PolarHBondContact O-NZ 3.23Å; V99-K245 PolarHBondContact O-NZ 3.12Å; P101-K245 HydrophobicContact CG-CB 3.97Å; F240-K245 HydrophobicContact CB-CB 4.04Å; F240-K245 HydrophobicContact CB-CG 4.25Å; F240-K245 WeakPolarHBondContact O-CB 3.02Å; E242-K245 HydrophobicContact CB-CG 3.97Å; E242-K245 PolarHBondContact O-N 3.23Å; K245-A247 PolarHBondContact O-N 2.86Å
246	K	98.8	Very high	98.7	Very high	17 Å²	17	10.2 Å²	10.2	7%	0.074	6%	0.056	C	C	.	.			trans	-56.4	134.5	178.4	-71.6	-164.1	176.5	-169.4	0	111	N244 P288 M289 S290 N409 I410 T412 K519	N244-K246 PolarHBondContact O-N 3.07Å; N244-K246 VanDerWaalsContact O-N 3.09Å; K246-P288 HydrophobicContact CB-CB 4.44Å; K246-M289 WeakPolarHBondContact CA-O 3.27Å; K246-S290 WeakPolarHBondContact CE-OG 3.41Å; K246-S290 WeakPolarHBondContact CG-OG 3.2Å; K246-N409 PolarHBondContact NZ-O 2.97Å; K246-I410 PolarHBondContact NZ-O 2.63Å; K246-T412 WeakPolarHBondContact CE-OG1 3.5Å; K246-T412 PolarHBondContact NZ-OG1 2.9Å; K246-K519 PolarHBondContact NZ-O 3Å; K246-K519 VanDerWaalsContact NZ-O 3.12Å
247	A	98.9	Very high	98.6	Very high	2 Å²	2	14.7 Å²	14.7	2%	0.017	8%	0.076	C	C	.	.	B	Isolated β-bridge	trans	-144.4	168.7	176.4	0	0	0	0	0	110.5	P101 Y104 K245 Y249 P288 M289	P101-A247 HydrophobicContact CB-CB 4.12Å; P101-A247 HydrophobicContact CG-CB 4.33Å; Y104-A247 HydrophobicContact CD2-CB 3.58Å; Y104-A247 HydrophobicContact CE2-CB 3.45Å; Y104-A247 VanDerWaalsContact CE2-CB 3.45Å; K245-A247 PolarHBondContact O-N 2.86Å; A247-Y249 HydrophobicContact CB-CE2 4.36Å; A247-Y249 WeakPolarHBondContact O-CD2 3.49Å; A247-Y249 WeakPolarHBondContact O-CE2 3.39Å; A247-P288 CarbonylContact O-C 3.54Å; A247-P288 WeakPolarHBondContact O-CA 3.25Å; A247-M289 PolarHBondContact N-O 2.91Å; A247-M289 VanDerWaalsContact N-O 3.08Å; A247-M289 PolarHBondContact O-N 3.45Å
248	T	98.9	Very high	98.3	Very high	18 Å²	18	20.2 Å²	20.2	11%	0.11	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	152.6	172.3	55.7	0	0	0	0	110.6	I102 H103 Y104 K285 S286 P288	I102-T248 PolarHBondContact O-N 3.01Å; I102-T248 PolarHBondContact O-OG1 2.79Å; H103-T248 CarbonylContact C-O 3.52Å; H103-T248 VanDerWaalsContact CA-O 3.27Å; H103-T248 WeakPolarHBondContact CA-O 3.28Å; H103-T248 PolarHBondContact ND1-O 3.49Å; H103-T248 PolarHBondContact ND1-OG1 3.47Å; Y104-T248 PolarHBondContact N-O 3.26Å; T248-K285 WeakPolarHBondContact OG1-CE 3.31Å; T248-S286 WeakPolarHBondContact CB-O 3.37Å; T248-S286 WeakPolarHBondContact CG2-O 3.35Å; T248-P288 HydrophobicContact CG2-CB 4.48Å; T248-P288 HydrophobicContact CG2-CG 3.94Å
249	Y	98.9	Very high	98.3	Very high	2 Å²	2	22 Å²	22	1%	0.008	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133.7	-175.9	-63.3	-98.9	0	0	0	111.3	Y104 F237 A247 K285 S286 M289 T291 V294	Y104-Y249 VanDerWaalsContact CB-CD1 3.49Å; Y104-Y249 HydrophobicContact CD1-CE1 4.19Å; Y104-Y249 AromaticContact CD2-CD1 3.92Å; Y104-Y249 HydrophobicContact CD2-CD1 3.92Å; Y104-Y249 AromaticContact CD2-CE1 3.34Å; Y104-Y249 HydrophobicContact CD2-CE1 3.34Å; Y104-Y249 HydrophobicContact CD2-CE2 4.34Å; Y104-Y249 AromaticContact CD2-CZ 3.59Å; Y104-Y249 AromaticContact CE2-CE1 3.9Å; Y104-Y249 HydrophobicContact CE2-CE1 3.9Å; Y104-Y249 AromaticContact CE2-CZ 3.84Å; Y104-Y249 AromaticContact CG-CD1 3.85Å; Y104-Y249 HydrophobicContact CG-CD1 3.85Å; Y104-Y249 AromaticContact CG-CE1 3.51Å; Y104-Y249 HydrophobicContact CG-CE1 3.51Å; Y104-Y249 CarbonylContact O-C 3.59Å; Y104-Y249 WeakPolarHBondContact O-CA 3.39Å; F237-Y249 HydrophobicContact CE2-CE1 4.38Å; F237-Y249 HydrophobicContact CZ-CE1 4.32Å; A247-Y249 HydrophobicContact CB-CE2 4.36Å; A247-Y249 WeakPolarHBondContact O-CD2 3.49Å; A247-Y249 WeakPolarHBondContact O-CE2 3.39Å; Y249-K285 CarbonylContact O-C 3.59Å; Y249-K285 WeakPolarHBondContact O-CA 3.36Å; Y249-S286 PolarHBondContact N-OG 3.38Å; Y249-S286 PolarHBondContact O-N 2.94Å; Y249-M289 HydrophobicContact CD2-CE 3.55Å; Y249-M289 HydrophobicContact CD2-CG 3.82Å; Y249-M289 HydrophobicContact CE2-CE 4.18Å; Y249-M289 HydrophobicContact CE2-CG 3.78Å; Y249-M289 HydrophobicContact CG-CE 3.99Å; Y249-T291 WeakPolarHBondContact OH-CG2 3.49Å; Y249-V294 HydrophobicContact CD1-CG2 3.88Å; Y249-V294 HydrophobicContact CD2-CG2 4.16Å; Y249-V294 HydrophobicContact CE1-CG2 3.51Å; Y249-V294 HydrophobicContact CE2-CG2 3.8Å; Y249-V294 HydrophobicContact CG-CG2 4.2Å; Y249-V294 VanDerWaalsContact CZ-CG2 3.47Å
250	T	98.9	Very high	98.2	Very high	29 Å²	29	23.5 Å²	23.5	18%	0.178	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	112.8	162.5	-53.1	0	0	0	0	107	H103 Y104 D105 L106 T282	H103-T250 PolarHBondContact CE1-OG1 3.07Å; H103-T250 PolarHBondContact NE2-OG1 2.88Å; H103-T250 VanDerWaalsContact NE2-OG1 3.09Å; Y104-T250 PolarHBondContact O-N 3.46Å; D105-T250 WeakPolarHBondContact OD1-CB 3.35Å; L106-T250 PolarHBondContact N-O 2.95Å; T250-T282 HydrophobicContact CG2-CG2 4.5Å
251	I	98.9	Very high	98.2	Very high	6 Å²	6	24 Å²	24	3%	0.031	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	138.4	-174	-60.9	168.7	0	0	0	108.8	L106 I253 S263 F283 V294	L106-I251 HydrophobicContact CB-CG1 4.39Å; L106-I251 HydrophobicContact CD2-CG1 4.46Å; L106-I251 CarbonylContact O-C 3.46Å; L106-I251 WeakPolarHBondContact O-CA 3.23Å; I251-I253 HydrophobicContact CG2-CD1 4.49Å; I251-I253 HydrophobicContact CG2-CG1 4.21Å; I251-S263 VanDerWaalsContact CD1-OG 3.25Å; I251-S263 WeakPolarHBondContact CD1-OG 3.36Å; I251-F283 HydrophobicContact CB-CD2 4.17Å; I251-F283 HydrophobicContact CG2-CD2 4.13Å; I251-F283 WeakPolarHBondContact O-CD2 3.18Å; I251-F283 PolarHBondContact O-N 2.98Å; I251-V294 HydrophobicContact CD1-CG1 3.97Å
252	S	98.9	Very high	98.2	Very high	14 Å²	14	24.7 Å²	24.7	10%	0.098	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	140.7	169.2	63.8	0	0	0	0	111.7	L106 H107 L108 T281	L106-S252 PolarHBondContact O-N 3.06Å; H107-S252 WeakPolarHBondContact CA-O 3.19Å; H107-S252 PolarHBondContact ND1-O 2.9Å; H107-S252 PolarHBondContact ND1-OG 2.99Å; L108-S252 PolarHBondContact N-O 3.43Å; S252-T281 CarbonylContact C-O 3.58Å; S252-T281 VanDerWaalsContact CA-O 3.28Å; S252-T281 WeakPolarHBondContact CA-O 3.39Å
253	I	98.9	Very high	98.2	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	122.3	-175.7	-53	175.4	0	0	0	108.9	L108 P110 I251 H255 A261 K280 T281 F283 F296 V298	L108-I253 CarbonylContact O-C 3.56Å; L108-I253 WeakPolarHBondContact O-CA 3.21Å; P110-I253 HydrophobicContact CG-CG2 4.37Å; I251-I253 HydrophobicContact CG2-CD1 4.49Å; I251-I253 HydrophobicContact CG2-CG1 4.21Å; I253-H255 HydrophobicContact CG2-CB 4.47Å; I253-H255 PolarHBondContact O-CD2 3.16Å; I253-A261 HydrophobicContact CB-CB 4.34Å; I253-A261 HydrophobicContact CD1-CB 4.29Å; I253-K280 WeakPolarHBondContact O-CA 3.32Å; I253-T281 PolarHBondContact N-O 3.27Å; I253-T281 PolarHBondContact O-N 3.36Å; I253-F283 HydrophobicContact CD1-CE2 3.9Å; I253-F283 HydrophobicContact CG1-CE2 4.15Å; I253-F296 HydrophobicContact CD1-CB 3.58Å; I253-F296 HydrophobicContact CD1-CG 4.26Å; I253-V298 HydrophobicContact CG2-CG2 3.84Å
254	T	98.8	Very high	98.2	Very high	6 Å²	6	24.5 Å²	24.5	4%	0.037	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	120.8	168	-66	0	0	0	0	108.7	H107 L108 E109 P110 L274 K278 L279	H107-T254 PolarHBondContact CE1-OG1 3.27Å; H107-T254 PolarHBondContact NE2-OG1 2.6Å; L108-T254 PolarHBondContact O-N 3.02Å; E109-T254 HydrophobicContact CG-CG2 3.93Å; P110-T254 WeakPolarHBondContact CD-O 3.47Å; T254-L274 HydrophobicContact CG2-CD1 4.12Å; T254-K278 HydrophobicContact CG2-CB 4.17Å; T254-K278 HydrophobicContact CG2-CD 3.75Å; T254-L279 CarbonylContact C-O 3.5Å; T254-L279 WeakPolarHBondContact CA-O 3.12Å
255	H	98.3	Very high	98.3	Very high	5 Å²	5	23.7 Å²	23.7	2%	0.023	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	162.8	-176.5	59.3	86.7	0	0	0	111.7	I253 Y259 K278 L279 T281 V298	I253-H255 HydrophobicContact CG2-CB 4.47Å; I253-H255 PolarHBondContact O-CD2 3.16Å; H255-Y259 PolarHBondContact CE1-O 2.79Å; H255-Y259 PolarHBondContact ND1-O 3.25Å; H255-K278 CarbonylContact O-C 3.58Å; H255-K278 WeakPolarHBondContact O-CA 3.37Å; H255-L279 PolarHBondContact N-O 2.83Å; H255-L279 PolarHBondContact O-N 2.87Å; H255-T281 PolarHBondContact NE2-OG1 3.18Å; H255-V298 HydrophobicContact CB-CG1 3.92Å; H255-V298 HydrophobicContact CB-CG2 4.38Å
256	D	96.8	Very high	98.2	Very high	61 Å²	61	24 Å²	24	33%	0.326	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	145.7	174.9	-69.8	-20.1	0	0	0	111.2	N258 Y259	D256-N258 PolarHBondContact O-N 2.84Å; D256-Y259 HydrophobicContact CB-CD2 3.99Å; D256-Y259 HydrophobicContact CB-CE2 4.48Å; D256-Y259 PolarHBondContact O-N 3.42Å
257	K	96.1	Very high	98.2	Very high	95 Å²	95	26.2 Å²	26.2	41%	0.413	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-21.4	-176.8	-167.9	170.2	-166.6	163.3	0	114.6	Y259 E273 N277 L279	K257-Y259 VanDerWaalsContact C-N 3.26Å; K257-Y259 PolarHBondContact O-N 2.86Å; K257-E273 IonicContact NZ-OE1 3Å; K257-E273 PolarHBondContact NZ-OE1 3.29Å; K257-N277 WeakPolarHBondContact CB-O 3.22Å; K257-N277 WeakPolarHBondContact CD-OD1 3.16Å; K257-N277 PolarHBondContact N-O 3.37Å; K257-L279 HydrophobicContact CB-CD1 4.46Å; K257-L279 HydrophobicContact CB-CG 4.25Å; K257-L279 HydrophobicContact CG-CD1 4.03Å; K257-L279 HydrophobicContact CG-CD2 4.38Å; K257-L279 HydrophobicContact CG-CG 4.09Å
258	N	94.1	Very high	98.1	Very high	115 Å²	115	31.8 Å²	31.8	62%	0.615	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-1.1	179.3	-63	-17	0	0	0	113.5	D256 Q300	D256-N258 PolarHBondContact O-N 2.84Å; N258-Q300 PolarHBondContact O-NE2 2.61Å
259	Y	97.8	Very high	97.9	Very high	38 Å²	38	33.8 Å²	33.8	15%	0.149	20%	0.199	C	C	.	.	S	Bend	trans	-115.3	148.2	176.5	-68.9	-96.2	0	0	0	110.6	L112 K222 H255 D256 K257 V298 H299 Q300	L112-Y259 HydrophobicContact CD1-CD1 4.07Å; L112-Y259 HydrophobicContact CD1-CE1 3.56Å; L112-Y259 HydrophobicContact CD1-CE2 4.06Å; K222-Y259 WeakPolarHBondContact O-CE1 3.45Å; H255-Y259 PolarHBondContact CE1-O 2.79Å; H255-Y259 PolarHBondContact ND1-O 3.25Å; D256-Y259 HydrophobicContact CB-CD2 3.99Å; D256-Y259 HydrophobicContact CB-CE2 4.48Å; D256-Y259 PolarHBondContact O-N 3.42Å; K257-Y259 VanDerWaalsContact C-N 3.26Å; K257-Y259 PolarHBondContact O-N 2.86Å; Y259-V298 HydrophobicContact CD1-CG1 3.84Å; Y259-V298 HydrophobicContact CG-CG1 3.79Å; Y259-H299 CarbonylContact C-O 3.55Å; Y259-H299 WeakPolarHBondContact CA-O 3.43Å; Y259-Q300 HydrophobicContact CD1-CG 3.59Å; Y259-Q300 HydrophobicContact CE1-CG 3.66Å; Y259-Q300 HydrophobicContact CG-CG 4.19Å
260	G	98	Very high	97.7	Very high	32 Å²	32	39 Å²	39	33%	0.33	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	157.8	160.6	0	0	0	0	0	110.8	V298 H299	G260-V298 WeakPolarHBondContact O-CA 3.46Å; G260-H299 PolarHBondContact N-O 3.07Å; G260-H299 PolarHBondContact O-CD2 3.12Å; G260-H299 PolarHBondContact O-N 3.37Å
261	A	98.6	Very high	97.6	Very high	12 Å²	12	40.4 Å²	40.4	10%	0.099	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	135.1	171.4	0	0	0	0	0	110.4	I253 T281 F283 A297	I253-A261 HydrophobicContact CB-CB 4.34Å; I253-A261 HydrophobicContact CD1-CB 4.29Å; A261-T281 HydrophobicContact CB-CG2 4.32Å; A261-F283 HydrophobicContact CB-CZ 4.06Å; A261-A297 CarbonylContact C-O 3.31Å; A261-A297 VanDerWaalsContact CA-O 3.31Å; A261-A297 WeakPolarHBondContact CA-O 3.44Å
262	L	98.9	Very high	97.5	Very high	15 Å²	15	45.5 Å²	45.5	8%	0.079	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	150.4	172.6	-61.8	172.8	0	0	0	109.5	F296 A297 H299 Y317 I356 L371	L262-F296 CarbonylContact O-C 3.58Å; L262-F296 WeakPolarHBondContact O-CA 3.39Å; L262-A297 PolarHBondContact N-O 2.92Å; L262-A297 PolarHBondContact O-N 2.88Å; L262-H299 WeakPolarHBondContact CD1-NE2 3.47Å; L262-H299 WeakPolarHBondContact CG-NE2 3.21Å; L262-Y317 HydrophobicContact CD1-CD1 3.94Å; L262-Y317 HydrophobicContact CD1-CD2 4.03Å; L262-Y317 HydrophobicContact CD1-CE1 3.91Å; L262-Y317 HydrophobicContact CD1-CE2 4.04Å; L262-Y317 HydrophobicContact CD1-CG 3.99Å; L262-Y317 HydrophobicContact CD2-CE1 4.14Å; L262-Y317 HydrophobicContact CD2-CE2 4.27Å; L262-I356 HydrophobicContact CD1-CD1 4.25Å; L262-L371 HydrophobicContact CB-CD1 4.04Å; L262-L371 HydrophobicContact CB-CD2 3.68Å; L262-L371 HydrophobicContact CD1-CD1 3.96Å
263	S	98.9	Very high	97.4	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.007	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	-174.5	168.3	-170.4	0	0	0	0	110.1	I251 M265 C295 K352	I251-S263 VanDerWaalsContact CD1-OG 3.25Å; I251-S263 WeakPolarHBondContact CD1-OG 3.36Å; S263-M265 VanDerWaalsContact C-N 3.31Å; S263-M265 PolarHBondContact O-N 3.31Å; S263-C295 WeakPolarHBondContact CA-O 3.42Å; S263-C295 WeakPolarHBondContact CB-O 3.47Å; S263-C295 PolarHBondContact OG-O 3.32Å; S263-K352 PolarHBondContact O-NZ 2.99Å
264	N	98.8	Very high	97.3	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	31%	0.308	C	S	.	.	S	Bend	trans	-53.4	-46.8	179.4	-61.1	98.6	0	0	0	112.7	M289 L293 C295 K352 W369	N264-M289 HydrophobicContact CB-CE 4.08Å; N264-M289 HydrophobicContact CB-SD 4.49Å; N264-M289 WeakPolarHBondContact OD1-CE 3.27Å; N264-L293 PolarHBondContact ND2-O 3.11Å; N264-C295 PolarHBondContact N-O 3.29Å; N264-C295 PolarHBondContact OD1-N 2.94Å; N264-C295 PolarHBondContact OD1-O 3.44Å; N264-K352 WeakPolarHBondContact O-CE 3.06Å; N264-K352 PolarHBondContact O-NZ 3.17Å; N264-W369 WeakPolarHBondContact CA-O 3Å; N264-W369 WeakPolarHBondContact CB-O 3.34Å; N264-W369 PolarHBondContact ND2-N 3.39Å; N264-W369 PolarHBondContact ND2-O 2.74Å
265	M	98.8	Very high	97.1	Very high	17 Å²	17	59.2 Å²	59.2	8%	0.084	34%	0.343	C	S	.	.	S	Bend	trans	-95.8	157.8	-175.7	-60.3	-54.3	-70	0	0	111.4	S263 F283 Q284 I350	S263-M265 VanDerWaalsContact C-N 3.31Å; S263-M265 PolarHBondContact O-N 3.31Å; M265-F283 HydrophobicContact CB-CB 4.33Å; M265-F283 WeakPolarHBondContact O-CD1 3.33Å; M265-Q284 HydrophobicContact CB-CB 4.31Å; M265-Q284 WeakPolarHBondContact CB-O 3.38Å; M265-Q284 VanDerWaalsContact CG-O 3.26Å; M265-Q284 WeakPolarHBondContact CG-O 3.39Å; M265-I350 HydrophobicContact CE-CG1 4.49Å; M265-I350 HydrophobicContact CE-CG2 4Å; M265-I350 HydrophobicContact SD-CD1 3.81Å; M265-I350 HydrophobicContact SD-CG1 3.97Å; M265-I350 HydrophobicContact SD-CG2 3.83Å
266	P	98.4	Very high	96.7	Very high	17 Å²	17	62.4 Å²	62.4	11%	0.11	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-64	155.7	170.9	29.5	-38.3	0	0	0	111.9	Q284 K352	P266-Q284 HydrophobicContact CG-CG 4.25Å; P266-Q284 PolarHBondContact O-N 3.32Å; P266-K352 HydrophobicContact CB-CG 4.18Å
267	P	97.9	Very high	96.5	Very high	63 Å²	63	63.9 Å²	63.9	41%	0.409	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-56.6	140.7	172.2	-24.9	34.4	0	0	0	112.6	G269 T281 F283	P267-G269 PolarHBondContact O-N 3.01Å; P267-T281 HydrophobicContact CB-CG2 4.33Å; P267-F283 HydrophobicContact CG-CD1 4.29Å; P267-F283 HydrophobicContact CG-CE1 4.11Å
268	E	96.6	Very high	96.6	Very high	120 Å²	120	62 Å²	62	56%	0.561	38%	0.377	S	S	*	.	S	Bend	trans	-84.7	85.2	169.7	-171.8	169.8	-143	0	0	109.2	T282 Q284	E268-T282 PolarHBondContact N-O 3.47Å; E268-Q284 HydrophobicContact CB-CG 4.16Å
269	G	95.4	Very high	96.8	Very high	59 Å²	59	57.6 Å²	57.6	61%	0.608	35%	0.353	S	S	*	.	S	Bend	trans	74.5	-159.3	-177.8	0	0	0	0	0	113.5	P267	P267-G269 PolarHBondContact O-N 3.01Å
270	S	94.7	Very high	96.8	Very high	112 Å²	112	58.7 Å²	58.7	78%	0.783	36%	0.359	S	S	*	.	S	Bend	trans	-81.8	145	178.9	-61.9	0	0	0	0	111
271	P	95.7	Very high	96.8	Very high	59 Å²	59	57.5 Å²	57.5	38%	0.383	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-55.4	139.6	174.7	-25	33.9	0	0	0	112.7	L279 K280	P271-L279 HydrophobicContact CB-CB 4.08Å; P271-L279 HydrophobicContact CB-CD1 4.24Å; P271-K280 WeakPolarHBondContact CA-O 3.33Å
272	E	97.4	Very high	96.8	Very high	112 Å²	112	58.9 Å²	58.9	52%	0.523	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	130.9	175.4	-179	-174.8	178.6	0	0	110	L274 L279 K280	E272-L274 HydrophobicContact CG-CD2 4.11Å; E272-L279 CarbonylContact O-C 3.59Å; E272-L279 VanDerWaalsContact O-CA 3.31Å; E272-L279 WeakPolarHBondContact O-CA 3.28Å; E272-K280 HydrophobicContact CB-CB 4.34Å; E272-K280 PolarHBondContact N-O 3.44Å; E272-K280 PolarHBondContact O-N 2.76Å
273	E	97	Very high	96.8	Very high	137 Å²	137	58.3 Å²	58.3	64%	0.64	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	123.3	173	-65	-159.9	153.2	0	0	110.8	K257 L279	K257-E273 IonicContact NZ-OE1 3Å; K257-E273 PolarHBondContact NZ-OE1 3.29Å; E273-L279 HydrophobicContact CB-CD2 4.46Å; E273-L279 HydrophobicContact CG-CD2 3.9Å
274	L	96.6	Very high	96.8	Very high	52 Å²	52	62.1 Å²	62.1	27%	0.272	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	158.9	177.1	-63.5	-175.6	0	0	0	111.3	T254 E272 K278 K280	T254-L274 HydrophobicContact CG2-CD1 4.12Å; E272-L274 HydrophobicContact CG-CD2 4.11Å; L274-K278 HydrophobicContact CB-CB 4.25Å; L274-K278 PolarHBondContact N-O 3.42Å; L274-K280 HydrophobicContact CD1-CB 3.78Å; L274-K280 HydrophobicContact CG-CB 4.22Å
275	P	93.4	Very high	96.8	Very high	121 Å²	121	67.8 Å²	67.8	79%	0.786	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	153	171.6	-24.1	34.3	0	0	0	112.6
276	G	90.1	Very high	96.8	Very high	71 Å²	71	67.3 Å²	67.3	73%	0.732	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	24.4	175.6	0	0	0	0	0	115.3	K278	G276-K278 VanDerWaalsContact C-N 3.32Å; G276-K278 PolarHBondContact O-N 3.29Å
277	N	93.9	Very high	96.8	Very high	92 Å²	92	68 Å²	68	49%	0.492	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	36	-179.8	-165.3	50.6	0	0	0	113.6	K257	K257-N277 WeakPolarHBondContact CB-O 3.22Å; K257-N277 WeakPolarHBondContact CD-OD1 3.16Å; K257-N277 PolarHBondContact N-O 3.37Å
278	K	97	Very high	96.8	Very high	55 Å²	55	67.1 Å²	67.1	24%	0.239	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	153.5	177.3	-62.3	-164.2	179.7	-166	0	111.4	E109 T254 H255 L274 G276	E109-K278 IonicContact OE1-NZ 2.7Å; E109-K278 PolarHBondContact OE1-NZ 3.49Å; T254-K278 HydrophobicContact CG2-CB 4.17Å; T254-K278 HydrophobicContact CG2-CD 3.75Å; H255-K278 CarbonylContact O-C 3.58Å; H255-K278 WeakPolarHBondContact O-CA 3.37Å; L274-K278 HydrophobicContact CB-CB 4.25Å; L274-K278 PolarHBondContact N-O 3.42Å; G276-K278 VanDerWaalsContact C-N 3.32Å; G276-K278 PolarHBondContact O-N 3.29Å
279	L	98.1	Very high	96.9	Very high	24 Å²	24	61.4 Å²	61.4	13%	0.126	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	145.6	169.3	-63.2	179.5	0	0	0	108.8	T254 H255 K257 P271 E272 E273	T254-L279 CarbonylContact C-O 3.5Å; T254-L279 WeakPolarHBondContact CA-O 3.12Å; H255-L279 PolarHBondContact N-O 2.83Å; H255-L279 PolarHBondContact O-N 2.87Å; K257-L279 HydrophobicContact CB-CD1 4.46Å; K257-L279 HydrophobicContact CB-CG 4.25Å; K257-L279 HydrophobicContact CG-CD1 4.03Å; K257-L279 HydrophobicContact CG-CD2 4.38Å; K257-L279 HydrophobicContact CG-CG 4.09Å; P271-L279 HydrophobicContact CB-CB 4.08Å; P271-L279 HydrophobicContact CB-CD1 4.24Å; E272-L279 CarbonylContact O-C 3.59Å; E272-L279 VanDerWaalsContact O-CA 3.31Å; E272-L279 WeakPolarHBondContact O-CA 3.28Å; E273-L279 HydrophobicContact CB-CD2 4.46Å; E273-L279 HydrophobicContact CG-CD2 3.9Å
280	K	98.5	Very high	97.1	Very high	61 Å²	61	58.6 Å²	58.6	27%	0.265	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	113.9	165.4	-178.6	178.3	179.6	179.7	0	109.3	I253 P271 E272 L274	I253-K280 WeakPolarHBondContact O-CA 3.32Å; P271-K280 WeakPolarHBondContact CA-O 3.33Å; E272-K280 HydrophobicContact CB-CB 4.34Å; E272-K280 PolarHBondContact N-O 3.44Å; E272-K280 PolarHBondContact O-N 2.76Å; L274-K280 HydrophobicContact CD1-CB 3.78Å; L274-K280 HydrophobicContact CG-CB 4.22Å
281	T	98.8	Very high	97.3	Very high	6 Å²	6	53.3 Å²	53.3	4%	0.037	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	115.8	173.8	-59.5	0	0	0	0	108.5	S252 I253 H255 A261 P267 F283	S252-T281 CarbonylContact C-O 3.58Å; S252-T281 VanDerWaalsContact CA-O 3.28Å; S252-T281 WeakPolarHBondContact CA-O 3.39Å; I253-T281 PolarHBondContact N-O 3.27Å; I253-T281 PolarHBondContact O-N 3.36Å; H255-T281 PolarHBondContact NE2-OG1 3.18Å; A261-T281 HydrophobicContact CB-CG2 4.32Å; P267-T281 HydrophobicContact CB-CG2 4.33Å; T281-F283 HydrophobicContact CG2-CE1 3.99Å; T281-F283 HydrophobicContact CG2-CE2 4.07Å; T281-F283 HydrophobicContact CG2-CZ 3.69Å
282	T	98.8	Very high	97.5	Very high	41 Å²	41	50.5 Å²	50.5	25%	0.252	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	139	172.6	-57.9	0	0	0	0	108.8	T250 E268	T250-T282 HydrophobicContact CG2-CG2 4.5Å; E268-T282 PolarHBondContact N-O 3.47Å
283	F	98.9	Very high	97.5	Very high	3 Å²	3	45.2 Å²	45.2	1%	0.013	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-106.2	152.1	178.6	-59.5	-84.2	0	0	0	110.7	I251 I253 A261 M265 P267 T281	I251-F283 HydrophobicContact CB-CD2 4.17Å; I251-F283 HydrophobicContact CG2-CD2 4.13Å; I251-F283 WeakPolarHBondContact O-CD2 3.18Å; I251-F283 PolarHBondContact O-N 2.98Å; I253-F283 HydrophobicContact CD1-CE2 3.9Å; I253-F283 HydrophobicContact CG1-CE2 4.15Å; A261-F283 HydrophobicContact CB-CZ 4.06Å; M265-F283 HydrophobicContact CB-CB 4.33Å; M265-F283 WeakPolarHBondContact O-CD1 3.33Å; P267-F283 HydrophobicContact CG-CD1 4.29Å; P267-F283 HydrophobicContact CG-CE1 4.11Å; T281-F283 HydrophobicContact CG2-CE1 3.99Å; T281-F283 HydrophobicContact CG2-CE2 4.07Å; T281-F283 HydrophobicContact CG2-CZ 3.69Å
284	Q	98.8	Very high	97.6	Very high	81 Å²	81	38.7 Å²	38.7	38%	0.379	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-59.4	151.8	176.7	-64.7	178.3	12.4	0	0	111.3	M265 P266 E268 S286	M265-Q284 HydrophobicContact CB-CB 4.31Å; M265-Q284 WeakPolarHBondContact CB-O 3.38Å; M265-Q284 VanDerWaalsContact CG-O 3.26Å; M265-Q284 WeakPolarHBondContact CG-O 3.39Å; P266-Q284 HydrophobicContact CG-CG 4.25Å; P266-Q284 PolarHBondContact O-N 3.32Å; E268-Q284 HydrophobicContact CB-CG 4.16Å; Q284-S286 PolarHBondContact O-N 3.09Å
285	K	98.7	Very high	97.7	Very high	120 Å²	120	36.2 Å²	36.2	52%	0.522	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-58.3	129.6	174.7	178.8	170.4	-179	163	0	111.2	T248 Y249	T248-K285 WeakPolarHBondContact OG1-CE 3.31Å; Y249-K285 CarbonylContact O-C 3.59Å; Y249-K285 WeakPolarHBondContact O-CA 3.36Å
286	S	98.8	Very high	98	Very high	7 Å²	7	30.5 Å²	30.5	5%	0.049	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-74.8	159.6	178	84.4	0	0	0	0	112.9	T248 Y249 Q284	T248-S286 WeakPolarHBondContact CB-O 3.37Å; T248-S286 WeakPolarHBondContact CG2-O 3.35Å; Y249-S286 PolarHBondContact N-OG 3.38Å; Y249-S286 PolarHBondContact O-N 2.94Å; Q284-S286 PolarHBondContact O-N 3.09Å
287	I	98.1	Very high	98.4	Very high	31 Å²	31	27.1 Å²	27.1	16%	0.159	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-64.6	162.4	156.3	58.7	-170	0	0	0	110.9	M289 S349 I350 W369 F518	I287-M289 PolarHBondContact O-N 3.03Å; I287-S349 VanDerWaalsContact CD1-CB 3.41Å; I287-I350 HydrophobicContact CD1-CD1 4.48Å; I287-I350 HydrophobicContact CD1-CG1 4.05Å; I287-W369 HydrophobicContact CD1-CD2 4.03Å; I287-W369 HydrophobicContact CD1-CE3 4.04Å; I287-W369 HydrophobicContact CD1-CH2 3.3Å; I287-W369 HydrophobicContact CD1-CZ2 3.27Å; I287-W369 HydrophobicContact CD1-CZ3 3.7Å; I287-W369 HydrophobicContact CG1-CE3 4.26Å; I287-W369 HydrophobicContact CG1-CH2 4.04Å; I287-W369 HydrophobicContact CG1-CZ2 4.39Å; I287-W369 HydrophobicContact CG1-CZ3 3.96Å; I287-F518 HydrophobicContact CB-CE1 4.41Å; I287-F518 HydrophobicContact CB-CE2 4.44Å; I287-F518 HydrophobicContact CB-CZ 4.16Å; I287-F518 HydrophobicContact CD1-CE1 3.76Å; I287-F518 HydrophobicContact CD1-CZ 3.98Å; I287-F518 HydrophobicContact CG1-CE1 4.47Å; I287-F518 HydrophobicContact CG2-CE2 4.29Å; I287-F518 HydrophobicContact CG2-CZ 4.03Å
288	P	98.6	Very high	98.6	Very high	45 Å²	45	22.9 Å²	22.9	29%	0.292	11%	0.113	S	C	.	.	S	Bend	trans	-60.7	123.2	176.5	-22	33.4	0	0	0	111.7	K246 A247 T248	K246-P288 HydrophobicContact CB-CB 4.44Å; A247-P288 CarbonylContact O-C 3.54Å; A247-P288 WeakPolarHBondContact O-CA 3.25Å; T248-P288 HydrophobicContact CG2-CB 4.48Å; T248-P288 HydrophobicContact CG2-CG 3.94Å
289	M	98.8	Very high	98.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-143.4	158.8	179.9	66.6	-168.9	-173.6	0	0	111.6	K246 A247 Y249 N264 I287 V294 W369	K246-M289 WeakPolarHBondContact CA-O 3.27Å; A247-M289 PolarHBondContact N-O 2.91Å; A247-M289 VanDerWaalsContact N-O 3.08Å; A247-M289 PolarHBondContact O-N 3.45Å; Y249-M289 HydrophobicContact CD2-CE 3.55Å; Y249-M289 HydrophobicContact CD2-CG 3.82Å; Y249-M289 HydrophobicContact CE2-CE 4.18Å; Y249-M289 HydrophobicContact CE2-CG 3.78Å; Y249-M289 HydrophobicContact CG-CE 3.99Å; N264-M289 HydrophobicContact CB-CE 4.08Å; N264-M289 HydrophobicContact CB-SD 4.49Å; N264-M289 WeakPolarHBondContact OD1-CE 3.27Å; I287-M289 PolarHBondContact O-N 3.03Å; M289-V294 HydrophobicContact CE-CG2 3.93Å; M289-W369 HydrophobicContact CB-CE3 3.73Å; M289-W369 HydrophobicContact CB-CZ3 4.01Å; M289-W369 HydrophobicContact SD-CE3 4.49Å
290	S	98.8	Very high	98.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.11	C	C	.	.			trans	-75	154.4	178.2	-55.5	0	0	0	0	110.8	P243 K246 Y292 L293	P243-S290 WeakPolarHBondContact O-CB 3.36Å; P243-S290 PolarHBondContact O-OG 3.05Å; K246-S290 WeakPolarHBondContact CE-OG 3.41Å; K246-S290 WeakPolarHBondContact CG-OG 3.2Å; S290-Y292 VanDerWaalsContact C-N 3.31Å; S290-Y292 PolarHBondContact O-N 3.44Å; S290-L293 PolarHBondContact O-N 2.88Å
291	T	98.9	Very high	98.7	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.006	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-59.5	-39.7	-177.2	45.8	0	0	0	0	112.7	C239 D241 Y249 L293 V294	C239-T291 HydrophobicContact CB-CG2 4Å; D241-T291 WeakPolarHBondContact CA-OG1 3.29Å; D241-T291 WeakPolarHBondContact OD1-CB 3.49Å; D241-T291 PolarHBondContact OD1-OG1 2.55Å; Y249-T291 WeakPolarHBondContact OH-CG2 3.49Å; T291-L293 PolarHBondContact O-N 2.94Å; T291-V294 WeakPolarHBondContact O-CB 3.24Å; T291-V294 WeakPolarHBondContact O-CG2 3.45Å; T291-V294 PolarHBondContact O-N 2.79Å
292	Y	98.8	Very high	98.6	Very high	1 Å²	1	20.8 Å²	20.8	0%	0.004	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-63.8	-13.5	-178.4	83.1	-91.3	0	0	0	114.4	E229 P243 S290 M366 G408 T412 W416 N422	E229-Y292 HydrophobicContact CB-CD2 3.86Å; E229-Y292 HydrophobicContact CG-CD2 3.62Å; E229-Y292 HydrophobicContact CG-CE2 4.16Å; E229-Y292 HydrophobicContact CG-CG 4.22Å; E229-Y292 VanDerWaalsContact OE1-CE2 3.24Å; E229-Y292 WeakPolarHBondContact OE1-CE2 3.33Å; P243-Y292 HydrophobicContact CB-CE1 4.39Å; S290-Y292 VanDerWaalsContact C-N 3.31Å; S290-Y292 PolarHBondContact O-N 3.44Å; Y292-M366 HydrophobicContact CD2-CE 3.49Å; Y292-M366 VanDerWaalsContact CD2-CE 3.49Å; Y292-M366 HydrophobicContact CE2-CE 3.65Å; Y292-G408 PolarHBondContact OH-O 3.22Å; Y292-T412 HydrophobicContact CE1-CG2 3.85Å; Y292-W416 HydrophobicContact CD1-CH2 4.02Å; Y292-W416 HydrophobicContact CD1-CZ2 4.39Å; Y292-W416 HydrophobicContact CD2-CH2 4.43Å; Y292-W416 HydrophobicContact CE1-CH2 4.34Å; Y292-W416 HydrophobicContact CG-CH2 4.08Å; Y292-N422 PolarHBondContact OH-ND2 2.82Å; Y292-N422 VanDerWaalsContact OH-ND2 3.11Å
293	L	98.9	Very high	98.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-96.5	-8.2	177.8	-64.8	172.8	0	0	0	113.4	N264 S290 T291 C295 M366 E367 N409	N264-L293 PolarHBondContact ND2-O 3.11Å; S290-L293 PolarHBondContact O-N 2.88Å; T291-L293 PolarHBondContact O-N 2.94Å; L293-C295 PolarHBondContact O-N 3.2Å; L293-M366 HydrophobicContact CD2-CE 4.1Å; L293-E367 HydrophobicContact CD2-CG 3.7Å; L293-N409 HydrophobicContact CD1-CB 4.17Å; L293-N409 VanDerWaalsContact CD1-OD1 3.28Å; L293-N409 WeakPolarHBondContact CD1-OD1 3.27Å; L293-N409 WeakPolarHBondContact CD2-OD1 3.37Å
294	V	98.9	Very high	98.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.12	C	C	.	.			trans	-67.5	122.4	179.7	175.9	0	0	0	0	108.2	H228 F237 Y249 I251 M289 T291 F296	H228-V294 PolarHBondContact CE1-O 2.71Å; H228-V294 PolarHBondContact ND1-O 2.85Å; F237-V294 HydrophobicContact CE1-CB 4.45Å; F237-V294 HydrophobicContact CE1-CG1 3.99Å; F237-V294 HydrophobicContact CZ-CB 4.32Å; F237-V294 HydrophobicContact CZ-CG1 4.05Å; F237-V294 HydrophobicContact CZ-CG2 4.32Å; Y249-V294 HydrophobicContact CD1-CG2 3.88Å; Y249-V294 HydrophobicContact CD2-CG2 4.16Å; Y249-V294 HydrophobicContact CE1-CG2 3.51Å; Y249-V294 HydrophobicContact CE2-CG2 3.8Å; Y249-V294 HydrophobicContact CG-CG2 4.2Å; Y249-V294 VanDerWaalsContact CZ-CG2 3.47Å; I251-V294 HydrophobicContact CD1-CG1 3.97Å; M289-V294 HydrophobicContact CE-CG2 3.93Å; T291-V294 WeakPolarHBondContact O-CB 3.24Å; T291-V294 WeakPolarHBondContact O-CG2 3.45Å; T291-V294 PolarHBondContact O-N 2.79Å; V294-F296 HydrophobicContact CG1-CD1 4.3Å; V294-F296 HydrophobicContact CG1-CE1 4.12Å
295	C	98.9	Very high	98.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.			trans	-138.4	143.4	-176.6	-174.2	0	0	0	0	112.4	T226 S263 N264 L293 N368 L371	T226-C295 VanDerWaalsContact OG1-CA 3.3Å; T226-C295 WeakPolarHBondContact OG1-CA 3.24Å; T226-C295 PolarHBondContact OG1-SG 2.89Å; S263-C295 WeakPolarHBondContact CA-O 3.42Å; S263-C295 WeakPolarHBondContact CB-O 3.47Å; S263-C295 PolarHBondContact OG-O 3.32Å; N264-C295 PolarHBondContact N-O 3.29Å; N264-C295 PolarHBondContact OD1-N 2.94Å; N264-C295 PolarHBondContact OD1-O 3.44Å; L293-C295 PolarHBondContact O-N 3.2Å; C295-N368 HydrophobicContact CB-CB 3.46Å; C295-N368 VanDerWaalsContact CB-CB 3.46Å; C295-N368 VanDerWaalsContact CB-CG 3.48Å; C295-L371 HydrophobicContact CB-CD2 4.48Å
296	F	98.7	Very high	98.6	Very high	1 Å²	1	21.4 Å²	21.4	0%	0.004	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	148.9	173.4	41.9	-93.9	0	0	0	112	L106 L108 F209 A225 T226 F237 I253 L262 V294	L106-F296 HydrophobicContact CD2-CE1 4.01Å; L108-F296 HydrophobicContact CD1-CD1 3.91Å; L108-F296 HydrophobicContact CD1-CD2 3.71Å; L108-F296 HydrophobicContact CD1-CE1 3.57Å; L108-F296 HydrophobicContact CD1-CE2 3.32Å; L108-F296 HydrophobicContact CD1-CG 3.98Å; L108-F296 HydrophobicContact CD1-CZ 3.25Å; L108-F296 HydrophobicContact CD2-CE2 4.42Å; L108-F296 HydrophobicContact CD2-CZ 4.32Å; L108-F296 HydrophobicContact CG-CE2 4.45Å; L108-F296 HydrophobicContact CG-CZ 4.4Å; F209-F296 HydrophobicContact CB-CE2 4.25Å; F209-F296 HydrophobicContact CD1-CE2 4.01Å; F209-F296 HydrophobicContact CD2-CD2 4.08Å; F209-F296 AromaticContact CD2-CE2 3.66Å; F209-F296 HydrophobicContact CD2-CE2 3.66Å; F209-F296 HydrophobicContact CE1-CE2 4.21Å; F209-F296 AromaticContact CE2-CD2 3.93Å; F209-F296 HydrophobicContact CE2-CD2 3.93Å; F209-F296 AromaticContact CE2-CE2 3.89Å; F209-F296 HydrophobicContact CE2-CE2 3.89Å; F209-F296 AromaticContact CG-CE2 3.74Å; F209-F296 HydrophobicContact CG-CE2 3.74Å; F209-F296 HydrophobicContact CZ-CD2 4.27Å; F209-F296 HydrophobicContact CZ-CE2 4.16Å; A225-F296 WeakPolarHBondContact CA-O 3.42Å; T226-F296 HydrophobicContact CG2-CD1 4.28Å; T226-F296 HydrophobicContact CG2-CD2 3.57Å; T226-F296 HydrophobicContact CG2-CE1 3.97Å; T226-F296 HydrophobicContact CG2-CE2 3.2Å; T226-F296 HydrophobicContact CG2-CG 4.1Å; T226-F296 HydrophobicContact CG2-CZ 3.43Å; T226-F296 VanDerWaalsContact CG2-CZ 3.43Å; T226-F296 PolarHBondContact N-O 3.21Å; T226-F296 PolarHBondContact OG1-N 3.4Å; T226-F296 PolarHBondContact OG1-O 3.18Å; F237-F296 HydrophobicContact CE1-CE1 4.44Å; I253-F296 HydrophobicContact CD1-CB 3.58Å; I253-F296 HydrophobicContact CD1-CG 4.26Å; L262-F296 CarbonylContact O-C 3.58Å; L262-F296 WeakPolarHBondContact O-CA 3.39Å; V294-F296 HydrophobicContact CG1-CD1 4.3Å; V294-F296 HydrophobicContact CG1-CE1 4.12Å
297	A	98.8	Very high	98.6	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.008	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	146.6	178.9	0	0	0	0	0	112.2	A224 A225 A261 L262	A224-A297 CarbonylContact O-C 3.56Å; A224-A297 WeakPolarHBondContact O-CA 3.36Å; A225-A297 HydrophobicContact CB-CB 4.18Å; A261-A297 CarbonylContact C-O 3.31Å; A261-A297 VanDerWaalsContact CA-O 3.31Å; A261-A297 WeakPolarHBondContact CA-O 3.44Å; L262-A297 PolarHBondContact N-O 2.92Å; L262-A297 PolarHBondContact O-N 2.88Å
298	V	98.7	Very high	98.6	Very high	2 Å²	2	23 Å²	23	1%	0.012	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	113.4	173.3	179.7	0	0	0	0	108.4	P110 L112 I223 A224 I253 H255 Y259 G260	P110-V298 HydrophobicContact CG-CG2 3.9Å; L112-V298 HydrophobicContact CD1-CG1 4.22Å; I223-V298 WeakPolarHBondContact CA-O 3.45Å; I223-V298 WeakPolarHBondContact CG1-O 3.48Å; A224-V298 PolarHBondContact N-O 2.91Å; A224-V298 PolarHBondContact O-N 3.01Å; I253-V298 HydrophobicContact CG2-CG2 3.84Å; H255-V298 HydrophobicContact CB-CG1 3.92Å; H255-V298 HydrophobicContact CB-CG2 4.38Å; Y259-V298 HydrophobicContact CD1-CG1 3.84Å; Y259-V298 HydrophobicContact CG-CG1 3.79Å; G260-V298 WeakPolarHBondContact O-CA 3.46Å
299	H	98.3	Very high	98.6	Very high	10 Å²	10	24.5 Å²	24.5	5%	0.046	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	170.7	-160.7	75.5	102.4	0	0	0	113.6	I223 Y259 G260 L262 F301 Y317	I223-H299 HydrophobicContact CD1-CB 3.72Å; I223-H299 HydrophobicContact CG1-CB 3.86Å; Y259-H299 CarbonylContact C-O 3.55Å; Y259-H299 WeakPolarHBondContact CA-O 3.43Å; G260-H299 PolarHBondContact N-O 3.07Å; G260-H299 PolarHBondContact O-CD2 3.12Å; G260-H299 PolarHBondContact O-N 3.37Å; L262-H299 WeakPolarHBondContact CD1-NE2 3.47Å; L262-H299 WeakPolarHBondContact CG-NE2 3.21Å; H299-F301 VanDerWaalsContact ND1-CB 3.34Å; H299-F301 WeakPolarHBondContact ND1-CB 3.2Å; H299-F301 AromaticContact ND1-CG 3.98Å; H299-F301 PolarHBondContact ND1-N 3.04Å; H299-Y317 AromaticContact CE1-CD1 3.63Å; H299-Y317 AromaticContact CE1-CE1 3.77Å
300	Q	97.7	Very high	98.6	Very high	56 Å²	56	26.7 Å²	26.7	26%	0.262	15%	0.15	S	C	.	.			trans	-125.2	26.9	174.8	-57.2	-171.1	-48.5	0	0	112.4	N258 Y259	N258-Q300 PolarHBondContact O-NE2 2.61Å; Y259-Q300 HydrophobicContact CD1-CG 3.59Å; Y259-Q300 HydrophobicContact CE1-CG 3.66Å; Y259-Q300 HydrophobicContact CG-CG 4.19Å
301	F	98.3	Very high	98.5	Very high	16 Å²	16	33 Å²	33	7%	0.07	18%	0.184	C	C	.	.			trans	-82.5	151.9	-174.4	-68.1	1.1	0	0	0	112.3	Y214 I223 H299 Y317 A318 Q319 I356 A357 P359	Y214-F301 HydrophobicContact CE1-CE1 4.03Å; Y214-F301 HydrophobicContact CE2-CE1 4.09Å; Y214-F301 AromaticContact CZ-CE1 3.61Å; Y214-F301 WeakPolarHBondContact OH-CE1 3.39Å; I223-F301 HydrophobicContact CD1-CE2 3.98Å; I223-F301 HydrophobicContact CD1-CZ 3.98Å; H299-F301 VanDerWaalsContact ND1-CB 3.34Å; H299-F301 WeakPolarHBondContact ND1-CB 3.2Å; H299-F301 AromaticContact ND1-CG 3.98Å; H299-F301 PolarHBondContact ND1-N 3.04Å; F301-Y317 HydrophobicContact CB-CD1 4.48Å; F301-A318 WeakPolarHBondContact CB-O 3.18Å; F301-Q319 HydrophobicContact CD1-CG 4.31Å; F301-Q319 HydrophobicContact CE1-CB 4.43Å; F301-Q319 HydrophobicContact CE1-CG 3.65Å; F301-Q319 HydrophobicContact CZ-CG 3.78Å; F301-I356 HydrophobicContact CD2-CD1 3.8Å; F301-I356 HydrophobicContact CD2-CG1 3.84Å; F301-I356 HydrophobicContact CE2-CD1 4.11Å; F301-I356 HydrophobicContact CE2-CG1 3.99Å; F301-A357 VanDerWaalsContact CE2-O 3.28Å; F301-A357 WeakPolarHBondContact CE2-O 3.18Å; F301-P359 HydrophobicContact CZ-CG 4.3Å
302	G	98.3	Very high	98.5	Very high	21 Å²	21	33.7 Å²	33.7	22%	0.216	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-176.8	162.9	0	0	0	0	0	110.7	Y317 A318	G302-Y317 VanDerWaalsContact O-CA 3.3Å; G302-Y317 WeakPolarHBondContact O-CA 3.29Å; G302-A318 PolarHBondContact N-O 3.07Å; G302-A318 PolarHBondContact O-N 3.2Å; G302-A318 VanDerWaalsContact O-N 3.13Å
303	F	98.7	Very high	98.5	Very high	94 Å²	94	35 Å²	35	41%	0.412	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	156.4	174.5	60.5	-91.7	0	0	0	113.3	E305 R315 I316 Y317	F303-E305 HydrophobicContact CD2-CB 4.09Å; F303-E305 HydrophobicContact CE2-CB 4.08Å; F303-R315 HydrophobicContact CB-CB 4.33Å; F303-R315 HydrophobicContact CD2-CB 4.27Å; F303-R315 HydrophobicContact CD2-CG 3.97Å; F303-R315 HydrophobicContact CE2-CG 4.32Å; F303-R315 HydrophobicContact CG-CB 4.44Å; F303-I316 CarbonylContact C-O 3.55Å; F303-I316 WeakPolarHBondContact CA-O 3.39Å; F303-I316 WeakPolarHBondContact CB-O 3.16Å; F303-Y317 HydrophobicContact CB-CD1 3.91Å; F303-Y317 HydrophobicContact CB-CD2 4.2Å; F303-Y317 HydrophobicContact CB-CE1 4Å; F303-Y317 HydrophobicContact CB-CE2 4.25Å; F303-Y317 HydrophobicContact CB-CG 4.02Å; F303-Y317 HydrophobicContact CD1-CD1 4.25Å; F303-Y317 AromaticContact CD1-CE1 3.6Å; F303-Y317 HydrophobicContact CD1-CE1 3.6Å; F303-Y317 AromaticContact CD1-CZ 3.85Å; F303-Y317 HydrophobicContact CE1-CE1 4.49Å; F303-Y317 HydrophobicContact CG-CE1 4.14Å
304	V	98.8	Very high	98.5	Very high	13 Å²	13	35 Å²	35	8%	0.079	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.8	162.8	178.7	0	0	0	0	107.9	R315 I316 A326 A330	V304-R315 WeakPolarHBondContact O-CA 3.17Å; V304-I316 PolarHBondContact N-O 2.7Å; V304-I316 PolarHBondContact O-N 3.14Å; V304-A326 HydrophobicContact CG2-CB 4.06Å; V304-A330 HydrophobicContact CB-CB 4.35Å; V304-A330 HydrophobicContact CG1-CB 3.72Å
305	E	98.7	Very high	98.5	Very high	79 Å²	79	38 Å²	38	37%	0.369	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	144.4	-177.4	-169.9	175.2	91.1	0	0	112	F303 L314 R315	F303-E305 HydrophobicContact CD2-CB 4.09Å; F303-E305 HydrophobicContact CE2-CB 4.08Å; E305-L314 CarbonylContact C-O 3.59Å; E305-L314 WeakPolarHBondContact CA-O 3.29Å; E305-R315 HydrophobicContact CB-CG 4.3Å; E305-R315 HydrophobicContact CG-CG 3.98Å; E305-R315 IonicContact OE2-CZ 2.72Å; E305-R315 IonicContact OE2-NE 3.35Å; E305-R315 PolarHBondContact OE2-NE 2.69Å; E305-R315 IonicContact OE2-NH2 3.39Å; E305-R315 PolarHBondContact OE2-NH2 2.94Å; E305-R315 VanDerWaalsContact OE2-NH2 3.13Å
306	R	98.8	Very high	98.5	Very high	71 Å²	71	38 Å²	38	27%	0.268	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	165.1	160.8	-64.1	-64.8	-178.5	-88	-3.3	108.8	L314 E327 A330 N331 K334	R306-L314 PolarHBondContact N-O 2.83Å; R306-L314 PolarHBondContact O-N 3.09Å; R306-E327 IonicContact CZ-OE2 3.54Å; R306-E327 IonicContact NH1-OE2 2.8Å; R306-E327 IonicContact NH2-OE2 3.75Å; R306-E327 PolarHBondContact NH2-OE2 3.06Å; R306-A330 HydrophobicContact CG-CB 4.07Å; R306-A330 WeakPolarHBondContact CG-O 3.39Å; R306-N331 PolarHBondContact NE-OD1 3.23Å; R306-N331 VanDerWaalsContact NE-OD1 3.09Å; R306-N331 PolarHBondContact NH2-OD1 3.04Å; R306-K334 HydrophobicContact CB-CB 4.01Å; R306-K334 HydrophobicContact CB-CG 4.41Å; R306-K334 HydrophobicContact CG-CB 4.28Å
307	T	98.7	Very high	98.5	Very high	69 Å²	69	38.8 Å²	38.8	42%	0.423	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	124.7	177.4	-51.7	0	0	0	0	109	I312 K334	T307-I312 WeakPolarHBondContact CA-O 3.23Å; T307-K334 VanDerWaalsContact O-CD 3.23Å; T307-K334 WeakPolarHBondContact O-CD 3.4Å; T307-K334 WeakPolarHBondContact O-CE 3.21Å; T307-K334 PolarHBondContact O-NZ 2.88Å
308	S	98.7	Very high	98.5	Very high	4 Å²	4	38.8 Å²	38.8	3%	0.028	21%	0.21	C	C	.	.			trans	-62.5	167.2	176.5	75.8	0	0	0	0	111.9	S310 N311 I312 D338	S308-S310 PolarHBondContact O-N 3.49Å; S308-S310 PolarHBondContact OG-N 2.69Å; S308-S310 PolarHBondContact OG-OG 3.27Å; S308-N311 PolarHBondContact O-N 3.26Å; S308-N311 VanDerWaalsContact O-N 3.09Å; S308-N311 PolarHBondContact OG-N 2.79Å; S308-I312 PolarHBondContact N-O 3.31Å; S308-I312 WeakPolarHBondContact OG-CA 3.15Å; S308-I312 VanDerWaalsContact OG-CB 3.27Å; S308-I312 WeakPolarHBondContact OG-CB 3.26Å; S308-I312 PolarHBondContact OG-N 3.32Å; S308-D338 WeakPolarHBondContact CA-OD1 3.24Å; S308-D338 WeakPolarHBondContact CB-OD1 3.48Å
309	A	98.3	Very high	98.4	Very high	75 Å²	75	39 Å²	39	62%	0.62	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-28.2	172.8	0	0	0	0	0	111.8	N311 D338	A309-N311 VanDerWaalsContact C-N 3.29Å; A309-N311 PolarHBondContact O-N 2.86Å; A309-D338 HydrophobicContact CB-CB 4.5Å; A309-D338 PolarHBondContact N-OD1 3.03Å
310	S	97.2	Very high	98.3	Very high	47 Å²	47	41.4 Å²	41.4	33%	0.329	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	10.9	174.1	48.8	0	0	0	0	114.5	S308 I312 E341	S308-S310 PolarHBondContact O-N 3.49Å; S308-S310 PolarHBondContact OG-N 2.69Å; S308-S310 PolarHBondContact OG-OG 3.27Å; S310-I312 VanDerWaalsContact C-N 3.31Å; S310-I312 PolarHBondContact O-N 3.45Å; S310-E341 VanDerWaalsContact CB-OE2 3.25Å; S310-E341 WeakPolarHBondContact CB-OE2 3.05Å; S310-E341 PolarHBondContact OG-OE1 2.86Å; S310-E341 PolarHBondContact OG-OE2 3.45Å
311	N	98.2	Very high	98.1	Very high	133 Å²	133	41.7 Å²	41.7	71%	0.711	24%	0.236	S	C	*	.	S	Bend	trans	63.2	28.2	-177.9	-58.6	-67.5	0	0	0	115.1	S308 A309	S308-N311 PolarHBondContact O-N 3.26Å; S308-N311 VanDerWaalsContact O-N 3.09Å; S308-N311 PolarHBondContact OG-N 2.79Å; A309-N311 VanDerWaalsContact C-N 3.29Å; A309-N311 PolarHBondContact O-N 2.86Å
312	I	98.6	Very high	97.9	Very high	15 Å²	15	41.4 Å²	41.4	8%	0.077	24%	0.235	C	C	.	.			trans	-89.8	124.3	177	-56.3	-176.9	0	0	0	108.2	T307 S308 S310 L314 F337 Y348	T307-I312 WeakPolarHBondContact CA-O 3.23Å; S308-I312 PolarHBondContact N-O 3.31Å; S308-I312 WeakPolarHBondContact OG-CA 3.15Å; S308-I312 VanDerWaalsContact OG-CB 3.27Å; S308-I312 WeakPolarHBondContact OG-CB 3.26Å; S308-I312 PolarHBondContact OG-N 3.32Å; S310-I312 VanDerWaalsContact C-N 3.31Å; S310-I312 PolarHBondContact O-N 3.45Å; I312-L314 HydrophobicContact CG2-CD2 4.19Å; I312-L314 PolarHBondContact O-N 2.94Å; I312-F337 HydrophobicContact CD1-CE1 4.28Å; I312-F337 HydrophobicContact CD1-CZ 3.95Å; I312-F337 HydrophobicContact CG2-CZ 4.47Å; I312-Y348 HydrophobicContact CD1-CD1 3.86Å; I312-Y348 HydrophobicContact CG2-CD1 4.4Å
313	P	98.8	Very high	97.9	Very high	27 Å²	27	42.7 Å²	42.7	18%	0.175	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	125.9	172.9	28	-32.6	0	0	0	109.8	S351 K352 L353	P313-S351 VanDerWaalsContact CD-O 3.24Å; P313-S351 WeakPolarHBondContact CD-O 3.38Å; P313-K352 HydrophobicContact CG-CB 3.92Å; P313-L353 PolarHBondContact O-N 3.47Å
314	L	98.9	Very high	97.8	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	111	178.6	-51.5	177.7	0	0	0	107.8	E305 R306 I312 T333 K334 F337 L353	E305-L314 CarbonylContact C-O 3.59Å; E305-L314 WeakPolarHBondContact CA-O 3.29Å; R306-L314 PolarHBondContact N-O 2.83Å; R306-L314 PolarHBondContact O-N 3.09Å; I312-L314 HydrophobicContact CG2-CD2 4.19Å; I312-L314 PolarHBondContact O-N 2.94Å; L314-T333 HydrophobicContact CB-CG2 4.37Å; L314-T333 HydrophobicContact CD1-CG2 4.31Å; L314-K334 HydrophobicContact CD1-CB 4.18Å; L314-K334 HydrophobicContact CD1-CD 4.34Å; L314-F337 HydrophobicContact CD1-CB 4.17Å; L314-F337 HydrophobicContact CD1-CD1 4.34Å; L314-F337 HydrophobicContact CD1-CG 4.2Å; L314-F337 HydrophobicContact CD2-CD1 4.38Å; L314-F337 HydrophobicContact CD2-CD2 4.05Å; L314-F337 HydrophobicContact CD2-CE1 4.46Å; L314-F337 HydrophobicContact CD2-CE2 4.14Å; L314-F337 HydrophobicContact CD2-CG 4.18Å; L314-F337 HydrophobicContact CD2-CZ 4.33Å; L314-L353 WeakPolarHBondContact CA-O 3.35Å; L314-L353 HydrophobicContact CD2-CB 3.85Å; L314-L353 HydrophobicContact CD2-CD2 4.24Å
315	R	98.9	Very high	97.7	Very high	62 Å²	62	47.1 Å²	47.1	23%	0.234	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	132.8	-171.6	-62.3	177.1	-175.9	132	5.8	112.1	F303 V304 E305 Y317 L353 D354 K355	F303-R315 HydrophobicContact CB-CB 4.33Å; F303-R315 HydrophobicContact CD2-CB 4.27Å; F303-R315 HydrophobicContact CD2-CG 3.97Å; F303-R315 HydrophobicContact CE2-CG 4.32Å; F303-R315 HydrophobicContact CG-CB 4.44Å; V304-R315 WeakPolarHBondContact O-CA 3.17Å; E305-R315 HydrophobicContact CB-CG 4.3Å; E305-R315 HydrophobicContact CG-CG 3.98Å; E305-R315 IonicContact OE2-CZ 2.72Å; E305-R315 IonicContact OE2-NE 3.35Å; E305-R315 PolarHBondContact OE2-NE 2.69Å; E305-R315 IonicContact OE2-NH2 3.39Å; E305-R315 PolarHBondContact OE2-NH2 2.94Å; E305-R315 VanDerWaalsContact OE2-NH2 3.13Å; R315-Y317 HydrophobicContact CB-CD2 4.12Å; R315-Y317 HydrophobicContact CB-CE2 3.6Å; R315-Y317 HydrophobicContact CG-CE2 4.47Å; R315-L353 PolarHBondContact N-O 3.03Å; R315-D354 WeakPolarHBondContact CB-OD1 3.31Å; R315-D354 CarbonylContact O-C 3.45Å; R315-D354 WeakPolarHBondContact O-CA 3.36Å; R315-K355 PolarHBondContact O-N 2.78Å
316	I	98.9	Very high	97.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	106.1	174.2	-45.1	-57.7	0	0	0	108.6	F303 V304 A326 A329 A330 K355 L379	F303-I316 CarbonylContact C-O 3.55Å; F303-I316 WeakPolarHBondContact CA-O 3.39Å; F303-I316 WeakPolarHBondContact CB-O 3.16Å; V304-I316 PolarHBondContact N-O 2.7Å; V304-I316 PolarHBondContact O-N 3.14Å; I316-A326 HydrophobicContact CB-CB 4.1Å; I316-A326 HydrophobicContact CG2-CB 3.71Å; I316-A329 HydrophobicContact CG1-CB 4.39Å; I316-A329 HydrophobicContact CG2-CB 4.27Å; I316-A330 HydrophobicContact CG1-CB 3.77Å; I316-K355 CarbonylContact C-O 3.55Å; I316-K355 WeakPolarHBondContact CA-O 3.44Å; I316-K355 HydrophobicContact CD1-CB 3.79Å; I316-K355 HydrophobicContact CD1-CD 3.66Å; I316-K355 HydrophobicContact CD1-CG 4Å; I316-L379 HydrophobicContact CG2-CD1 4.16Å; I316-L379 HydrophobicContact CG2-CD2 3.83Å; I316-L379 HydrophobicContact CG2-CG 3.99Å
317	Y	98.9	Very high	97.7	Very high	18 Å²	18	43.8 Å²	43.8	7%	0.071	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	129.1	178.2	-72	-97.3	0	0	0	111.2	L262 H299 F301 G302 F303 R315 D354 K355 I356 A357	L262-Y317 HydrophobicContact CD1-CD1 3.94Å; L262-Y317 HydrophobicContact CD1-CD2 4.03Å; L262-Y317 HydrophobicContact CD1-CE1 3.91Å; L262-Y317 HydrophobicContact CD1-CE2 4.04Å; L262-Y317 HydrophobicContact CD1-CG 3.99Å; L262-Y317 HydrophobicContact CD2-CE1 4.14Å; L262-Y317 HydrophobicContact CD2-CE2 4.27Å; H299-Y317 AromaticContact CE1-CD1 3.63Å; H299-Y317 AromaticContact CE1-CE1 3.77Å; F301-Y317 HydrophobicContact CB-CD1 4.48Å; G302-Y317 VanDerWaalsContact O-CA 3.3Å; G302-Y317 WeakPolarHBondContact O-CA 3.29Å; F303-Y317 HydrophobicContact CB-CD1 3.91Å; F303-Y317 HydrophobicContact CB-CD2 4.2Å; F303-Y317 HydrophobicContact CB-CE1 4Å; F303-Y317 HydrophobicContact CB-CE2 4.25Å; F303-Y317 HydrophobicContact CB-CG 4.02Å; F303-Y317 HydrophobicContact CD1-CD1 4.25Å; F303-Y317 AromaticContact CD1-CE1 3.6Å; F303-Y317 HydrophobicContact CD1-CE1 3.6Å; F303-Y317 AromaticContact CD1-CZ 3.85Å; F303-Y317 HydrophobicContact CE1-CE1 4.49Å; F303-Y317 HydrophobicContact CG-CE1 4.14Å; R315-Y317 HydrophobicContact CB-CD2 4.12Å; R315-Y317 HydrophobicContact CB-CE2 3.6Å; R315-Y317 HydrophobicContact CG-CE2 4.47Å; Y317-D354 HydrophobicContact CD2-CB 4.08Å; Y317-D354 HydrophobicContact CE2-CB 3.81Å; Y317-K355 PolarHBondContact N-O 2.83Å; Y317-I356 WeakPolarHBondContact O-CA 3.24Å; Y317-A357 PolarHBondContact O-N 3.23Å; Y317-A357 VanDerWaalsContact O-N 3.17Å
318	A	98.2	Very high	97.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	164.7	177.8	0	0	0	0	0	110.6	F301 G302 L323 L380	F301-A318 WeakPolarHBondContact CB-O 3.18Å; G302-A318 PolarHBondContact N-O 3.07Å; G302-A318 PolarHBondContact O-N 3.2Å; G302-A318 VanDerWaalsContact O-N 3.13Å; A318-L323 HydrophobicContact CB-CD2 4.37Å; A318-L380 HydrophobicContact CB-CD2 3.9Å
319	Q	97.3	Very high	97.7	Very high	8 Å²	8	41.5 Å²	41.5	4%	0.037	23%	0.226	C	C	.	.			trans	-52.3	136.1	172.8	-56.1	-178	41.8	0	0	109.5	Y214 F301 S321 Q322 L323 E376	Y214-Q319 HydrophobicContact CD2-CG 4.27Å; Y214-Q319 HydrophobicContact CE2-CG 4.14Å; F301-Q319 HydrophobicContact CD1-CG 4.31Å; F301-Q319 HydrophobicContact CE1-CB 4.43Å; F301-Q319 HydrophobicContact CE1-CG 3.65Å; F301-Q319 HydrophobicContact CZ-CG 3.78Å; Q319-S321 PolarHBondContact O-N 3.33Å; Q319-S321 VanDerWaalsContact O-N 3.1Å; Q319-Q322 HydrophobicContact CB-CB 4.31Å; Q319-Q322 HydrophobicContact CB-CG 4.27Å; Q319-Q322 VanDerWaalsContact CD-OE1 3.31Å; Q319-Q322 WeakPolarHBondContact O-CA 3.47Å; Q319-Q322 PolarHBondContact O-N 3.17Å; Q319-L323 PolarHBondContact O-N 3.31Å; Q319-E376 PolarHBondContact NE2-OE1 2.9Å
320	P	95.3	Very high	97.8	Very high	59 Å²	59	38 Å²	38	38%	0.383	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-46	-41.9	179	-32.3	34.3	0	0	0	114.2	E216 Q322 L323	E216-P320 WeakPolarHBondContact OE1-CD 3.46Å; E216-P320 VanDerWaalsContact OE1-N 3.14Å; P320-Q322 PolarHBondContact O-N 3.03Å; P320-L323 PolarHBondContact O-N 2.76Å
321	S	94.1	Very high	97.8	Very high	63 Å²	63	39.3 Å²	39.3	44%	0.441	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-65.7	-19.9	177.1	55.9	0	0	0	0	114.8	E216 Q319	E216-S321 WeakPolarHBondContact OE1-CB 3.41Å; E216-S321 PolarHBondContact OE1-N 3.46Å; E216-S321 PolarHBondContact OE1-OG 2.99Å; Q319-S321 PolarHBondContact O-N 3.33Å; Q319-S321 VanDerWaalsContact O-N 3.1Å
322	Q	94.9	Very high	97.9	Very high	10 Å²	10	33.2 Å²	33.2	5%	0.047	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-106.8	-0.3	-176.7	-67	175.8	-38.5	0	0	113.7	Q319 P320 K324 T325 L380 T823	Q319-Q322 HydrophobicContact CB-CB 4.31Å; Q319-Q322 HydrophobicContact CB-CG 4.27Å; Q319-Q322 VanDerWaalsContact CD-OE1 3.31Å; Q319-Q322 WeakPolarHBondContact O-CA 3.47Å; Q319-Q322 PolarHBondContact O-N 3.17Å; P320-Q322 PolarHBondContact O-N 3.03Å; Q322-K324 PolarHBondContact O-N 3.36Å; Q322-T325 WeakPolarHBondContact O-CB 3.3Å; Q322-T325 PolarHBondContact O-N 2.81Å; Q322-T325 PolarHBondContact O-OG1 2.58Å; Q322-L380 HydrophobicContact CB-CD1 4.21Å; Q322-T823 PolarHBondContact NE2-O 3.01Å
323	L	96.5	Very high	97.9	Very high	47 Å²	47	32.6 Å²	32.6	25%	0.246	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-53.9	-32.7	-172.7	-74.8	172.2	0	0	0	114.9	A318 Q319 P320 T325 A326	A318-L323 HydrophobicContact CB-CD2 4.37Å; Q319-L323 PolarHBondContact O-N 3.31Å; P320-L323 PolarHBondContact O-N 2.76Å; L323-T325 PolarHBondContact O-N 3.35Å; L323-A326 WeakPolarHBondContact O-CB 3.12Å; L323-A326 PolarHBondContact O-N 3.44Å; L323-A326 VanDerWaalsContact O-N 3.1Å
324	K	97	Very high	97.9	Very high	188 Å²	188	33.7 Å²	33.7	82%	0.817	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-61.6	-30.2	176.3	-67.6	-176.5	179.8	177.3	0	113	Q322 A326 E327	Q322-K324 PolarHBondContact O-N 3.36Å; K324-A326 PolarHBondContact O-N 2.93Å; K324-E327 WeakPolarHBondContact O-CG 3.24Å
325	T	97.9	Very high	97.9	Very high	12 Å²	12	36.5 Å²	36.5	7%	0.074	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-78.1	-9.5	179.5	70.3	0	0	0	0	112.9	Q322 L323 L380 Y381 D382	Q322-T325 WeakPolarHBondContact O-CB 3.3Å; Q322-T325 PolarHBondContact O-N 2.81Å; Q322-T325 PolarHBondContact O-OG1 2.58Å; L323-T325 PolarHBondContact O-N 3.35Å; T325-L380 WeakPolarHBondContact OG1-CB 3.14Å; T325-Y381 CarbonylContact C-O 3.31Å; T325-Y381 VanDerWaalsContact CA-O 3.25Å; T325-Y381 WeakPolarHBondContact CA-O 3.12Å; T325-Y381 PolarHBondContact O-N 2.96Å; T325-Y381 VanDerWaalsContact O-O 3.08Å; T325-D382 HydrophobicContact CG2-CB 3.92Å
326	A	98.4	Very high	97.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-86.3	-8.7	175.8	0	0	0	0	0	113.4	V304 I316 L323 K324 Y328 A329 A330 L380	V304-A326 HydrophobicContact CG2-CB 4.06Å; I316-A326 HydrophobicContact CB-CB 4.1Å; I316-A326 HydrophobicContact CG2-CB 3.71Å; L323-A326 WeakPolarHBondContact O-CB 3.12Å; L323-A326 PolarHBondContact O-N 3.44Å; L323-A326 VanDerWaalsContact O-N 3.1Å; K324-A326 PolarHBondContact O-N 2.93Å; A326-Y328 PolarHBondContact O-N 3.14Å; A326-A329 PolarHBondContact O-N 3.05Å; A326-A330 WeakPolarHBondContact O-CB 3.36Å; A326-A330 PolarHBondContact O-N 2.91Å; A326-L380 HydrophobicContact CB-CD2 4.21Å
327	E	98.6	Very high	97.9	Very high	80 Å²	80	33.6 Å²	33.6	37%	0.374	17%	0.173	S	C	.	.	H	α-helix	trans	-64.3	-42.2	-174.8	-73	-70.5	179.7	0	0	113	R306 K324 A330 N331	R306-E327 IonicContact CZ-OE2 3.54Å; R306-E327 IonicContact NH1-OE2 2.8Å; R306-E327 IonicContact NH2-OE2 3.75Å; R306-E327 PolarHBondContact NH2-OE2 3.06Å; K324-E327 WeakPolarHBondContact O-CG 3.24Å; E327-A330 PolarHBondContact O-N 3.25Å; E327-N331 VanDerWaalsContact O-CG 3.25Å; E327-N331 PolarHBondContact O-N 3.24Å; E327-N331 PolarHBondContact O-ND2 2.83Å
328	Y	98.8	Very high	97.9	Very high	25 Å²	25	34.5 Å²	34.5	10%	0.098	18%	0.179	C	C	.	.	H	α-helix	trans	-62.8	-47.8	177.6	179.8	-114.8	0	0	0	111	A326 A330 N331 V332 Y381 K391 V394 A395 E438 W441	A326-Y328 PolarHBondContact O-N 3.14Å; Y328-A330 VanDerWaalsContact C-N 3.3Å; Y328-A330 PolarHBondContact O-N 3.08Å; Y328-N331 PolarHBondContact O-N 3.41Å; Y328-N331 VanDerWaalsContact O-N 3.15Å; Y328-V332 HydrophobicContact CD2-CG1 4.12Å; Y328-V332 HydrophobicContact CE1-CG1 4.12Å; Y328-V332 HydrophobicContact CE2-CG1 3.47Å; Y328-V332 VanDerWaalsContact CE2-CG1 3.47Å; Y328-V332 VanDerWaalsContact CZ-CG1 3.48Å; Y328-V332 WeakPolarHBondContact O-CG2 3.23Å; Y328-V332 PolarHBondContact O-N 3.02Å; Y328-Y381 HydrophobicContact CD1-CD1 4.06Å; Y328-Y381 HydrophobicContact CD1-CG 4.1Å; Y328-Y381 AromaticContact CG-CD1 3.89Å; Y328-Y381 HydrophobicContact CG-CD1 3.89Å; Y328-Y381 HydrophobicContact CG-CG 4.39Å; Y328-K391 HydrophobicContact CD1-CG 4.17Å; Y328-K391 HydrophobicContact CE1-CG 3.57Å; Y328-K391 WeakPolarHBondContact CE1-O 3.5Å; Y328-K391 HydrophobicContact CE2-CD 4.31Å; Y328-K391 HydrophobicContact CE2-CG 4.18Å; Y328-K391 WeakPolarHBondContact OH-CE 3.45Å; Y328-V394 HydrophobicContact CD1-CB 4.45Å; Y328-V394 HydrophobicContact CD1-CG1 3.94Å; Y328-V394 HydrophobicContact CE1-CB 4.41Å; Y328-V394 HydrophobicContact CE1-CG1 4.19Å; Y328-A395 HydrophobicContact CE1-CB 4.28Å; Y328-E438 WeakPolarHBondContact CE2-OE1 3.29Å; Y328-E438 PolarHBondContact OH-OE1 2.92Å; Y328-W441 WeakPolarHBondContact OH-CH2 3.41Å
329	A	98.9	Very high	97.9	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-57.2	-42.3	175.9	0	0	0	0	0	112.5	I316 A326 N331 T333 L379 I398	I316-A329 HydrophobicContact CG1-CB 4.39Å; I316-A329 HydrophobicContact CG2-CB 4.27Å; A326-A329 PolarHBondContact O-N 3.05Å; A329-N331 VanDerWaalsContact C-N 3.34Å; A329-N331 PolarHBondContact O-N 3.12Å; A329-T333 WeakPolarHBondContact O-CB 3.18Å; A329-T333 PolarHBondContact O-N 3.12Å; A329-T333 PolarHBondContact O-OG1 2.8Å; A329-L379 HydrophobicContact CB-CD1 3.71Å; A329-L379 HydrophobicContact CB-CG 4.28Å; A329-L379 WeakPolarHBondContact CB-O 3.26Å; A329-I398 HydrophobicContact CB-CD1 3.51Å
330	A	98.9	Very high	98	Very high	2 Å²	2	35.7 Å²	35.7	2%	0.017	19%	0.185	C	C	.	.	H	α-helix	trans	-62.1	-42.3	177.8	0	0	0	0	0	111.7	V304 R306 I316 A326 E327 Y328 K334	V304-A330 HydrophobicContact CB-CB 4.35Å; V304-A330 HydrophobicContact CG1-CB 3.72Å; R306-A330 HydrophobicContact CG-CB 4.07Å; R306-A330 WeakPolarHBondContact CG-O 3.39Å; I316-A330 HydrophobicContact CG1-CB 3.77Å; A326-A330 WeakPolarHBondContact O-CB 3.36Å; A326-A330 PolarHBondContact O-N 2.91Å; E327-A330 PolarHBondContact O-N 3.25Å; Y328-A330 VanDerWaalsContact C-N 3.3Å; Y328-A330 PolarHBondContact O-N 3.08Å; A330-K334 PolarHBondContact O-N 3.31Å
331	N	98.8	Very high	98.2	Very high	74 Å²	74	33.9 Å²	33.9	40%	0.396	17%	0.171	S	C	.	.	H	α-helix	trans	-65.7	-51.2	179.3	-68	-20.8	0	0	0	112.1	R306 E327 Y328 A329 K334 V335	R306-N331 PolarHBondContact NE-OD1 3.23Å; R306-N331 VanDerWaalsContact NE-OD1 3.09Å; R306-N331 PolarHBondContact NH2-OD1 3.04Å; E327-N331 VanDerWaalsContact O-CG 3.25Å; E327-N331 PolarHBondContact O-N 3.24Å; E327-N331 PolarHBondContact O-ND2 2.83Å; Y328-N331 PolarHBondContact O-N 3.41Å; Y328-N331 VanDerWaalsContact O-N 3.15Å; A329-N331 VanDerWaalsContact C-N 3.34Å; A329-N331 PolarHBondContact O-N 3.12Å; N331-K334 PolarHBondContact O-N 2.8Å; N331-V335 PolarHBondContact O-N 2.82Å
332	V	98.8	Very high	98.4	Very high	6 Å²	6	38.1 Å²	38.1	4%	0.036	18%	0.184	C	C	.	.	H	α-helix	trans	-69.8	-35	-178.6	-59.1	0	0	0	0	111.8	Y328 K334 V335 I336 I398 A437	Y328-V332 HydrophobicContact CD2-CG1 4.12Å; Y328-V332 HydrophobicContact CE1-CG1 4.12Å; Y328-V332 HydrophobicContact CE2-CG1 3.47Å; Y328-V332 VanDerWaalsContact CE2-CG1 3.47Å; Y328-V332 VanDerWaalsContact CZ-CG1 3.48Å; Y328-V332 WeakPolarHBondContact O-CG2 3.23Å; Y328-V332 PolarHBondContact O-N 3.02Å; V332-K334 VanDerWaalsContact C-N 3.27Å; V332-K334 PolarHBondContact O-N 3.39Å; V332-V335 PolarHBondContact O-N 3.41Å; V332-I336 HydrophobicContact CB-CD1 4.06Å; V332-I336 WeakPolarHBondContact O-CB 3.36Å; V332-I336 WeakPolarHBondContact O-CD1 3.3Å; V332-I336 WeakPolarHBondContact O-CG1 3.23Å; V332-I336 PolarHBondContact O-N 2.91Å; V332-I398 HydrophobicContact CG2-CB 4.39Å; V332-I398 HydrophobicContact CG2-CD1 3.58Å; V332-I398 HydrophobicContact CG2-CG2 4.15Å; V332-A437 HydrophobicContact CB-CB 4.41Å; V332-A437 HydrophobicContact CG1-CB 4.33Å
333	T	98.9	Very high	98.5	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-56	-45.1	174.4	-64.1	0	0	0	0	110.9	L314 A329 F337 L353 K355 I398 L402	L314-T333 HydrophobicContact CB-CG2 4.37Å; L314-T333 HydrophobicContact CD1-CG2 4.31Å; A329-T333 WeakPolarHBondContact O-CB 3.18Å; A329-T333 PolarHBondContact O-N 3.12Å; A329-T333 PolarHBondContact O-OG1 2.8Å; T333-F337 WeakPolarHBondContact O-CB 3.43Å; T333-F337 PolarHBondContact O-N 3.08Å; T333-L353 HydrophobicContact CG2-CD2 4.21Å; T333-K355 HydrophobicContact CG2-CD 4.14Å; T333-K355 VanDerWaalsContact CG2-CE 3.42Å; T333-K355 WeakPolarHBondContact OG1-CE 3.4Å; T333-I398 WeakPolarHBondContact OG1-CG2 3.44Å; T333-L402 HydrophobicContact CG2-CD1 4.32Å; T333-L402 HydrophobicContact CG2-CD2 4.48Å
334	K	98.9	Very high	98.6	Very high	51 Å²	51	37 Å²	37	22%	0.222	18%	0.176	C	C	.	.	H	α-helix	trans	-61.5	-51.2	179.2	164.2	58	171	154	0	112.2	R306 T307 L314 A330 N331 V332 D338	R306-K334 HydrophobicContact CB-CB 4.01Å; R306-K334 HydrophobicContact CB-CG 4.41Å; R306-K334 HydrophobicContact CG-CB 4.28Å; T307-K334 VanDerWaalsContact O-CD 3.23Å; T307-K334 WeakPolarHBondContact O-CD 3.4Å; T307-K334 WeakPolarHBondContact O-CE 3.21Å; T307-K334 PolarHBondContact O-NZ 2.88Å; L314-K334 HydrophobicContact CD1-CB 4.18Å; L314-K334 HydrophobicContact CD1-CD 4.34Å; A330-K334 PolarHBondContact O-N 3.31Å; N331-K334 PolarHBondContact O-N 2.8Å; V332-K334 VanDerWaalsContact C-N 3.27Å; V332-K334 PolarHBondContact O-N 3.39Å; K334-D338 WeakPolarHBondContact CD-OD2 3.24Å; K334-D338 VanDerWaalsContact CE-OD2 3.31Å; K334-D338 WeakPolarHBondContact CE-OD2 3.48Å; K334-D338 IonicContact NZ-OD1 2.67Å; K334-D338 PolarHBondContact NZ-OD1 3.11Å; K334-D338 IonicContact NZ-OD2 2.83Å; K334-D338 PolarHBondContact NZ-OD2 2.92Å; K334-D338 VanDerWaalsContact O-CG 3.27Å; K334-D338 PolarHBondContact O-N 2.87Å
335	V	98.9	Very high	98.7	Very high	61 Å²	61	34 Å²	34	37%	0.37	17%	0.169	S	C	.	.	H	α-helix	trans	-62.5	-48.3	-178.2	176.9	0	0	0	0	111	N331 V332 D338 H339 E436 A437	N331-V335 PolarHBondContact O-N 2.82Å; V332-V335 PolarHBondContact O-N 3.41Å; V335-D338 PolarHBondContact O-N 3.32Å; V335-H339 WeakPolarHBondContact O-CB 3.5Å; V335-H339 PolarHBondContact O-N 3.27Å; V335-H339 VanDerWaalsContact O-N 3.07Å; V335-E436 HydrophobicContact CG1-CG 3.95Å; V335-A437 HydrophobicContact CB-CB 4.4Å; V335-A437 HydrophobicContact CG1-CB 4.18Å
336	I	98.9	Very high	98.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-69	-40.1	-175.9	-61.3	168.1	0	0	0	111.4	V332 H339 F340 I398 A399 L402 G433 A437	V332-I336 HydrophobicContact CB-CD1 4.06Å; V332-I336 WeakPolarHBondContact O-CB 3.36Å; V332-I336 WeakPolarHBondContact O-CD1 3.3Å; V332-I336 WeakPolarHBondContact O-CG1 3.23Å; V332-I336 PolarHBondContact O-N 2.91Å; I336-H339 PolarHBondContact O-N 3.07Å; I336-F340 HydrophobicContact CG2-CD2 3.56Å; I336-F340 HydrophobicContact CG2-CE2 3.24Å; I336-F340 HydrophobicContact CG2-CZ 4.1Å; I336-F340 WeakPolarHBondContact O-CD2 3.47Å; I336-F340 PolarHBondContact O-N 3.32Å; I336-I398 HydrophobicContact CD1-CG2 4.39Å; I336-A399 HydrophobicContact CD1-CB 4.03Å; I336-A399 HydrophobicContact CG2-CB 4.2Å; I336-L402 HydrophobicContact CB-CD1 3.75Å; I336-L402 HydrophobicContact CG2-CB 4.35Å; I336-L402 HydrophobicContact CG2-CD1 3.64Å; I336-G433 WeakPolarHBondContact CG1-O 3.12Å; I336-A437 HydrophobicContact CD1-CB 4.13Å; I336-A437 HydrophobicContact CG1-CB 3.89Å
337	F	98.9	Very high	98.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.6	-48.4	177.7	179.9	-82.5	0	0	0	111.5	I312 L314 T333 H339 F340 E341 Y348 L353 L402	I312-F337 HydrophobicContact CD1-CE1 4.28Å; I312-F337 HydrophobicContact CD1-CZ 3.95Å; I312-F337 HydrophobicContact CG2-CZ 4.47Å; L314-F337 HydrophobicContact CD1-CB 4.17Å; L314-F337 HydrophobicContact CD1-CD1 4.34Å; L314-F337 HydrophobicContact CD1-CG 4.2Å; L314-F337 HydrophobicContact CD2-CD1 4.38Å; L314-F337 HydrophobicContact CD2-CD2 4.05Å; L314-F337 HydrophobicContact CD2-CE1 4.46Å; L314-F337 HydrophobicContact CD2-CE2 4.14Å; L314-F337 HydrophobicContact CD2-CG 4.18Å; L314-F337 HydrophobicContact CD2-CZ 4.33Å; T333-F337 WeakPolarHBondContact O-CB 3.43Å; T333-F337 PolarHBondContact O-N 3.08Å; F337-H339 VanDerWaalsContact C-N 3.3Å; F337-H339 PolarHBondContact O-N 2.95Å; F337-F340 PolarHBondContact O-N 3.04Å; F337-E341 HydrophobicContact CE1-CG 4.07Å; F337-E341 WeakPolarHBondContact CE1-OE2 3.26Å; F337-E341 HydrophobicContact CZ-CG 4.48Å; F337-E341 PolarHBondContact O-N 2.94Å; F337-E341 VanDerWaalsContact O-N 3.09Å; F337-Y348 AromaticContact CE2-CD1 3.98Å; F337-Y348 HydrophobicContact CE2-CD1 3.98Å; F337-Y348 HydrophobicContact CE2-CD2 4.19Å; F337-Y348 AromaticContact CE2-CG 3.77Å; F337-Y348 HydrophobicContact CE2-CG 3.77Å; F337-Y348 VanDerWaalsContact CZ-CB 3.46Å; F337-Y348 AromaticContact CZ-CD1 3.81Å; F337-Y348 HydrophobicContact CZ-CD1 3.81Å; F337-Y348 AromaticContact CZ-CG 3.71Å; F337-Y348 HydrophobicContact CZ-CG 3.71Å; F337-L353 HydrophobicContact CE2-CD1 4.26Å; F337-L402 HydrophobicContact CB-CD1 4.31Å; F337-L402 HydrophobicContact CB-CD2 4.44Å; F337-L402 HydrophobicContact CD2-CD2 3.97Å
338	D	98.9	Very high	98.6	Very high	37 Å²	37	35.6 Å²	35.6	20%	0.198	19%	0.186	C	C	.	.	H	α-helix	trans	-61.7	-42.5	178.5	-67.7	-18.2	0	0	0	111.1	S308 A309 K334 V335 F340 E341 E342	S308-D338 WeakPolarHBondContact CA-OD1 3.24Å; S308-D338 WeakPolarHBondContact CB-OD1 3.48Å; A309-D338 HydrophobicContact CB-CB 4.5Å; A309-D338 PolarHBondContact N-OD1 3.03Å; K334-D338 WeakPolarHBondContact CD-OD2 3.24Å; K334-D338 VanDerWaalsContact CE-OD2 3.31Å; K334-D338 WeakPolarHBondContact CE-OD2 3.48Å; K334-D338 IonicContact NZ-OD1 2.67Å; K334-D338 PolarHBondContact NZ-OD1 3.11Å; K334-D338 IonicContact NZ-OD2 2.83Å; K334-D338 PolarHBondContact NZ-OD2 2.92Å; K334-D338 VanDerWaalsContact O-CG 3.27Å; K334-D338 PolarHBondContact O-N 2.87Å; V335-D338 PolarHBondContact O-N 3.32Å; D338-F340 PolarHBondContact O-N 2.89Å; D338-E341 PolarHBondContact O-N 3.05Å; D338-E342 PolarHBondContact O-N 3.5Å
339	H	98.8	Very high	98.4	Very high	33 Å²	33	35.7 Å²	35.7	15%	0.153	19%	0.19	C	C	.	.	H	α-helix	trans	-59.1	-46	177.4	-179.7	84.4	0	0	0	111.9	V335 I336 F337 E342 Y343 E436	V335-H339 WeakPolarHBondContact O-CB 3.5Å; V335-H339 PolarHBondContact O-N 3.27Å; V335-H339 VanDerWaalsContact O-N 3.07Å; I336-H339 PolarHBondContact O-N 3.07Å; F337-H339 VanDerWaalsContact C-N 3.3Å; F337-H339 PolarHBondContact O-N 2.95Å; H339-E342 PolarHBondContact O-N 3.16Å; H339-Y343 AromaticContact NE2-CD2 3.78Å; H339-Y343 VanDerWaalsContact O-CB 3.22Å; H339-Y343 WeakPolarHBondContact O-CB 3.47Å; H339-Y343 PolarHBondContact O-N 2.8Å; H339-E436 HydrophobicContact CB-CB 4.42Å; H339-E436 HydrophobicContact CB-CG 3.9Å; H339-E436 IonicContact CE1-OE2 3.94Å; H339-E436 IonicContact ND1-OE2 3.13Å; H339-E436 PolarHBondContact ND1-OE2 2.96Å
340	F	98.9	Very high	98.3	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-71.2	-32.2	-179.3	-72.5	-41.9	0	0	0	113.6	I336 F337 D338 E342 F344 L402 V403 W406 F429	I336-F340 HydrophobicContact CG2-CD2 3.56Å; I336-F340 HydrophobicContact CG2-CE2 3.24Å; I336-F340 HydrophobicContact CG2-CZ 4.1Å; I336-F340 WeakPolarHBondContact O-CD2 3.47Å; I336-F340 PolarHBondContact O-N 3.32Å; F337-F340 PolarHBondContact O-N 3.04Å; D338-F340 PolarHBondContact O-N 2.89Å; F340-E342 VanDerWaalsContact C-N 3.3Å; F340-E342 PolarHBondContact O-N 3.48Å; F340-F344 HydrophobicContact CB-CD2 3.89Å; F340-F344 HydrophobicContact CB-CE2 3.8Å; F340-F344 HydrophobicContact CD1-CD2 4.3Å; F340-F344 AromaticContact CD1-CE2 3.53Å; F340-F344 HydrophobicContact CD1-CE2 3.53Å; F340-F344 AromaticContact CD1-CZ 3.89Å; F340-F344 HydrophobicContact CD1-CZ 3.89Å; F340-F344 HydrophobicContact CE1-CE2 4.31Å; F340-F344 HydrophobicContact CE1-CZ 4.31Å; F340-F344 HydrophobicContact CG-CD2 4.38Å; F340-F344 AromaticContact CG-CE2 3.79Å; F340-F344 HydrophobicContact CG-CE2 3.79Å; F340-F344 WeakPolarHBondContact O-CB 3.37Å; F340-F344 VanDerWaalsContact O-CD2 3.23Å; F340-F344 WeakPolarHBondContact O-CD2 3.42Å; F340-F344 PolarHBondContact O-N 3.26Å; F340-L402 HydrophobicContact CD2-CB 4.14Å; F340-L402 HydrophobicContact CE2-CB 4.31Å; F340-V403 HydrophobicContact CD2-CG2 4.24Å; F340-V403 HydrophobicContact CE1-CG2 4.13Å; F340-V403 HydrophobicContact CE2-CG2 3.47Å; F340-V403 VanDerWaalsContact CE2-CG2 3.47Å; F340-V403 HydrophobicContact CZ-CG2 3.43Å; F340-V403 VanDerWaalsContact CZ-CG2 3.43Å; F340-W406 HydrophobicContact CB-CE3 4.21Å; F340-W406 HydrophobicContact CB-CH2 3.85Å; F340-W406 HydrophobicContact CB-CZ2 4.46Å; F340-W406 HydrophobicContact CB-CZ3 3.7Å; F340-F429 HydrophobicContact CE1-CB 4.13Å; F340-F429 HydrophobicContact CE1-CD1 4.42Å; F340-F429 HydrophobicContact CZ-CB 4.16Å; F340-F429 WeakPolarHBondContact CZ-O 3.4Å
341	E	98.5	Very high	98.3	Very high	22 Å²	22	39.2 Å²	39.2	10%	0.103	21%	0.214	C	C	.	.	H	α-helix	trans	-58.4	-43.8	169.6	-84.8	-163.7	126.3	0	0	111.5	S310 F337 D338 N345 M346 S347 Y348 W406	S310-E341 VanDerWaalsContact CB-OE2 3.25Å; S310-E341 WeakPolarHBondContact CB-OE2 3.05Å; S310-E341 PolarHBondContact OG-OE1 2.86Å; S310-E341 PolarHBondContact OG-OE2 3.45Å; F337-E341 HydrophobicContact CE1-CG 4.07Å; F337-E341 WeakPolarHBondContact CE1-OE2 3.26Å; F337-E341 HydrophobicContact CZ-CG 4.48Å; F337-E341 PolarHBondContact O-N 2.94Å; F337-E341 VanDerWaalsContact O-N 3.09Å; D338-E341 PolarHBondContact O-N 3.05Å; E341-N345 WeakPolarHBondContact O-CA 3.45Å; E341-N345 PolarHBondContact O-N 3.24Å; E341-N345 VanDerWaalsContact O-N 3.09Å; E341-M346 PolarHBondContact O-N 2.94Å; E341-S347 WeakPolarHBondContact OE1-CA 3.44Å; E341-Y348 PolarHBondContact OE1-N 3.38Å; E341-W406 HydrophobicContact CB-CZ2 4.41Å; E341-W406 HydrophobicContact CG-CH2 4.13Å; E341-W406 HydrophobicContact CG-CZ2 3.67Å
342	E	98.6	Very high	98.3	Very high	151 Å²	151	35.9 Å²	35.9	71%	0.706	20%	0.196	S	C	*	.	H	α-helix	trans	-71.3	-48.6	177.6	-177.5	175.8	176.6	0	0	112.2	D338 H339 F340 F344 N345 R510	D338-E342 PolarHBondContact O-N 3.5Å; H339-E342 PolarHBondContact O-N 3.16Å; F340-E342 VanDerWaalsContact C-N 3.3Å; F340-E342 PolarHBondContact O-N 3.48Å; E342-F344 PolarHBondContact O-N 2.86Å; E342-N345 PolarHBondContact O-N 3.37Å; E342-N345 VanDerWaalsContact O-N 3.08Å; E342-R510 PolarHBondContact O-NH2 3.27Å
343	Y	98.6	Very high	98.3	Very high	33 Å²	33	35.6 Å²	35.6	13%	0.129	19%	0.194	C	C	.	.	H	α-helix	trans	-61.3	-46.3	-176.6	-171.7	-80.8	0	0	0	110.8	H339 N345 F429 R506 R510	H339-Y343 AromaticContact NE2-CD2 3.78Å; H339-Y343 VanDerWaalsContact O-CB 3.22Å; H339-Y343 WeakPolarHBondContact O-CB 3.47Å; H339-Y343 PolarHBondContact O-N 2.8Å; Y343-N345 VanDerWaalsContact C-N 3.29Å; Y343-N345 PolarHBondContact O-N 3.35Å; Y343-F429 HydrophobicContact CD1-CE1 4.22Å; Y343-F429 HydrophobicContact CE1-CD1 4.3Å; Y343-F429 AromaticContact CE1-CE1 3.44Å; Y343-F429 HydrophobicContact CE1-CE1 3.44Å; Y343-F429 VanDerWaalsContact CE1-CE1 3.44Å; Y343-F429 HydrophobicContact CE1-CZ 4.1Å; Y343-F429 AromaticContact CZ-CE1 3.88Å; Y343-R506 HydrophobicContact CD1-CG 4.12Å; Y343-R506 HydrophobicContact CE1-CB 4.14Å; Y343-R506 HydrophobicContact CE1-CG 3.68Å; Y343-R506 HydrophobicContact CE2-CG 4.23Å; Y343-R510 VanDerWaalsContact O-CZ 3.25Å; Y343-R510 PolarHBondContact O-NE 2.86Å; Y343-R510 PolarHBondContact O-NH2 3.49Å
344	F	98.7	Very high	98.3	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.009	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-4.5	176.9	-59	-48.5	0	0	0	113.8	F340 E342 M346 W406 F407 F429 R510 L513	F340-F344 HydrophobicContact CB-CD2 3.89Å; F340-F344 HydrophobicContact CB-CE2 3.8Å; F340-F344 HydrophobicContact CD1-CD2 4.3Å; F340-F344 AromaticContact CD1-CE2 3.53Å; F340-F344 HydrophobicContact CD1-CE2 3.53Å; F340-F344 AromaticContact CD1-CZ 3.89Å; F340-F344 HydrophobicContact CD1-CZ 3.89Å; F340-F344 HydrophobicContact CE1-CE2 4.31Å; F340-F344 HydrophobicContact CE1-CZ 4.31Å; F340-F344 HydrophobicContact CG-CD2 4.38Å; F340-F344 AromaticContact CG-CE2 3.79Å; F340-F344 HydrophobicContact CG-CE2 3.79Å; F340-F344 WeakPolarHBondContact O-CB 3.37Å; F340-F344 VanDerWaalsContact O-CD2 3.23Å; F340-F344 WeakPolarHBondContact O-CD2 3.42Å; F340-F344 PolarHBondContact O-N 3.26Å; E342-F344 PolarHBondContact O-N 2.86Å; F344-M346 HydrophobicContact CB-CB 4.47Å; F344-M346 PolarHBondContact O-N 3.36Å; F344-M346 VanDerWaalsContact O-N 3.17Å; F344-W406 HydrophobicContact CB-CG 4.49Å; F344-W406 HydrophobicContact CD2-CB 4.13Å; F344-W406 AromaticContact CD2-CD2 3.71Å; F344-W406 HydrophobicContact CD2-CD2 3.71Å; F344-W406 HydrophobicContact CD2-CE3 4.1Å; F344-W406 AromaticContact CD2-CG 3.7Å; F344-W406 HydrophobicContact CD2-CG 3.7Å; F344-W406 HydrophobicContact CE2-CB 4.42Å; F344-W406 HydrophobicContact CE2-CD2 4.27Å; F344-W406 HydrophobicContact CE2-CE3 4.26Å; F344-W406 HydrophobicContact CE2-CG 4.34Å; F344-W406 HydrophobicContact CG-CG 4.34Å; F344-F407 AromaticContact CD1-CE2 3.95Å; F344-F407 HydrophobicContact CD1-CE2 3.95Å; F344-F407 HydrophobicContact CE1-CD2 4.39Å; F344-F407 AromaticContact CE1-CE2 3.5Å; F344-F407 HydrophobicContact CE1-CE2 3.5Å; F344-F407 HydrophobicContact CE1-CZ 4.33Å; F344-F407 HydrophobicContact CE2-CE2 4.32Å; F344-F407 HydrophobicContact CZ-CD2 4.15Å; F344-F407 AromaticContact CZ-CE2 3.71Å; F344-F407 HydrophobicContact CZ-CE2 3.71Å; F344-F429 HydrophobicContact CE1-CD1 4.2Å; F344-F429 HydrophobicContact CE1-CD2 4.36Å; F344-F429 AromaticContact CE1-CE1 3.85Å; F344-F429 HydrophobicContact CE1-CE1 3.85Å; F344-F429 AromaticContact CE1-CE2 3.99Å; F344-F429 HydrophobicContact CE1-CE2 3.99Å; F344-F429 HydrophobicContact CE1-CG 4.48Å; F344-F429 AromaticContact CE1-CZ 3.73Å; F344-F429 HydrophobicContact CE1-CZ 3.73Å; F344-F429 AromaticContact CZ-CD1 3.97Å; F344-F429 HydrophobicContact CZ-CD1 3.97Å; F344-F429 HydrophobicContact CZ-CD2 4.04Å; F344-F429 HydrophobicContact CZ-CE1 4.1Å; F344-F429 HydrophobicContact CZ-CE2 4.14Å; F344-F429 AromaticContact CZ-CG 3.98Å; F344-F429 HydrophobicContact CZ-CG 3.98Å; F344-F429 HydrophobicContact CZ-CZ 4.18Å; F344-R510 WeakPolarHBondContact O-CG 3.29Å; F344-L513 HydrophobicContact CB-CD1 3.8Å; F344-L513 HydrophobicContact CD1-CD1 3.91Å; F344-L513 HydrophobicContact CG-CD1 3.86Å
345	N	98.2	Very high	98.3	Very high	125 Å²	125	33.3 Å²	33.3	67%	0.668	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.8	44.6	-178.4	-172.6	32.9	0	0	0	111.8	E341 E342 Y343 R510	E341-N345 WeakPolarHBondContact O-CA 3.45Å; E341-N345 PolarHBondContact O-N 3.24Å; E341-N345 VanDerWaalsContact O-N 3.09Å; E342-N345 PolarHBondContact O-N 3.37Å; E342-N345 VanDerWaalsContact O-N 3.08Å; Y343-N345 VanDerWaalsContact C-N 3.29Å; Y343-N345 PolarHBondContact O-N 3.35Å; N345-R510 HydrophobicContact CB-CG 4.39Å
346	M	98.3	Very high	98.3	Very high	24 Å²	24	30.4 Å²	30.4	12%	0.118	17%	0.167	C	C	.	.			trans	-149.9	116.9	-173.5	178.2	172.3	-68.8	0	0	108.9	E341 F344 W406 I410 L513 K514 Y517	E341-M346 PolarHBondContact O-N 2.94Å; F344-M346 HydrophobicContact CB-CB 4.47Å; F344-M346 PolarHBondContact O-N 3.36Å; F344-M346 VanDerWaalsContact O-N 3.17Å; M346-W406 PolarHBondContact O-NE1 3.18Å; M346-I410 HydrophobicContact CG-CD1 4.39Å; M346-I410 HydrophobicContact SD-CD1 3.72Å; M346-I410 HydrophobicContact SD-CG2 4.07Å; M346-L513 HydrophobicContact CE-CB 3.69Å; M346-L513 HydrophobicContact SD-CB 4.14Å; M346-K514 HydrophobicContact CE-CB 4.48Å; M346-Y517 HydrophobicContact CE-CD2 3.82Å; M346-Y517 HydrophobicContact CE-CE2 4.27Å; M346-Y517 HydrophobicContact CG-CE2 4.44Å; M346-Y517 HydrophobicContact SD-CD2 3.79Å; M346-Y517 HydrophobicContact SD-CE2 3.81Å
347	S	97.3	Very high	98.3	Very high	89 Å²	89	30.5 Å²	30.5	62%	0.622	17%	0.167	S	C	*	.			trans	-62.4	143.3	176.8	-56	0	0	0	0	111.5	E341	E341-S347 WeakPolarHBondContact OE1-CA 3.44Å
348	Y	97.8	Very high	98.2	Very high	12 Å²	12	30.5 Å²	30.5	5%	0.047	17%	0.167	C	C	.	.			trans	-63.2	142.9	170.8	175.9	-109.7	0	0	0	110.6	I312 F337 E341 I350 K352 L353 W369 G370 Q405	I312-Y348 HydrophobicContact CD1-CD1 3.86Å; I312-Y348 HydrophobicContact CG2-CD1 4.4Å; F337-Y348 AromaticContact CE2-CD1 3.98Å; F337-Y348 HydrophobicContact CE2-CD1 3.98Å; F337-Y348 HydrophobicContact CE2-CD2 4.19Å; F337-Y348 AromaticContact CE2-CG 3.77Å; F337-Y348 HydrophobicContact CE2-CG 3.77Å; F337-Y348 VanDerWaalsContact CZ-CB 3.46Å; F337-Y348 AromaticContact CZ-CD1 3.81Å; F337-Y348 HydrophobicContact CZ-CD1 3.81Å; F337-Y348 AromaticContact CZ-CG 3.71Å; F337-Y348 HydrophobicContact CZ-CG 3.71Å; E341-Y348 PolarHBondContact OE1-N 3.38Å; Y348-I350 HydrophobicContact CD1-CB 4.46Å; Y348-I350 WeakPolarHBondContact CD1-O 3.5Å; Y348-I350 HydrophobicContact CE1-CB 3.61Å; Y348-I350 HydrophobicContact CE1-CG1 4.46Å; Y348-I350 WeakPolarHBondContact CE1-O 3.31Å; Y348-K352 WeakPolarHBondContact CE1-O 3.13Å; Y348-K352 PolarHBondContact OH-O 3.01Å; Y348-L353 HydrophobicContact CE1-CB 4.22Å; Y348-L353 HydrophobicContact CE1-CD1 4.42Å; Y348-L353 HydrophobicContact CE2-CD1 4.03Å; Y348-W369 AromaticContact CE2-CD1 3.75Å; Y348-W369 AromaticContact CE2-NE1 3.42Å; Y348-G370 WeakPolarHBondContact OH-CA 3.47Å; Y348-G370 PolarHBondContact OH-N 3.28Å; Y348-Q405 HydrophobicContact CD2-CB 4Å; Y348-Q405 HydrophobicContact CE2-CB 3.91Å; Y348-Q405 HydrophobicContact CE2-CG 4.15Å
349	S	94.1	Very high	97.8	Very high	27 Å²	27	28.7 Å²	28.7	19%	0.189	16%	0.158	C	C	.	.	S	Bend	trans	-90.1	-4.6	-162.1	-60	0	0	0	0	115.2	I287 Y517 F518	I287-S349 VanDerWaalsContact CD1-CB 3.41Å; S349-Y517 PolarHBondContact OG-OH 3.01Å; S349-F518 WeakPolarHBondContact OG-CE1 3.42Å
350	I	97.5	Very high	97.3	Very high	6 Å²	6	28.2 Å²	28.2	3%	0.031	16%	0.156	C	C	.	.	S	Bend	trans	-124.6	147.1	-177.3	-53.6	176.2	0	0	0	109.4	M265 I287 Y348 K352 W369	M265-I350 HydrophobicContact CE-CG1 4.49Å; M265-I350 HydrophobicContact CE-CG2 4Å; M265-I350 HydrophobicContact SD-CD1 3.81Å; M265-I350 HydrophobicContact SD-CG1 3.97Å; M265-I350 HydrophobicContact SD-CG2 3.83Å; I287-I350 HydrophobicContact CD1-CD1 4.48Å; I287-I350 HydrophobicContact CD1-CG1 4.05Å; Y348-I350 HydrophobicContact CD1-CB 4.46Å; Y348-I350 WeakPolarHBondContact CD1-O 3.5Å; Y348-I350 HydrophobicContact CE1-CB 3.61Å; Y348-I350 HydrophobicContact CE1-CG1 4.46Å; Y348-I350 WeakPolarHBondContact CE1-O 3.31Å; I350-K352 HydrophobicContact CG2-CG 4.41Å; I350-K352 PolarHBondContact O-N 3.11Å; I350-K352 VanDerWaalsContact O-N 3.11Å; I350-W369 HydrophobicContact CD1-CB 4.3Å; I350-W369 VanDerWaalsContact CD1-CD1 3.42Å; I350-W369 HydrophobicContact CD1-CD2 4.21Å; I350-W369 HydrophobicContact CD1-CG 3.7Å
351	S	97.8	Very high	97	Very high	69 Å²	69	28.3 Å²	28.3	48%	0.483	16%	0.156	S	C	.	.	S	Bend	trans	-78.2	11.4	-176.9	68.8	0	0	0	0	114.9	P313	P313-S351 VanDerWaalsContact CD-O 3.24Å; P313-S351 WeakPolarHBondContact CD-O 3.38Å
352	K	98.7	Very high	96.2	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.017	16%	0.156	C	C	.	.			trans	-158.9	155.8	175.4	66.9	91.2	175.9	-177.5	0	110.4	S263 N264 P266 P313 Y348 I350 D354 G370	S263-K352 PolarHBondContact O-NZ 2.99Å; N264-K352 WeakPolarHBondContact O-CE 3.06Å; N264-K352 PolarHBondContact O-NZ 3.17Å; P266-K352 HydrophobicContact CB-CG 4.18Å; P313-K352 HydrophobicContact CG-CB 3.92Å; Y348-K352 WeakPolarHBondContact CE1-O 3.13Å; Y348-K352 PolarHBondContact OH-O 3.01Å; I350-K352 HydrophobicContact CG2-CG 4.41Å; I350-K352 PolarHBondContact O-N 3.11Å; I350-K352 VanDerWaalsContact O-N 3.11Å; K352-D354 WeakPolarHBondContact CD-OD2 3.42Å; K352-D354 WeakPolarHBondContact CE-OD2 3.39Å; K352-D354 IonicContact NZ-OD2 3.81Å; K352-D354 PolarHBondContact NZ-OD2 2.84Å; K352-G370 PolarHBondContact NZ-O 3.03Å
353	L	98.9	Very high	95.8	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	116.8	167.3	-177.9	130.3	0	0	0	109.8	P313 L314 R315 T333 F337 Y348 K355 I372 L402 Q405	P313-L353 PolarHBondContact O-N 3.47Å; L314-L353 WeakPolarHBondContact CA-O 3.35Å; L314-L353 HydrophobicContact CD2-CB 3.85Å; L314-L353 HydrophobicContact CD2-CD2 4.24Å; R315-L353 PolarHBondContact N-O 3.03Å; T333-L353 HydrophobicContact CG2-CD2 4.21Å; F337-L353 HydrophobicContact CE2-CD1 4.26Å; Y348-L353 HydrophobicContact CE1-CB 4.22Å; Y348-L353 HydrophobicContact CE1-CD1 4.42Å; Y348-L353 HydrophobicContact CE2-CD1 4.03Å; L353-K355 HydrophobicContact CD2-CG 4.14Å; L353-I372 HydrophobicContact CD1-CD1 4.05Å; L353-I372 HydrophobicContact CD2-CD1 4.3Å; L353-I372 HydrophobicContact CG-CD1 4.37Å; L353-L402 HydrophobicContact CD1-CD2 4.21Å; L353-L402 HydrophobicContact CD2-CD2 4.06Å; L353-Q405 HydrophobicContact CD1-CG 3.98Å
354	D	98.9	Very high	95.4	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.021	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	145.2	176.3	-58.5	-32	0	0	0	109.4	R315 Y317 K352 G370 L371 I372	R315-D354 WeakPolarHBondContact CB-OD1 3.31Å; R315-D354 CarbonylContact O-C 3.45Å; R315-D354 WeakPolarHBondContact O-CA 3.36Å; Y317-D354 HydrophobicContact CD2-CB 4.08Å; Y317-D354 HydrophobicContact CE2-CB 3.81Å; K352-D354 WeakPolarHBondContact CD-OD2 3.42Å; K352-D354 WeakPolarHBondContact CE-OD2 3.39Å; K352-D354 IonicContact NZ-OD2 3.81Å; K352-D354 PolarHBondContact NZ-OD2 2.84Å; D354-G370 PolarHBondContact N-O 3.36Å; D354-L371 HydrophobicContact CB-CD1 3.75Å; D354-L371 CarbonylContact O-C 3.59Å; D354-L371 WeakPolarHBondContact O-CA 3.39Å; D354-I372 PolarHBondContact O-N 2.88Å
355	K	98.9	Very high	95.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.3	169.3	-60	-176.4	175.6	-78.4	0	108.1	R315 I316 Y317 T333 L353 I372 Y374 L379	R315-K355 PolarHBondContact O-N 2.78Å; I316-K355 CarbonylContact C-O 3.55Å; I316-K355 WeakPolarHBondContact CA-O 3.44Å; I316-K355 HydrophobicContact CD1-CB 3.79Å; I316-K355 HydrophobicContact CD1-CD 3.66Å; I316-K355 HydrophobicContact CD1-CG 4Å; Y317-K355 PolarHBondContact N-O 2.83Å; T333-K355 HydrophobicContact CG2-CD 4.14Å; T333-K355 VanDerWaalsContact CG2-CE 3.42Å; T333-K355 WeakPolarHBondContact OG1-CE 3.4Å; L353-K355 HydrophobicContact CD2-CG 4.14Å; K355-I372 CarbonylContact C-O 3.51Å; K355-I372 VanDerWaalsContact CA-O 3.23Å; K355-I372 WeakPolarHBondContact CA-O 3.41Å; K355-I372 HydrophobicContact CG-CB 4.22Å; K355-I372 HydrophobicContact CG-CD1 4.32Å; K355-Y374 HydrophobicContact CB-CD2 4.27Å; K355-Y374 HydrophobicContact CB-CE2 3.82Å; K355-Y374 HydrophobicContact CD-CE2 3.9Å; K355-Y374 HydrophobicContact CG-CE2 3.93Å; K355-Y374 PolarHBondContact NZ-OH 2.85Å; K355-L379 HydrophobicContact CB-CD1 4.39Å; K355-L379 HydrophobicContact CB-CD2 4.32Å; K355-L379 HydrophobicContact CD-CD1 4.34Å
356	I	98.9	Very high	95.4	Very high	0 Å²	0	17 Å²	17	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	131.3	-177.5	-172.5	167.9	0	0	0	112.4	I223 L262 F301 Y317 I358 L371 I372 T373 Y374	I223-I356 HydrophobicContact CD1-CD1 4.05Å; L262-I356 HydrophobicContact CD1-CD1 4.25Å; F301-I356 HydrophobicContact CD2-CD1 3.8Å; F301-I356 HydrophobicContact CD2-CG1 3.84Å; F301-I356 HydrophobicContact CE2-CD1 4.11Å; F301-I356 HydrophobicContact CE2-CG1 3.99Å; Y317-I356 WeakPolarHBondContact O-CA 3.24Å; I356-I358 HydrophobicContact CD1-CD1 4.15Å; I356-I358 HydrophobicContact CG1-CD1 4.02Å; I356-I358 HydrophobicContact CG2-CD1 3.92Å; I356-I358 HydrophobicContact CG2-CG1 4.47Å; I356-I358 PolarHBondContact O-N 2.94Å; I356-L371 HydrophobicContact CG2-CD1 4.08Å; I356-I372 PolarHBondContact N-O 2.97Å; I356-T373 HydrophobicContact CG2-CG2 3.71Å; I356-Y374 PolarHBondContact O-N 3.1Å
357	A	98.2	Very high	95.4	Very high	1 Å²	1	16 Å²	16	1%	0.008	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	106	174.6	0	0	0	0	0	111.1	F301 Y317 Y374 E376 L379 L380	F301-A357 VanDerWaalsContact CE2-O 3.28Å; F301-A357 WeakPolarHBondContact CE2-O 3.18Å; Y317-A357 PolarHBondContact O-N 3.23Å; Y317-A357 VanDerWaalsContact O-N 3.17Å; A357-Y374 CarbonylContact C-O 3.49Å; A357-Y374 WeakPolarHBondContact CA-O 3.39Å; A357-E376 HydrophobicContact CB-CG 4.14Å; A357-L379 HydrophobicContact CB-CD2 3.99Å; A357-L380 HydrophobicContact CB-CD1 4.03Å; A357-L380 HydrophobicContact CB-CD2 4.23Å; A357-L380 HydrophobicContact CB-CG 3.99Å
358	I	97.1	Very high	95.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	126.8	177.2	-51.6	-59.3	0	0	0	109.1	V212 I223 A225 I356 D360 F361 T373 Y374	V212-I358 HydrophobicContact CG2-CG2 3.9Å; I223-I358 HydrophobicContact CD1-CD1 3.84Å; A225-I358 HydrophobicContact CB-CD1 3.84Å; A225-I358 HydrophobicContact CB-CG1 4.45Å; I356-I358 HydrophobicContact CD1-CD1 4.15Å; I356-I358 HydrophobicContact CG1-CD1 4.02Å; I356-I358 HydrophobicContact CG2-CD1 3.92Å; I356-I358 HydrophobicContact CG2-CG1 4.47Å; I356-I358 PolarHBondContact O-N 2.94Å; I358-D360 VanDerWaalsContact C-N 3.29Å; I358-D360 WeakPolarHBondContact CG2-O 3.19Å; I358-D360 PolarHBondContact O-N 3.44Å; I358-F361 HydrophobicContact CB-CB 4.22Å; I358-F361 HydrophobicContact CB-CD2 4.03Å; I358-F361 HydrophobicContact CB-CG 4.39Å; I358-F361 HydrophobicContact CG1-CD2 4.19Å; I358-F361 HydrophobicContact CG2-CD2 4.37Å; I358-T373 HydrophobicContact CD1-CG2 4.45Å; I358-T373 HydrophobicContact CG1-CG2 4.13Å; I358-Y374 PolarHBondContact N-O 3.44Å
359	P	91.4	Very high	95.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	8%	0.079	C	C	.	.	S	Bend	trans	-64.2	-27.1	-173.6	-25.1	34.2	0	0	0	115.6	V212 Y214 F301 E376 R858	V212-P359 HydrophobicContact CG1-CB 3.89Å; V212-P359 HydrophobicContact CG1-CG 4.29Å; Y214-P359 HydrophobicContact CD1-CG 4.16Å; Y214-P359 HydrophobicContact CG-CG 4.1Å; F301-P359 HydrophobicContact CZ-CG 4.3Å; P359-E376 WeakPolarHBondContact CA-OE1 3.23Å; P359-R858 VanDerWaalsContact O-CD 3.28Å; P359-R858 WeakPolarHBondContact O-CD 3.17Å; P359-R858 PolarHBondContact O-NH1 2.9Å
360	D	88.4	Confident	95.7	Very high	23 Å²	23	9.9 Å²	9.9	12%	0.123	7%	0.07	C	C	.	.	S	Bend	trans	-132.8	108.8	174	-159.8	-13.4	0	0	0	108.5	Y210 V212 I358 S859 Q860	Y210-D360 PolarHBondContact OH-O 2.91Å; Y210-D360 VanDerWaalsContact OH-O 3.04Å; V212-D360 HydrophobicContact CB-CB 4.46Å; V212-D360 HydrophobicContact CG1-CB 3.65Å; V212-D360 HydrophobicContact CG2-CB 4Å; V212-D360 WeakPolarHBondContact CG2-O 3.42Å; I358-D360 VanDerWaalsContact C-N 3.29Å; I358-D360 WeakPolarHBondContact CG2-O 3.19Å; I358-D360 PolarHBondContact O-N 3.44Å; D360-S859 PolarHBondContact OD2-N 2.85Å; D360-Q860 WeakPolarHBondContact OD1-CB 3.37Å; D360-Q860 VanDerWaalsContact OD1-CG 3.24Å; D360-Q860 WeakPolarHBondContact OD1-CG 3.3Å; D360-Q860 PolarHBondContact OD1-N 3.15Å; D360-Q860 VanDerWaalsContact OD1-N 3.11Å
361	F	91.6	Very high	95.8	Very high	1 Å²	1	9.6 Å²	9.6	0%	0.004	7%	0.068	C	C	.	.			trans	-137.9	124.9	-169.1	-164.7	-113	0	0	0	110.6	Y210 D227 I358 T363 M366 T373 R375 Q860	Y210-F361 WeakPolarHBondContact OH-CD2 3.45Å; D227-F361 HydrophobicContact CB-CE2 4.05Å; D227-F361 WeakPolarHBondContact OD1-CZ 3.06Å; I358-F361 HydrophobicContact CB-CB 4.22Å; I358-F361 HydrophobicContact CB-CD2 4.03Å; I358-F361 HydrophobicContact CB-CG 4.39Å; I358-F361 HydrophobicContact CG1-CD2 4.19Å; I358-F361 HydrophobicContact CG2-CD2 4.37Å; F361-T363 VanDerWaalsContact C-N 3.28Å; F361-T363 WeakPolarHBondContact CD1-O 3.32Å; F361-T363 WeakPolarHBondContact CE1-OG1 3.4Å; F361-T363 PolarHBondContact O-N 3.19Å; F361-M366 HydrophobicContact CE1-CB 4.5Å; F361-M366 HydrophobicContact CZ-CB 3.88Å; F361-T373 VanDerWaalsContact CZ-OG1 3.29Å; F361-T373 WeakPolarHBondContact CZ-OG1 3.48Å; F361-R375 HydrophobicContact CB-CB 4.34Å; F361-R375 HydrophobicContact CD1-CB 4.41Å; F361-R375 PolarHBondContact O-NH2 2.73Å; F361-R375 VanDerWaalsContact O-NH2 3.14Å; F361-Q860 WeakPolarHBondContact O-CB 3.43Å; F361-Q860 PolarHBondContact O-OE1 2.88Å
362	G	82.6	Confident	95.8	Very high	10 Å²	10	6.3 Å²	6.3	10%	0.103	5%	0.045	C	C	.	.	S	Bend	trans	-64.6	-28.8	-169.7	0	0	0	0	0	114.3	N900	G362-N900 PolarHBondContact O-ND2 2.97Å
363	T	89.1	Confident	95.8	Very high	41 Å²	41	6.1 Å²	6.1	25%	0.252	5%	0.045	S	C	.	.	S	Bend	trans	-116.2	-166.2	-178.3	65.2	0	0	0	0	111.6	F361 A365 R375	F361-T363 VanDerWaalsContact C-N 3.28Å; F361-T363 WeakPolarHBondContact CD1-O 3.32Å; F361-T363 WeakPolarHBondContact CE1-OG1 3.4Å; F361-T363 PolarHBondContact O-N 3.19Å; T363-A365 PolarHBondContact OG1-O 3.29Å; T363-R375 PolarHBondContact O-NE 3.47Å
364	G	91.4	Very high	95.8	Very high	25 Å²	25	6.1 Å²	6.1	26%	0.258	4%	0.044	S	C	.	.	S	Bend	trans	-79.8	-51.9	175.9	0	0	0	0	0	112.3	R375 N378	G364-R375 WeakPolarHBondContact O-CB 3.32Å; G364-R375 PolarHBondContact O-N 2.87Å; G364-N378 VanDerWaalsContact C-ND2 3.34Å; G364-N378 VanDerWaalsContact CA-ND2 3.28Å; G364-N378 WeakPolarHBondContact CA-ND2 3.36Å; G364-N378 PolarHBondContact O-ND2 3.39Å
365	A	97.9	Very high	95.7	Very high	15 Å²	15	7.4 Å²	7.4	12%	0.124	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	172.9	175.2	0	0	0	0	0	108.2	T363 T373 Y374 V397 E401	T363-A365 PolarHBondContact OG1-O 3.29Å; A365-T373 CarbonylContact C-O 3.43Å; A365-T373 WeakPolarHBondContact CA-O 3.33Å; A365-T373 WeakPolarHBondContact CB-O 3.31Å; A365-Y374 HydrophobicContact CB-CD1 3.55Å; A365-Y374 HydrophobicContact CB-CE1 3.77Å; A365-Y374 HydrophobicContact CB-CG 4.02Å; A365-V397 HydrophobicContact CB-CG1 3.65Å; A365-E401 HydrophobicContact CB-CG 3.75Å; A365-E401 VanDerWaalsContact CB-OE1 3.31Å; A365-E401 WeakPolarHBondContact CB-OE1 3.44Å
366	M	98.6	Very high	95.7	Very high	4 Å²	4	7.5 Å²	7.5	2%	0.02	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	130.4	177	178.8	68	-142.8	0	0	110.2	E229 Y292 L293 F361 N368 I372 T373 E401	E229-M366 HydrophobicContact CB-CE 3.64Å; E229-M366 HydrophobicContact CB-SD 3.48Å; E229-M366 WeakPolarHBondContact CB-SD 3.33Å; E229-M366 HydrophobicContact CG-CE 4.26Å; E229-M366 HydrophobicContact CG-SD 4.43Å; Y292-M366 HydrophobicContact CD2-CE 3.49Å; Y292-M366 VanDerWaalsContact CD2-CE 3.49Å; Y292-M366 HydrophobicContact CE2-CE 3.65Å; L293-M366 HydrophobicContact CD2-CE 4.1Å; F361-M366 HydrophobicContact CE1-CB 4.5Å; F361-M366 HydrophobicContact CZ-CB 3.88Å; M366-N368 WeakPolarHBondContact CG-ND2 3.21Å; M366-N368 PolarHBondContact O-N 3.5Å; M366-I372 WeakPolarHBondContact O-CA 3.42Å; M366-I372 VanDerWaalsContact O-CG2 3.25Å; M366-I372 WeakPolarHBondContact O-CG2 3.43Å; M366-T373 WeakPolarHBondContact CB-OG1 3.49Å; M366-T373 PolarHBondContact N-O 2.86Å; M366-T373 PolarHBondContact O-N 3.05Å; M366-E401 VanDerWaalsContact C-OE2 3.27Å
367	E	98.5	Very high	95.5	Very high	4 Å²	4	8.9 Å²	8.9	2%	0.019	6%	0.058	C	C	.	.			trans	-79.3	14.3	-164.6	68.7	-99.7	-145	0	0	115.8	L293 W369 E401 H404 Q405 N409	L293-E367 HydrophobicContact CD2-CG 3.7Å; E367-W369 PolarHBondContact O-N 3.02Å; E367-W369 VanDerWaalsContact O-N 3.16Å; E367-E401 VanDerWaalsContact CA-OE2 3.24Å; E367-E401 WeakPolarHBondContact CA-OE2 3.32Å; E367-E401 WeakPolarHBondContact CB-OE2 3.45Å; E367-E401 PolarHBondContact N-OE2 3.02Å; E367-H404 HydrophobicContact CB-CB 3.29Å; E367-H404 HydrophobicContact CG-CB 3.55Å; E367-H404 IonicContact OE1-CE1 3.21Å; E367-H404 IonicContact OE1-CG 2.78Å; E367-H404 IonicContact OE1-ND1 3.17Å; E367-H404 IonicContact OE2-CD2 2.74Å; E367-Q405 PolarHBondContact O-NE2 3.16Å; E367-N409 WeakPolarHBondContact CG-OD1 3.23Å; E367-N409 PolarHBondContact O-ND2 2.82Å
368	N	98.8	Very high	95.5	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.06	C	C	.	.			trans	-31.5	117.6	-178.7	-69.8	-56.3	0	0	0	112	C295 M366 G370 L371 I372 T373	C295-N368 HydrophobicContact CB-CB 3.46Å; C295-N368 VanDerWaalsContact CB-CB 3.46Å; C295-N368 VanDerWaalsContact CB-CG 3.48Å; M366-N368 WeakPolarHBondContact CG-ND2 3.21Å; M366-N368 PolarHBondContact O-N 3.5Å; N368-G370 PolarHBondContact O-N 3.33Å; N368-L371 WeakPolarHBondContact CB-O 3.47Å; N368-L371 CarbonylContact O-C 3.53Å; N368-L371 VanDerWaalsContact O-C 3.22Å; N368-L371 PolarHBondContact O-N 3.16Å; N368-I372 PolarHBondContact O-N 2.6Å; N368-T373 PolarHBondContact ND2-OG1 3.1Å; N368-T373 VanDerWaalsContact ND2-OG1 3.12Å
369	W	98.5	Very high	95.6	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	113.2	-160.7	-157.6	-9.2	0	0	0	112.1	N264 I287 M289 Y348 I350 E367 L371 Q405 N409 I410 F518	N264-W369 WeakPolarHBondContact CA-O 3Å; N264-W369 WeakPolarHBondContact CB-O 3.34Å; N264-W369 PolarHBondContact ND2-N 3.39Å; N264-W369 PolarHBondContact ND2-O 2.74Å; I287-W369 HydrophobicContact CD1-CD2 4.03Å; I287-W369 HydrophobicContact CD1-CE3 4.04Å; I287-W369 HydrophobicContact CD1-CH2 3.3Å; I287-W369 HydrophobicContact CD1-CZ2 3.27Å; I287-W369 HydrophobicContact CD1-CZ3 3.7Å; I287-W369 HydrophobicContact CG1-CE3 4.26Å; I287-W369 HydrophobicContact CG1-CH2 4.04Å; I287-W369 HydrophobicContact CG1-CZ2 4.39Å; I287-W369 HydrophobicContact CG1-CZ3 3.96Å; M289-W369 HydrophobicContact CB-CE3 3.73Å; M289-W369 HydrophobicContact CB-CZ3 4.01Å; M289-W369 HydrophobicContact SD-CE3 4.49Å; Y348-W369 AromaticContact CE2-CD1 3.75Å; Y348-W369 AromaticContact CE2-NE1 3.42Å; I350-W369 HydrophobicContact CD1-CB 4.3Å; I350-W369 VanDerWaalsContact CD1-CD1 3.42Å; I350-W369 HydrophobicContact CD1-CD2 4.21Å; I350-W369 HydrophobicContact CD1-CG 3.7Å; E367-W369 PolarHBondContact O-N 3.02Å; E367-W369 VanDerWaalsContact O-N 3.16Å; W369-L371 VanDerWaalsContact C-N 3.3Å; W369-L371 PolarHBondContact O-N 3.06Å; W369-Q405 VanDerWaalsContact CD1-OE1 3.29Å; W369-N409 HydrophobicContact CD2-CB 3.59Å; W369-N409 HydrophobicContact CE3-CB 3.76Å; W369-N409 HydrophobicContact CG-CB 3.97Å; W369-N409 HydrophobicContact CH2-CB 4.24Å; W369-N409 HydrophobicContact CZ2-CB 4.09Å; W369-N409 HydrophobicContact CZ3-CB 4.1Å; W369-N409 VanDerWaalsContact CZ3-O 3.24Å; W369-N409 WeakPolarHBondContact CZ3-O 3.37Å; W369-I410 HydrophobicContact CH2-CB 4.32Å; W369-I410 HydrophobicContact CH2-CG1 3.74Å; W369-I410 HydrophobicContact CZ2-CB 4.43Å; W369-I410 HydrophobicContact CZ2-CD1 4.45Å; W369-I410 HydrophobicContact CZ2-CG1 3.42Å; W369-I410 VanDerWaalsContact CZ2-CG1 3.42Å; W369-F518 AromaticContact CH2-CD1 3.79Å; W369-F518 HydrophobicContact CH2-CD1 3.79Å; W369-F518 AromaticContact CH2-CE1 3.61Å; W369-F518 HydrophobicContact CH2-CE1 3.61Å; W369-F518 HydrophobicContact CZ2-CE1 4.09Å
370	G	98.6	Very high	96	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	-5.2	-177	0	0	0	0	0	116.1	Y348 K352 D354 N368	Y348-G370 WeakPolarHBondContact OH-CA 3.47Å; Y348-G370 PolarHBondContact OH-N 3.28Å; K352-G370 PolarHBondContact NZ-O 3.03Å; D354-G370 PolarHBondContact N-O 3.36Å; N368-G370 PolarHBondContact O-N 3.33Å
371	L	98.9	Very high	96.4	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	70.7	174.5	-179.2	57.9	0	0	0	110.7	L262 C295 D354 I356 N368 W369 T373	L262-L371 HydrophobicContact CB-CD1 4.04Å; L262-L371 HydrophobicContact CB-CD2 3.68Å; L262-L371 HydrophobicContact CD1-CD1 3.96Å; C295-L371 HydrophobicContact CB-CD2 4.48Å; D354-L371 HydrophobicContact CB-CD1 3.75Å; D354-L371 CarbonylContact O-C 3.59Å; D354-L371 WeakPolarHBondContact O-CA 3.39Å; I356-L371 HydrophobicContact CG2-CD1 4.08Å; N368-L371 WeakPolarHBondContact CB-O 3.47Å; N368-L371 CarbonylContact O-C 3.53Å; N368-L371 VanDerWaalsContact O-C 3.22Å; N368-L371 PolarHBondContact O-N 3.16Å; W369-L371 VanDerWaalsContact C-N 3.3Å; W369-L371 PolarHBondContact O-N 3.06Å; L371-T373 PolarHBondContact O-N 2.74Å
372	I	98.9	Very high	96.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	129	-174.9	-56.4	164.6	0	0	0	109.6	L353 D354 K355 I356 M366 N368 Y374 E401	L353-I372 HydrophobicContact CD1-CD1 4.05Å; L353-I372 HydrophobicContact CD2-CD1 4.3Å; L353-I372 HydrophobicContact CG-CD1 4.37Å; D354-I372 PolarHBondContact O-N 2.88Å; K355-I372 CarbonylContact C-O 3.51Å; K355-I372 VanDerWaalsContact CA-O 3.23Å; K355-I372 WeakPolarHBondContact CA-O 3.41Å; K355-I372 HydrophobicContact CG-CB 4.22Å; K355-I372 HydrophobicContact CG-CD1 4.32Å; I356-I372 PolarHBondContact N-O 2.97Å; M366-I372 WeakPolarHBondContact O-CA 3.42Å; M366-I372 VanDerWaalsContact O-CG2 3.25Å; M366-I372 WeakPolarHBondContact O-CG2 3.43Å; N368-I372 PolarHBondContact O-N 2.6Å; I372-Y374 HydrophobicContact CB-CE2 3.9Å; I372-Y374 HydrophobicContact CG2-CD2 3.96Å; I372-Y374 HydrophobicContact CG2-CE2 3.21Å; I372-E401 HydrophobicContact CD1-CB 4.1Å; I372-E401 HydrophobicContact CG2-CB 3.64Å; I372-E401 HydrophobicContact CG2-CG 3.65Å
373	T	98.8	Very high	97.2	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	145.6	-179.5	46.1	0	0	0	0	110.6	I356 I358 F361 A365 M366 N368 L371	I356-T373 HydrophobicContact CG2-CG2 3.71Å; I358-T373 HydrophobicContact CD1-CG2 4.45Å; I358-T373 HydrophobicContact CG1-CG2 4.13Å; F361-T373 VanDerWaalsContact CZ-OG1 3.29Å; F361-T373 WeakPolarHBondContact CZ-OG1 3.48Å; A365-T373 CarbonylContact C-O 3.43Å; A365-T373 WeakPolarHBondContact CA-O 3.33Å; A365-T373 WeakPolarHBondContact CB-O 3.31Å; M366-T373 WeakPolarHBondContact CB-OG1 3.49Å; M366-T373 PolarHBondContact N-O 2.86Å; M366-T373 PolarHBondContact O-N 3.05Å; N368-T373 PolarHBondContact ND2-OG1 3.1Å; N368-T373 VanDerWaalsContact ND2-OG1 3.12Å; L371-T373 PolarHBondContact O-N 2.74Å
374	Y	98.7	Very high	97.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	147.4	-176.4	-72.6	-100.1	0	0	0	111.5	K355 I356 A357 I358 A365 I372 N378 L379 V397 I398 E401	K355-Y374 HydrophobicContact CB-CD2 4.27Å; K355-Y374 HydrophobicContact CB-CE2 3.82Å; K355-Y374 HydrophobicContact CD-CE2 3.9Å; K355-Y374 HydrophobicContact CG-CE2 3.93Å; K355-Y374 PolarHBondContact NZ-OH 2.85Å; I356-Y374 PolarHBondContact O-N 3.1Å; A357-Y374 CarbonylContact C-O 3.49Å; A357-Y374 WeakPolarHBondContact CA-O 3.39Å; I358-Y374 PolarHBondContact N-O 3.44Å; A365-Y374 HydrophobicContact CB-CD1 3.55Å; A365-Y374 HydrophobicContact CB-CE1 3.77Å; A365-Y374 HydrophobicContact CB-CG 4.02Å; I372-Y374 HydrophobicContact CB-CE2 3.9Å; I372-Y374 HydrophobicContact CG2-CD2 3.96Å; I372-Y374 HydrophobicContact CG2-CE2 3.21Å; Y374-N378 HydrophobicContact CD1-CB 4.1Å; Y374-L379 HydrophobicContact CD1-CB 3.98Å; Y374-L379 HydrophobicContact CD1-CD1 4.26Å; Y374-L379 HydrophobicContact CD2-CB 4.4Å; Y374-L379 HydrophobicContact CD2-CD1 4.03Å; Y374-L379 HydrophobicContact CD2-CD2 3.79Å; Y374-L379 HydrophobicContact CD2-CG 4.31Å; Y374-L379 HydrophobicContact CE1-CD1 4.27Å; Y374-L379 HydrophobicContact CE2-CD1 4.01Å; Y374-L379 HydrophobicContact CE2-CD2 4.46Å; Y374-L379 HydrophobicContact CG-CB 3.81Å; Y374-L379 HydrophobicContact CG-CD1 4.16Å; Y374-L379 HydrophobicContact CG-CD2 4Å; Y374-L379 HydrophobicContact CG-CG 4.22Å; Y374-V397 HydrophobicContact CD1-CG1 4.14Å; Y374-V397 HydrophobicContact CE1-CB 4.46Å; Y374-V397 HydrophobicContact CE1-CG1 3.74Å; Y374-I398 HydrophobicContact CE1-CG1 4.28Å; Y374-E401 HydrophobicContact CE1-CG 3.86Å; Y374-E401 HydrophobicContact CE2-CG 4.46Å; Y374-E401 VanDerWaalsContact OH-CB 3.26Å; Y374-E401 WeakPolarHBondContact OH-CB 3.47Å; Y374-E401 WeakPolarHBondContact OH-CG 3.37Å
375	R	96.7	Very high	97.3	Very high	32 Å²	32	26.8 Å²	26.8	12%	0.121	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	139.5	152.3	-173.5	179.7	-67.2	-149.7	3.3	109.1	F361 T363 G364 T377 N378 Q860 D861	F361-R375 HydrophobicContact CB-CB 4.34Å; F361-R375 HydrophobicContact CD1-CB 4.41Å; F361-R375 PolarHBondContact O-NH2 2.73Å; F361-R375 VanDerWaalsContact O-NH2 3.14Å; T363-R375 PolarHBondContact O-NE 3.47Å; G364-R375 WeakPolarHBondContact O-CB 3.32Å; G364-R375 PolarHBondContact O-N 2.87Å; R375-T377 WeakPolarHBondContact CD-OG1 3.47Å; R375-T377 PolarHBondContact O-N 2.88Å; R375-N378 PolarHBondContact O-N 2.92Å; R375-Q860 PolarHBondContact NH1-O 3.23Å; R375-Q860 PolarHBondContact NH2-O 2.89Å; R375-D861 IonicContact NH1-OD1 3.61Å; R375-D861 PolarHBondContact NH1-OD1 2.89Å
376	E	97.3	Very high	97.2	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.009	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-48	-39.5	179.7	-70.5	177.2	168.9	0	0	113.2	Q319 A357 P359 N378 L379 L380 A825 R858	Q319-E376 PolarHBondContact NE2-OE1 2.9Å; A357-E376 HydrophobicContact CB-CG 4.14Å; P359-E376 WeakPolarHBondContact CA-OE1 3.23Å; E376-N378 PolarHBondContact O-N 3.43Å; E376-L379 PolarHBondContact O-N 3.07Å; E376-L380 HydrophobicContact CB-CD1 4.28Å; E376-L380 HydrophobicContact CG-CD1 4.19Å; E376-L380 WeakPolarHBondContact O-CB 2.92Å; E376-L380 PolarHBondContact O-N 2.74Å; E376-A825 HydrophobicContact CB-CB 3.65Å; E376-R858 IonicContact OE1-NH1 2.67Å; E376-R858 IonicContact OE2-CZ 3.21Å; E376-R858 IonicContact OE2-NH1 3.03Å; E376-R858 PolarHBondContact OE2-NH1 3.14Å; E376-R858 IonicContact OE2-NH2 2.66Å; E376-R858 PolarHBondContact OE2-NH2 3.21Å
377	T	96.3	Very high	97.2	Very high	29 Å²	29	26.1 Å²	26.1	18%	0.178	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-63.5	-20.8	-179.6	55.9	0	0	0	0	114.9	R375 A825 Q826	R375-T377 WeakPolarHBondContact CD-OG1 3.47Å; R375-T377 PolarHBondContact O-N 2.88Å; T377-A825 HydrophobicContact CG2-CB 3.61Å; T377-Q826 HydrophobicContact CG2-CG 4.16Å; T377-Q826 PolarHBondContact O-NE2 3.41Å
378	N	98.4	Very high	97.1	Very high	10 Å²	10	26.1 Å²	26.1	5%	0.053	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-103.1	-0.3	-177.2	-63.6	-38.4	0	0	0	113.2	G364 Y374 R375 E376 R393 V397	G364-N378 VanDerWaalsContact C-ND2 3.34Å; G364-N378 VanDerWaalsContact CA-ND2 3.28Å; G364-N378 WeakPolarHBondContact CA-ND2 3.36Å; G364-N378 PolarHBondContact O-ND2 3.39Å; Y374-N378 HydrophobicContact CD1-CB 4.1Å; R375-N378 PolarHBondContact O-N 2.92Å; E376-N378 PolarHBondContact O-N 3.43Å; N378-R393 PolarHBondContact OD1-NE 3.49Å; N378-R393 VanDerWaalsContact OD1-NE 3.08Å; N378-V397 HydrophobicContact CB-CB 4.19Å; N378-V397 HydrophobicContact CB-CG1 4.08Å; N378-V397 HydrophobicContact CB-CG2 4.16Å
379	L	98.6	Very high	97	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.8	-39.9	179.3	-169.5	63.8	0	0	0	113.1	I316 A329 K355 A357 Y374 E376 I398	I316-L379 HydrophobicContact CG2-CD1 4.16Å; I316-L379 HydrophobicContact CG2-CD2 3.83Å; I316-L379 HydrophobicContact CG2-CG 3.99Å; A329-L379 HydrophobicContact CB-CD1 3.71Å; A329-L379 HydrophobicContact CB-CG 4.28Å; A329-L379 WeakPolarHBondContact CB-O 3.26Å; K355-L379 HydrophobicContact CB-CD1 4.39Å; K355-L379 HydrophobicContact CB-CD2 4.32Å; K355-L379 HydrophobicContact CD-CD1 4.34Å; A357-L379 HydrophobicContact CB-CD2 3.99Å; Y374-L379 HydrophobicContact CD1-CB 3.98Å; Y374-L379 HydrophobicContact CD1-CD1 4.26Å; Y374-L379 HydrophobicContact CD2-CB 4.4Å; Y374-L379 HydrophobicContact CD2-CD1 4.03Å; Y374-L379 HydrophobicContact CD2-CD2 3.79Å; Y374-L379 HydrophobicContact CD2-CG 4.31Å; Y374-L379 HydrophobicContact CE1-CD1 4.27Å; Y374-L379 HydrophobicContact CE2-CD1 4.01Å; Y374-L379 HydrophobicContact CE2-CD2 4.46Å; Y374-L379 HydrophobicContact CG-CB 3.81Å; Y374-L379 HydrophobicContact CG-CD1 4.16Å; Y374-L379 HydrophobicContact CG-CD2 4Å; Y374-L379 HydrophobicContact CG-CG 4.22Å; E376-L379 PolarHBondContact O-N 3.07Å; L379-I398 HydrophobicContact CD1-CD1 4.07Å; L379-I398 HydrophobicContact CD1-CG1 4.14Å
380	L	98.4	Very high	97	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.01	15%	0.146	C	C	.	.			trans	-93.5	126.4	-173.3	-57.9	-174.8	0	0	0	110.7	A318 Q322 T325 A326 A357 E376 Q826	A318-L380 HydrophobicContact CB-CD2 3.9Å; Q322-L380 HydrophobicContact CB-CD1 4.21Å; T325-L380 WeakPolarHBondContact OG1-CB 3.14Å; A326-L380 HydrophobicContact CB-CD2 4.21Å; A357-L380 HydrophobicContact CB-CD1 4.03Å; A357-L380 HydrophobicContact CB-CD2 4.23Å; A357-L380 HydrophobicContact CB-CG 3.99Å; E376-L380 HydrophobicContact CB-CD1 4.28Å; E376-L380 HydrophobicContact CG-CD1 4.19Å; E376-L380 WeakPolarHBondContact O-CB 2.92Å; E376-L380 PolarHBondContact O-N 2.74Å; L380-Q826 VanDerWaalsContact O-CD 3.26Å; L380-Q826 PolarHBondContact O-NE2 3.34Å; L380-Q826 PolarHBondContact O-OE1 2.91Å
381	Y	98.3	Very high	97	Very high	28 Å²	28	31.8 Å²	31.8	11%	0.11	15%	0.154	C	C	.	.			trans	-133.1	125.4	-178.1	173.1	-97.6	0	0	0	110.7	T325 Y328 E383 K391	T325-Y381 CarbonylContact C-O 3.31Å; T325-Y381 VanDerWaalsContact CA-O 3.25Å; T325-Y381 WeakPolarHBondContact CA-O 3.12Å; T325-Y381 PolarHBondContact O-N 2.96Å; T325-Y381 VanDerWaalsContact O-O 3.08Å; Y328-Y381 HydrophobicContact CD1-CD1 4.06Å; Y328-Y381 HydrophobicContact CD1-CG 4.1Å; Y328-Y381 AromaticContact CG-CD1 3.89Å; Y328-Y381 HydrophobicContact CG-CD1 3.89Å; Y328-Y381 HydrophobicContact CG-CG 4.39Å; Y381-E383 HydrophobicContact CE1-CB 4.01Å; Y381-K391 HydrophobicContact CD2-CB 3.98Å; Y381-K391 HydrophobicContact CD2-CG 4.22Å; Y381-K391 HydrophobicContact CE1-CD 4.26Å; Y381-K391 HydrophobicContact CE1-CG 4.11Å; Y381-K391 HydrophobicContact CE2-CB 3.43Å; Y381-K391 VanDerWaalsContact CE2-CB 3.43Å; Y381-K391 HydrophobicContact CE2-CD 4.41Å; Y381-K391 HydrophobicContact CE2-CG 3.78Å
382	D	96.3	Very high	97	Very high	52 Å²	52	32.7 Å²	32.7	28%	0.278	16%	0.159	S	C	.	.			trans	-113.6	114.4	172.1	-170.6	-33	0	0	0	109.9	T325 K384 E385 S386 L824	T325-D382 HydrophobicContact CG2-CB 3.92Å; D382-K384 PolarHBondContact O-N 3.05Å; D382-K384 WeakPolarHBondContact OD1-CB 3.22Å; D382-K384 PolarHBondContact OD1-N 3.06Å; D382-E385 HydrophobicContact CB-CB 4.16Å; D382-E385 HydrophobicContact CB-CG 4.43Å; D382-E385 PolarHBondContact O-N 2.71Å; D382-S386 PolarHBondContact N-OG 2.61Å; D382-S386 WeakPolarHBondContact O-CA 2.98Å; D382-S386 WeakPolarHBondContact O-CB 3.19Å; D382-S386 PolarHBondContact O-N 2.86Å; D382-S386 PolarHBondContact O-OG 3.48Å; D382-L824 HydrophobicContact CB-CD2 4.15Å
383	E	93.9	Very high	97	Very high	156 Å²	156	38.7 Å²	38.7	73%	0.729	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-26.4	-179.2	-172.6	175.9	-166.8	0	0	113.8	Y381	Y381-E383 HydrophobicContact CE1-CB 4.01Å
384	K	91.4	Very high	97	Very high	164 Å²	164	38.7 Å²	38.7	71%	0.713	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-16.4	-179.8	-62.9	-177	-179.1	-179.7	0	113.6	D382 V792 R795	D382-K384 PolarHBondContact O-N 3.05Å; D382-K384 WeakPolarHBondContact OD1-CB 3.22Å; D382-K384 PolarHBondContact OD1-N 3.06Å; K384-V792 VanDerWaalsContact C-CG1 3.46Å; K384-V792 WeakPolarHBondContact O-CG1 3.45Å; K384-R795 PolarHBondContact O-NH2 2.81Å
385	E	91.4	Very high	97	Very high	65 Å²	65	38.7 Å²	38.7	30%	0.304	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.8	-19.1	-170.5	-55.7	-63.6	140.2	0	0	113.6	D382 V792 R795 L824	D382-E385 HydrophobicContact CB-CB 4.16Å; D382-E385 HydrophobicContact CB-CG 4.43Å; D382-E385 PolarHBondContact O-N 2.71Å; E385-V792 VanDerWaalsContact C-CG1 3.5Å; E385-R795 VanDerWaalsContact CD-NH2 3.32Å; E385-R795 PolarHBondContact O-NH1 2.97Å; E385-R795 IonicContact OE1-NH2 2.79Å; E385-R795 IonicContact OE2-CZ 2.76Å; E385-R795 IonicContact OE2-NH1 3.38Å; E385-R795 PolarHBondContact OE2-NH1 3.36Å; E385-R795 IonicContact OE2-NH2 2.71Å; E385-R795 PolarHBondContact OE2-NH2 3.48Å; E385-L824 HydrophobicContact CB-CD2 3.45Å; E385-L824 VanDerWaalsContact CB-CD2 3.45Å; E385-L824 HydrophobicContact CG-CD2 4.34Å
386	S	96.3	Very high	97.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.179	C	C	.	.			trans	-109	134.1	-168.9	-47	0	0	0	0	110.6	D382 V792 Q826	D382-S386 PolarHBondContact N-OG 2.61Å; D382-S386 WeakPolarHBondContact O-CA 2.98Å; D382-S386 WeakPolarHBondContact O-CB 3.19Å; D382-S386 PolarHBondContact O-N 2.86Å; D382-S386 PolarHBondContact O-OG 3.48Å; S386-V792 WeakPolarHBondContact O-CG2 3.36Å; S386-Q826 PolarHBondContact OG-OE1 2.8Å
387	S	97.4	Very high	97.2	Very high	5 Å²	5	38 Å²	38	4%	0.035	18%	0.181	C	C	.	.			trans	-74	168.3	-176.4	67.4	0	0	0	0	112.5	S389 N390 K391 N793	S387-S389 PolarHBondContact O-N 3.31Å; S387-S389 PolarHBondContact OG-N 3.29Å; S387-N390 PolarHBondContact N-OD1 2.68Å; S387-N390 VanDerWaalsContact N-OD1 3.1Å; S387-N390 WeakPolarHBondContact O-CB 3.24Å; S387-N390 PolarHBondContact O-N 2.81Å; S387-N390 VanDerWaalsContact O-N 3.08Å; S387-N390 PolarHBondContact OG-N 3.13Å; S387-N390 PolarHBondContact OG-OD1 3.03Å; S387-K391 PolarHBondContact O-N 3.24Å; S387-N793 WeakPolarHBondContact CB-OD1 3.47Å
388	S	97.4	Very high	97.3	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-56.3	-39	168.5	-82.1	0	0	0	0	111.7	N390 K391 Q392 Q750 R753 N793	S388-N390 PolarHBondContact O-N 2.72Å; S388-K391 WeakPolarHBondContact O-CB 3.42Å; S388-K391 PolarHBondContact O-N 2.95Å; S388-Q392 PolarHBondContact O-N 2.9Å; S388-Q750 PolarHBondContact O-NE2 3.09Å; S388-Q750 PolarHBondContact OG-OE1 2.78Å; S388-R753 WeakPolarHBondContact OG-CD 3.39Å; S388-N793 VanDerWaalsContact CB-OD1 3.3Å; S388-N793 WeakPolarHBondContact CB-OD1 3.21Å; S388-N793 PolarHBondContact N-OD1 3.18Å
389	S	97.2	Very high	97.3	Very high	54 Å²	54	36.1 Å²	36.1	38%	0.378	17%	0.17	S	C	.	.	H	α-helix	trans	-60.5	-42.7	172.9	174.2	0	0	0	0	111.8	S387 Q392 R393	S387-S389 PolarHBondContact O-N 3.31Å; S387-S389 PolarHBondContact OG-N 3.29Å; S389-Q392 PolarHBondContact O-N 2.89Å; S389-R393 WeakPolarHBondContact O-CB 3.09Å; S389-R393 PolarHBondContact O-N 3.37Å
390	N	98.3	Very high	97.3	Very high	22 Å²	22	36.8 Å²	36.8	12%	0.118	17%	0.173	C	C	.	.	H	α-helix	trans	-63.2	-43.2	173.6	-66.3	137.2	0	0	0	112.5	S387 S388 Q392 R393 V394 Q826 K830	S387-N390 PolarHBondContact N-OD1 2.68Å; S387-N390 VanDerWaalsContact N-OD1 3.1Å; S387-N390 WeakPolarHBondContact O-CB 3.24Å; S387-N390 PolarHBondContact O-N 2.81Å; S387-N390 VanDerWaalsContact O-N 3.08Å; S387-N390 PolarHBondContact OG-N 3.13Å; S387-N390 PolarHBondContact OG-OD1 3.03Å; S388-N390 PolarHBondContact O-N 2.72Å; N390-Q392 VanDerWaalsContact C-N 3.32Å; N390-Q392 PolarHBondContact O-N 2.58Å; N390-R393 PolarHBondContact O-N 3.36Å; N390-V394 WeakPolarHBondContact O-CG2 3.39Å; N390-V394 PolarHBondContact O-N 2.71Å; N390-Q826 HydrophobicContact CB-CG 4.5Å; N390-K830 WeakPolarHBondContact OD1-CE 3.22Å; N390-K830 PolarHBondContact OD1-NZ 2.96Å
391	K	98.6	Very high	97.4	Very high	43 Å²	43	37.1 Å²	37.1	19%	0.187	18%	0.175	C	C	.	.	H	α-helix	trans	-57.5	-47.2	177.4	-161.2	-176.6	170.5	-159.9	0	111	Y328 Y381 S387 S388 V394 A395 E438 W441	Y328-K391 HydrophobicContact CD1-CG 4.17Å; Y328-K391 HydrophobicContact CE1-CG 3.57Å; Y328-K391 WeakPolarHBondContact CE1-O 3.5Å; Y328-K391 HydrophobicContact CE2-CD 4.31Å; Y328-K391 HydrophobicContact CE2-CG 4.18Å; Y328-K391 WeakPolarHBondContact OH-CE 3.45Å; Y381-K391 HydrophobicContact CD2-CB 3.98Å; Y381-K391 HydrophobicContact CD2-CG 4.22Å; Y381-K391 HydrophobicContact CE1-CD 4.26Å; Y381-K391 HydrophobicContact CE1-CG 4.11Å; Y381-K391 HydrophobicContact CE2-CB 3.43Å; Y381-K391 VanDerWaalsContact CE2-CB 3.43Å; Y381-K391 HydrophobicContact CE2-CD 4.41Å; Y381-K391 HydrophobicContact CE2-CG 3.78Å; S387-K391 PolarHBondContact O-N 3.24Å; S388-K391 WeakPolarHBondContact O-CB 3.42Å; S388-K391 PolarHBondContact O-N 2.95Å; K391-V394 PolarHBondContact O-N 3.16Å; K391-A395 PolarHBondContact O-N 2.95Å; K391-A395 VanDerWaalsContact O-N 3.08Å; K391-E438 VanDerWaalsContact CE-OE1 3.27Å; K391-E438 WeakPolarHBondContact CE-OE1 3.46Å; K391-E438 IonicContact NZ-OE1 3.45Å; K391-E438 PolarHBondContact NZ-OE1 3.42Å; K391-E438 IonicContact NZ-OE2 3.63Å; K391-W441 HydrophobicContact CB-CH2 4.44Å; K391-W441 HydrophobicContact CD-CH2 4.24Å; K391-W441 HydrophobicContact CD-CZ2 3.96Å; K391-W441 HydrophobicContact CG-CH2 4.06Å; K391-W441 HydrophobicContact CG-CZ2 4.3Å
392	Q	98.6	Very high	97.4	Very high	20 Å²	20	35.8 Å²	35.8	9%	0.093	17%	0.17	C	C	.	.	H	α-helix	trans	-66.8	-40	178.9	-173.5	175.6	-49.7	0	0	112.7	S388 S389 N390 V394 A395 S396 W441 M443	S388-Q392 PolarHBondContact O-N 2.9Å; S389-Q392 PolarHBondContact O-N 2.89Å; N390-Q392 VanDerWaalsContact C-N 3.32Å; N390-Q392 PolarHBondContact O-N 2.58Å; Q392-V394 PolarHBondContact O-N 3.15Å; Q392-A395 PolarHBondContact O-N 2.83Å; Q392-S396 WeakPolarHBondContact O-CB 3.48Å; Q392-S396 PolarHBondContact O-N 3.37Å; Q392-S396 PolarHBondContact O-OG 2.95Å; Q392-W441 HydrophobicContact CB-CE3 4.27Å; Q392-W441 HydrophobicContact CB-CH2 4.24Å; Q392-W441 HydrophobicContact CB-CZ3 3.74Å; Q392-W441 HydrophobicContact CG-CE3 3.98Å; Q392-W441 HydrophobicContact CG-CZ3 3.81Å; Q392-M443 HydrophobicContact CG-CE 4.32Å; Q392-M443 HydrophobicContact CG-SD 4.23Å
393	R	98.4	Very high	97.5	Very high	125 Å²	125	33.3 Å²	33.3	47%	0.472	16%	0.156	S	C	.	.	H	α-helix	trans	-60	-45.8	174.6	179.6	60.5	-178.3	176.1	5.3	111.7	N378 S389 N390 S396 V397	N378-R393 PolarHBondContact OD1-NE 3.49Å; N378-R393 VanDerWaalsContact OD1-NE 3.08Å; S389-R393 WeakPolarHBondContact O-CB 3.09Å; S389-R393 PolarHBondContact O-N 3.37Å; N390-R393 PolarHBondContact O-N 3.36Å; R393-S396 PolarHBondContact O-N 3.27Å; R393-V397 HydrophobicContact CG-CG2 4.44Å; R393-V397 WeakPolarHBondContact O-CG2 3.15Å; R393-V397 PolarHBondContact O-N 3.46Å
394	V	98.9	Very high	97.7	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.8	-48.1	177.6	169.9	0	0	0	0	111	Y328 N390 K391 Q392 S396 I398	Y328-V394 HydrophobicContact CD1-CB 4.45Å; Y328-V394 HydrophobicContact CD1-CG1 3.94Å; Y328-V394 HydrophobicContact CE1-CB 4.41Å; Y328-V394 HydrophobicContact CE1-CG1 4.19Å; N390-V394 WeakPolarHBondContact O-CG2 3.39Å; N390-V394 PolarHBondContact O-N 2.71Å; K391-V394 PolarHBondContact O-N 3.16Å; Q392-V394 PolarHBondContact O-N 3.15Å; V394-S396 PolarHBondContact O-N 3.41Å; V394-I398 HydrophobicContact CG1-CD1 3.66Å; V394-I398 WeakPolarHBondContact O-CB 3.44Å; V394-I398 WeakPolarHBondContact O-CD1 3.14Å; V394-I398 VanDerWaalsContact O-CG1 3.23Å; V394-I398 WeakPolarHBondContact O-CG1 3.29Å; V394-I398 PolarHBondContact O-N 2.83Å
395	A	98.9	Very high	98.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-60.7	-44.5	178.4	0	0	0	0	0	112.3	Y328 K391 Q392 I398 A399 V434 W441	Y328-A395 HydrophobicContact CE1-CB 4.28Å; K391-A395 PolarHBondContact O-N 2.95Å; K391-A395 VanDerWaalsContact O-N 3.08Å; Q392-A395 PolarHBondContact O-N 2.83Å; A395-I398 PolarHBondContact O-N 3.03Å; A395-A399 WeakPolarHBondContact O-CB 3.3Å; A395-A399 PolarHBondContact O-N 3.19Å; A395-V434 HydrophobicContact CB-CG1 4.07Å; A395-V434 HydrophobicContact CB-CG2 3.97Å; A395-V434 WeakPolarHBondContact O-CG2 3.25Å; A395-W441 HydrophobicContact CB-CH2 4.38Å; A395-W441 HydrophobicContact CB-CZ3 4.07Å
396	S	98.7	Very high	98.5	Very high	11 Å²	11	15 Å²	15	8%	0.077	7%	0.074	C	C	.	.	H	α-helix	trans	-66.3	-46.9	-177.4	-48.5	0	0	0	0	111.6	Q392 R393 V394 I398 A399 H400	Q392-S396 WeakPolarHBondContact O-CB 3.48Å; Q392-S396 PolarHBondContact O-N 3.37Å; Q392-S396 PolarHBondContact O-OG 2.95Å; R393-S396 PolarHBondContact O-N 3.27Å; V394-S396 PolarHBondContact O-N 3.41Å; S396-I398 VanDerWaalsContact C-N 3.34Å; S396-I398 PolarHBondContact O-N 3.48Å; S396-A399 WeakPolarHBondContact O-CB 3.15Å; S396-A399 PolarHBondContact O-N 3.29Å; S396-H400 WeakPolarHBondContact O-CB 3.46Å; S396-H400 PolarHBondContact O-N 3.31Å
397	V	98.8	Very high	98.6	Very high	8 Å²	8	15.1 Å²	15.1	5%	0.048	7%	0.074	C	C	.	.	H	α-helix	trans	-66.4	-37.2	176.8	-174.2	0	0	0	0	110.7	A365 Y374 N378 R393 A399 H400 E401	A365-V397 HydrophobicContact CB-CG1 3.65Å; Y374-V397 HydrophobicContact CD1-CG1 4.14Å; Y374-V397 HydrophobicContact CE1-CB 4.46Å; Y374-V397 HydrophobicContact CE1-CG1 3.74Å; N378-V397 HydrophobicContact CB-CB 4.19Å; N378-V397 HydrophobicContact CB-CG1 4.08Å; N378-V397 HydrophobicContact CB-CG2 4.16Å; R393-V397 HydrophobicContact CG-CG2 4.44Å; R393-V397 WeakPolarHBondContact O-CG2 3.15Å; R393-V397 PolarHBondContact O-N 3.46Å; V397-A399 VanDerWaalsContact C-N 3.31Å; V397-A399 PolarHBondContact O-N 3.44Å; V397-H400 WeakPolarHBondContact O-CB 3.28Å; V397-H400 PolarHBondContact O-N 3.39Å; V397-E401 HydrophobicContact CG1-CG 4.25Å; V397-E401 VanDerWaalsContact O-CG 3.29Å; V397-E401 WeakPolarHBondContact O-CG 3.31Å; V397-E401 PolarHBondContact O-N 3.27Å
398	I	98.9	Very high	98.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.5	-43.4	173.4	-72.2	167.9	0	0	0	111.5	A329 V332 T333 I336 Y374 L379 V394 A395 S396 L402	A329-I398 HydrophobicContact CB-CD1 3.51Å; V332-I398 HydrophobicContact CG2-CB 4.39Å; V332-I398 HydrophobicContact CG2-CD1 3.58Å; V332-I398 HydrophobicContact CG2-CG2 4.15Å; T333-I398 WeakPolarHBondContact OG1-CG2 3.44Å; I336-I398 HydrophobicContact CD1-CG2 4.39Å; Y374-I398 HydrophobicContact CE1-CG1 4.28Å; L379-I398 HydrophobicContact CD1-CD1 4.07Å; L379-I398 HydrophobicContact CD1-CG1 4.14Å; V394-I398 HydrophobicContact CG1-CD1 3.66Å; V394-I398 WeakPolarHBondContact O-CB 3.44Å; V394-I398 WeakPolarHBondContact O-CD1 3.14Å; V394-I398 VanDerWaalsContact O-CG1 3.23Å; V394-I398 WeakPolarHBondContact O-CG1 3.29Å; V394-I398 PolarHBondContact O-N 2.83Å; A395-I398 PolarHBondContact O-N 3.03Å; S396-I398 VanDerWaalsContact C-N 3.34Å; S396-I398 PolarHBondContact O-N 3.48Å; I398-L402 HydrophobicContact CG2-CD1 3.9Å; I398-L402 HydrophobicContact CG2-CG 4.45Å; I398-L402 WeakPolarHBondContact O-CB 3.24Å; I398-L402 WeakPolarHBondContact O-CG 3.44Å; I398-L402 PolarHBondContact O-N 2.66Å; I398-L402 VanDerWaalsContact O-N 3.1Å
399	A	98.9	Very high	98.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-62.5	-47.3	176.7	0	0	0	0	0	111.3	I336 A395 S396 V397 E401 L402 V403 E430 V434	I336-A399 HydrophobicContact CD1-CB 4.03Å; I336-A399 HydrophobicContact CG2-CB 4.2Å; A395-A399 WeakPolarHBondContact O-CB 3.3Å; A395-A399 PolarHBondContact O-N 3.19Å; S396-A399 WeakPolarHBondContact O-CB 3.15Å; S396-A399 PolarHBondContact O-N 3.29Å; V397-A399 VanDerWaalsContact C-N 3.31Å; V397-A399 PolarHBondContact O-N 3.44Å; A399-E401 PolarHBondContact O-N 3.44Å; A399-L402 WeakPolarHBondContact O-CB 3.35Å; A399-L402 PolarHBondContact O-N 3.03Å; A399-L402 VanDerWaalsContact O-N 3.1Å; A399-V403 WeakPolarHBondContact O-CG2 3.3Å; A399-V403 PolarHBondContact O-N 2.74Å; A399-E430 HydrophobicContact CB-CB 3.97Å; A399-E430 WeakPolarHBondContact CB-O 3.21Å; A399-V434 HydrophobicContact CB-CG2 3.87Å
400	H	98.9	Very high	98.7	Very high	15 Å²	15	12.1 Å²	12.1	7%	0.069	5%	0.053	C	C	.	.	H	α-helix	trans	-51.1	-57	176.1	-165.1	96.5	0	0	0	111.9	S396 V397 L402 V403 H404 E423 A426 S427 E430 Y486	S396-H400 WeakPolarHBondContact O-CB 3.46Å; S396-H400 PolarHBondContact O-N 3.31Å; V397-H400 WeakPolarHBondContact O-CB 3.28Å; V397-H400 PolarHBondContact O-N 3.39Å; H400-L402 PolarHBondContact O-N 3.25Å; H400-V403 WeakPolarHBondContact O-CB 3.4Å; H400-V403 PolarHBondContact O-N 2.82Å; H400-V403 VanDerWaalsContact O-N 3.08Å; H400-H404 AromaticContact CD2-CD2 3.74Å; H400-H404 AromaticContact CD2-NE2 3.36Å; H400-H404 PolarHBondContact CD2-NE2 2.65Å; H400-H404 AromaticContact NE2-NE2 3.27Å; H400-H404 PolarHBondContact NE2-NE2 2.95Å; H400-H404 PolarHBondContact O-CD2 3.48Å; H400-H404 PolarHBondContact O-N 2.91Å; H400-E423 IonicContact NE2-OE2 3.48Å; H400-E423 PolarHBondContact NE2-OE2 3.05Å; H400-A426 VanDerWaalsContact CE1-CB 3.43Å; H400-A426 WeakPolarHBondContact CE1-CB 3.42Å; H400-S427 PolarHBondContact CE1-N 2.8Å; H400-S427 PolarHBondContact CE1-OG 3.36Å; H400-S427 PolarHBondContact ND1-N 3.27Å; H400-E430 HydrophobicContact CB-CB 4.23Å; H400-E430 IonicContact CE1-OE2 3.62Å; H400-E430 IonicContact CG-OE2 2.58Å; H400-E430 IonicContact ND1-OE2 2.76Å; H400-E430 PolarHBondContact ND1-OE2 2.67Å; H400-Y486 AromaticContact CE1-CD1 3.94Å; H400-Y486 AromaticContact CE1-CE1 4Å; H400-Y486 AromaticContact NE2-CE1 3.85Å
401	E	98.9	Very high	98.8	Very high	9 Å²	9	11.1 Å²	11.1	4%	0.042	5%	0.048	C	C	.	.	H	α-helix	trans	-64.2	-27.8	179.7	-58.2	-46.1	131.1	0	0	113.5	A365 M366 E367 I372 Y374 V397 A399 Q405	A365-E401 HydrophobicContact CB-CG 3.75Å; A365-E401 VanDerWaalsContact CB-OE1 3.31Å; A365-E401 WeakPolarHBondContact CB-OE1 3.44Å; M366-E401 VanDerWaalsContact C-OE2 3.27Å; E367-E401 VanDerWaalsContact CA-OE2 3.24Å; E367-E401 WeakPolarHBondContact CA-OE2 3.32Å; E367-E401 WeakPolarHBondContact CB-OE2 3.45Å; E367-E401 PolarHBondContact N-OE2 3.02Å; I372-E401 HydrophobicContact CD1-CB 4.1Å; I372-E401 HydrophobicContact CG2-CB 3.64Å; I372-E401 HydrophobicContact CG2-CG 3.65Å; Y374-E401 HydrophobicContact CE1-CG 3.86Å; Y374-E401 HydrophobicContact CE2-CG 4.46Å; Y374-E401 VanDerWaalsContact OH-CB 3.26Å; Y374-E401 WeakPolarHBondContact OH-CB 3.47Å; Y374-E401 WeakPolarHBondContact OH-CG 3.37Å; V397-E401 HydrophobicContact CG1-CG 4.25Å; V397-E401 VanDerWaalsContact O-CG 3.29Å; V397-E401 WeakPolarHBondContact O-CG 3.31Å; V397-E401 PolarHBondContact O-N 3.27Å; A399-E401 PolarHBondContact O-N 3.44Å; E401-Q405 PolarHBondContact O-NE2 3.24Å
402	L	98.9	Very high	98.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-73.2	-36.7	175.5	-75.7	175.4	0	0	0	111.7	T333 I336 F337 F340 L353 I398 A399 H400 H404 Q405 W406	T333-L402 HydrophobicContact CG2-CD1 4.32Å; T333-L402 HydrophobicContact CG2-CD2 4.48Å; I336-L402 HydrophobicContact CB-CD1 3.75Å; I336-L402 HydrophobicContact CG2-CB 4.35Å; I336-L402 HydrophobicContact CG2-CD1 3.64Å; F337-L402 HydrophobicContact CB-CD1 4.31Å; F337-L402 HydrophobicContact CB-CD2 4.44Å; F337-L402 HydrophobicContact CD2-CD2 3.97Å; F340-L402 HydrophobicContact CD2-CB 4.14Å; F340-L402 HydrophobicContact CE2-CB 4.31Å; L353-L402 HydrophobicContact CD1-CD2 4.21Å; L353-L402 HydrophobicContact CD2-CD2 4.06Å; I398-L402 HydrophobicContact CG2-CD1 3.9Å; I398-L402 HydrophobicContact CG2-CG 4.45Å; I398-L402 WeakPolarHBondContact O-CB 3.24Å; I398-L402 WeakPolarHBondContact O-CG 3.44Å; I398-L402 PolarHBondContact O-N 2.66Å; I398-L402 VanDerWaalsContact O-N 3.1Å; A399-L402 WeakPolarHBondContact O-CB 3.35Å; A399-L402 PolarHBondContact O-N 3.03Å; A399-L402 VanDerWaalsContact O-N 3.1Å; H400-L402 PolarHBondContact O-N 3.25Å; L402-H404 VanDerWaalsContact C-N 3.25Å; L402-H404 PolarHBondContact O-N 3.37Å; L402-Q405 VanDerWaalsContact O-CB 3.32Å; L402-Q405 WeakPolarHBondContact O-CB 3.28Å; L402-Q405 WeakPolarHBondContact O-CG 3.47Å; L402-Q405 PolarHBondContact O-N 3.04Å; L402-Q405 VanDerWaalsContact O-N 3.16Å; L402-W406 WeakPolarHBondContact O-CZ3 3.36Å
403	V	98.9	Very high	98.8	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-60.2	-40.8	175.1	175.2	0	0	0	0	110.7	F340 A399 H400 Q405 W406 F407 A426 F429	F340-V403 HydrophobicContact CD2-CG2 4.24Å; F340-V403 HydrophobicContact CE1-CG2 4.13Å; F340-V403 HydrophobicContact CE2-CG2 3.47Å; F340-V403 VanDerWaalsContact CE2-CG2 3.47Å; F340-V403 HydrophobicContact CZ-CG2 3.43Å; F340-V403 VanDerWaalsContact CZ-CG2 3.43Å; A399-V403 WeakPolarHBondContact O-CG2 3.3Å; A399-V403 PolarHBondContact O-N 2.74Å; H400-V403 WeakPolarHBondContact O-CB 3.4Å; H400-V403 PolarHBondContact O-N 2.82Å; H400-V403 VanDerWaalsContact O-N 3.08Å; V403-Q405 PolarHBondContact O-N 3.34Å; V403-W406 PolarHBondContact O-N 3.48Å; V403-F407 HydrophobicContact CG1-CB 4.21Å; V403-F407 HydrophobicContact CG1-CD2 4.03Å; V403-F407 PolarHBondContact O-N 3.45Å; V403-A426 HydrophobicContact CB-CB 4.25Å; V403-A426 HydrophobicContact CG1-CB 4.26Å; V403-F429 HydrophobicContact CB-CB 4.28Å; V403-F429 HydrophobicContact CG1-CB 3.92Å; V403-F429 HydrophobicContact CG1-CD2 4.1Å; V403-F429 HydrophobicContact CG1-CG 4.39Å; V403-F429 HydrophobicContact CG2-CB 3.33Å; V403-F429 HydrophobicContact CG2-CG 4.43Å
404	H	98.9	Very high	98.8	Very high	1 Å²	1	4 Å²	4	1%	0.005	2%	0.021	C	C	.	.	H	α-helix	trans	-57.8	-24.2	179.2	-76.5	-54	0	0	0	114.4	E367 H400 L402 W406 F407 N409 E423 A426	E367-H404 HydrophobicContact CB-CB 3.29Å; E367-H404 HydrophobicContact CG-CB 3.55Å; E367-H404 IonicContact OE1-CE1 3.21Å; E367-H404 IonicContact OE1-CG 2.78Å; E367-H404 IonicContact OE1-ND1 3.17Å; E367-H404 IonicContact OE2-CD2 2.74Å; H400-H404 AromaticContact CD2-CD2 3.74Å; H400-H404 AromaticContact CD2-NE2 3.36Å; H400-H404 PolarHBondContact CD2-NE2 2.65Å; H400-H404 AromaticContact NE2-NE2 3.27Å; H400-H404 PolarHBondContact NE2-NE2 2.95Å; H400-H404 PolarHBondContact O-CD2 3.48Å; H400-H404 PolarHBondContact O-N 2.91Å; L402-H404 VanDerWaalsContact C-N 3.25Å; L402-H404 PolarHBondContact O-N 3.37Å; H404-W406 PolarHBondContact O-N 3.07Å; H404-F407 VanDerWaalsContact CA-O 3.31Å; H404-F407 WeakPolarHBondContact CA-O 3.42Å; H404-F407 PolarHBondContact ND1-O 3.48Å; H404-F407 CarbonylContact O-C 3.45Å; H404-N409 WeakPolarHBondContact O-CB 3.39Å; H404-N409 PolarHBondContact O-N 3.3Å; H404-N409 PolarHBondContact O-OD1 2.92Å; H404-E423 IonicContact CE1-OE2 3.28Å; H404-E423 PolarHBondContact CE1-OE2 3.43Å; H404-E423 IonicContact NE2-OE2 2.63Å; H404-E423 PolarHBondContact NE2-OE2 2.81Å; H404-A426 WeakPolarHBondContact CE1-CB 3.41Å; H404-A426 VanDerWaalsContact NE2-CB 3.34Å; H404-A426 WeakPolarHBondContact NE2-CB 3.2Å
405	Q	98.8	Very high	98.8	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.4	175	-50	-49.3	-63.3	0	0	112.5	Y348 L353 E367 W369 E401 L402 V403 N409 I410	Y348-Q405 HydrophobicContact CD2-CB 4Å; Y348-Q405 HydrophobicContact CE2-CB 3.91Å; Y348-Q405 HydrophobicContact CE2-CG 4.15Å; L353-Q405 HydrophobicContact CD1-CG 3.98Å; E367-Q405 PolarHBondContact O-NE2 3.16Å; W369-Q405 VanDerWaalsContact CD1-OE1 3.29Å; E401-Q405 PolarHBondContact O-NE2 3.24Å; L402-Q405 VanDerWaalsContact O-CB 3.32Å; L402-Q405 WeakPolarHBondContact O-CB 3.28Å; L402-Q405 WeakPolarHBondContact O-CG 3.47Å; L402-Q405 PolarHBondContact O-N 3.04Å; L402-Q405 VanDerWaalsContact O-N 3.16Å; V403-Q405 PolarHBondContact O-N 3.34Å; Q405-N409 PolarHBondContact NE2-ND2 3.22Å; Q405-N409 PolarHBondContact OE1-ND2 2.81Å; Q405-N409 VanDerWaalsContact OE1-ND2 3.16Å; Q405-I410 WeakPolarHBondContact O-CD1 3.31Å; Q405-I410 VanDerWaalsContact O-CG1 3.28Å; Q405-I410 WeakPolarHBondContact O-CG1 3.27Å
406	W	98.9	Very high	98.8	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-51.6	169	-66.1	-98.7	0	0	0	112.4	F340 E341 F344 M346 L402 V403 H404 I410 V411 L513	F340-W406 HydrophobicContact CB-CE3 4.21Å; F340-W406 HydrophobicContact CB-CH2 3.85Å; F340-W406 HydrophobicContact CB-CZ2 4.46Å; F340-W406 HydrophobicContact CB-CZ3 3.7Å; E341-W406 HydrophobicContact CB-CZ2 4.41Å; E341-W406 HydrophobicContact CG-CH2 4.13Å; E341-W406 HydrophobicContact CG-CZ2 3.67Å; F344-W406 HydrophobicContact CB-CG 4.49Å; F344-W406 HydrophobicContact CD2-CB 4.13Å; F344-W406 AromaticContact CD2-CD2 3.71Å; F344-W406 HydrophobicContact CD2-CD2 3.71Å; F344-W406 HydrophobicContact CD2-CE3 4.1Å; F344-W406 AromaticContact CD2-CG 3.7Å; F344-W406 HydrophobicContact CD2-CG 3.7Å; F344-W406 HydrophobicContact CE2-CB 4.42Å; F344-W406 HydrophobicContact CE2-CD2 4.27Å; F344-W406 HydrophobicContact CE2-CE3 4.26Å; F344-W406 HydrophobicContact CE2-CG 4.34Å; F344-W406 HydrophobicContact CG-CG 4.34Å; M346-W406 PolarHBondContact O-NE1 3.18Å; L402-W406 WeakPolarHBondContact O-CZ3 3.36Å; V403-W406 PolarHBondContact O-N 3.48Å; H404-W406 PolarHBondContact O-N 3.07Å; W406-I410 HydrophobicContact CG-CD1 4.23Å; W406-V411 PolarHBondContact O-N 2.88Å; W406-V411 VanDerWaalsContact O-N 3.16Å; W406-L513 HydrophobicContact CB-CD1 4.08Å; W406-L513 HydrophobicContact CB-CD2 4.05Å; W406-L513 HydrophobicContact CG-CD1 4.44Å
407	F	98.8	Very high	98.7	Very high	1 Å²	1	5.8 Å²	5.8	0%	0.004	3%	0.029	C	C	.	.	B	Isolated β-bridge	trans	-99.5	87.1	-178.5	-68.2	-88.9	0	0	0	111.7	F344 V403 H404 F425 F429 C509 Y512 L513	F344-F407 AromaticContact CD1-CE2 3.95Å; F344-F407 HydrophobicContact CD1-CE2 3.95Å; F344-F407 HydrophobicContact CE1-CD2 4.39Å; F344-F407 AromaticContact CE1-CE2 3.5Å; F344-F407 HydrophobicContact CE1-CE2 3.5Å; F344-F407 HydrophobicContact CE1-CZ 4.33Å; F344-F407 HydrophobicContact CE2-CE2 4.32Å; F344-F407 HydrophobicContact CZ-CD2 4.15Å; F344-F407 AromaticContact CZ-CE2 3.71Å; F344-F407 HydrophobicContact CZ-CE2 3.71Å; V403-F407 HydrophobicContact CG1-CB 4.21Å; V403-F407 HydrophobicContact CG1-CD2 4.03Å; V403-F407 PolarHBondContact O-N 3.45Å; H404-F407 VanDerWaalsContact CA-O 3.31Å; H404-F407 WeakPolarHBondContact CA-O 3.42Å; H404-F407 PolarHBondContact ND1-O 3.48Å; H404-F407 CarbonylContact O-C 3.45Å; F407-F425 HydrophobicContact CB-CB 3.92Å; F407-F425 HydrophobicContact CB-CG 4.49Å; F407-F425 HydrophobicContact CD1-CB 4.08Å; F407-F425 AromaticContact CD1-CD1 3.28Å; F407-F425 HydrophobicContact CD1-CD1 3.28Å; F407-F425 AromaticContact CD1-CE1 3.78Å; F407-F425 HydrophobicContact CD1-CE1 3.78Å; F407-F425 AromaticContact CD1-CG 3.76Å; F407-F425 HydrophobicContact CD1-CG 3.76Å; F407-F425 HydrophobicContact CD2-CD1 4.37Å; F407-F425 AromaticContact CE1-CD1 3.26Å; F407-F425 HydrophobicContact CE1-CD1 3.26Å; F407-F425 AromaticContact CE1-CE1 3.38Å; F407-F425 HydrophobicContact CE1-CE1 3.38Å; F407-F425 HydrophobicContact CE1-CG 4.19Å; F407-F425 HydrophobicContact CE1-CZ 4.36Å; F407-F425 HydrophobicContact CE2-CD1 4.34Å; F407-F425 HydrophobicContact CG-CB 3.97Å; F407-F425 AromaticContact CG-CD1 3.87Å; F407-F425 HydrophobicContact CG-CD1 3.87Å; F407-F425 HydrophobicContact CG-CG 4.16Å; F407-F425 AromaticContact CZ-CD1 3.83Å; F407-F425 HydrophobicContact CZ-CD1 3.83Å; F407-F425 HydrophobicContact CZ-CE1 4.06Å; F407-F429 HydrophobicContact CE2-CD2 4.47Å; F407-F429 HydrophobicContact CE2-CE2 4.03Å; F407-F429 HydrophobicContact CZ-CE2 4.31Å; F407-C509 HydrophobicContact CZ-CB 4.08Å; F407-Y512 HydrophobicContact CD1-CD1 4.44Å; F407-Y512 HydrophobicContact CD1-CE1 4.06Å; F407-Y512 AromaticContact CE1-CD1 3.74Å; F407-Y512 HydrophobicContact CE1-CD1 3.74Å; F407-Y512 AromaticContact CE1-CE1 3.81Å; F407-Y512 HydrophobicContact CE1-CE1 3.81Å; F407-L513 HydrophobicContact CD1-CD2 4.21Å; F407-L513 HydrophobicContact CD2-CD2 4.27Å; F407-L513 HydrophobicContact CE1-CD2 3.98Å; F407-L513 HydrophobicContact CE1-CG 4.24Å; F407-L513 HydrophobicContact CE2-CD1 3.74Å; F407-L513 HydrophobicContact CE2-CD2 4.04Å; F407-L513 HydrophobicContact CE2-CG 4.12Å; F407-L513 HydrophobicContact CG-CD2 4.35Å; F407-L513 HydrophobicContact CZ-CD1 3.84Å; F407-L513 HydrophobicContact CZ-CD2 3.89Å; F407-L513 HydrophobicContact CZ-CG 3.8Å
408	G	98.1	Very high	98.7	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	139.3	-46.1	-176.6	0	0	0	0	0	110.3	Y292 V411 T412 N422	Y292-G408 PolarHBondContact OH-O 3.22Å; G408-V411 CarbonylContact C-O 3.57Å; G408-V411 VanDerWaalsContact CA-O 3.29Å; G408-V411 WeakPolarHBondContact CA-O 3.44Å; G408-V411 PolarHBondContact N-O 2.95Å; G408-T412 WeakPolarHBondContact O-CA 3.41Å; G408-T412 VanDerWaalsContact O-CB 3.29Å; G408-T412 WeakPolarHBondContact O-CB 3.47Å; G408-T412 PolarHBondContact O-OG1 2.99Å; G408-N422 VanDerWaalsContact CA-CG 3.49Å; G408-N422 VanDerWaalsContact CA-ND2 3.32Å; G408-N422 WeakPolarHBondContact CA-ND2 3.34Å
409	N	98.6	Very high	98.7	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-64.1	-177.5	-65.1	3.9	0	0	0	112.2	K246 L293 E367 W369 H404 Q405	K246-N409 PolarHBondContact NZ-O 2.97Å; L293-N409 HydrophobicContact CD1-CB 4.17Å; L293-N409 VanDerWaalsContact CD1-OD1 3.28Å; L293-N409 WeakPolarHBondContact CD1-OD1 3.27Å; L293-N409 WeakPolarHBondContact CD2-OD1 3.37Å; E367-N409 WeakPolarHBondContact CG-OD1 3.23Å; E367-N409 PolarHBondContact O-ND2 2.82Å; W369-N409 HydrophobicContact CD2-CB 3.59Å; W369-N409 HydrophobicContact CE3-CB 3.76Å; W369-N409 HydrophobicContact CG-CB 3.97Å; W369-N409 HydrophobicContact CH2-CB 4.24Å; W369-N409 HydrophobicContact CZ2-CB 4.09Å; W369-N409 HydrophobicContact CZ3-CB 4.1Å; W369-N409 VanDerWaalsContact CZ3-O 3.24Å; W369-N409 WeakPolarHBondContact CZ3-O 3.37Å; H404-N409 WeakPolarHBondContact O-CB 3.39Å; H404-N409 PolarHBondContact O-N 3.3Å; H404-N409 PolarHBondContact O-OD1 2.92Å; Q405-N409 PolarHBondContact NE2-ND2 3.22Å; Q405-N409 PolarHBondContact OE1-ND2 2.81Å; Q405-N409 VanDerWaalsContact OE1-ND2 3.16Å
410	I	98.6	Very high	98.7	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-54	177.9	-69.7	171.6	0	0	0	110.1	K246 M346 W369 Q405 W406 Y517 F518	K246-I410 PolarHBondContact NZ-O 2.63Å; M346-I410 HydrophobicContact CG-CD1 4.39Å; M346-I410 HydrophobicContact SD-CD1 3.72Å; M346-I410 HydrophobicContact SD-CG2 4.07Å; W369-I410 HydrophobicContact CH2-CB 4.32Å; W369-I410 HydrophobicContact CH2-CG1 3.74Å; W369-I410 HydrophobicContact CZ2-CB 4.43Å; W369-I410 HydrophobicContact CZ2-CD1 4.45Å; W369-I410 HydrophobicContact CZ2-CG1 3.42Å; W369-I410 VanDerWaalsContact CZ2-CG1 3.42Å; Q405-I410 WeakPolarHBondContact O-CD1 3.31Å; Q405-I410 VanDerWaalsContact O-CG1 3.28Å; Q405-I410 WeakPolarHBondContact O-CG1 3.27Å; W406-I410 HydrophobicContact CG-CD1 4.23Å; I410-Y517 HydrophobicContact CD1-CE2 4.29Å; I410-Y517 HydrophobicContact CG2-CD2 3.4Å; I410-Y517 VanDerWaalsContact CG2-CD2 3.4Å; I410-Y517 HydrophobicContact CG2-CE2 3.79Å; I410-Y517 HydrophobicContact CG2-CG 4.29Å; I410-F518 HydrophobicContact CG1-CE1 4.27Å; I410-F518 HydrophobicContact CG2-CD1 4.38Å; I410-F518 VanDerWaalsContact O-CA 3.26Å; I410-F518 WeakPolarHBondContact O-CA 3.01Å; I410-F518 PolarHBondContact O-N 2.94Å
411	V	98.9	Very high	98.7	Very high	1 Å²	1	5.2 Å²	5.2	1%	0.006	3%	0.026	C	C	.	.	B	Isolated β-bridge	trans	-113.1	120.2	172.8	-172.3	0	0	0	0	108.4	W406 G408 Y512 L513 F516 A521	W406-V411 PolarHBondContact O-N 2.88Å; W406-V411 VanDerWaalsContact O-N 3.16Å; G408-V411 CarbonylContact C-O 3.57Å; G408-V411 VanDerWaalsContact CA-O 3.29Å; G408-V411 WeakPolarHBondContact CA-O 3.44Å; G408-V411 PolarHBondContact N-O 2.95Å; V411-Y512 HydrophobicContact CB-CE1 4.13Å; V411-Y512 HydrophobicContact CG1-CE1 3.75Å; V411-Y512 HydrophobicContact CG1-CE2 4.35Å; V411-Y512 WeakPolarHBondContact CG1-OH 3.41Å; V411-Y512 HydrophobicContact CG2-CE1 4.46Å; V411-L513 HydrophobicContact CB-CD2 4.37Å; V411-L513 HydrophobicContact CG2-CD2 3.8Å; V411-F516 HydrophobicContact CB-CB 4.37Å; V411-F516 HydrophobicContact CG1-CB 3.59Å; V411-F516 HydrophobicContact CG1-CG 4.48Å; V411-F516 HydrophobicContact CG2-CB 3.85Å; V411-A521 HydrophobicContact CG1-CB 3.89Å
412	T	98.8	Very high	98.7	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	2%	0.024	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	149.8	-179.4	-47.1	0	0	0	0	108.7	P243 K246 Y292 G408 K519 N520 A521	P243-T412 HydrophobicContact CB-CG2 4.08Å; K246-T412 WeakPolarHBondContact CE-OG1 3.5Å; K246-T412 PolarHBondContact NZ-OG1 2.9Å; Y292-T412 HydrophobicContact CE1-CG2 3.85Å; G408-T412 WeakPolarHBondContact O-CA 3.41Å; G408-T412 VanDerWaalsContact O-CB 3.29Å; G408-T412 WeakPolarHBondContact O-CB 3.47Å; G408-T412 PolarHBondContact O-OG1 2.99Å; T412-K519 PolarHBondContact N-O 3.36Å; T412-N520 CarbonylContact O-C 3.55Å; T412-N520 WeakPolarHBondContact O-CA 3.35Å; T412-N520 WeakPolarHBondContact O-CB 3.18Å; T412-A521 PolarHBondContact O-N 3.17Å
413	M	98.8	Very high	98.7	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	147.5	165.5	69.5	-62.1	-171.7	0	0	111.7	P243 W415 W416 D418 L419 N422 N520 A521	P243-M413 HydrophobicContact CB-CE 4.17Å; P243-M413 HydrophobicContact CG-CE 4.41Å; M413-W415 VanDerWaalsContact C-N 3.35Å; M413-W415 WeakPolarHBondContact CB-O 3.4Å; M413-W415 WeakPolarHBondContact CG-O 3.32Å; M413-W416 HydrophobicContact CE-CD2 3.86Å; M413-W416 HydrophobicContact CE-CE3 3.16Å; M413-W416 HydrophobicContact CE-CH2 3.5Å; M413-W416 VanDerWaalsContact CE-CH2 3.5Å; M413-W416 HydrophobicContact CE-CZ2 4.19Å; M413-W416 HydrophobicContact CE-CZ3 2.95Å; M413-D418 HydrophobicContact CB-CB 4.02Å; M413-D418 WeakPolarHBondContact CB-O 3.38Å; M413-L419 HydrophobicContact CE-CD1 4.15Å; M413-N422 PolarHBondContact N-OD1 2.82Å; M413-N422 VanDerWaalsContact SD-CG 3.52Å; M413-N422 PolarHBondContact SD-ND2 2.68Å; M413-N422 PolarHBondContact SD-OD1 2.9Å; M413-N520 PolarHBondContact O-ND2 3.13Å; M413-A521 CarbonylContact C-O 3.52Å; M413-A521 WeakPolarHBondContact CA-O 3.43Å
414	D	98.8	Very high	98.7	Very high	37 Å²	37	5 Å²	5	20%	0.198	3%	0.025	C	C	.	.	S	Bend	trans	-69.2	-35.9	175.8	-177.1	56.8	0	0	0	112	N244 N520 A521 K522	N244-D414 WeakPolarHBondContact CB-O 3.49Å; N244-D414 VanDerWaalsContact CB-OD1 3.29Å; N244-D414 WeakPolarHBondContact CB-OD1 3.17Å; N244-D414 PolarHBondContact ND2-OD1 2.97Å; D414-N520 HydrophobicContact CB-CB 4.16Å; D414-A521 PolarHBondContact N-O 2.71Å; D414-K522 HydrophobicContact CB-CG 3.96Å; D414-K522 WeakPolarHBondContact OD2-CE 3.47Å; D414-K522 IonicContact OD2-NZ 3.97Å; D414-K522 PolarHBondContact OD2-NZ 3Å
415	W	98.8	Very high	98.7	Very high	17 Å²	17	4.9 Å²	4.9	6%	0.064	3%	0.025	C	C	.	.	S	Bend	trans	-148.2	164.2	175.1	179.1	-118	0	0	0	110	F93 R94 E242 P243 M413 D417 D418 V471 I477	F93-W415 AromaticContact CE1-CH2 3.75Å; F93-W415 HydrophobicContact CE1-CH2 3.75Å; F93-W415 AromaticContact CE1-CZ2 3.7Å; F93-W415 HydrophobicContact CE1-CZ2 3.7Å; F93-W415 HydrophobicContact CZ-CH2 4.14Å; F93-W415 HydrophobicContact CZ-CZ2 4.39Å; R94-W415 VanDerWaalsContact CZ-CD2 3.43Å; E242-W415 HydrophobicContact CB-CZ3 4.45Å; E242-W415 HydrophobicContact CG-CZ3 3.97Å; P243-W415 HydrophobicContact CG-CE3 4.27Å; M413-W415 VanDerWaalsContact C-N 3.35Å; M413-W415 WeakPolarHBondContact CB-O 3.4Å; M413-W415 WeakPolarHBondContact CG-O 3.32Å; W415-D417 VanDerWaalsContact C-OD1 3.26Å; W415-D417 VanDerWaalsContact CB-OD1 3.24Å; W415-D417 WeakPolarHBondContact CB-OD1 3.32Å; W415-D417 PolarHBondContact O-N 3.1Å; W415-D417 VanDerWaalsContact O-N 3.15Å; W415-D417 VanDerWaalsContact O-OD1 3.12Å; W415-D418 PolarHBondContact O-N 3.5Å; W415-D418 VanDerWaalsContact O-N 3.14Å; W415-V471 HydrophobicContact CZ2-CG2 4.28Å; W415-V471 PolarHBondContact NE1-O 3.05Å; W415-I477 HydrophobicContact CH2-CD1 3.67Å; W415-I477 HydrophobicContact CZ2-CD1 3.75Å; W415-I477 HydrophobicContact CZ2-CG1 4.22Å
416	W	98.7	Very high	98.7	Very high	3 Å²	3	4.9 Å²	4.9	1%	0.011	3%	0.025	C	C	.	.	G	3₁₀ helix	trans	-64.9	-11.7	-176.8	-60.1	110.4	0	0	0	114.2	E229 P230 P243 Y292 M413 D418 L419 V471 I477 F481	E229-W416 HydrophobicContact CG-CH2 3.68Å; E229-W416 HydrophobicContact CG-CZ3 3.96Å; E229-W416 WeakPolarHBondContact OE1-CH2 3.25Å; E229-W416 VanDerWaalsContact OE1-CZ3 3.26Å; E229-W416 WeakPolarHBondContact OE1-CZ3 3.35Å; P230-W416 HydrophobicContact CB-CD2 4.19Å; P230-W416 HydrophobicContact CB-CE3 4.18Å; P230-W416 HydrophobicContact CB-CH2 3.75Å; P230-W416 HydrophobicContact CB-CZ2 3.67Å; P230-W416 HydrophobicContact CB-CZ3 3.96Å; P230-W416 VanDerWaalsContact O-CZ2 3.24Å; P230-W416 WeakPolarHBondContact O-CZ2 3.46Å; P243-W416 HydrophobicContact CB-CZ2 4.38Å; P243-W416 HydrophobicContact CG-CD2 4.45Å; P243-W416 HydrophobicContact CG-CZ2 4.2Å; Y292-W416 HydrophobicContact CD1-CH2 4.02Å; Y292-W416 HydrophobicContact CD1-CZ2 4.39Å; Y292-W416 HydrophobicContact CD2-CH2 4.43Å; Y292-W416 HydrophobicContact CE1-CH2 4.34Å; Y292-W416 HydrophobicContact CG-CH2 4.08Å; M413-W416 HydrophobicContact CE-CD2 3.86Å; M413-W416 HydrophobicContact CE-CE3 3.16Å; M413-W416 HydrophobicContact CE-CH2 3.5Å; M413-W416 VanDerWaalsContact CE-CH2 3.5Å; M413-W416 HydrophobicContact CE-CZ2 4.19Å; M413-W416 HydrophobicContact CE-CZ3 2.95Å; W416-D418 PolarHBondContact O-N 2.91Å; W416-L419 HydrophobicContact CE3-CD1 3.99Å; W416-L419 HydrophobicContact CZ3-CD1 4.02Å; W416-L419 VanDerWaalsContact O-CB 3.3Å; W416-L419 WeakPolarHBondContact O-CB 3.47Å; W416-L419 PolarHBondContact O-N 3.01Å; W416-V471 HydrophobicContact CB-CG2 3.77Å; W416-I477 HydrophobicContact CB-CG1 4.17Å; W416-I477 HydrophobicContact CB-CG2 3.81Å; W416-I477 HydrophobicContact CD2-CG2 3.63Å; W416-I477 HydrophobicContact CE3-CG2 4.19Å; W416-I477 HydrophobicContact CG-CB 4.42Å; W416-I477 HydrophobicContact CG-CD1 4.38Å; W416-I477 HydrophobicContact CG-CG1 4.15Å; W416-I477 HydrophobicContact CG-CG2 3.4Å; W416-F481 HydrophobicContact CE3-CE2 4.21Å; W416-F481 AromaticContact CE3-CZ 3.95Å; W416-F481 HydrophobicContact CE3-CZ 3.95Å; W416-F481 HydrophobicContact CH2-CZ 4.49Å; W416-F481 HydrophobicContact CZ3-CE2 4.27Å; W416-F481 AromaticContact CZ3-CZ 3.6Å; W416-F481 HydrophobicContact CZ3-CZ 3.6Å
417	D	97.9	Very high	98.7	Very high	30 Å²	30	5.2 Å²	5.2	16%	0.16	3%	0.027	C	C	.	.	G	3₁₀ helix	trans	-63.6	-28.7	170.9	59.8	-17.9	0	0	0	113	W415 I468 V469	W415-D417 VanDerWaalsContact C-OD1 3.26Å; W415-D417 VanDerWaalsContact CB-OD1 3.24Å; W415-D417 WeakPolarHBondContact CB-OD1 3.32Å; W415-D417 PolarHBondContact O-N 3.1Å; W415-D417 VanDerWaalsContact O-N 3.15Å; W415-D417 VanDerWaalsContact O-OD1 3.12Å; D417-I468 WeakPolarHBondContact O-CA 3.34Å; D417-V469 WeakPolarHBondContact CA-O 3.48Å; D417-V469 WeakPolarHBondContact CB-O 3.48Å; D417-V469 PolarHBondContact O-N 3.07Å
418	D	98.6	Very high	98.7	Very high	7 Å²	7	5.1 Å²	5.1	4%	0.037	3%	0.026	C	C	.	.	G	3₁₀ helix	trans	-103	23.6	176.2	-84.2	-33.2	0	0	0	112.2	M413 W415 W416 W420 L421 K522 T523	M413-D418 HydrophobicContact CB-CB 4.02Å; M413-D418 WeakPolarHBondContact CB-O 3.38Å; W415-D418 PolarHBondContact O-N 3.5Å; W415-D418 VanDerWaalsContact O-N 3.14Å; W416-D418 PolarHBondContact O-N 2.91Å; D418-W420 PolarHBondContact O-N 2.88Å; D418-L421 HydrophobicContact CB-CD1 3.97Å; D418-L421 HydrophobicContact CB-CG 4.3Å; D418-L421 WeakPolarHBondContact O-CB 3.48Å; D418-L421 WeakPolarHBondContact O-CG 3.43Å; D418-L421 PolarHBondContact O-N 3.43Å; D418-K522 WeakPolarHBondContact OD2-CA 3.24Å; D418-K522 WeakPolarHBondContact OD2-CB 3.44Å; D418-T523 VanDerWaalsContact CG-OG1 3.29Å; D418-T523 WeakPolarHBondContact OD1-CB 3.32Å; D418-T523 PolarHBondContact OD1-OG1 3.45Å; D418-T523 PolarHBondContact OD2-N 3.43Å
419	L	98.7	Very high	98.7	Very high	1 Å²	1	5.1 Å²	5.1	1%	0.005	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-33.5	-179.8	172.7	63.4	0	0	0	113.5	M413 W416 L421 N422 E423 V480 F481	M413-L419 HydrophobicContact CE-CD1 4.15Å; W416-L419 HydrophobicContact CE3-CD1 3.99Å; W416-L419 HydrophobicContact CZ3-CD1 4.02Å; W416-L419 VanDerWaalsContact O-CB 3.3Å; W416-L419 WeakPolarHBondContact O-CB 3.47Å; W416-L419 PolarHBondContact O-N 3.01Å; L419-L421 PolarHBondContact O-N 3.38Å; L419-L421 VanDerWaalsContact O-N 3.08Å; L419-N422 WeakPolarHBondContact O-CB 3.29Å; L419-N422 PolarHBondContact O-N 3.32Å; L419-E423 HydrophobicContact CD1-CG 3.66Å; L419-E423 HydrophobicContact CD2-CG 4.34Å; L419-E423 HydrophobicContact CG-CG 3.79Å; L419-E423 PolarHBondContact O-N 3.4Å; L419-E423 VanDerWaalsContact O-N 3.11Å; L419-V480 HydrophobicContact CD2-CG2 4.22Å; L419-F481 HydrophobicContact CD1-CD1 4.41Å; L419-F481 HydrophobicContact CD1-CE1 3.79Å; L419-F481 HydrophobicContact CD1-CZ 3.85Å; L419-F481 HydrophobicContact CD2-CB 4.42Å; L419-F481 HydrophobicContact CD2-CD1 3.76Å; L419-F481 HydrophobicContact CD2-CD2 3.65Å; L419-F481 HydrophobicContact CD2-CE1 3.83Å; L419-F481 HydrophobicContact CD2-CE2 3.72Å; L419-F481 HydrophobicContact CD2-CG 3.66Å; L419-F481 HydrophobicContact CD2-CZ 3.82Å; L419-F481 HydrophobicContact CG-CE1 4.45Å
420	W	98.8	Very high	98.7	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-59.1	-20.7	178.4	83.4	-75.9	0	0	0	114	D418 N422 G424 F425 I467 L493 T523 F526 W527 T546	D418-W420 PolarHBondContact O-N 2.88Å; W420-N422 PolarHBondContact O-N 3.38Å; W420-G424 VanDerWaalsContact O-CA 3.3Å; W420-G424 WeakPolarHBondContact O-CA 2.93Å; W420-G424 PolarHBondContact O-N 2.67Å; W420-F425 HydrophobicContact CE3-CE2 4.39Å; W420-F425 HydrophobicContact CH2-CE2 4.17Å; W420-F425 AromaticContact CZ3-CE2 3.95Å; W420-F425 HydrophobicContact CZ3-CE2 3.95Å; W420-I467 HydrophobicContact CB-CG2 3.52Å; W420-I467 VanDerWaalsContact CD1-CG2 3.47Å; W420-I467 HydrophobicContact CD2-CG2 3.54Å; W420-I467 HydrophobicContact CE3-CG2 4.2Å; W420-I467 HydrophobicContact CG-CG2 3.17Å; W420-L493 HydrophobicContact CH2-CD2 4.47Å; W420-L493 HydrophobicContact CZ3-CD1 4.41Å; W420-L493 HydrophobicContact CZ3-CD2 4.03Å; W420-L493 HydrophobicContact CZ3-CG 4.09Å; W420-T523 HydrophobicContact CZ2-CG2 3.72Å; W420-T523 PolarHBondContact NE1-OG1 3.4Å; W420-F526 HydrophobicContact CH2-CD1 4.48Å; W420-W527 AromaticContact CH2-CH2 3.41Å; W420-W527 HydrophobicContact CH2-CH2 3.41Å; W420-W527 VanDerWaalsContact CH2-CH2 3.41Å; W420-W527 AromaticContact CH2-CZ2 3.82Å; W420-W527 HydrophobicContact CH2-CZ2 3.82Å; W420-W527 HydrophobicContact CH2-CZ3 4.2Å; W420-W527 AromaticContact CZ2-CH2 3.95Å; W420-W527 HydrophobicContact CZ2-CH2 3.95Å; W420-W527 AromaticContact CZ2-CZ2 3.88Å; W420-W527 HydrophobicContact CZ2-CZ2 3.88Å; W420-W527 HydrophobicContact CZ3-CH2 4.44Å; W420-T546 HydrophobicContact CZ2-CG2 4.29Å
421	L	98.9	Very high	98.7	Very high	2 Å²	2	6.4 Å²	6.4	1%	0.01	3%	0.032	C	C	.	.	H	α-helix	trans	-64.9	-22.1	172.9	-67.1	-179.2	0	0	0	112.8	D418 L419 F425 F526	D418-L421 HydrophobicContact CB-CD1 3.97Å; D418-L421 HydrophobicContact CB-CG 4.3Å; D418-L421 WeakPolarHBondContact O-CB 3.48Å; D418-L421 WeakPolarHBondContact O-CG 3.43Å; D418-L421 PolarHBondContact O-N 3.43Å; L419-L421 PolarHBondContact O-N 3.38Å; L419-L421 VanDerWaalsContact O-N 3.08Å; L421-F425 HydrophobicContact CD2-CE2 3.82Å; L421-F425 HydrophobicContact CD2-CZ 4.42Å; L421-F425 WeakPolarHBondContact O-CD2 3.24Å; L421-F526 HydrophobicContact CD2-CB 4.3Å
422	N	98.8	Very high	98.7	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.005	3%	0.034	C	C	.	.	H	α-helix	trans	-91.3	-63.6	169	-62.8	23	0	0	0	108.8	Y292 G408 M413 L419 W420 F425 A426	Y292-N422 PolarHBondContact OH-ND2 2.82Å; Y292-N422 VanDerWaalsContact OH-ND2 3.11Å; G408-N422 VanDerWaalsContact CA-CG 3.49Å; G408-N422 VanDerWaalsContact CA-ND2 3.32Å; G408-N422 WeakPolarHBondContact CA-ND2 3.34Å; M413-N422 PolarHBondContact N-OD1 2.82Å; M413-N422 VanDerWaalsContact SD-CG 3.52Å; M413-N422 PolarHBondContact SD-ND2 2.68Å; M413-N422 PolarHBondContact SD-OD1 2.9Å; L419-N422 WeakPolarHBondContact O-CB 3.29Å; L419-N422 PolarHBondContact O-N 3.32Å; W420-N422 PolarHBondContact O-N 3.38Å; N422-F425 PolarHBondContact O-N 3.45Å; N422-A426 PolarHBondContact O-N 3.44Å
423	E	98.8	Very high	98.7	Very high	3 Å²	3	6.8 Å²	6.8	1%	0.014	3%	0.034	C	C	.	.	H	α-helix	trans	-75	-41.6	-163.7	-60.7	-68.3	-159.4	0	0	113.6	H400 H404 L419 F425 A426 S427 Y486	H400-E423 IonicContact NE2-OE2 3.48Å; H400-E423 PolarHBondContact NE2-OE2 3.05Å; H404-E423 IonicContact CE1-OE2 3.28Å; H404-E423 PolarHBondContact CE1-OE2 3.43Å; H404-E423 IonicContact NE2-OE2 2.63Å; H404-E423 PolarHBondContact NE2-OE2 2.81Å; L419-E423 HydrophobicContact CD1-CG 3.66Å; L419-E423 HydrophobicContact CD2-CG 4.34Å; L419-E423 HydrophobicContact CG-CG 3.79Å; L419-E423 PolarHBondContact O-N 3.4Å; L419-E423 VanDerWaalsContact O-N 3.11Å; E423-F425 VanDerWaalsContact C-N 3.25Å; E423-F425 PolarHBondContact O-N 2.91Å; E423-A426 PolarHBondContact O-N 3.47Å; E423-S427 VanDerWaalsContact O-CB 3.32Å; E423-S427 WeakPolarHBondContact O-CB 3.49Å; E423-S427 PolarHBondContact O-N 3.15Å; E423-S427 PolarHBondContact O-OG 3.08Å; E423-Y486 HydrophobicContact CB-CD1 3.97Å; E423-Y486 HydrophobicContact CB-CD2 4Å; E423-Y486 HydrophobicContact CB-CE1 3.99Å; E423-Y486 HydrophobicContact CB-CE2 4.06Å; E423-Y486 HydrophobicContact CB-CG 4Å; E423-Y486 HydrophobicContact CG-CD2 4.36Å; E423-Y486 HydrophobicContact CG-CE1 4.07Å; E423-Y486 HydrophobicContact CG-CE2 3.91Å; E423-Y486 VanDerWaalsContact OE1-CZ 3.26Å; E423-Y486 PolarHBondContact OE1-OH 2.86Å; E423-Y486 WeakPolarHBondContact OE2-CE1 3.39Å; E423-Y486 VanDerWaalsContact OE2-CZ 3.25Å; E423-Y486 PolarHBondContact OE2-OH 2.78Å
424	G	98.8	Very high	98.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-65	-33.5	175.7	0	0	0	0	0	111.9	W420 F428 S485 A490 L493	W420-G424 VanDerWaalsContact O-CA 3.3Å; W420-G424 WeakPolarHBondContact O-CA 2.93Å; W420-G424 PolarHBondContact O-N 2.67Å; G424-F428 VanDerWaalsContact O-CB 3.29Å; G424-F428 WeakPolarHBondContact O-CB 3.37Å; G424-F428 PolarHBondContact O-N 3.2Å; G424-S485 VanDerWaalsContact CA-O 3.31Å; G424-S485 WeakPolarHBondContact CA-O 3.47Å; G424-S485 PolarHBondContact N-O 3.06Å; G424-A490 WeakPolarHBondContact O-CA 3.34Å; G424-L493 WeakPolarHBondContact O-CD1 3.37Å
425	F	98.9	Very high	98.7	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-72.3	-45.7	175.8	-80	-108.3	0	0	0	111.8	F407 W420 L421 N422 E423 F428 F429 L493 F526	F407-F425 HydrophobicContact CB-CB 3.92Å; F407-F425 HydrophobicContact CB-CG 4.49Å; F407-F425 HydrophobicContact CD1-CB 4.08Å; F407-F425 AromaticContact CD1-CD1 3.28Å; F407-F425 HydrophobicContact CD1-CD1 3.28Å; F407-F425 AromaticContact CD1-CE1 3.78Å; F407-F425 HydrophobicContact CD1-CE1 3.78Å; F407-F425 AromaticContact CD1-CG 3.76Å; F407-F425 HydrophobicContact CD1-CG 3.76Å; F407-F425 HydrophobicContact CD2-CD1 4.37Å; F407-F425 AromaticContact CE1-CD1 3.26Å; F407-F425 HydrophobicContact CE1-CD1 3.26Å; F407-F425 AromaticContact CE1-CE1 3.38Å; F407-F425 HydrophobicContact CE1-CE1 3.38Å; F407-F425 HydrophobicContact CE1-CG 4.19Å; F407-F425 HydrophobicContact CE1-CZ 4.36Å; F407-F425 HydrophobicContact CE2-CD1 4.34Å; F407-F425 HydrophobicContact CG-CB 3.97Å; F407-F425 AromaticContact CG-CD1 3.87Å; F407-F425 HydrophobicContact CG-CD1 3.87Å; F407-F425 HydrophobicContact CG-CG 4.16Å; F407-F425 AromaticContact CZ-CD1 3.83Å; F407-F425 HydrophobicContact CZ-CD1 3.83Å; F407-F425 HydrophobicContact CZ-CE1 4.06Å; W420-F425 HydrophobicContact CE3-CE2 4.39Å; W420-F425 HydrophobicContact CH2-CE2 4.17Å; W420-F425 AromaticContact CZ3-CE2 3.95Å; W420-F425 HydrophobicContact CZ3-CE2 3.95Å; L421-F425 HydrophobicContact CD2-CE2 3.82Å; L421-F425 HydrophobicContact CD2-CZ 4.42Å; L421-F425 WeakPolarHBondContact O-CD2 3.24Å; N422-F425 PolarHBondContact O-N 3.45Å; E423-F425 VanDerWaalsContact C-N 3.25Å; E423-F425 PolarHBondContact O-N 2.91Å; F425-F428 PolarHBondContact O-N 3.43Å; F425-F429 HydrophobicContact CD1-CD2 4.46Å; F425-F429 AromaticContact CD1-CE2 3.95Å; F425-F429 HydrophobicContact CD1-CE2 3.95Å; F425-F429 VanDerWaalsContact O-CD2 3.31Å; F425-F429 WeakPolarHBondContact O-CD2 3.4Å; F425-F429 PolarHBondContact O-N 3.33Å; F425-L493 HydrophobicContact CB-CD1 4.45Å; F425-L493 HydrophobicContact CD1-CD1 4.19Å; F425-L493 HydrophobicContact CD2-CD1 3.7Å; F425-L493 HydrophobicContact CE1-CD1 4.39Å; F425-L493 HydrophobicContact CE1-CD2 4.41Å; F425-L493 HydrophobicContact CE2-CD1 3.92Å; F425-L493 HydrophobicContact CE2-CD2 4.14Å; F425-L493 HydrophobicContact CG-CD1 3.86Å; F425-L493 HydrophobicContact CZ-CD1 4.28Å; F425-L493 HydrophobicContact CZ-CD2 3.99Å; F425-F526 HydrophobicContact CE1-CD2 4.28Å; F425-F526 HydrophobicContact CE1-CE1 4.11Å; F425-F526 AromaticContact CE1-CE2 3.68Å; F425-F526 HydrophobicContact CE1-CE2 3.68Å; F425-F526 AromaticContact CE1-CZ 3.58Å; F425-F526 HydrophobicContact CE1-CZ 3.58Å; F425-F526 HydrophobicContact CE2-CD1 4.46Å; F425-F526 HydrophobicContact CE2-CE1 4.34Å; F425-F526 AromaticContact CZ-CD1 3.71Å; F425-F526 HydrophobicContact CZ-CD1 3.71Å; F425-F526 AromaticContact CZ-CD2 3.9Å; F425-F526 HydrophobicContact CZ-CD2 3.9Å; F425-F526 AromaticContact CZ-CE1 3.41Å; F425-F526 HydrophobicContact CZ-CE1 3.41Å; F425-F526 VanDerWaalsContact CZ-CE1 3.41Å; F425-F526 AromaticContact CZ-CE2 3.62Å; F425-F526 HydrophobicContact CZ-CE2 3.62Å; F425-F526 AromaticContact CZ-CG 3.95Å; F425-F526 HydrophobicContact CZ-CG 3.95Å; F425-F526 AromaticContact CZ-CZ 3.36Å; F425-F526 HydrophobicContact CZ-CZ 3.36Å
426	A	98.9	Very high	98.7	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-60.7	-46.4	175.6	0	0	0	0	0	111.6	H400 V403 H404 N422 E423 F428 F429 E430	H400-A426 VanDerWaalsContact CE1-CB 3.43Å; H400-A426 WeakPolarHBondContact CE1-CB 3.42Å; V403-A426 HydrophobicContact CB-CB 4.25Å; V403-A426 HydrophobicContact CG1-CB 4.26Å; H404-A426 WeakPolarHBondContact CE1-CB 3.41Å; H404-A426 VanDerWaalsContact NE2-CB 3.34Å; H404-A426 WeakPolarHBondContact NE2-CB 3.2Å; N422-A426 PolarHBondContact O-N 3.44Å; E423-A426 PolarHBondContact O-N 3.47Å; A426-F428 VanDerWaalsContact C-N 3.28Å; A426-F428 PolarHBondContact O-N 3.21Å; A426-F429 PolarHBondContact O-N 3.03Å; A426-E430 WeakPolarHBondContact O-CB 3.17Å; A426-E430 PolarHBondContact O-N 2.99Å
427	S	98.9	Very high	98.6	Very high	6 Å²	6	13 Å²	13	4%	0.042	7%	0.066	C	C	.	.	H	α-helix	trans	-63.5	-27.3	173.7	-74.9	0	0	0	0	114.1	H400 E423 E430 Y431	H400-S427 PolarHBondContact CE1-N 2.8Å; H400-S427 PolarHBondContact CE1-OG 3.36Å; H400-S427 PolarHBondContact ND1-N 3.27Å; E423-S427 VanDerWaalsContact O-CB 3.32Å; E423-S427 WeakPolarHBondContact O-CB 3.49Å; E423-S427 PolarHBondContact O-N 3.15Å; E423-S427 PolarHBondContact O-OG 3.08Å; S427-E430 WeakPolarHBondContact O-CG 3.34Å; S427-Y431 WeakPolarHBondContact O-CD2 3.49Å; S427-Y431 WeakPolarHBondContact O-CE2 3.4Å
428	F	98.9	Very high	98.7	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-78.5	-50.5	174.6	171.1	-100.4	0	0	0	111.9	G424 F425 A426 E430 I432 M447 A490 L493 R494 E497 F505	G424-F428 VanDerWaalsContact O-CB 3.29Å; G424-F428 WeakPolarHBondContact O-CB 3.37Å; G424-F428 PolarHBondContact O-N 3.2Å; F425-F428 PolarHBondContact O-N 3.43Å; A426-F428 VanDerWaalsContact C-N 3.28Å; A426-F428 PolarHBondContact O-N 3.21Å; F428-E430 VanDerWaalsContact C-N 3.33Å; F428-E430 PolarHBondContact O-N 3.48Å; F428-I432 HydrophobicContact CD1-CD1 4.31Å; F428-I432 HydrophobicContact CE1-CD1 3.57Å; F428-I432 HydrophobicContact CZ-CD1 3.85Å; F428-M447 HydrophobicContact CD2-CE 4.28Å; F428-M447 HydrophobicContact CD2-SD 4.48Å; F428-A490 HydrophobicContact CB-CB 4.02Å; F428-L493 HydrophobicContact CB-CB 4.22Å; F428-L493 HydrophobicContact CB-CD1 3.93Å; F428-L493 HydrophobicContact CD1-CB 4.5Å; F428-L493 HydrophobicContact CD2-CB 3.99Å; F428-L493 HydrophobicContact CG-CB 3.96Å; F428-L493 HydrophobicContact CG-CD1 4.32Å; F428-R494 HydrophobicContact CD2-CB 4.22Å; F428-R494 HydrophobicContact CE2-CB 4.04Å; F428-E497 HydrophobicContact CZ-CB 4.2Å; F428-E497 HydrophobicContact CZ-CG 4.37Å; F428-E497 WeakPolarHBondContact CZ-OE2 3.2Å; F428-F505 HydrophobicContact CD1-CE1 4.3Å; F428-F505 HydrophobicContact CE1-CD1 4.44Å; F428-F505 AromaticContact CE1-CE1 3.55Å; F428-F505 HydrophobicContact CE1-CE1 3.55Å; F428-F505 HydrophobicContact CE1-CZ 4.11Å; F428-F505 HydrophobicContact CZ-CE1 4.08Å
429	F	98.9	Very high	98.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-76.1	-18	-174.7	-77.4	-69.3	0	0	0	113	F340 Y343 F344 V403 F407 F425 A426 Y431 I432 G433 F505	F340-F429 HydrophobicContact CE1-CB 4.13Å; F340-F429 HydrophobicContact CE1-CD1 4.42Å; F340-F429 HydrophobicContact CZ-CB 4.16Å; F340-F429 WeakPolarHBondContact CZ-O 3.4Å; Y343-F429 HydrophobicContact CD1-CE1 4.22Å; Y343-F429 HydrophobicContact CE1-CD1 4.3Å; Y343-F429 AromaticContact CE1-CE1 3.44Å; Y343-F429 HydrophobicContact CE1-CE1 3.44Å; Y343-F429 VanDerWaalsContact CE1-CE1 3.44Å; Y343-F429 HydrophobicContact CE1-CZ 4.1Å; Y343-F429 AromaticContact CZ-CE1 3.88Å; F344-F429 HydrophobicContact CE1-CD1 4.2Å; F344-F429 HydrophobicContact CE1-CD2 4.36Å; F344-F429 AromaticContact CE1-CE1 3.85Å; F344-F429 HydrophobicContact CE1-CE1 3.85Å; F344-F429 AromaticContact CE1-CE2 3.99Å; F344-F429 HydrophobicContact CE1-CE2 3.99Å; F344-F429 HydrophobicContact CE1-CG 4.48Å; F344-F429 AromaticContact CE1-CZ 3.73Å; F344-F429 HydrophobicContact CE1-CZ 3.73Å; F344-F429 AromaticContact CZ-CD1 3.97Å; F344-F429 HydrophobicContact CZ-CD1 3.97Å; F344-F429 HydrophobicContact CZ-CD2 4.04Å; F344-F429 HydrophobicContact CZ-CE1 4.1Å; F344-F429 HydrophobicContact CZ-CE2 4.14Å; F344-F429 AromaticContact CZ-CG 3.98Å; F344-F429 HydrophobicContact CZ-CG 3.98Å; F344-F429 HydrophobicContact CZ-CZ 4.18Å; V403-F429 HydrophobicContact CB-CB 4.28Å; V403-F429 HydrophobicContact CG1-CB 3.92Å; V403-F429 HydrophobicContact CG1-CD2 4.1Å; V403-F429 HydrophobicContact CG1-CG 4.39Å; V403-F429 HydrophobicContact CG2-CB 3.33Å; V403-F429 HydrophobicContact CG2-CG 4.43Å; F407-F429 HydrophobicContact CE2-CD2 4.47Å; F407-F429 HydrophobicContact CE2-CE2 4.03Å; F407-F429 HydrophobicContact CZ-CE2 4.31Å; F425-F429 HydrophobicContact CD1-CD2 4.46Å; F425-F429 AromaticContact CD1-CE2 3.95Å; F425-F429 HydrophobicContact CD1-CE2 3.95Å; F425-F429 VanDerWaalsContact O-CD2 3.31Å; F425-F429 WeakPolarHBondContact O-CD2 3.4Å; F425-F429 PolarHBondContact O-N 3.33Å; A426-F429 PolarHBondContact O-N 3.03Å; F429-Y431 PolarHBondContact O-N 3.06Å; F429-I432 HydrophobicContact CD1-CB 4.48Å; F429-I432 HydrophobicContact CD1-CD1 3.54Å; F429-I432 HydrophobicContact CE1-CD1 3.84Å; F429-I432 WeakPolarHBondContact O-CB 3.34Å; F429-I432 PolarHBondContact O-N 3.34Å; F429-G433 PolarHBondContact O-N 2.95Å; F429-F505 HydrophobicContact CE1-CE1 4.39Å; F429-F505 HydrophobicContact CE2-CE1 4.47Å; F429-F505 AromaticContact CZ-CE1 3.74Å; F429-F505 HydrophobicContact CZ-CE1 3.74Å; F429-F505 HydrophobicContact CZ-CZ 4.48Å
430	E	98.7	Very high	98.5	Very high	21 Å²	21	23 Å²	23	10%	0.098	13%	0.129	C	C	.	.	H	α-helix	trans	-55.3	-39.6	175.3	71	179.1	-126.6	0	0	111.9	A399 H400 A426 S427 F428 I432 G433 V434	A399-E430 HydrophobicContact CB-CB 3.97Å; A399-E430 WeakPolarHBondContact CB-O 3.21Å; H400-E430 HydrophobicContact CB-CB 4.23Å; H400-E430 IonicContact CE1-OE2 3.62Å; H400-E430 IonicContact CG-OE2 2.58Å; H400-E430 IonicContact ND1-OE2 2.76Å; H400-E430 PolarHBondContact ND1-OE2 2.67Å; A426-E430 WeakPolarHBondContact O-CB 3.17Å; A426-E430 PolarHBondContact O-N 2.99Å; S427-E430 WeakPolarHBondContact O-CG 3.34Å; F428-E430 VanDerWaalsContact C-N 3.33Å; F428-E430 PolarHBondContact O-N 3.48Å; E430-I432 VanDerWaalsContact C-N 3.32Å; E430-I432 PolarHBondContact O-N 3.31Å; E430-G433 PolarHBondContact O-N 2.71Å; E430-V434 VanDerWaalsContact O-CG2 3.31Å; E430-V434 WeakPolarHBondContact O-CG2 3.43Å; E430-V434 PolarHBondContact O-N 2.9Å
431	Y	98.7	Very high	98.5	Very high	5 Å²	5	23.5 Å²	23.5	2%	0.02	13%	0.131	C	C	.	.	H	α-helix	trans	-64	-37.7	177.4	-66.2	-76.8	0	0	0	112.4	S427 F429 E435 M443 I446 M447 S450 D451	S427-Y431 WeakPolarHBondContact O-CD2 3.49Å; S427-Y431 WeakPolarHBondContact O-CE2 3.4Å; F429-Y431 PolarHBondContact O-N 3.06Å; Y431-E435 WeakPolarHBondContact O-CB 3.39Å; Y431-E435 PolarHBondContact O-N 3.12Å; Y431-M443 HydrophobicContact CD1-CB 4.19Å; Y431-M443 HydrophobicContact CD1-CE 3.69Å; Y431-M443 WeakPolarHBondContact CD1-O 3.43Å; Y431-M443 HydrophobicContact CE1-CE 3.95Å; Y431-I446 HydrophobicContact CE1-CB 4.34Å; Y431-I446 HydrophobicContact CE1-CG2 4.07Å; Y431-M447 HydrophobicContact CD1-CB 3.89Å; Y431-M447 HydrophobicContact CD2-CB 3.92Å; Y431-M447 HydrophobicContact CD2-CG 3.81Å; Y431-M447 HydrophobicContact CD2-SD 3.9Å; Y431-M447 HydrophobicContact CE1-CB 3.77Å; Y431-M447 HydrophobicContact CE1-CG 4.43Å; Y431-M447 HydrophobicContact CE2-CB 3.8Å; Y431-M447 HydrophobicContact CE2-CG 3.55Å; Y431-M447 HydrophobicContact CE2-SD 4.17Å; Y431-M447 HydrophobicContact CG-CB 3.98Å; Y431-M447 HydrophobicContact CG-CG 4.36Å; Y431-S450 WeakPolarHBondContact OH-CB 3.31Å; Y431-D451 WeakPolarHBondContact CE2-OD2 3.26Å; Y431-D451 VanDerWaalsContact CZ-OD2 3.23Å; Y431-D451 PolarHBondContact OH-OD2 2.84Å
432	I	98.6	Very high	98.4	Very high	9 Å²	9	25.1 Å²	25.1	5%	0.046	15%	0.147	C	C	.	.	H	α-helix	trans	-69.9	-44.4	178.4	-63.6	170.9	0	0	0	110	F428 F429 E430 E435 E436 R444	F428-I432 HydrophobicContact CD1-CD1 4.31Å; F428-I432 HydrophobicContact CE1-CD1 3.57Å; F428-I432 HydrophobicContact CZ-CD1 3.85Å; F429-I432 HydrophobicContact CD1-CB 4.48Å; F429-I432 HydrophobicContact CD1-CD1 3.54Å; F429-I432 HydrophobicContact CE1-CD1 3.84Å; F429-I432 WeakPolarHBondContact O-CB 3.34Å; F429-I432 PolarHBondContact O-N 3.34Å; E430-I432 VanDerWaalsContact C-N 3.32Å; E430-I432 PolarHBondContact O-N 3.31Å; I432-E435 PolarHBondContact O-N 3.34Å; I432-E436 PolarHBondContact O-N 3.24Å; I432-E436 VanDerWaalsContact O-N 3.15Å; I432-R444 VanDerWaalsContact CG1-CZ 3.43Å; I432-R444 VanDerWaalsContact CG1-NH2 3.29Å
433	G	98.6	Very high	98.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.6	-48.5	176.3	0	0	0	0	0	112	I336 F429 E430 E435 E436 A437	I336-G433 WeakPolarHBondContact CG1-O 3.12Å; F429-G433 PolarHBondContact O-N 2.95Å; E430-G433 PolarHBondContact O-N 2.71Å; G433-E435 PolarHBondContact O-N 2.92Å; G433-E436 PolarHBondContact O-N 2.9Å; G433-A437 PolarHBondContact O-N 3.41Å
434	V	98.8	Very high	98.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.4	-37.6	178.8	-179.6	0	0	0	0	111.7	A395 A399 E430 E436 A437 E438 W441 M443	A395-V434 HydrophobicContact CB-CG1 4.07Å; A395-V434 HydrophobicContact CB-CG2 3.97Å; A395-V434 WeakPolarHBondContact O-CG2 3.25Å; A399-V434 HydrophobicContact CB-CG2 3.87Å; E430-V434 VanDerWaalsContact O-CG2 3.31Å; E430-V434 WeakPolarHBondContact O-CG2 3.43Å; E430-V434 PolarHBondContact O-N 2.9Å; V434-E436 VanDerWaalsContact C-N 3.26Å; V434-E436 PolarHBondContact O-N 2.85Å; V434-A437 PolarHBondContact O-N 3.02Å; V434-A437 VanDerWaalsContact O-N 3.13Å; V434-E438 PolarHBondContact O-N 2.94Å; V434-W441 HydrophobicContact CG1-CE3 3.71Å; V434-W441 HydrophobicContact CG1-CZ3 3.8Å; V434-M443 HydrophobicContact CB-CE 4.14Å; V434-M443 HydrophobicContact CB-CG 4.01Å; V434-M443 HydrophobicContact CB-SD 4.48Å; V434-M443 HydrophobicContact CG1-CE 3.98Å; V434-M443 HydrophobicContact CG1-CG 3.67Å; V434-M443 HydrophobicContact CG1-SD 3.82Å
435	E	98.1	Very high	97.9	Very high	64 Å²	64	29.7 Å²	29.7	30%	0.299	17%	0.17	S	C	.	.	H	α-helix	trans	-58.7	-37.9	175.2	-177.8	166.9	-114.2	0	0	112	Y431 I432 G433 E438 P439 M443 R444	Y431-E435 WeakPolarHBondContact O-CB 3.39Å; Y431-E435 PolarHBondContact O-N 3.12Å; I432-E435 PolarHBondContact O-N 3.34Å; G433-E435 PolarHBondContact O-N 2.92Å; E435-E438 CarbonylContact O-C 3.55Å; E435-P439 WeakPolarHBondContact O-CA 3.39Å; E435-P439 WeakPolarHBondContact O-CB 3.49Å; E435-M443 HydrophobicContact CB-CB 4.33Å; E435-R444 IonicContact OE2-NE 3.6Å
436	E	98.2	Very high	97.9	Very high	101 Å²	101	30 Å²	30	47%	0.472	17%	0.171	S	C	.	.	H	α-helix	trans	-66.4	-42.8	173.4	-177.3	66.3	-156.7	0	0	112.2	V335 H339 I432 G433 V434	V335-E436 HydrophobicContact CG1-CG 3.95Å; H339-E436 HydrophobicContact CB-CB 4.42Å; H339-E436 HydrophobicContact CB-CG 3.9Å; H339-E436 IonicContact CE1-OE2 3.94Å; H339-E436 IonicContact ND1-OE2 3.13Å; H339-E436 PolarHBondContact ND1-OE2 2.96Å; I432-E436 PolarHBondContact O-N 3.24Å; I432-E436 VanDerWaalsContact O-N 3.15Å; G433-E436 PolarHBondContact O-N 2.9Å; V434-E436 VanDerWaalsContact C-N 3.26Å; V434-E436 PolarHBondContact O-N 2.85Å
437	A	98.4	Very high	97.8	Very high	22 Å²	22	30 Å²	30	18%	0.182	17%	0.171	C	C	.	.	H	α-helix	trans	-73.4	-32.4	-178.6	0	0	0	0	0	113.6	V332 V335 I336 G433 V434	V332-A437 HydrophobicContact CB-CB 4.41Å; V332-A437 HydrophobicContact CG1-CB 4.33Å; V335-A437 HydrophobicContact CB-CB 4.4Å; V335-A437 HydrophobicContact CG1-CB 4.18Å; I336-A437 HydrophobicContact CD1-CB 4.13Å; I336-A437 HydrophobicContact CG1-CB 3.89Å; G433-A437 PolarHBondContact O-N 3.41Å; V434-A437 PolarHBondContact O-N 3.02Å; V434-A437 VanDerWaalsContact O-N 3.13Å
438	E	98.3	Very high	97.8	Very high	34 Å²	34	29.7 Å²	29.7	16%	0.159	17%	0.169	C	C	.	.			trans	-140.4	70	-172.1	-63.4	-81.9	-165.1	0	0	110.2	Y328 K391 V434 E435 T440 W441	Y328-E438 WeakPolarHBondContact CE2-OE1 3.29Å; Y328-E438 PolarHBondContact OH-OE1 2.92Å; K391-E438 VanDerWaalsContact CE-OE1 3.27Å; K391-E438 WeakPolarHBondContact CE-OE1 3.46Å; K391-E438 IonicContact NZ-OE1 3.45Å; K391-E438 PolarHBondContact NZ-OE1 3.42Å; K391-E438 IonicContact NZ-OE2 3.63Å; V434-E438 PolarHBondContact O-N 2.94Å; E435-E438 CarbonylContact O-C 3.55Å; E438-T440 PolarHBondContact O-N 3.33Å; E438-W441 HydrophobicContact CB-CD2 3.53Å; E438-W441 HydrophobicContact CB-CE3 3.87Å; E438-W441 HydrophobicContact CB-CG 3.87Å; E438-W441 HydrophobicContact CB-CH2 4.33Å; E438-W441 HydrophobicContact CB-CZ2 4.02Å; E438-W441 HydrophobicContact CB-CZ3 4.21Å; E438-W441 VanDerWaalsContact CD-CZ2 3.47Å; E438-W441 HydrophobicContact CG-CD2 4.08Å; E438-W441 HydrophobicContact CG-CE3 4.22Å; E438-W441 HydrophobicContact CG-CH2 3.78Å; E438-W441 HydrophobicContact CG-CZ2 3.61Å; E438-W441 HydrophobicContact CG-CZ3 4.04Å; E438-W441 PolarHBondContact O-N 3.18Å; E438-W441 VanDerWaalsContact O-N 3.16Å
439	P	97.6	Very high	97.7	Very high	100 Å²	100	30.5 Å²	30.5	65%	0.649	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-9.2	-167.3	25.2	-36.4	0	0	0	115.5	E435	E435-P439 WeakPolarHBondContact O-CA 3.39Å; E435-P439 WeakPolarHBondContact O-CB 3.49Å
440	T	97.2	Very high	97.7	Very high	116 Å²	116	33.1 Å²	33.1	71%	0.712	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-1.4	-179.9	59.8	0	0	0	0	113.6	E438	E438-T440 PolarHBondContact O-N 3.33Å
441	W	97.7	Very high	97.7	Very high	10 Å²	10	32.7 Å²	32.7	4%	0.038	19%	0.19	C	C	.	.	S	Bend	trans	-85.9	-13	-173.1	-70.4	13.1	0	0	0	114.5	Y328 K391 Q392 A395 V434 E438 M443 Q750	Y328-W441 WeakPolarHBondContact OH-CH2 3.41Å; K391-W441 HydrophobicContact CB-CH2 4.44Å; K391-W441 HydrophobicContact CD-CH2 4.24Å; K391-W441 HydrophobicContact CD-CZ2 3.96Å; K391-W441 HydrophobicContact CG-CH2 4.06Å; K391-W441 HydrophobicContact CG-CZ2 4.3Å; Q392-W441 HydrophobicContact CB-CE3 4.27Å; Q392-W441 HydrophobicContact CB-CH2 4.24Å; Q392-W441 HydrophobicContact CB-CZ3 3.74Å; Q392-W441 HydrophobicContact CG-CE3 3.98Å; Q392-W441 HydrophobicContact CG-CZ3 3.81Å; A395-W441 HydrophobicContact CB-CH2 4.38Å; A395-W441 HydrophobicContact CB-CZ3 4.07Å; V434-W441 HydrophobicContact CG1-CE3 3.71Å; V434-W441 HydrophobicContact CG1-CZ3 3.8Å; E438-W441 HydrophobicContact CB-CD2 3.53Å; E438-W441 HydrophobicContact CB-CE3 3.87Å; E438-W441 HydrophobicContact CB-CG 3.87Å; E438-W441 HydrophobicContact CB-CH2 4.33Å; E438-W441 HydrophobicContact CB-CZ2 4.02Å; E438-W441 HydrophobicContact CB-CZ3 4.21Å; E438-W441 VanDerWaalsContact CD-CZ2 3.47Å; E438-W441 HydrophobicContact CG-CD2 4.08Å; E438-W441 HydrophobicContact CG-CE3 4.22Å; E438-W441 HydrophobicContact CG-CH2 3.78Å; E438-W441 HydrophobicContact CG-CZ2 3.61Å; E438-W441 HydrophobicContact CG-CZ3 4.04Å; E438-W441 PolarHBondContact O-N 3.18Å; E438-W441 VanDerWaalsContact O-N 3.16Å; W441-M443 HydrophobicContact CB-CG 4.09Å; W441-M443 HydrophobicContact CB-SD 4.09Å; W441-M443 HydrophobicContact CE3-SD 3.95Å; W441-Q750 HydrophobicContact CD2-CG 3.89Å; W441-Q750 HydrophobicContact CG-CB 4.38Å; W441-Q750 HydrophobicContact CG-CG 3.94Å; W441-Q750 HydrophobicContact CZ2-CG 4.21Å
442	G	96	Very high	97.7	Very high	35 Å²	35	32.5 Å²	32.5	36%	0.361	19%	0.189	S	C	.	.			trans	64	40.2	180	0	0	0	0	0	113	R444 D445 I446	G442-R444 PolarHBondContact O-N 2.83Å; G442-R444 VanDerWaalsContact O-N 3.13Å; G442-D445 PolarHBondContact O-N 2.88Å; G442-I446 PolarHBondContact O-N 2.86Å
443	M	97.6	Very high	97.7	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-58.4	-29.4	-170.3	-71.4	-58.2	-62.9	0	0	114	Q392 Y431 V434 E435 W441 D445 I446 M447	Q392-M443 HydrophobicContact CG-CE 4.32Å; Q392-M443 HydrophobicContact CG-SD 4.23Å; Y431-M443 HydrophobicContact CD1-CB 4.19Å; Y431-M443 HydrophobicContact CD1-CE 3.69Å; Y431-M443 WeakPolarHBondContact CD1-O 3.43Å; Y431-M443 HydrophobicContact CE1-CE 3.95Å; V434-M443 HydrophobicContact CB-CE 4.14Å; V434-M443 HydrophobicContact CB-CG 4.01Å; V434-M443 HydrophobicContact CB-SD 4.48Å; V434-M443 HydrophobicContact CG1-CE 3.98Å; V434-M443 HydrophobicContact CG1-CG 3.67Å; V434-M443 HydrophobicContact CG1-SD 3.82Å; E435-M443 HydrophobicContact CB-CB 4.33Å; W441-M443 HydrophobicContact CB-CG 4.09Å; W441-M443 HydrophobicContact CB-SD 4.09Å; W441-M443 HydrophobicContact CE3-SD 3.95Å; M443-D445 VanDerWaalsContact C-N 3.28Å; M443-D445 PolarHBondContact O-N 3.15Å; M443-I446 HydrophobicContact CE-CB 4.48Å; M443-I446 HydrophobicContact CE-CG2 4.29Å; M443-I446 WeakPolarHBondContact O-CB 3.17Å; M443-I446 PolarHBondContact O-N 2.82Å; M443-I446 HydrophobicContact SD-CB 4.41Å; M443-I446 HydrophobicContact SD-CG1 4.15Å; M443-M447 PolarHBondContact O-N 3.28Å; M443-M447 VanDerWaalsContact O-N 3.11Å
444	R	93.7	Very high	97.7	Very high	35 Å²	35	34.4 Å²	34.4	13%	0.132	20%	0.202	C	C	.	.	H	α-helix	trans	-62.3	-33.2	175.5	-66.4	-61	-164.6	140.2	13.1	113.4	I432 E435 G442 M447 E497	I432-R444 VanDerWaalsContact CG1-CZ 3.43Å; I432-R444 VanDerWaalsContact CG1-NH2 3.29Å; E435-R444 IonicContact OE2-NE 3.6Å; G442-R444 PolarHBondContact O-N 2.83Å; G442-R444 VanDerWaalsContact O-N 3.13Å; R444-M447 WeakPolarHBondContact O-CB 3.31Å; R444-E497 IonicContact CZ-OE2 3.81Å; R444-E497 IonicContact NH1-OE2 3.59Å; R444-E497 PolarHBondContact NH1-OE2 3.05Å; R444-E497 IonicContact NH2-OE1 3.88Å; R444-E497 PolarHBondContact NH2-OE1 3.31Å; R444-E497 IonicContact NH2-OE2 2.89Å
445	D	95.7	Very high	97.7	Very high	65 Å²	65	34.4 Å²	34.4	35%	0.348	20%	0.202	S	C	.	.	H	α-helix	trans	-79.9	-32.7	174.4	-70.2	-10.8	0	0	0	111.5	G442 M443 M447 I448 I701	G442-D445 PolarHBondContact O-N 2.88Å; M443-D445 VanDerWaalsContact C-N 3.28Å; M443-D445 PolarHBondContact O-N 3.15Å; D445-M447 PolarHBondContact O-N 3.42Å; D445-I448 VanDerWaalsContact O-CB 3.29Å; D445-I448 WeakPolarHBondContact O-CB 3.47Å; D445-I448 PolarHBondContact O-N 2.67Å; D445-I448 VanDerWaalsContact O-N 3.08Å; D445-I701 HydrophobicContact CB-CD1 3.81Å; D445-I701 HydrophobicContact CB-CG2 4.27Å
446	I	97.9	Very high	97.7	Very high	5 Å²	5	31.4 Å²	31.4	3%	0.026	19%	0.188	C	C	.	.	H	α-helix	trans	-57.7	-37.1	173.5	-60.9	-54.1	0	0	0	111	Y431 G442 M443 I448 I449 S450 Y700 I701	Y431-I446 HydrophobicContact CE1-CB 4.34Å; Y431-I446 HydrophobicContact CE1-CG2 4.07Å; G442-I446 PolarHBondContact O-N 2.86Å; M443-I446 HydrophobicContact CE-CB 4.48Å; M443-I446 HydrophobicContact CE-CG2 4.29Å; M443-I446 WeakPolarHBondContact O-CB 3.17Å; M443-I446 PolarHBondContact O-N 2.82Å; M443-I446 HydrophobicContact SD-CB 4.41Å; M443-I446 HydrophobicContact SD-CG1 4.15Å; I446-I448 PolarHBondContact O-N 2.78Å; I446-I448 VanDerWaalsContact O-N 3.15Å; I446-I449 HydrophobicContact CD1-CD1 4.26Å; I446-I449 WeakPolarHBondContact O-CG1 3.47Å; I446-I449 PolarHBondContact O-N 2.74Å; I446-I449 VanDerWaalsContact O-N 3.08Å; I446-S450 WeakPolarHBondContact CG2-OG 3.29Å; I446-S450 VanDerWaalsContact O-CB 3.32Å; I446-S450 WeakPolarHBondContact O-CB 3.46Å; I446-S450 PolarHBondContact O-N 3.02Å; I446-S450 PolarHBondContact O-OG 3.37Å; I446-Y700 HydrophobicContact CD1-CD1 3.84Å; I446-Y700 HydrophobicContact CD1-CE1 3.5Å; I446-Y700 VanDerWaalsContact CD1-CE1 3.5Å; I446-I701 HydrophobicContact CD1-CG2 4.06Å
447	M	98.3	Very high	97.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-54.5	-34	176.7	-174.5	177.8	167.4	0	0	113	F428 Y431 M443 R444 D445 I449 D451 V452 A490 R494	F428-M447 HydrophobicContact CD2-CE 4.28Å; F428-M447 HydrophobicContact CD2-SD 4.48Å; Y431-M447 HydrophobicContact CD1-CB 3.89Å; Y431-M447 HydrophobicContact CD2-CB 3.92Å; Y431-M447 HydrophobicContact CD2-CG 3.81Å; Y431-M447 HydrophobicContact CD2-SD 3.9Å; Y431-M447 HydrophobicContact CE1-CB 3.77Å; Y431-M447 HydrophobicContact CE1-CG 4.43Å; Y431-M447 HydrophobicContact CE2-CB 3.8Å; Y431-M447 HydrophobicContact CE2-CG 3.55Å; Y431-M447 HydrophobicContact CE2-SD 4.17Å; Y431-M447 HydrophobicContact CG-CB 3.98Å; Y431-M447 HydrophobicContact CG-CG 4.36Å; M443-M447 PolarHBondContact O-N 3.28Å; M443-M447 VanDerWaalsContact O-N 3.11Å; R444-M447 WeakPolarHBondContact O-CB 3.31Å; D445-M447 PolarHBondContact O-N 3.42Å; M447-I449 PolarHBondContact O-N 3.49Å; M447-D451 PolarHBondContact O-N 3.19Å; M447-V452 HydrophobicContact CE-CG2 4.36Å; M447-V452 HydrophobicContact CG-CG2 4.36Å; M447-V452 PolarHBondContact O-N 2.93Å; M447-A490 VanDerWaalsContact CE-C 3.49Å; M447-A490 HydrophobicContact CE-CB 3.92Å; M447-A490 VanDerWaalsContact CE-O 3.25Å; M447-A490 WeakPolarHBondContact CE-O 2.94Å; M447-R494 HydrophobicContact CE-CB 3.52Å; M447-R494 HydrophobicContact CE-CG 4.23Å; M447-R494 HydrophobicContact SD-CB 4.12Å; M447-R494 WeakPolarHBondContact SD-CD 3.44Å; M447-R494 HydrophobicContact SD-CG 4.36Å
448	I	97.9	Very high	97.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.187	C	C	.	.	I	π-helix	trans	-61.1	-48.5	178.6	-58.7	171.4	0	0	0	110.1	D445 I446 L453 D633 A664 T667	D445-I448 VanDerWaalsContact O-CB 3.29Å; D445-I448 WeakPolarHBondContact O-CB 3.47Å; D445-I448 PolarHBondContact O-N 2.67Å; D445-I448 VanDerWaalsContact O-N 3.08Å; I446-I448 PolarHBondContact O-N 2.78Å; I446-I448 VanDerWaalsContact O-N 3.15Å; I448-L453 HydrophobicContact CG2-CD1 3.55Å; I448-L453 HydrophobicContact CG2-CD2 4.39Å; I448-L453 HydrophobicContact CG2-CG 3.75Å; I448-L453 WeakPolarHBondContact O-CB 3.23Å; I448-L453 VanDerWaalsContact O-CG 3.27Å; I448-L453 WeakPolarHBondContact O-CG 3.16Å; I448-L453 PolarHBondContact O-N 3.48Å; I448-D633 WeakPolarHBondContact CD1-O 3.33Å; I448-A664 HydrophobicContact CD1-CB 3.71Å; I448-T667 HydrophobicContact CG2-CG2 3.96Å
449	I	97.6	Very high	97.6	Very high	17 Å²	17	29.2 Å²	29.2	9%	0.087	18%	0.179	C	C	.	.	I	π-helix	trans	-85.4	-17.2	-175.5	60.1	163.9	0	0	0	113.8	I446 M447 P454 T667 Y700 I701 S704	I446-I449 HydrophobicContact CD1-CD1 4.26Å; I446-I449 WeakPolarHBondContact O-CG1 3.47Å; I446-I449 PolarHBondContact O-N 2.74Å; I446-I449 VanDerWaalsContact O-N 3.08Å; M447-I449 PolarHBondContact O-N 3.49Å; I449-P454 VanDerWaalsContact O-CG 3.23Å; I449-P454 WeakPolarHBondContact O-CG 3.36Å; I449-T667 HydrophobicContact CG2-CG2 3.93Å; I449-Y700 HydrophobicContact CD1-CE1 4.04Å; I449-I701 HydrophobicContact CD1-CB 4.41Å; I449-I701 HydrophobicContact CD1-CG2 4.02Å; I449-I701 HydrophobicContact CG1-CG2 4.45Å; I449-I701 HydrophobicContact CG2-CB 4.11Å; I449-S704 WeakPolarHBondContact CD1-OG 3.34Å
450	S	97.8	Very high	97.6	Very high	55 Å²	55	24.5 Å²	24.5	39%	0.385	15%	0.149	S	C	.	.	I	π-helix	trans	-98	-33.4	-176.7	-67.6	0	0	0	0	113.7	Y431 I446	Y431-S450 WeakPolarHBondContact OH-CB 3.31Å; I446-S450 WeakPolarHBondContact CG2-OG 3.29Å; I446-S450 VanDerWaalsContact O-CB 3.32Å; I446-S450 WeakPolarHBondContact O-CB 3.46Å; I446-S450 PolarHBondContact O-N 3.02Å; I446-S450 PolarHBondContact O-OG 3.37Å
451	D	98.6	Very high	97.6	Very high	12 Å²	12	19.3 Å²	19.3	6%	0.064	12%	0.117	C	C	.	.	I	π-helix	trans	-123	-56.1	-179.1	-74.1	-67.5	0	0	0	112.9	Y431 M447 P454 V455 S487	Y431-D451 WeakPolarHBondContact CE2-OD2 3.26Å; Y431-D451 VanDerWaalsContact CZ-OD2 3.23Å; Y431-D451 PolarHBondContact OH-OD2 2.84Å; M447-D451 PolarHBondContact O-N 3.19Å; D451-P454 WeakPolarHBondContact O-CD 3.17Å; D451-V455 WeakPolarHBondContact O-CB 3.31Å; D451-V455 WeakPolarHBondContact O-CG1 3.5Å; D451-V455 PolarHBondContact O-N 3.4Å; D451-S487 WeakPolarHBondContact OD1-CA 3.39Å; D451-S487 WeakPolarHBondContact OD1-CB 3.2Å; D451-S487 PolarHBondContact OD1-OG 2.92Å
452	V	98.8	Very high	97.6	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.012	13%	0.128	C	C	.	.	I	π-helix	trans	-61.4	-58.3	-167.5	-176.7	0	0	0	0	112	M447 V455 M456 S491 F637	M447-V452 HydrophobicContact CE-CG2 4.36Å; M447-V452 HydrophobicContact CG-CG2 4.36Å; M447-V452 PolarHBondContact O-N 2.93Å; V452-V455 WeakPolarHBondContact O-CG1 3.11Å; V452-M456 HydrophobicContact CG1-CE 4.09Å; V452-M456 VanDerWaalsContact O-CG 3.31Å; V452-M456 WeakPolarHBondContact O-CG 3.41Å; V452-M456 PolarHBondContact O-N 2.98Å; V452-S491 WeakPolarHBondContact CA-OG 3.35Å; V452-S491 WeakPolarHBondContact CG2-OG 3.43Å; V452-F637 HydrophobicContact CG1-CD2 4.32Å
453	L	98.6	Very high	97.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-74.2	-37.1	-175.6	-55.5	178.4	0	0	0	112.9	I448 M456 T667 D671 R705	I448-L453 HydrophobicContact CG2-CD1 3.55Å; I448-L453 HydrophobicContact CG2-CD2 4.39Å; I448-L453 HydrophobicContact CG2-CG 3.75Å; I448-L453 WeakPolarHBondContact O-CB 3.23Å; I448-L453 VanDerWaalsContact O-CG 3.27Å; I448-L453 WeakPolarHBondContact O-CG 3.16Å; I448-L453 PolarHBondContact O-N 3.48Å; L453-M456 HydrophobicContact CD2-SD 4.44Å; L453-T667 HydrophobicContact CD1-CG2 3.67Å; L453-D671 HydrophobicContact CD1-CB 3.84Å; L453-D671 HydrophobicContact CD2-CB 4.11Å; L453-D671 HydrophobicContact CG-CB 4.47Å; L453-R705 HydrophobicContact CD1-CG 4.21Å
454	P	98.4	Very high	97.6	Very high	48 Å²	48	20.8 Å²	20.8	31%	0.312	12%	0.118	S	C	.	.	H	α-helix	trans	-57.7	-50.8	171.7	-29.1	38	0	0	0	113.6	I449 D451 M456 V457	I449-P454 VanDerWaalsContact O-CG 3.23Å; I449-P454 WeakPolarHBondContact O-CG 3.36Å; D451-P454 WeakPolarHBondContact O-CD 3.17Å; P454-M456 PolarHBondContact O-N 3.03Å; P454-V457 WeakPolarHBondContact O-CB 3.42Å; P454-V457 PolarHBondContact O-N 3Å
455	V	98.7	Very high	97.8	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.006	11%	0.114	C	C	.	.	H	α-helix	trans	-68.8	-24.7	-176.5	74.1	0	0	0	0	113	D451 V452 V457 D458 D459 A483 I484 K488 F637	D451-V455 WeakPolarHBondContact O-CB 3.31Å; D451-V455 WeakPolarHBondContact O-CG1 3.5Å; D451-V455 PolarHBondContact O-N 3.4Å; V452-V455 WeakPolarHBondContact O-CG1 3.11Å; V455-V457 PolarHBondContact O-N 3.32Å; V455-D458 PolarHBondContact O-N 3.02Å; V455-D458 VanDerWaalsContact O-N 3.14Å; V455-D459 WeakPolarHBondContact O-CB 3.34Å; V455-D459 PolarHBondContact O-N 3.33Å; V455-A483 HydrophobicContact CB-CB 4.38Å; V455-A483 HydrophobicContact CG2-CB 3.83Å; V455-A483 VanDerWaalsContact CG2-O 3.24Å; V455-A483 WeakPolarHBondContact CG2-O 3.48Å; V455-I484 HydrophobicContact CG2-CD1 3.98Å; V455-K488 HydrophobicContact CG1-CB 4.25Å; V455-K488 HydrophobicContact CG2-CB 3.87Å; V455-F637 HydrophobicContact CG1-CE2 3.59Å; V455-F637 HydrophobicContact CG1-CZ 3.8Å
456	M	98.8	Very high	98	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.3	-20.7	171.2	-78.7	-170.8	-179.6	0	0	113.3	V452 L453 P454 A460 Y551 H634 F637 R639	V452-M456 HydrophobicContact CG1-CE 4.09Å; V452-M456 VanDerWaalsContact O-CG 3.31Å; V452-M456 WeakPolarHBondContact O-CG 3.41Å; V452-M456 PolarHBondContact O-N 2.98Å; L453-M456 HydrophobicContact CD2-SD 4.44Å; P454-M456 PolarHBondContact O-N 3.03Å; M456-A460 VanDerWaalsContact O-CB 3.3Å; M456-A460 WeakPolarHBondContact O-CB 3.41Å; M456-A460 PolarHBondContact O-N 3.47Å; M456-Y551 HydrophobicContact CB-CE1 3.86Å; M456-Y551 WeakPolarHBondContact CB-OH 3.33Å; M456-Y551 HydrophobicContact CG-CD1 4.38Å; M456-Y551 HydrophobicContact CG-CE1 3.92Å; M456-Y551 HydrophobicContact CG-CE2 4.4Å; M456-Y551 WeakPolarHBondContact O-CE1 3.47Å; M456-Y551 PolarHBondContact O-OH 3.27Å; M456-Y551 HydrophobicContact SD-CE2 4.37Å; M456-H634 WeakPolarHBondContact CE-NE2 3.49Å; M456-H634 PolarHBondContact SD-NE2 2.7Å; M456-F637 HydrophobicContact CE-CB 4.35Å; M456-F637 HydrophobicContact CE-CD1 4.49Å; M456-F637 HydrophobicContact CE-CD2 3.42Å; M456-F637 VanDerWaalsContact CE-CD2 3.42Å; M456-F637 HydrophobicContact CE-CE2 3.69Å; M456-F637 HydrophobicContact CE-CG 3.86Å; M456-F637 HydrophobicContact CE-CZ 4.33Å; M456-F637 HydrophobicContact CG-CD2 4.26Å; M456-F637 HydrophobicContact CG-CE2 3.54Å; M456-F637 HydrophobicContact CG-CZ 3.67Å; M456-R639 HydrophobicContact SD-CG 4.32Å
457	V	97.3	Very high	98	Very high	47 Å²	47	17.7 Å²	17.7	29%	0.285	11%	0.105	S	C	.	.	H	α-helix	trans	-73.3	-46.9	171.6	-180	0	0	0	0	110.3	P454 V455 A460 L572	P454-V457 WeakPolarHBondContact O-CB 3.42Å; P454-V457 PolarHBondContact O-N 3Å; V455-V457 PolarHBondContact O-N 3.32Å; V457-A460 PolarHBondContact O-N 3.15Å; V457-L572 HydrophobicContact CG1-CD1 4.28Å
458	D	96.6	Very high	98	Very high	65 Å²	65	19.2 Å²	19.2	35%	0.348	11%	0.113	S	C	.	.	H	α-helix	trans	-66.4	-42.7	-178.4	-62.6	-21.3	0	0	0	111.1	V455 A460 L461 A483	V455-D458 PolarHBondContact O-N 3.02Å; V455-D458 VanDerWaalsContact O-N 3.14Å; D458-A460 VanDerWaalsContact C-N 3.27Å; D458-A460 PolarHBondContact O-N 3.05Å; D458-L461 WeakPolarHBondContact O-CB 3.32Å; D458-L461 WeakPolarHBondContact O-CG 3.16Å; D458-L461 PolarHBondContact O-N 2.87Å; D458-A483 VanDerWaalsContact OD2-CB 3.29Å; D458-A483 WeakPolarHBondContact OD2-CB 3.16Å
459	D	98.5	Very high	97.9	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-5.8	-176	-162.2	42.1	0	0	0	113.9	V455 L461 S464 I484 K488 G550 Y551	V455-D459 WeakPolarHBondContact O-CB 3.34Å; V455-D459 PolarHBondContact O-N 3.33Å; D459-L461 VanDerWaalsContact C-N 3.29Å; D459-S464 PolarHBondContact OD1-OG 3.26Å; D459-I484 HydrophobicContact CB-CD1 3.9Å; D459-K488 VanDerWaalsContact CG-NZ 3.34Å; D459-K488 IonicContact OD1-NZ 2.74Å; D459-K488 PolarHBondContact OD1-NZ 2.91Å; D459-K488 WeakPolarHBondContact OD2-CD 3.41Å; D459-K488 WeakPolarHBondContact OD2-CE 3.21Å; D459-K488 IonicContact OD2-NZ 2.92Å; D459-K488 PolarHBondContact OD2-NZ 2.68Å; D459-G550 VanDerWaalsContact CG-CA 3.47Å; D459-G550 VanDerWaalsContact CG-N 3.34Å; D459-G550 VanDerWaalsContact O-CA 3.3Å; D459-G550 WeakPolarHBondContact O-CA 3.42Å; D459-G550 WeakPolarHBondContact OD1-CA 3.45Å; D459-G550 PolarHBondContact OD1-N 3.21Å; D459-G550 WeakPolarHBondContact OD2-CA 3.37Å; D459-G550 PolarHBondContact OD2-N 2.99Å; D459-Y551 HydrophobicContact CB-CD1 4.1Å; D459-Y551 HydrophobicContact CB-CE1 4.17Å
460	A	98.3	Very high	97.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-1.2	170.5	0	0	0	0	0	113.4	M456 V457 D458 Y551 F570 L571 L572	M456-A460 VanDerWaalsContact O-CB 3.3Å; M456-A460 WeakPolarHBondContact O-CB 3.41Å; M456-A460 PolarHBondContact O-N 3.47Å; V457-A460 PolarHBondContact O-N 3.15Å; D458-A460 VanDerWaalsContact C-N 3.27Å; D458-A460 PolarHBondContact O-N 3.05Å; A460-Y551 HydrophobicContact CB-CE1 4.14Å; A460-F570 HydrophobicContact CB-CD1 3.65Å; A460-F570 HydrophobicContact CB-CE1 3.68Å; A460-L571 WeakPolarHBondContact O-CA 3.33Å; A460-L571 WeakPolarHBondContact O-CD2 3.29Å; A460-L572 HydrophobicContact CB-CD1 4.09Å; A460-L572 HydrophobicContact CB-CG 3.73Å; A460-L572 PolarHBondContact O-N 2.78Å
461	L	97.8	Very high	97.7	Very high	8 Å²	8	24.1 Å²	24.1	4%	0.042	14%	0.136	C	C	.	.	S	Bend	trans	-86.5	148.8	174.9	-59.2	-179.1	0	0	0	111	D458 D459 S463 S464 L572 Q940 E943	D458-L461 WeakPolarHBondContact O-CB 3.32Å; D458-L461 WeakPolarHBondContact O-CG 3.16Å; D458-L461 PolarHBondContact O-N 2.87Å; D459-L461 VanDerWaalsContact C-N 3.29Å; L461-S463 PolarHBondContact O-N 2.64Å; L461-S464 WeakPolarHBondContact O-CB 3.48Å; L461-S464 PolarHBondContact O-N 3.25Å; L461-L572 HydrophobicContact CD2-CD1 4.01Å; L461-Q940 HydrophobicContact CD1-CB 4.42Å; L461-Q940 HydrophobicContact CD1-CG 4.42Å; L461-E943 WeakPolarHBondContact CA-OE1 3.47Å; L461-E943 HydrophobicContact CD2-CG 4.31Å
462	I	96.4	Very high	97.6	Very high	56 Å²	56	27 Å²	27	29%	0.287	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-23.6	172.3	-153.8	174.9	0	0	0	111.7	S464 A576 K580 E943	I462-S464 VanDerWaalsContact C-N 3.29Å; I462-A576 HydrophobicContact CD1-CB 4.34Å; I462-K580 HydrophobicContact CD1-CB 4.16Å; I462-E943 WeakPolarHBondContact CG2-OE2 3.18Å; I462-E943 PolarHBondContact N-OE1 3.01Å; I462-E943 PolarHBondContact N-OE2 3.09Å
463	S	96.4	Very high	97.5	Very high	12 Å²	12	28.6 Å²	28.6	8%	0.084	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	13.6	172.4	57.9	0	0	0	0	114.7	L461 Q940 E943	L461-S463 PolarHBondContact O-N 2.64Å; S463-Q940 VanDerWaalsContact OG-CA 3.32Å; S463-Q940 WeakPolarHBondContact OG-CA 3.48Å; S463-Q940 VanDerWaalsContact OG-CG 3.29Å; S463-Q940 WeakPolarHBondContact OG-CG 3.46Å; S463-E943 WeakPolarHBondContact CB-OE2 3.21Å; S463-E943 PolarHBondContact N-OE2 2.93Å; S463-E943 PolarHBondContact OG-OE2 3.08Å
464	S	97.7	Very high	97.3	Very high	9 Å²	9	29.5 Å²	29.5	6%	0.063	18%	0.175	C	C	.	.			trans	-68.4	179.4	164.4	-170.6	0	0	0	0	111.3	D459 L461 I462 M549	D459-S464 PolarHBondContact OD1-OG 3.26Å; L461-S464 WeakPolarHBondContact O-CB 3.48Å; L461-S464 PolarHBondContact O-N 3.25Å; I462-S464 VanDerWaalsContact C-N 3.29Å; S464-M549 WeakPolarHBondContact O-CE 3.28Å
465	H	98.3	Very high	97.2	Very high	8 Å²	8	27.8 Å²	27.8	4%	0.037	17%	0.165	C	C	.	.			trans	-138	157	172.5	70.2	87.3	0	0	0	112	V469 D482 M549 M936	H465-V469 HydrophobicContact CB-CG2 4.28Å; H465-D482 IonicContact CD2-OD2 2.86Å; H465-D482 IonicContact CE1-OD1 2.91Å; H465-D482 IonicContact NE2-OD1 3.4Å; H465-D482 PolarHBondContact NE2-OD1 3.06Å; H465-D482 IonicContact NE2-OD2 3.85Å; H465-D482 PolarHBondContact NE2-OD2 3.31Å; H465-M549 VanDerWaalsContact C-CB 3.43Å; H465-M549 WeakPolarHBondContact O-CB 3.47Å; H465-M936 HydrophobicContact CB-CE 4.24Å; H465-M936 VanDerWaalsContact CD2-CE 3.48Å; H465-M936 WeakPolarHBondContact CD2-CE 3.44Å
466	P	98.6	Very high	97.1	Very high	30 Å²	30	31.1 Å²	31.1	20%	0.195	18%	0.18	C	C	.	.			trans	-61	154	169.5	25.9	-35.5	0	0	0	111.3	I468	P466-I468 VanDerWaalsContact C-N 3.27Å; P466-I468 WeakPolarHBondContact CB-O 3.36Å; P466-I468 WeakPolarHBondContact CG-O 3.44Å; P466-I468 PolarHBondContact O-N 2.93Å
467	I	98.8	Very high	97.1	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	18%	0.18	C	C	.	.	S	Bend	trans	-57.1	-44.3	175	-67.9	174.4	0	0	0	110.7	W420 I484 K488 V492 T546	W420-I467 HydrophobicContact CB-CG2 3.52Å; W420-I467 VanDerWaalsContact CD1-CG2 3.47Å; W420-I467 HydrophobicContact CD2-CG2 3.54Å; W420-I467 HydrophobicContact CE3-CG2 4.2Å; W420-I467 HydrophobicContact CG-CG2 3.17Å; I467-I484 HydrophobicContact CG1-CG2 3.97Å; I467-K488 HydrophobicContact CD1-CB 4.43Å; I467-K488 HydrophobicContact CD1-CD 4Å; I467-K488 HydrophobicContact CD1-CG 3.94Å; I467-K488 HydrophobicContact CG1-CB 4.47Å; I467-K488 HydrophobicContact CG1-CD 3.83Å; I467-K488 HydrophobicContact CG1-CG 4.2Å; I467-V492 HydrophobicContact CD1-CG2 4.03Å; I467-T546 HydrophobicContact CB-CG2 4.46Å; I467-T546 HydrophobicContact CD1-CG2 4.14Å; I467-T546 HydrophobicContact CG2-CG2 4.46Å; I467-T546 PolarHBondContact N-O 3.37Å; I467-T546 VanDerWaalsContact N-O 3.17Å
468	I	98.6	Very high	97	Very high	32 Å²	32	29.5 Å²	29.5	16%	0.164	17%	0.17	C	C	.	.	S	Bend	trans	-87.5	111.7	171.3	-56.2	170.7	0	0	0	107.6	D417 P466 T523 T546 K547	D417-I468 WeakPolarHBondContact O-CA 3.34Å; P466-I468 VanDerWaalsContact C-N 3.27Å; P466-I468 WeakPolarHBondContact CB-O 3.36Å; P466-I468 WeakPolarHBondContact CG-O 3.44Å; P466-I468 PolarHBondContact O-N 2.93Å; I468-T523 HydrophobicContact CD1-CG2 3.77Å; I468-T546 PolarHBondContact N-O 2.82Å; I468-K547 HydrophobicContact CD1-CG 3.95Å
469	V	95.7	Very high	96.9	Very high	18 Å²	18	27 Å²	27	11%	0.109	16%	0.158	C	C	.	.			trans	-129.4	125.7	-170.3	55.1	0	0	0	0	111.3	D417 H465 V471 V480	D417-V469 WeakPolarHBondContact CA-O 3.48Å; D417-V469 WeakPolarHBondContact CB-O 3.48Å; D417-V469 PolarHBondContact O-N 3.07Å; H465-V469 HydrophobicContact CB-CG2 4.28Å; V469-V471 PolarHBondContact O-N 3.16Å; V469-V480 HydrophobicContact CB-CG1 4.49Å; V469-V480 HydrophobicContact CG1-CB 3.92Å; V469-V480 HydrophobicContact CG1-CG1 3.53Å; V469-V480 HydrophobicContact CG1-CG2 4.35Å; V469-V480 HydrophobicContact CG2-CG1 4.17Å
470	D	94.9	Very high	96.9	Very high	147 Å²	147	27.2 Å²	27.2	79%	0.786	16%	0.159	S	C	*	.			trans	-67	128.2	176	-67.4	-33.9	0	0	0	110
471	V	96.5	Very high	96.8	Very high	10 Å²	10	27.3 Å²	27.3	6%	0.061	16%	0.16	C	C	.	.			trans	-131.5	136.4	176.8	-65.2	0	0	0	0	110.5	W415 W416 V469 E476 I477 V480	W415-V471 HydrophobicContact CZ2-CG2 4.28Å; W415-V471 PolarHBondContact NE1-O 3.05Å; W416-V471 HydrophobicContact CB-CG2 3.77Å; V469-V471 PolarHBondContact O-N 3.16Å; V471-E476 HydrophobicContact CB-CB 4.03Å; V471-E476 HydrophobicContact CG1-CB 4.09Å; V471-I477 HydrophobicContact CB-CG1 3.93Å; V471-I477 HydrophobicContact CG2-CG1 3.6Å; V471-V480 HydrophobicContact CG1-CG1 3.77Å; V471-V480 HydrophobicContact CG1-CG2 4.05Å
472	S	95.6	Very high	96.8	Very high	74 Å²	74	27.8 Å²	27.8	52%	0.517	16%	0.162	S	C	.	.			trans	-137.9	6.8	-165.6	68.6	0	0	0	0	114.4	F93 E476	F93-S472 VanDerWaalsContact CD1-O 3.24Å; F93-S472 WeakPolarHBondContact CD1-O 3.33Å; F93-S472 VanDerWaalsContact CE1-C 3.41Å; F93-S472 WeakPolarHBondContact CE1-O 3.33Å; F93-S472 WeakPolarHBondContact CG-O 3.16Å; S472-E476 WeakPolarHBondContact CA-OE2 3.4Å; S472-E476 WeakPolarHBondContact CB-OE2 3.46Å; S472-E476 PolarHBondContact N-OE2 3.04Å; S472-E476 PolarHBondContact OG-OE2 2.73Å
473	S	96.4	Very high	96.9	Very high	34 Å²	34	26.4 Å²	26.4	24%	0.238	16%	0.159	C	C	.	.	S	Bend	trans	-147.5	161.2	171.6	70.4	0	0	0	0	111	A475 E476 I477	S473-A475 PolarHBondContact O-N 3.06Å; S473-E476 PolarHBondContact N-OE2 2.92Å; S473-E476 PolarHBondContact O-N 2.89Å; S473-E476 WeakPolarHBondContact OG-CG 3.49Å; S473-E476 PolarHBondContact OG-N 3.32Å; S473-E476 VanDerWaalsContact OG-N 3.16Å; S473-I477 VanDerWaalsContact O-CG1 3.26Å; S473-I477 WeakPolarHBondContact O-CG1 3.29Å; S473-I477 PolarHBondContact O-N 2.85Å
474	P	96.1	Very high	97	Very high	20 Å²	20	25.9 Å²	25.9	13%	0.13	16%	0.155	C	C	.	.	H	α-helix	trans	-56.8	-37.1	174.7	-26.8	37.2	0	0	0	113.4	F93 I477 T478	F93-P474 HydrophobicContact CE2-CG 4.27Å; P474-I477 PolarHBondContact O-N 3.24Å; P474-T478 WeakPolarHBondContact O-CG2 3.49Å; P474-T478 PolarHBondContact O-N 2.7Å
475	A	95.1	Very high	97	Very high	12 Å²	12	25.5 Å²	25.5	10%	0.099	15%	0.153	C	C	.	.	H	α-helix	trans	-63.6	-46.6	175.9	0	0	0	0	0	112.2	S473 T478 S479	S473-A475 PolarHBondContact O-N 3.06Å; A475-T478 WeakPolarHBondContact O-CG2 3.13Å; A475-T478 PolarHBondContact O-N 2.69Å; A475-S479 WeakPolarHBondContact O-CB 3.45Å; A475-S479 PolarHBondContact O-N 3.02Å; A475-S479 PolarHBondContact O-OG 3.28Å
476	E	97	Very high	97.1	Very high	70 Å²	70	27.6 Å²	27.6	33%	0.327	16%	0.161	S	C	.	.	H	α-helix	trans	-63.9	-42.5	176.1	-73.2	172.9	-175.7	0	0	111.5	V471 S472 S473 T478 S479 V480	V471-E476 HydrophobicContact CB-CB 4.03Å; V471-E476 HydrophobicContact CG1-CB 4.09Å; S472-E476 WeakPolarHBondContact CA-OE2 3.4Å; S472-E476 WeakPolarHBondContact CB-OE2 3.46Å; S472-E476 PolarHBondContact N-OE2 3.04Å; S472-E476 PolarHBondContact OG-OE2 2.73Å; S473-E476 PolarHBondContact N-OE2 2.92Å; S473-E476 PolarHBondContact O-N 2.89Å; S473-E476 WeakPolarHBondContact OG-CG 3.49Å; S473-E476 PolarHBondContact OG-N 3.32Å; S473-E476 VanDerWaalsContact OG-N 3.16Å; E476-T478 PolarHBondContact O-N 2.85Å; E476-S479 PolarHBondContact O-N 2.79Å; E476-V480 PolarHBondContact O-N 3.35Å
477	I	97.9	Very high	97.1	Very high	1 Å²	1	27 Å²	27	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-59.1	-48.7	177.9	-67.5	162.9	0	0	0	110.9	F93 P230 T231 W415 W416 V471 S473 P474 S479 V480 F481	F93-I477 HydrophobicContact CE1-CD1 4.21Å; F93-I477 HydrophobicContact CZ-CD1 3.73Å; P230-I477 HydrophobicContact CB-CG2 3.48Å; P230-I477 VanDerWaalsContact CB-CG2 3.48Å; P230-I477 HydrophobicContact CG-CB 4.49Å; P230-I477 HydrophobicContact CG-CG2 3.63Å; T231-I477 HydrophobicContact CG2-CD1 4.12Å; W415-I477 HydrophobicContact CH2-CD1 3.67Å; W415-I477 HydrophobicContact CZ2-CD1 3.75Å; W415-I477 HydrophobicContact CZ2-CG1 4.22Å; W416-I477 HydrophobicContact CB-CG1 4.17Å; W416-I477 HydrophobicContact CB-CG2 3.81Å; W416-I477 HydrophobicContact CD2-CG2 3.63Å; W416-I477 HydrophobicContact CE3-CG2 4.19Å; W416-I477 HydrophobicContact CG-CB 4.42Å; W416-I477 HydrophobicContact CG-CD1 4.38Å; W416-I477 HydrophobicContact CG-CG1 4.15Å; W416-I477 HydrophobicContact CG-CG2 3.4Å; V471-I477 HydrophobicContact CB-CG1 3.93Å; V471-I477 HydrophobicContact CG2-CG1 3.6Å; S473-I477 VanDerWaalsContact O-CG1 3.26Å; S473-I477 WeakPolarHBondContact O-CG1 3.29Å; S473-I477 PolarHBondContact O-N 2.85Å; P474-I477 PolarHBondContact O-N 3.24Å; I477-S479 VanDerWaalsContact C-N 3.31Å; I477-S479 PolarHBondContact O-N 3.35Å; I477-V480 WeakPolarHBondContact O-CG2 3.16Å; I477-F481 HydrophobicContact CG2-CE2 4.39Å; I477-F481 VanDerWaalsContact O-CD2 3.28Å; I477-F481 WeakPolarHBondContact O-CD2 3.23Å; I477-F481 WeakPolarHBondContact O-CE2 3.45Å
478	T	96.2	Very high	97.1	Very high	12 Å²	12	26.9 Å²	26.9	7%	0.074	16%	0.156	C	C	.	.	H	α-helix	trans	-73.5	-23.1	-178.6	-165.5	0	0	0	0	113.1	P474 A475 E476 V480 N897 R899 A933	P474-T478 WeakPolarHBondContact O-CG2 3.49Å; P474-T478 PolarHBondContact O-N 2.7Å; A475-T478 WeakPolarHBondContact O-CG2 3.13Å; A475-T478 PolarHBondContact O-N 2.69Å; E476-T478 PolarHBondContact O-N 2.85Å; T478-V480 VanDerWaalsContact C-N 3.35Å; T478-N897 WeakPolarHBondContact CG2-O 3.14Å; T478-R899 PolarHBondContact O-NE 3.26Å; T478-R899 PolarHBondContact OG1-NE 2.88Å; T478-R899 PolarHBondContact OG1-NH2 3Å; T478-A933 HydrophobicContact CG2-CB 3.68Å
479	S	95.3	Very high	97.1	Very high	13 Å²	13	25.4 Å²	25.4	9%	0.091	15%	0.148	C	C	.	.	H	α-helix	trans	-65	-36.2	176	-73.2	0	0	0	0	112.9	A475 E476 I477 F481 A933	A475-S479 WeakPolarHBondContact O-CB 3.45Å; A475-S479 PolarHBondContact O-N 3.02Å; A475-S479 PolarHBondContact O-OG 3.28Å; E476-S479 PolarHBondContact O-N 2.79Å; I477-S479 VanDerWaalsContact C-N 3.31Å; I477-S479 PolarHBondContact O-N 3.35Å; S479-F481 PolarHBondContact O-N 3.15Å; S479-A933 VanDerWaalsContact OG-CA 3.24Å; S479-A933 WeakPolarHBondContact OG-CA 3.45Å; S479-A933 PolarHBondContact OG-O 2.84Å
480	V	96.9	Very high	97.2	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.024	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	1.4	-174.6	-59.7	0	0	0	0	114.3	L419 V469 V471 E476 I477 T478 D482 S485	L419-V480 HydrophobicContact CD2-CG2 4.22Å; V469-V480 HydrophobicContact CB-CG1 4.49Å; V469-V480 HydrophobicContact CG1-CB 3.92Å; V469-V480 HydrophobicContact CG1-CG1 3.53Å; V469-V480 HydrophobicContact CG1-CG2 4.35Å; V469-V480 HydrophobicContact CG2-CG1 4.17Å; V471-V480 HydrophobicContact CG1-CG1 3.77Å; V471-V480 HydrophobicContact CG1-CG2 4.05Å; E476-V480 PolarHBondContact O-N 3.35Å; I477-V480 WeakPolarHBondContact O-CG2 3.16Å; T478-V480 VanDerWaalsContact C-N 3.35Å; V480-D482 PolarHBondContact O-N 3Å; V480-S485 VanDerWaalsContact O-CB 3.3Å; V480-S485 WeakPolarHBondContact O-CB 3.3Å; V480-S485 PolarHBondContact O-OG 2.8Å
481	F	97.3	Very high	97.4	Very high	3 Å²	3	17.6 Å²	17.6	1%	0.013	11%	0.107	C	C	.	.	S	Bend	trans	-78.1	60.2	165.5	-73.5	-102.6	0	0	0	111	E229 P230 W416 L419 I477 S479 Y486 R899 R903	E229-F481 VanDerWaalsContact CD-CE1 3.48Å; E229-F481 HydrophobicContact CG-CE1 4.03Å; E229-F481 HydrophobicContact CG-CZ 3.72Å; E229-F481 WeakPolarHBondContact OE2-CE1 3.37Å; P230-F481 HydrophobicContact CB-CE2 3.79Å; P230-F481 HydrophobicContact CB-CZ 3.95Å; P230-F481 HydrophobicContact CG-CE2 3.9Å; P230-F481 HydrophobicContact CG-CZ 4.42Å; W416-F481 HydrophobicContact CE3-CE2 4.21Å; W416-F481 AromaticContact CE3-CZ 3.95Å; W416-F481 HydrophobicContact CE3-CZ 3.95Å; W416-F481 HydrophobicContact CH2-CZ 4.49Å; W416-F481 HydrophobicContact CZ3-CE2 4.27Å; W416-F481 AromaticContact CZ3-CZ 3.6Å; W416-F481 HydrophobicContact CZ3-CZ 3.6Å; L419-F481 HydrophobicContact CD1-CD1 4.41Å; L419-F481 HydrophobicContact CD1-CE1 3.79Å; L419-F481 HydrophobicContact CD1-CZ 3.85Å; L419-F481 HydrophobicContact CD2-CB 4.42Å; L419-F481 HydrophobicContact CD2-CD1 3.76Å; L419-F481 HydrophobicContact CD2-CD2 3.65Å; L419-F481 HydrophobicContact CD2-CE1 3.83Å; L419-F481 HydrophobicContact CD2-CE2 3.72Å; L419-F481 HydrophobicContact CD2-CG 3.66Å; L419-F481 HydrophobicContact CD2-CZ 3.82Å; L419-F481 HydrophobicContact CG-CE1 4.45Å; I477-F481 HydrophobicContact CG2-CE2 4.39Å; I477-F481 VanDerWaalsContact O-CD2 3.28Å; I477-F481 WeakPolarHBondContact O-CD2 3.23Å; I477-F481 WeakPolarHBondContact O-CE2 3.45Å; S479-F481 PolarHBondContact O-N 3.15Å; F481-Y486 HydrophobicContact CB-CE2 4.11Å; F481-Y486 HydrophobicContact CD1-CE2 4.3Å; F481-R899 VanDerWaalsContact CB-NH2 3.34Å; F481-R899 VanDerWaalsContact CD2-NH2 3.25Å; F481-R899 VanDerWaalsContact CG-CZ 3.41Å; F481-R903 PolarHBondContact O-NH1 3.48Å; F481-R903 PolarHBondContact O-NH2 3.05Å
482	D	97.2	Very high	97.5	Very high	18 Å²	18	17.1 Å²	17.1	10%	0.096	10%	0.104	C	C	.	.	S	Bend	trans	-125.9	-173.5	-170.9	75.4	-1.2	0	0	0	112.8	H465 V480 I484 S485 Y486 R903	H465-D482 IonicContact CD2-OD2 2.86Å; H465-D482 IonicContact CE1-OD1 2.91Å; H465-D482 IonicContact NE2-OD1 3.4Å; H465-D482 PolarHBondContact NE2-OD1 3.06Å; H465-D482 IonicContact NE2-OD2 3.85Å; H465-D482 PolarHBondContact NE2-OD2 3.31Å; V480-D482 PolarHBondContact O-N 3Å; D482-I484 PolarHBondContact O-N 3.44Å; D482-I484 VanDerWaalsContact O-N 3.1Å; D482-I484 WeakPolarHBondContact OD1-CB 3.24Å; D482-I484 PolarHBondContact OD1-N 3.2Å; D482-S485 PolarHBondContact O-N 3.15Å; D482-S485 PolarHBondContact OD1-N 3.2Å; D482-Y486 WeakPolarHBondContact O-CD2 3.49Å; D482-Y486 PolarHBondContact O-N 2.85Å; D482-R903 VanDerWaalsContact CA-NH2 3.33Å; D482-R903 VanDerWaalsContact CB-NH2 3.26Å
483	A	97.8	Very high	97.7	Very high	26 Å²	26	13.6 Å²	13.6	22%	0.215	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.6	-177.4	0	0	0	0	0	113.1	V455 D458 S487 K488	V455-A483 HydrophobicContact CB-CB 4.38Å; V455-A483 HydrophobicContact CG2-CB 3.83Å; V455-A483 VanDerWaalsContact CG2-O 3.24Å; V455-A483 WeakPolarHBondContact CG2-O 3.48Å; D458-A483 VanDerWaalsContact OD2-CB 3.29Å; D458-A483 WeakPolarHBondContact OD2-CB 3.16Å; A483-S487 CarbonylContact O-C 3.48Å; A483-S487 WeakPolarHBondContact O-CA 3.16Å; A483-S487 VanDerWaalsContact O-CB 3.25Å; A483-S487 WeakPolarHBondContact O-CB 3.41Å; A483-S487 PolarHBondContact O-N 3.11Å; A483-K488 PolarHBondContact O-N 2.96Å
484	I	98.8	Very high	97.8	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.01	7%	0.071	C	C	.	.	I	π-helix	trans	-71.1	-49.7	179.3	-55	-56.1	0	0	0	110.3	V455 D459 I467 D482 Y486 K488 G489	V455-I484 HydrophobicContact CG2-CD1 3.98Å; D459-I484 HydrophobicContact CB-CD1 3.9Å; I467-I484 HydrophobicContact CG1-CG2 3.97Å; D482-I484 PolarHBondContact O-N 3.44Å; D482-I484 VanDerWaalsContact O-N 3.1Å; D482-I484 WeakPolarHBondContact OD1-CB 3.24Å; D482-I484 PolarHBondContact OD1-N 3.2Å; I484-Y486 PolarHBondContact O-N 3.12Å; I484-K488 HydrophobicContact CD1-CD 4.42Å; I484-K488 HydrophobicContact CG2-CB 4.4Å; I484-K488 HydrophobicContact CG2-CD 4.14Å; I484-K488 VanDerWaalsContact O-CB 3.28Å; I484-K488 WeakPolarHBondContact O-CB 3.32Å; I484-K488 PolarHBondContact O-N 2.85Å; I484-G489 PolarHBondContact O-N 2.93Å; I484-G489 VanDerWaalsContact O-N 3.07Å
485	S	98.7	Very high	97.9	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.007	7%	0.066	C	C	.	.	I	π-helix	trans	-64.6	-40.9	179.4	-65.7	0	0	0	0	112.5	G424 V480 D482	G424-S485 VanDerWaalsContact CA-O 3.31Å; G424-S485 WeakPolarHBondContact CA-O 3.47Å; G424-S485 PolarHBondContact N-O 3.06Å; V480-S485 VanDerWaalsContact O-CB 3.3Å; V480-S485 WeakPolarHBondContact O-CB 3.3Å; V480-S485 PolarHBondContact O-OG 2.8Å; D482-S485 PolarHBondContact O-N 3.15Å; D482-S485 PolarHBondContact OD1-N 3.2Å
486	Y	98.8	Very high	98.1	Very high	52 Å²	52	11.5 Å²	11.5	20%	0.204	6%	0.061	C	C	.	.	I	π-helix	trans	-83.3	-73.6	-178.1	-70.4	-105.2	0	0	0	111.3	H400 E423 F481 D482 I484 A490	H400-Y486 AromaticContact CE1-CD1 3.94Å; H400-Y486 AromaticContact CE1-CE1 4Å; H400-Y486 AromaticContact NE2-CE1 3.85Å; E423-Y486 HydrophobicContact CB-CD1 3.97Å; E423-Y486 HydrophobicContact CB-CD2 4Å; E423-Y486 HydrophobicContact CB-CE1 3.99Å; E423-Y486 HydrophobicContact CB-CE2 4.06Å; E423-Y486 HydrophobicContact CB-CG 4Å; E423-Y486 HydrophobicContact CG-CD2 4.36Å; E423-Y486 HydrophobicContact CG-CE1 4.07Å; E423-Y486 HydrophobicContact CG-CE2 3.91Å; E423-Y486 VanDerWaalsContact OE1-CZ 3.26Å; E423-Y486 PolarHBondContact OE1-OH 2.86Å; E423-Y486 WeakPolarHBondContact OE2-CE1 3.39Å; E423-Y486 VanDerWaalsContact OE2-CZ 3.25Å; E423-Y486 PolarHBondContact OE2-OH 2.78Å; F481-Y486 HydrophobicContact CB-CE2 4.11Å; F481-Y486 HydrophobicContact CD1-CE2 4.3Å; D482-Y486 WeakPolarHBondContact O-CD2 3.49Å; D482-Y486 PolarHBondContact O-N 2.85Å; I484-Y486 PolarHBondContact O-N 3.12Å; Y486-A490 WeakPolarHBondContact O-CB 3.34Å; Y486-A490 PolarHBondContact O-N 3.37Å
487	S	98.9	Very high	98.2	Very high	16 Å²	16	8.6 Å²	8.6	11%	0.112	5%	0.047	C	C	.	.	I	π-helix	trans	-73.7	-42	-168.7	-55.4	0	0	0	0	113.2	D451 A483 S491	D451-S487 WeakPolarHBondContact OD1-CA 3.39Å; D451-S487 WeakPolarHBondContact OD1-CB 3.2Å; D451-S487 PolarHBondContact OD1-OG 2.92Å; A483-S487 CarbonylContact O-C 3.48Å; A483-S487 WeakPolarHBondContact O-CA 3.16Å; A483-S487 VanDerWaalsContact O-CB 3.25Å; A483-S487 WeakPolarHBondContact O-CB 3.41Å; A483-S487 PolarHBondContact O-N 3.11Å; S487-S491 VanDerWaalsContact O-CB 3.3Å; S487-S491 WeakPolarHBondContact O-CB 3.22Å; S487-S491 PolarHBondContact O-N 3.1Å; S487-S491 PolarHBondContact O-OG 3.5Å
488	K	98.9	Very high	98.2	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.06	C	C	.	.	I	π-helix	trans	-70.3	-41.2	176	-166.8	-174.1	173.9	169.7	0	110.6	V455 D459 I467 A483 I484 A490 S491 V492 G550 F637	V455-K488 HydrophobicContact CG1-CB 4.25Å; V455-K488 HydrophobicContact CG2-CB 3.87Å; D459-K488 VanDerWaalsContact CG-NZ 3.34Å; D459-K488 IonicContact OD1-NZ 2.74Å; D459-K488 PolarHBondContact OD1-NZ 2.91Å; D459-K488 WeakPolarHBondContact OD2-CD 3.41Å; D459-K488 WeakPolarHBondContact OD2-CE 3.21Å; D459-K488 IonicContact OD2-NZ 2.92Å; D459-K488 PolarHBondContact OD2-NZ 2.68Å; I467-K488 HydrophobicContact CD1-CB 4.43Å; I467-K488 HydrophobicContact CD1-CD 4Å; I467-K488 HydrophobicContact CD1-CG 3.94Å; I467-K488 HydrophobicContact CG1-CB 4.47Å; I467-K488 HydrophobicContact CG1-CD 3.83Å; I467-K488 HydrophobicContact CG1-CG 4.2Å; A483-K488 PolarHBondContact O-N 2.96Å; I484-K488 HydrophobicContact CD1-CD 4.42Å; I484-K488 HydrophobicContact CG2-CB 4.4Å; I484-K488 HydrophobicContact CG2-CD 4.14Å; I484-K488 VanDerWaalsContact O-CB 3.28Å; I484-K488 WeakPolarHBondContact O-CB 3.32Å; I484-K488 PolarHBondContact O-N 2.85Å; K488-A490 PolarHBondContact O-N 3.27Å; K488-S491 PolarHBondContact O-N 3.4Å; K488-V492 HydrophobicContact CG-CG2 4.45Å; K488-V492 WeakPolarHBondContact O-CG2 3.31Å; K488-V492 PolarHBondContact O-N 3.28Å; K488-G550 PolarHBondContact NZ-O 3.11Å; K488-F637 HydrophobicContact CB-CZ 4.49Å; K488-F637 HydrophobicContact CD-CE1 4.03Å; K488-F637 HydrophobicContact CD-CZ 4.33Å; K488-F637 HydrophobicContact CG-CD1 4.38Å; K488-F637 HydrophobicContact CG-CE1 3.75Å; K488-F637 HydrophobicContact CG-CE2 4.38Å; K488-F637 HydrophobicContact CG-CZ 3.75Å
489	G	98.8	Very high	98.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-51.3	-54.1	170.7	0	0	0	0	0	111.9	I484 S491 V492 L493	I484-G489 PolarHBondContact O-N 2.93Å; I484-G489 VanDerWaalsContact O-N 3.07Å; G489-S491 PolarHBondContact O-N 3.2Å; G489-V492 PolarHBondContact O-N 2.83Å; G489-L493 WeakPolarHBondContact O-CG 3.38Å; G489-L493 PolarHBondContact O-N 3.35Å
490	A	98.9	Very high	98.3	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-61.7	-41.3	177.5	0	0	0	0	0	112.9	G424 F428 M447 Y486 K488 V492 L493 R494	G424-A490 WeakPolarHBondContact O-CA 3.34Å; F428-A490 HydrophobicContact CB-CB 4.02Å; M447-A490 VanDerWaalsContact CE-C 3.49Å; M447-A490 HydrophobicContact CE-CB 3.92Å; M447-A490 VanDerWaalsContact CE-O 3.25Å; M447-A490 WeakPolarHBondContact CE-O 2.94Å; Y486-A490 WeakPolarHBondContact O-CB 3.34Å; Y486-A490 PolarHBondContact O-N 3.37Å; K488-A490 PolarHBondContact O-N 3.27Å; A490-V492 PolarHBondContact O-N 3.09Å; A490-L493 PolarHBondContact O-N 2.69Å; A490-R494 PolarHBondContact O-N 2.87Å
491	S	98.9	Very high	98.3	Very high	2 Å²	2	13.2 Å²	13.2	1%	0.014	8%	0.075	C	C	.	.	H	α-helix	trans	-63.7	-40.7	179.4	-59.2	0	0	0	0	112.7	V452 S487 K488 G489 R494 M495 F637	V452-S491 WeakPolarHBondContact CA-OG 3.35Å; V452-S491 WeakPolarHBondContact CG2-OG 3.43Å; S487-S491 VanDerWaalsContact O-CB 3.3Å; S487-S491 WeakPolarHBondContact O-CB 3.22Å; S487-S491 PolarHBondContact O-N 3.1Å; S487-S491 PolarHBondContact O-OG 3.5Å; K488-S491 PolarHBondContact O-N 3.4Å; G489-S491 PolarHBondContact O-N 3.2Å; S491-R494 PolarHBondContact O-N 2.91Å; S491-M495 PolarHBondContact O-N 2.93Å; S491-F637 VanDerWaalsContact CB-CD2 3.49Å
492	V	98.8	Very high	98.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-68.5	-37.8	175.2	172.6	0	0	0	0	110.8	I467 K488 G489 A490 M495 L496 M542 W545	I467-V492 HydrophobicContact CD1-CG2 4.03Å; K488-V492 HydrophobicContact CG-CG2 4.45Å; K488-V492 WeakPolarHBondContact O-CG2 3.31Å; K488-V492 PolarHBondContact O-N 3.28Å; G489-V492 PolarHBondContact O-N 2.83Å; A490-V492 PolarHBondContact O-N 3.09Å; V492-M495 HydrophobicContact CG1-CE 4.48Å; V492-M495 PolarHBondContact O-N 3.15Å; V492-L496 VanDerWaalsContact O-CB 3.23Å; V492-L496 WeakPolarHBondContact O-CB 3.13Å; V492-L496 PolarHBondContact O-N 2.85Å; V492-M542 HydrophobicContact CG1-SD 3.91Å; V492-W545 HydrophobicContact CG1-CB 4.04Å; V492-W545 HydrophobicContact CG2-CB 4.13Å
493	L	98.9	Very high	98.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63.7	-39.3	172.5	-70.1	174.1	0	0	0	112.2	W420 G424 F425 F428 G489 A490 L496 E497 F505 F526	W420-L493 HydrophobicContact CH2-CD2 4.47Å; W420-L493 HydrophobicContact CZ3-CD1 4.41Å; W420-L493 HydrophobicContact CZ3-CD2 4.03Å; W420-L493 HydrophobicContact CZ3-CG 4.09Å; G424-L493 WeakPolarHBondContact O-CD1 3.37Å; F425-L493 HydrophobicContact CB-CD1 4.45Å; F425-L493 HydrophobicContact CD1-CD1 4.19Å; F425-L493 HydrophobicContact CD2-CD1 3.7Å; F425-L493 HydrophobicContact CE1-CD1 4.39Å; F425-L493 HydrophobicContact CE1-CD2 4.41Å; F425-L493 HydrophobicContact CE2-CD1 3.92Å; F425-L493 HydrophobicContact CE2-CD2 4.14Å; F425-L493 HydrophobicContact CG-CD1 3.86Å; F425-L493 HydrophobicContact CZ-CD1 4.28Å; F425-L493 HydrophobicContact CZ-CD2 3.99Å; F428-L493 HydrophobicContact CB-CB 4.22Å; F428-L493 HydrophobicContact CB-CD1 3.93Å; F428-L493 HydrophobicContact CD1-CB 4.5Å; F428-L493 HydrophobicContact CD2-CB 3.99Å; F428-L493 HydrophobicContact CG-CB 3.96Å; F428-L493 HydrophobicContact CG-CD1 4.32Å; G489-L493 WeakPolarHBondContact O-CG 3.38Å; G489-L493 PolarHBondContact O-N 3.35Å; A490-L493 PolarHBondContact O-N 2.69Å; L493-L496 HydrophobicContact CD2-CD2 4.43Å; L493-L496 PolarHBondContact O-N 3.09Å; L493-E497 WeakPolarHBondContact O-CB 3.46Å; L493-E497 PolarHBondContact O-N 2.66Å; L493-F505 HydrophobicContact CD2-CE2 4.11Å; L493-F505 HydrophobicContact CD2-CZ 4.09Å; L493-F526 HydrophobicContact CD2-CE1 3.94Å; L493-F526 HydrophobicContact CD2-CZ 4.34Å
494	R	98.7	Very high	98.4	Very high	17 Å²	17	25.4 Å²	25.4	6%	0.064	13%	0.127	C	C	.	.	H	α-helix	trans	-62.4	-45.1	174.6	168.5	168	178.4	-86	2	112.4	F428 M447 A490 S491 L496 E497 D498 D633 H634 I635	F428-R494 HydrophobicContact CD2-CB 4.22Å; F428-R494 HydrophobicContact CE2-CB 4.04Å; M447-R494 HydrophobicContact CE-CB 3.52Å; M447-R494 HydrophobicContact CE-CG 4.23Å; M447-R494 HydrophobicContact SD-CB 4.12Å; M447-R494 WeakPolarHBondContact SD-CD 3.44Å; M447-R494 HydrophobicContact SD-CG 4.36Å; A490-R494 PolarHBondContact O-N 2.87Å; S491-R494 PolarHBondContact O-N 2.91Å; R494-L496 VanDerWaalsContact C-N 3.31Å; R494-L496 PolarHBondContact O-N 2.76Å; R494-E497 PolarHBondContact O-N 2.91Å; R494-D498 PolarHBondContact O-N 2.97Å; R494-D498 VanDerWaalsContact O-N 3.16Å; R494-D633 PolarHBondContact NH2-O 3.4Å; R494-H634 PolarHBondContact NH1-O 3.4Å; R494-I635 HydrophobicContact CG-CD1 3.77Å; R494-I635 VanDerWaalsContact CZ-CD1 3.4Å; R494-I635 VanDerWaalsContact NH1-CA 3.3Å; R494-I635 PolarHBondContact NH1-O 2.91Å
495	M	98.8	Very high	98.4	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.025	13%	0.126	C	C	.	.	H	α-helix	trans	-62.5	-40.3	173.9	176.8	176.8	66.4	0	0	111.7	S491 V492 D498 W499 M542 W545 P592	S491-M495 PolarHBondContact O-N 2.93Å; V492-M495 HydrophobicContact CG1-CE 4.48Å; V492-M495 PolarHBondContact O-N 3.15Å; M495-D498 PolarHBondContact O-N 2.86Å; M495-W499 WeakPolarHBondContact O-CB 3.47Å; M495-W499 PolarHBondContact O-N 3.21Å; M495-M542 HydrophobicContact CE-CE 4.24Å; M495-W545 HydrophobicContact CE-CD2 3.57Å; M495-W545 VanDerWaalsContact CE-CE2 3.42Å; M495-W545 HydrophobicContact CE-CE3 4.11Å; M495-W545 HydrophobicContact CE-CG 3.88Å; M495-W545 HydrophobicContact CE-CH2 4.32Å; M495-W545 HydrophobicContact CE-CZ2 3.82Å; M495-W545 HydrophobicContact CE-CZ3 4.47Å; M495-W545 HydrophobicContact SD-CH2 4.34Å; M495-W545 HydrophobicContact SD-CZ2 3.99Å; M495-P592 HydrophobicContact CG-CG 3.88Å; M495-P592 HydrophobicContact SD-CG 4.03Å
496	L	98.7	Very high	98.4	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-67.3	-41.4	178.9	-179.7	58.5	0	0	0	112.5	V492 L493 R494 W499 M500 F505 F526 W527 L530 V538 M542	V492-L496 VanDerWaalsContact O-CB 3.23Å; V492-L496 WeakPolarHBondContact O-CB 3.13Å; V492-L496 PolarHBondContact O-N 2.85Å; L493-L496 HydrophobicContact CD2-CD2 4.43Å; L493-L496 PolarHBondContact O-N 3.09Å; R494-L496 VanDerWaalsContact C-N 3.31Å; R494-L496 PolarHBondContact O-N 2.76Å; L496-W499 HydrophobicContact CD1-CE3 3.63Å; L496-W499 HydrophobicContact CD1-CZ3 3.92Å; L496-W499 PolarHBondContact O-N 3.33Å; L496-M500 HydrophobicContact CD1-CE 3.19Å; L496-M500 HydrophobicContact CD2-CE 4.1Å; L496-M500 HydrophobicContact CG-CE 3.39Å; L496-M500 WeakPolarHBondContact O-CG 3.49Å; L496-M500 PolarHBondContact O-N 3.3Å; L496-F505 HydrophobicContact CD2-CE2 4.36Å; L496-F505 HydrophobicContact CG-CD2 4.48Å; L496-F505 HydrophobicContact CG-CE2 4.47Å; L496-F526 HydrophobicContact CD2-CE1 4.43Å; L496-W527 HydrophobicContact CD2-CE3 4.47Å; L496-W527 HydrophobicContact CD2-CH2 4.23Å; L496-W527 HydrophobicContact CD2-CZ3 3.57Å; L496-L530 HydrophobicContact CD2-CD1 3.65Å; L496-L530 HydrophobicContact CG-CD1 4.45Å; L496-V538 HydrophobicContact CD1-CG1 4.33Å; L496-M542 HydrophobicContact CB-SD 4.01Å; L496-M542 HydrophobicContact CD1-CE 4.22Å; L496-M542 HydrophobicContact CD1-CG 3.88Å; L496-M542 HydrophobicContact CD1-SD 3.78Å; L496-M542 HydrophobicContact CD2-CG 4.08Å; L496-M542 HydrophobicContact CD2-SD 4.04Å; L496-M542 HydrophobicContact CG-SD 4.16Å
497	E	98.6	Very high	98.4	Very high	8 Å²	8	28.2 Å²	28.2	4%	0.037	14%	0.141	C	C	.	.	H	α-helix	trans	-60.1	-44.9	174.4	-176.4	-170.2	-143.6	0	0	111	F428 R444 L493 R494 G501 R502 F505	F428-E497 HydrophobicContact CZ-CB 4.2Å; F428-E497 HydrophobicContact CZ-CG 4.37Å; F428-E497 WeakPolarHBondContact CZ-OE2 3.2Å; R444-E497 IonicContact CZ-OE2 3.81Å; R444-E497 IonicContact NH1-OE2 3.59Å; R444-E497 PolarHBondContact NH1-OE2 3.05Å; R444-E497 IonicContact NH2-OE1 3.88Å; R444-E497 PolarHBondContact NH2-OE1 3.31Å; R444-E497 IonicContact NH2-OE2 2.89Å; L493-E497 WeakPolarHBondContact O-CB 3.46Å; L493-E497 PolarHBondContact O-N 2.66Å; R494-E497 PolarHBondContact O-N 2.91Å; E497-G501 CarbonylContact O-C 3.54Å; E497-G501 VanDerWaalsContact O-C 3.31Å; E497-G501 VanDerWaalsContact O-CA 3.27Å; E497-G501 WeakPolarHBondContact O-CA 3.2Å; E497-G501 PolarHBondContact O-N 3.44Å; E497-R502 HydrophobicContact CG-CB 4.41Å; E497-R502 HydrophobicContact CG-CG 3.95Å; E497-F505 HydrophobicContact CB-CB 4.4Å; E497-F505 HydrophobicContact CB-CD1 4.2Å; E497-F505 HydrophobicContact CB-CD2 4.33Å; E497-F505 HydrophobicContact CB-CG 4.05Å; E497-F505 HydrophobicContact CG-CB 4.12Å; E497-F505 HydrophobicContact CG-CD1 4.04Å; E497-F505 HydrophobicContact CG-CG 4.09Å
498	D	97.7	Very high	98.4	Very high	52 Å²	52	27.5 Å²	27.5	28%	0.278	14%	0.136	S	C	.	.	H	α-helix	trans	-64.4	-46.8	177.4	-169.9	67.8	0	0	0	111.4	R494 M495 M500 G501 K594 I635	R494-D498 PolarHBondContact O-N 2.97Å; R494-D498 VanDerWaalsContact O-N 3.16Å; M495-D498 PolarHBondContact O-N 2.86Å; D498-M500 PolarHBondContact O-N 3.38Å; D498-G501 PolarHBondContact O-N 3.41Å; D498-K594 VanDerWaalsContact CG-NZ 3.32Å; D498-K594 IonicContact OD1-NZ 3.18Å; D498-K594 PolarHBondContact OD1-NZ 3.23Å; D498-K594 IonicContact OD2-NZ 3.49Å; D498-K594 PolarHBondContact OD2-NZ 2.84Å; D498-I635 HydrophobicContact CB-CD1 3.9Å; D498-I635 HydrophobicContact CB-CG1 3.46Å; D498-I635 VanDerWaalsContact CB-CG1 3.46Å; D498-I635 VanDerWaalsContact CG-CG1 3.48Å
499	W	97.7	Very high	98.4	Very high	28 Å²	28	27.5 Å²	27.5	11%	0.106	14%	0.136	C	C	.	.	H	α-helix	trans	-61.3	-42.9	-178.8	172.8	41.9	0	0	0	113.1	M495 L496 L536 V541 M542 P592 M607	M495-W499 WeakPolarHBondContact O-CB 3.47Å; M495-W499 PolarHBondContact O-N 3.21Å; L496-W499 HydrophobicContact CD1-CE3 3.63Å; L496-W499 HydrophobicContact CD1-CZ3 3.92Å; L496-W499 PolarHBondContact O-N 3.33Å; W499-L536 HydrophobicContact CD2-CD1 4.42Å; W499-L536 HydrophobicContact CH2-CB 3.9Å; W499-L536 HydrophobicContact CH2-CD1 4.28Å; W499-L536 HydrophobicContact CZ2-CB 4.01Å; W499-L536 HydrophobicContact CZ2-CD1 3.95Å; W499-L536 HydrophobicContact CZ2-CD2 4.19Å; W499-L536 HydrophobicContact CZ2-CG 4.28Å; W499-V541 HydrophobicContact CH2-CB 4.11Å; W499-V541 HydrophobicContact CH2-CG2 3.63Å; W499-V541 HydrophobicContact CZ2-CG2 4.18Å; W499-V541 HydrophobicContact CZ3-CB 4.1Å; W499-V541 HydrophobicContact CZ3-CG1 4.34Å; W499-V541 HydrophobicContact CZ3-CG2 4.15Å; W499-M542 HydrophobicContact CE3-CE 4.3Å; W499-M542 HydrophobicContact CZ3-CE 4.37Å; W499-P592 HydrophobicContact CB-CB 4.12Å; W499-P592 HydrophobicContact CB-CG 4.27Å; W499-P592 HydrophobicContact CG-CB 3.94Å; W499-P592 HydrophobicContact CG-CG 4.36Å; W499-M607 HydrophobicContact CD2-CE 4.25Å; W499-M607 VanDerWaalsContact CE2-CE 3.47Å; W499-M607 HydrophobicContact CH2-CE 4.5Å; W499-M607 HydrophobicContact CZ2-CE 3.63Å
500	M	96.8	Very high	98.4	Very high	18 Å²	18	30.4 Å²	30.4	9%	0.089	15%	0.147	C	C	.	.	H	α-helix	trans	-90.8	-16.8	-178.5	78	177.1	58.4	0	0	114.4	L496 D498 V504 F505 L530 L536	L496-M500 HydrophobicContact CD1-CE 3.19Å; L496-M500 HydrophobicContact CD2-CE 4.1Å; L496-M500 HydrophobicContact CG-CE 3.39Å; L496-M500 WeakPolarHBondContact O-CG 3.49Å; L496-M500 PolarHBondContact O-N 3.3Å; D498-M500 PolarHBondContact O-N 3.38Å; M500-V504 HydrophobicContact CG-CB 4.4Å; M500-V504 HydrophobicContact CG-CG1 4.46Å; M500-V504 HydrophobicContact SD-CG1 4.27Å; M500-F505 HydrophobicContact CE-CD2 4.16Å; M500-F505 HydrophobicContact CG-CB 3.8Å; M500-F505 WeakPolarHBondContact SD-CA 3.25Å; M500-F505 HydrophobicContact SD-CB 3.52Å; M500-F505 VanDerWaalsContact SD-CB 3.52Å; M500-F505 HydrophobicContact SD-CD2 3.74Å; M500-F505 HydrophobicContact SD-CG 4.13Å; M500-F505 PolarHBondContact SD-N 2.92Å; M500-L530 HydrophobicContact CE-CB 4.44Å; M500-L530 HydrophobicContact CE-CD1 3.89Å; M500-L530 HydrophobicContact CE-CD2 4.49Å; M500-L530 HydrophobicContact SD-CD2 4.34Å; M500-L536 HydrophobicContact CB-CD1 3.84Å
501	G	97.8	Very high	98.4	Very high	30 Å²	30	32.6 Å²	32.6	31%	0.309	16%	0.156	S	C	.	.			trans	87.2	141	-170.5	0	0	0	0	0	113.5	E497 D498 D503 V504 F505	E497-G501 CarbonylContact O-C 3.54Å; E497-G501 VanDerWaalsContact O-C 3.31Å; E497-G501 VanDerWaalsContact O-CA 3.27Å; E497-G501 WeakPolarHBondContact O-CA 3.2Å; E497-G501 PolarHBondContact O-N 3.44Å; D498-G501 PolarHBondContact O-N 3.41Å; G501-D503 PolarHBondContact O-N 2.98Å; G501-V504 PolarHBondContact O-N 2.76Å; G501-F505 PolarHBondContact O-N 3.38Å
502	R	97.6	Very high	98.4	Very high	154 Å²	154	32.6 Å²	32.6	58%	0.581	16%	0.156	S	C	*	.	H	α-helix	trans	-54.9	-42.9	-173	-60.3	-173.1	-179.9	179.3	-0.6	114.5	E497 F505 R506	E497-R502 HydrophobicContact CG-CB 4.41Å; E497-R502 HydrophobicContact CG-CG 3.95Å; R502-F505 PolarHBondContact O-N 3.23Å; R502-R506 WeakPolarHBondContact O-CB 3.35Å; R502-R506 PolarHBondContact O-N 3.02Å
503	D	98.4	Very high	98.4	Very high	100 Å²	100	32.6 Å²	32.6	54%	0.535	16%	0.156	S	C	.	.	H	α-helix	trans	-66.5	-42.5	-178.5	-76.3	-44.1	0	0	0	112.2	G501 R506 D507	G501-D503 PolarHBondContact O-N 2.98Å; D503-R506 PolarHBondContact O-N 2.81Å; D503-R506 IonicContact OD1-CZ 3.6Å; D503-R506 VanDerWaalsContact OD1-CZ 3.28Å; D503-R506 IonicContact OD1-NH1 3.33Å; D503-R506 PolarHBondContact OD1-NH1 2.81Å; D503-R506 IonicContact OD1-NH2 3.31Å; D503-R506 PolarHBondContact OD1-NH2 3.21Å; D503-D507 WeakPolarHBondContact O-CB 3.15Å; D503-D507 VanDerWaalsContact O-CG 3.24Å; D503-D507 PolarHBondContact O-N 3.17Å
504	V	98.5	Very high	98.4	Very high	48 Å²	48	40.5 Å²	40.5	29%	0.291	19%	0.191	S	C	.	.	H	α-helix	trans	-68.5	-40.3	179.2	179.1	0	0	0	0	110.3	M500 G501 D507 G508 V533	M500-V504 HydrophobicContact CG-CB 4.4Å; M500-V504 HydrophobicContact CG-CG1 4.46Å; M500-V504 HydrophobicContact SD-CG1 4.27Å; G501-V504 PolarHBondContact O-N 2.76Å; V504-D507 PolarHBondContact O-N 2.8Å; V504-G508 PolarHBondContact O-N 3.01Å; V504-V533 HydrophobicContact CG1-CG1 4.23Å
505	F	98.8	Very high	98.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.2	-50.7	173.8	-177.4	-99.7	0	0	0	111.8	F428 F429 L493 L496 E497 M500 G501 R502 D507 G508 C509 F526	F428-F505 HydrophobicContact CD1-CE1 4.3Å; F428-F505 HydrophobicContact CE1-CD1 4.44Å; F428-F505 AromaticContact CE1-CE1 3.55Å; F428-F505 HydrophobicContact CE1-CE1 3.55Å; F428-F505 HydrophobicContact CE1-CZ 4.11Å; F428-F505 HydrophobicContact CZ-CE1 4.08Å; F429-F505 HydrophobicContact CE1-CE1 4.39Å; F429-F505 HydrophobicContact CE2-CE1 4.47Å; F429-F505 AromaticContact CZ-CE1 3.74Å; F429-F505 HydrophobicContact CZ-CE1 3.74Å; F429-F505 HydrophobicContact CZ-CZ 4.48Å; L493-F505 HydrophobicContact CD2-CE2 4.11Å; L493-F505 HydrophobicContact CD2-CZ 4.09Å; L496-F505 HydrophobicContact CD2-CE2 4.36Å; L496-F505 HydrophobicContact CG-CD2 4.48Å; L496-F505 HydrophobicContact CG-CE2 4.47Å; E497-F505 HydrophobicContact CB-CB 4.4Å; E497-F505 HydrophobicContact CB-CD1 4.2Å; E497-F505 HydrophobicContact CB-CD2 4.33Å; E497-F505 HydrophobicContact CB-CG 4.05Å; E497-F505 HydrophobicContact CG-CB 4.12Å; E497-F505 HydrophobicContact CG-CD1 4.04Å; E497-F505 HydrophobicContact CG-CG 4.09Å; M500-F505 HydrophobicContact CE-CD2 4.16Å; M500-F505 HydrophobicContact CG-CB 3.8Å; M500-F505 WeakPolarHBondContact SD-CA 3.25Å; M500-F505 HydrophobicContact SD-CB 3.52Å; M500-F505 VanDerWaalsContact SD-CB 3.52Å; M500-F505 HydrophobicContact SD-CD2 3.74Å; M500-F505 HydrophobicContact SD-CG 4.13Å; M500-F505 PolarHBondContact SD-N 2.92Å; G501-F505 PolarHBondContact O-N 3.38Å; R502-F505 PolarHBondContact O-N 3.23Å; F505-D507 VanDerWaalsContact C-N 3.34Å; F505-D507 PolarHBondContact O-N 2.98Å; F505-G508 PolarHBondContact O-N 2.59Å; F505-C509 PolarHBondContact O-N 3.24Å; F505-C509 PolarHBondContact O-SG 3.01Å; F505-F526 HydrophobicContact CE2-CZ 4.18Å
506	R	98.6	Very high	98.4	Very high	57 Å²	57	45.1 Å²	45.1	22%	0.215	21%	0.213	C	C	.	.	H	α-helix	trans	-54.3	-49.7	175.2	179.5	-165.6	68.4	-137.9	-11	111.4	Y343 R502 D503 G508 C509 R510	Y343-R506 HydrophobicContact CD1-CG 4.12Å; Y343-R506 HydrophobicContact CE1-CB 4.14Å; Y343-R506 HydrophobicContact CE1-CG 3.68Å; Y343-R506 HydrophobicContact CE2-CG 4.23Å; R502-R506 WeakPolarHBondContact O-CB 3.35Å; R502-R506 PolarHBondContact O-N 3.02Å; D503-R506 PolarHBondContact O-N 2.81Å; D503-R506 IonicContact OD1-CZ 3.6Å; D503-R506 VanDerWaalsContact OD1-CZ 3.28Å; D503-R506 IonicContact OD1-NH1 3.33Å; D503-R506 PolarHBondContact OD1-NH1 2.81Å; D503-R506 IonicContact OD1-NH2 3.31Å; D503-R506 PolarHBondContact OD1-NH2 3.21Å; R506-G508 VanDerWaalsContact C-N 3.32Å; R506-G508 PolarHBondContact O-N 2.5Å; R506-C509 WeakPolarHBondContact O-CB 3.41Å; R506-C509 PolarHBondContact O-N 3.29Å; R506-R510 VanDerWaalsContact NE-NH1 3.17Å; R506-R510 VanDerWaalsContact O-CG 3.32Å; R506-R510 WeakPolarHBondContact O-CG 3.24Å; R506-R510 PolarHBondContact O-N 3.06Å
507	D	98.7	Very high	98.3	Very high	58 Å²	58	49.5 Å²	49.5	31%	0.31	23%	0.23	S	C	.	.	H	α-helix	trans	-69.7	-31.4	-175.7	-67.5	-15.8	0	0	0	112.2	D503 V504 F505 R510 K511 V533	D503-D507 WeakPolarHBondContact O-CB 3.15Å; D503-D507 VanDerWaalsContact O-CG 3.24Å; D503-D507 PolarHBondContact O-N 3.17Å; V504-D507 PolarHBondContact O-N 2.8Å; F505-D507 VanDerWaalsContact C-N 3.34Å; F505-D507 PolarHBondContact O-N 2.98Å; D507-R510 PolarHBondContact O-N 3.49Å; D507-R510 IonicContact OD1-CZ 3.39Å; D507-R510 IonicContact OD1-NH1 3.96Å; D507-R510 PolarHBondContact OD1-NH1 3.27Å; D507-R510 VanDerWaalsContact OD1-NH1 3.13Å; D507-K511 PolarHBondContact O-N 2.89Å; D507-V533 HydrophobicContact CB-CG1 4.07Å
508	G	98.7	Very high	98.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.8	-42.5	169.3	0	0	0	0	0	113.4	V504 F505 R506 K511 Y512	V504-G508 PolarHBondContact O-N 3.01Å; F505-G508 PolarHBondContact O-N 2.59Å; R506-G508 VanDerWaalsContact C-N 3.32Å; R506-G508 PolarHBondContact O-N 2.5Å; G508-K511 PolarHBondContact O-N 3.29Å; G508-Y512 PolarHBondContact O-N 3.11Å
509	C	98.8	Very high	98.3	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-59.8	-43.9	171.2	-75.4	0	0	0	0	112	F407 F505 R506 K511 Y512 L513	F407-C509 HydrophobicContact CZ-CB 4.08Å; F505-C509 PolarHBondContact O-N 3.24Å; F505-C509 PolarHBondContact O-SG 3.01Å; R506-C509 WeakPolarHBondContact O-CB 3.41Å; R506-C509 PolarHBondContact O-N 3.29Å; C509-K511 VanDerWaalsContact C-N 3.34Å; C509-K511 PolarHBondContact O-N 2.91Å; C509-Y512 PolarHBondContact O-N 3.3Å; C509-L513 WeakPolarHBondContact O-CG 3.32Å; C509-L513 PolarHBondContact O-N 2.8Å
510	R	98.8	Very high	98.4	Very high	62 Å²	62	54.8 Å²	54.8	23%	0.234	25%	0.252	C	S	.	.	H	α-helix	trans	-59.5	-43.2	175.1	-70.5	171.9	169.5	178.2	-9	112.1	E342 Y343 F344 N345 R506 D507 K514	E342-R510 PolarHBondContact O-NH2 3.27Å; Y343-R510 VanDerWaalsContact O-CZ 3.25Å; Y343-R510 PolarHBondContact O-NE 2.86Å; Y343-R510 PolarHBondContact O-NH2 3.49Å; F344-R510 WeakPolarHBondContact O-CG 3.29Å; N345-R510 HydrophobicContact CB-CG 4.39Å; R506-R510 VanDerWaalsContact NE-NH1 3.17Å; R506-R510 VanDerWaalsContact O-CG 3.32Å; R506-R510 WeakPolarHBondContact O-CG 3.24Å; R506-R510 PolarHBondContact O-N 3.06Å; D507-R510 PolarHBondContact O-N 3.49Å; D507-R510 IonicContact OD1-CZ 3.39Å; D507-R510 IonicContact OD1-NH1 3.96Å; D507-R510 PolarHBondContact OD1-NH1 3.27Å; D507-R510 VanDerWaalsContact OD1-NH1 3.13Å; R510-K514 WeakPolarHBondContact O-CB 3.28Å; R510-K514 PolarHBondContact O-N 2.81Å; R510-K514 VanDerWaalsContact O-N 3.12Å
511	K	98.7	Very high	98.5	Very high	45 Å²	45	54 Å²	54	20%	0.196	25%	0.248	C	C	.	.	H	α-helix	trans	-62	-49	175.9	177.8	-179.9	156.1	70.7	0	111.1	D507 G508 C509 L513 K514 E515 E532 V533	D507-K511 PolarHBondContact O-N 2.89Å; G508-K511 PolarHBondContact O-N 3.29Å; C509-K511 VanDerWaalsContact C-N 3.34Å; C509-K511 PolarHBondContact O-N 2.91Å; K511-L513 PolarHBondContact O-N 2.56Å; K511-K514 PolarHBondContact O-N 2.64Å; K511-E515 IonicContact NZ-OE2 2.69Å; K511-E515 PolarHBondContact NZ-OE2 3.08Å; K511-E515 VanDerWaalsContact NZ-OE2 3.1Å; K511-E515 WeakPolarHBondContact O-CB 3.43Å; K511-E515 PolarHBondContact O-N 3.15Å; K511-E532 HydrophobicContact CD-CB 4.34Å; K511-E532 WeakPolarHBondContact CE-OE1 3.28Å; K511-E532 WeakPolarHBondContact CE-OE2 3.41Å; K511-E532 IonicContact NZ-OE1 2.64Å; K511-E532 PolarHBondContact NZ-OE1 3.49Å; K511-E532 IonicContact NZ-OE2 2.56Å; K511-E532 PolarHBondContact NZ-OE2 3.35Å; K511-V533 HydrophobicContact CB-CG2 4.35Å; K511-V533 HydrophobicContact CD-CG2 3.88Å
512	Y	98.8	Very high	98.5	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.008	25%	0.254	C	S	.	.	H	α-helix	trans	-55.7	-52.4	178.2	170.6	-104	0	0	0	111.9	F407 V411 G508 C509 K514 E515 F516 A521 F526	F407-Y512 HydrophobicContact CD1-CD1 4.44Å; F407-Y512 HydrophobicContact CD1-CE1 4.06Å; F407-Y512 AromaticContact CE1-CD1 3.74Å; F407-Y512 HydrophobicContact CE1-CD1 3.74Å; F407-Y512 AromaticContact CE1-CE1 3.81Å; F407-Y512 HydrophobicContact CE1-CE1 3.81Å; V411-Y512 HydrophobicContact CB-CE1 4.13Å; V411-Y512 HydrophobicContact CG1-CE1 3.75Å; V411-Y512 HydrophobicContact CG1-CE2 4.35Å; V411-Y512 WeakPolarHBondContact CG1-OH 3.41Å; V411-Y512 HydrophobicContact CG2-CE1 4.46Å; G508-Y512 PolarHBondContact O-N 3.11Å; C509-Y512 PolarHBondContact O-N 3.3Å; Y512-K514 VanDerWaalsContact C-N 3.27Å; Y512-K514 PolarHBondContact O-N 2.96Å; Y512-E515 PolarHBondContact O-N 2.85Å; Y512-F516 AromaticContact CD2-CD2 3.68Å; Y512-F516 HydrophobicContact CD2-CD2 3.68Å; Y512-F516 HydrophobicContact CD2-CE2 4.09Å; Y512-F516 AromaticContact CE2-CD2 3.87Å; Y512-F516 HydrophobicContact CE2-CD2 3.87Å; Y512-F516 HydrophobicContact CE2-CE2 4.36Å; Y512-F516 HydrophobicContact CE2-CG 4.45Å; Y512-F516 HydrophobicContact CG-CD2 4.49Å; Y512-F516 WeakPolarHBondContact O-CD2 3.2Å; Y512-F516 PolarHBondContact O-N 3.04Å; Y512-F516 VanDerWaalsContact O-N 3.08Å; Y512-A521 HydrophobicContact CE2-CB 3.64Å; Y512-A521 VanDerWaalsContact OH-CB 3.28Å; Y512-A521 WeakPolarHBondContact OH-CB 3.41Å; Y512-F526 HydrophobicContact CD1-CD2 4.12Å; Y512-F526 HydrophobicContact CD2-CB 4.06Å; Y512-F526 AromaticContact CD2-CD2 3.95Å; Y512-F526 HydrophobicContact CD2-CD2 3.95Å; Y512-F526 HydrophobicContact CE2-CB 3.92Å; Y512-F526 HydrophobicContact CE2-CD2 4.38Å; Y512-F526 AromaticContact CG-CD2 3.78Å; Y512-F526 HydrophobicContact CG-CD2 3.78Å
513	L	98.8	Very high	98.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-57.8	-40.6	179	-71.4	174	0	0	0	112.2	F344 M346 W406 F407 V411 C509 K511 Y517	F344-L513 HydrophobicContact CB-CD1 3.8Å; F344-L513 HydrophobicContact CD1-CD1 3.91Å; F344-L513 HydrophobicContact CG-CD1 3.86Å; M346-L513 HydrophobicContact CE-CB 3.69Å; M346-L513 HydrophobicContact SD-CB 4.14Å; W406-L513 HydrophobicContact CB-CD1 4.08Å; W406-L513 HydrophobicContact CB-CD2 4.05Å; W406-L513 HydrophobicContact CG-CD1 4.44Å; F407-L513 HydrophobicContact CD1-CD2 4.21Å; F407-L513 HydrophobicContact CD2-CD2 4.27Å; F407-L513 HydrophobicContact CE1-CD2 3.98Å; F407-L513 HydrophobicContact CE1-CG 4.24Å; F407-L513 HydrophobicContact CE2-CD1 3.74Å; F407-L513 HydrophobicContact CE2-CD2 4.04Å; F407-L513 HydrophobicContact CE2-CG 4.12Å; F407-L513 HydrophobicContact CG-CD2 4.35Å; F407-L513 HydrophobicContact CZ-CD1 3.84Å; F407-L513 HydrophobicContact CZ-CD2 3.89Å; F407-L513 HydrophobicContact CZ-CG 3.8Å; V411-L513 HydrophobicContact CB-CD2 4.37Å; V411-L513 HydrophobicContact CG2-CD2 3.8Å; C509-L513 WeakPolarHBondContact O-CG 3.32Å; C509-L513 PolarHBondContact O-N 2.8Å; K511-L513 PolarHBondContact O-N 2.56Å; L513-Y517 WeakPolarHBondContact O-CA 3.28Å; L513-Y517 PolarHBondContact O-N 2.98Å; L513-Y517 VanDerWaalsContact O-N 3.15Å
514	K	98.5	Very high	98.6	Very high	167 Å²	167	48.5 Å²	48.5	73%	0.726	23%	0.228	S	C	*	.	H	α-helix	trans	-68.8	-38.9	179	-175.8	177.6	179.3	179.5	0	112.8	M346 R510 K511 Y512	M346-K514 HydrophobicContact CE-CB 4.48Å; R510-K514 WeakPolarHBondContact O-CB 3.28Å; R510-K514 PolarHBondContact O-N 2.81Å; R510-K514 VanDerWaalsContact O-N 3.12Å; K511-K514 PolarHBondContact O-N 2.64Å; Y512-K514 VanDerWaalsContact C-N 3.27Å; Y512-K514 PolarHBondContact O-N 2.96Å
515	E	98.4	Very high	98.6	Very high	95 Å²	95	49 Å²	49	44%	0.444	23%	0.229	S	C	.	.	H	α-helix	trans	-72.6	-37	-176.5	-169.9	165.5	157.4	0	0	112.3	K511 Y512	K511-E515 IonicContact NZ-OE2 2.69Å; K511-E515 PolarHBondContact NZ-OE2 3.08Å; K511-E515 VanDerWaalsContact NZ-OE2 3.1Å; K511-E515 WeakPolarHBondContact O-CB 3.43Å; K511-E515 PolarHBondContact O-N 3.15Å; Y512-E515 PolarHBondContact O-N 2.85Å
516	F	98.5	Very high	98.6	Very high	24 Å²	24	49 Å²	49	11%	0.105	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	18.8	-178.4	-63.1	-83.4	0	0	0	113.6	V411 Y512 F518 K519 N520 A521 N525	V411-F516 HydrophobicContact CB-CB 4.37Å; V411-F516 HydrophobicContact CG1-CB 3.59Å; V411-F516 HydrophobicContact CG1-CG 4.48Å; V411-F516 HydrophobicContact CG2-CB 3.85Å; Y512-F516 AromaticContact CD2-CD2 3.68Å; Y512-F516 HydrophobicContact CD2-CD2 3.68Å; Y512-F516 HydrophobicContact CD2-CE2 4.09Å; Y512-F516 AromaticContact CE2-CD2 3.87Å; Y512-F516 HydrophobicContact CE2-CD2 3.87Å; Y512-F516 HydrophobicContact CE2-CE2 4.36Å; Y512-F516 HydrophobicContact CE2-CG 4.45Å; Y512-F516 HydrophobicContact CG-CD2 4.49Å; Y512-F516 WeakPolarHBondContact O-CD2 3.2Å; Y512-F516 PolarHBondContact O-N 3.04Å; Y512-F516 VanDerWaalsContact O-N 3.08Å; F516-F518 PolarHBondContact O-N 2.65Å; F516-F518 VanDerWaalsContact O-N 3.16Å; F516-K519 WeakPolarHBondContact O-CA 2.94Å; F516-K519 WeakPolarHBondContact O-CB 2.74Å; F516-K519 PolarHBondContact O-N 2.96Å; F516-N520 WeakPolarHBondContact CD1-O 3.38Å; F516-A521 HydrophobicContact CB-CB 4.33Å; F516-A521 HydrophobicContact CD1-CB 3.77Å; F516-A521 HydrophobicContact CD2-CB 4.33Å; F516-A521 HydrophobicContact CE1-CB 4.22Å; F516-A521 HydrophobicContact CG-CB 3.86Å; F516-N525 HydrophobicContact CE1-CB 3.98Å; F516-N525 HydrophobicContact CE2-CB 3.72Å; F516-N525 HydrophobicContact CZ-CB 3.39Å
517	Y	98.1	Very high	98.6	Very high	91 Å²	91	46.4 Å²	46.4	36%	0.357	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	118.8	-179.7	-168.3	-110	0	0	0	112.2	M346 S349 I410 L513 K519	M346-Y517 HydrophobicContact CE-CD2 3.82Å; M346-Y517 HydrophobicContact CE-CE2 4.27Å; M346-Y517 HydrophobicContact CG-CE2 4.44Å; M346-Y517 HydrophobicContact SD-CD2 3.79Å; M346-Y517 HydrophobicContact SD-CE2 3.81Å; S349-Y517 PolarHBondContact OG-OH 3.01Å; I410-Y517 HydrophobicContact CD1-CE2 4.29Å; I410-Y517 HydrophobicContact CG2-CD2 3.4Å; I410-Y517 VanDerWaalsContact CG2-CD2 3.4Å; I410-Y517 HydrophobicContact CG2-CE2 3.79Å; I410-Y517 HydrophobicContact CG2-CG 4.29Å; L513-Y517 WeakPolarHBondContact O-CA 3.28Å; L513-Y517 PolarHBondContact O-N 2.98Å; L513-Y517 VanDerWaalsContact O-N 3.15Å; Y517-K519 PolarHBondContact O-N 3.31Å
518	F	97.9	Very high	98.6	Very high	47 Å²	47	46.4 Å²	46.4	21%	0.206	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	25.9	-174.5	-54.9	-32.3	0	0	0	115.5	I287 S349 W369 I410 F516	I287-F518 HydrophobicContact CB-CE1 4.41Å; I287-F518 HydrophobicContact CB-CE2 4.44Å; I287-F518 HydrophobicContact CB-CZ 4.16Å; I287-F518 HydrophobicContact CD1-CE1 3.76Å; I287-F518 HydrophobicContact CD1-CZ 3.98Å; I287-F518 HydrophobicContact CG1-CE1 4.47Å; I287-F518 HydrophobicContact CG2-CE2 4.29Å; I287-F518 HydrophobicContact CG2-CZ 4.03Å; S349-F518 WeakPolarHBondContact OG-CE1 3.42Å; W369-F518 AromaticContact CH2-CD1 3.79Å; W369-F518 HydrophobicContact CH2-CD1 3.79Å; W369-F518 AromaticContact CH2-CE1 3.61Å; W369-F518 HydrophobicContact CH2-CE1 3.61Å; W369-F518 HydrophobicContact CZ2-CE1 4.09Å; I410-F518 HydrophobicContact CG1-CE1 4.27Å; I410-F518 HydrophobicContact CG2-CD1 4.38Å; I410-F518 VanDerWaalsContact O-CA 3.26Å; I410-F518 WeakPolarHBondContact O-CA 3.01Å; I410-F518 PolarHBondContact O-N 2.94Å; F516-F518 PolarHBondContact O-N 2.65Å; F516-F518 VanDerWaalsContact O-N 3.16Å
519	K	98	Very high	98.6	Very high	123 Å²	123	46.4 Å²	46.4	54%	0.535	23%	0.228	S	C	.	.	S	Bend	trans	-123.1	-174.1	177.4	-62	175.7	-173.7	168.1	0	110.2	K246 T412 F516 Y517	K246-K519 PolarHBondContact NZ-O 3Å; K246-K519 VanDerWaalsContact NZ-O 3.12Å; T412-K519 PolarHBondContact N-O 3.36Å; F516-K519 WeakPolarHBondContact O-CA 2.94Å; F516-K519 WeakPolarHBondContact O-CB 2.74Å; F516-K519 PolarHBondContact O-N 2.96Å; Y517-K519 PolarHBondContact O-N 3.31Å
520	N	98.8	Very high	98.6	Very high	29 Å²	29	46.5 Å²	46.5	16%	0.155	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	156.8	171.4	-57.7	75.8	0	0	0	110.7	P243 N244 T412 M413 D414 F516	P243-N520 PolarHBondContact O-ND2 3.28Å; N244-N520 WeakPolarHBondContact CA-ND2 3Å; N244-N520 HydrophobicContact CB-CB 4.32Å; T412-N520 CarbonylContact O-C 3.55Å; T412-N520 WeakPolarHBondContact O-CA 3.35Å; T412-N520 WeakPolarHBondContact O-CB 3.18Å; M413-N520 PolarHBondContact O-ND2 3.13Å; D414-N520 HydrophobicContact CB-CB 4.16Å; F516-N520 WeakPolarHBondContact CD1-O 3.38Å
521	A	98.7	Very high	98.6	Very high	1 Å²	1	45 Å²	45	1%	0.008	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	158.9	178.7	0	0	0	0	0	111.6	V411 T412 M413 D414 Y512 F516 N525	V411-A521 HydrophobicContact CG1-CB 3.89Å; T412-A521 PolarHBondContact O-N 3.17Å; M413-A521 CarbonylContact C-O 3.52Å; M413-A521 WeakPolarHBondContact CA-O 3.43Å; D414-A521 PolarHBondContact N-O 2.71Å; Y512-A521 HydrophobicContact CE2-CB 3.64Å; Y512-A521 VanDerWaalsContact OH-CB 3.28Å; Y512-A521 WeakPolarHBondContact OH-CB 3.41Å; F516-A521 HydrophobicContact CB-CB 4.33Å; F516-A521 HydrophobicContact CD1-CB 3.77Å; F516-A521 HydrophobicContact CD2-CB 4.33Å; F516-A521 HydrophobicContact CE1-CB 4.22Å; F516-A521 HydrophobicContact CG-CB 3.86Å; A521-N525 HydrophobicContact CB-CB 4.23Å
522	K	98.8	Very high	98.5	Very high	100 Å²	100	49 Å²	49	44%	0.435	25%	0.248	S	C	.	.			trans	-108.7	164.9	170.2	-60.8	-170.7	179.8	-161.4	0	110.7	D414 D418 A524 N525 F526	D414-K522 HydrophobicContact CB-CG 3.96Å; D414-K522 WeakPolarHBondContact OD2-CE 3.47Å; D414-K522 IonicContact OD2-NZ 3.97Å; D414-K522 PolarHBondContact OD2-NZ 3Å; D418-K522 WeakPolarHBondContact OD2-CA 3.24Å; D418-K522 WeakPolarHBondContact OD2-CB 3.44Å; K522-A524 PolarHBondContact O-N 2.91Å; K522-A524 VanDerWaalsContact O-N 3.13Å; K522-N525 PolarHBondContact N-OD1 3.48Å; K522-N525 VanDerWaalsContact O-CB 3.26Å; K522-N525 WeakPolarHBondContact O-CB 3.12Å; K522-N525 PolarHBondContact O-N 2.98Å; K522-F526 PolarHBondContact O-N 3.17Å
523	T	98.8	Very high	98.4	Very high	4 Å²	4	51.5 Å²	51.5	3%	0.025	26%	0.263	C	S	.	.	H	α-helix	trans	-52.9	-40.3	177.9	-71	0	0	0	0	112.9	D418 W420 I468 N525 F526 W527	D418-T523 VanDerWaalsContact CG-OG1 3.29Å; D418-T523 WeakPolarHBondContact OD1-CB 3.32Å; D418-T523 PolarHBondContact OD1-OG1 3.45Å; D418-T523 PolarHBondContact OD2-N 3.43Å; W420-T523 HydrophobicContact CZ2-CG2 3.72Å; W420-T523 PolarHBondContact NE1-OG1 3.4Å; I468-T523 HydrophobicContact CD1-CG2 3.77Å; T523-N525 PolarHBondContact O-N 2.87Å; T523-F526 PolarHBondContact O-N 3.06Å; T523-F526 VanDerWaalsContact O-N 3.15Å; T523-W527 HydrophobicContact CG2-CD2 4.28Å; T523-W527 VanDerWaalsContact CG2-CE2 3.42Å; T523-W527 HydrophobicContact CG2-CG 4.5Å; T523-W527 HydrophobicContact CG2-CZ2 3.72Å; T523-W527 PolarHBondContact O-N 3.16Å; T523-W527 VanDerWaalsContact O-N 3.13Å
524	A	98.7	Very high	98.4	Very high	66 Å²	66	52.5 Å²	52.5	55%	0.545	27%	0.271	S	S	.	.	H	α-helix	trans	-60.1	-29.9	177.6	0	0	0	0	0	113.5	K522 A528	K522-A524 PolarHBondContact O-N 2.91Å; K522-A524 VanDerWaalsContact O-N 3.13Å; A524-A528 WeakPolarHBondContact O-CB 3.5Å; A524-A528 PolarHBondContact O-N 3.36Å
525	N	98.8	Very high	98.2	Very high	57 Å²	57	51.6 Å²	51.6	31%	0.305	27%	0.274	S	S	.	.	H	α-helix	trans	-71.4	-38.6	177.5	-63.2	123.2	0	0	0	112.2	F516 A521 K522 T523 A528 S529	F516-N525 HydrophobicContact CE1-CB 3.98Å; F516-N525 HydrophobicContact CE2-CB 3.72Å; F516-N525 HydrophobicContact CZ-CB 3.39Å; A521-N525 HydrophobicContact CB-CB 4.23Å; K522-N525 PolarHBondContact N-OD1 3.48Å; K522-N525 VanDerWaalsContact O-CB 3.26Å; K522-N525 WeakPolarHBondContact O-CB 3.12Å; K522-N525 PolarHBondContact O-N 2.98Å; T523-N525 PolarHBondContact O-N 2.87Å; N525-A528 PolarHBondContact O-N 2.79Å; N525-S529 PolarHBondContact O-N 2.95Å; N525-S529 PolarHBondContact O-OG 2.8Å
526	F	98.8	Very high	98.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.4	-45.7	174.1	-179.7	-118.1	0	0	0	110.9	W420 L421 F425 L493 L496 F505 Y512 K522 T523 A528 S529 L530	W420-F526 HydrophobicContact CH2-CD1 4.48Å; L421-F526 HydrophobicContact CD2-CB 4.3Å; F425-F526 HydrophobicContact CE1-CD2 4.28Å; F425-F526 HydrophobicContact CE1-CE1 4.11Å; F425-F526 AromaticContact CE1-CE2 3.68Å; F425-F526 HydrophobicContact CE1-CE2 3.68Å; F425-F526 AromaticContact CE1-CZ 3.58Å; F425-F526 HydrophobicContact CE1-CZ 3.58Å; F425-F526 HydrophobicContact CE2-CD1 4.46Å; F425-F526 HydrophobicContact CE2-CE1 4.34Å; F425-F526 AromaticContact CZ-CD1 3.71Å; F425-F526 HydrophobicContact CZ-CD1 3.71Å; F425-F526 AromaticContact CZ-CD2 3.9Å; F425-F526 HydrophobicContact CZ-CD2 3.9Å; F425-F526 AromaticContact CZ-CE1 3.41Å; F425-F526 HydrophobicContact CZ-CE1 3.41Å; F425-F526 VanDerWaalsContact CZ-CE1 3.41Å; F425-F526 AromaticContact CZ-CE2 3.62Å; F425-F526 HydrophobicContact CZ-CE2 3.62Å; F425-F526 AromaticContact CZ-CG 3.95Å; F425-F526 HydrophobicContact CZ-CG 3.95Å; F425-F526 AromaticContact CZ-CZ 3.36Å; F425-F526 HydrophobicContact CZ-CZ 3.36Å; L493-F526 HydrophobicContact CD2-CE1 3.94Å; L493-F526 HydrophobicContact CD2-CZ 4.34Å; L496-F526 HydrophobicContact CD2-CE1 4.43Å; F505-F526 HydrophobicContact CE2-CZ 4.18Å; Y512-F526 HydrophobicContact CD1-CD2 4.12Å; Y512-F526 HydrophobicContact CD2-CB 4.06Å; Y512-F526 AromaticContact CD2-CD2 3.95Å; Y512-F526 HydrophobicContact CD2-CD2 3.95Å; Y512-F526 HydrophobicContact CE2-CB 3.92Å; Y512-F526 HydrophobicContact CE2-CD2 4.38Å; Y512-F526 AromaticContact CG-CD2 3.78Å; Y512-F526 HydrophobicContact CG-CD2 3.78Å; K522-F526 PolarHBondContact O-N 3.17Å; T523-F526 PolarHBondContact O-N 3.06Å; T523-F526 VanDerWaalsContact O-N 3.15Å; F526-A528 VanDerWaalsContact C-N 3.34Å; F526-A528 PolarHBondContact O-N 3.13Å; F526-S529 WeakPolarHBondContact O-CB 3.15Å; F526-S529 PolarHBondContact O-N 2.84Å; F526-S529 VanDerWaalsContact O-N 3.1Å; F526-L530 HydrophobicContact CD1-CD1 3.99Å; F526-L530 HydrophobicContact CD2-CG 4.39Å; F526-L530 HydrophobicContact CE1-CD1 3.34Å; F526-L530 HydrophobicContact CE1-CG 4.1Å; F526-L530 HydrophobicContact CE2-CD1 4.06Å; F526-L530 HydrophobicContact CE2-CD2 3.93Å; F526-L530 HydrophobicContact CE2-CG 3.93Å; F526-L530 HydrophobicContact CZ-CD1 3.38Å; F526-L530 HydrophobicContact CZ-CD2 3.88Å; F526-L530 HydrophobicContact CZ-CG 3.77Å; F526-L530 PolarHBondContact O-N 2.98Å
527	W	98.8	Very high	98.1	Very high	3 Å²	3	51.7 Å²	51.7	1%	0.011	28%	0.282	C	S	.	.	H	α-helix	trans	-57.5	-43.9	174.7	-58.8	157.2	0	0	0	113.5	W420 L496 T523 S529 L530 A531 V538 A539 M542 D543 T546	W420-W527 AromaticContact CH2-CH2 3.41Å; W420-W527 HydrophobicContact CH2-CH2 3.41Å; W420-W527 VanDerWaalsContact CH2-CH2 3.41Å; W420-W527 AromaticContact CH2-CZ2 3.82Å; W420-W527 HydrophobicContact CH2-CZ2 3.82Å; W420-W527 HydrophobicContact CH2-CZ3 4.2Å; W420-W527 AromaticContact CZ2-CH2 3.95Å; W420-W527 HydrophobicContact CZ2-CH2 3.95Å; W420-W527 AromaticContact CZ2-CZ2 3.88Å; W420-W527 HydrophobicContact CZ2-CZ2 3.88Å; W420-W527 HydrophobicContact CZ3-CH2 4.44Å; L496-W527 HydrophobicContact CD2-CE3 4.47Å; L496-W527 HydrophobicContact CD2-CH2 4.23Å; L496-W527 HydrophobicContact CD2-CZ3 3.57Å; T523-W527 HydrophobicContact CG2-CD2 4.28Å; T523-W527 VanDerWaalsContact CG2-CE2 3.42Å; T523-W527 HydrophobicContact CG2-CG 4.5Å; T523-W527 HydrophobicContact CG2-CZ2 3.72Å; T523-W527 PolarHBondContact O-N 3.16Å; T523-W527 VanDerWaalsContact O-N 3.13Å; W527-S529 VanDerWaalsContact C-N 3.31Å; W527-S529 PolarHBondContact O-N 2.95Å; W527-L530 HydrophobicContact CE3-CD1 4.05Å; W527-L530 HydrophobicContact CZ3-CD1 4.14Å; W527-L530 PolarHBondContact O-N 2.96Å; W527-A531 VanDerWaalsContact O-CB 3.27Å; W527-A531 WeakPolarHBondContact O-CB 3.34Å; W527-A531 PolarHBondContact O-N 3.36Å; W527-V538 HydrophobicContact CB-CG1 4.37Å; W527-V538 HydrophobicContact CD2-CG1 4.19Å; W527-V538 HydrophobicContact CE3-CG1 3.67Å; W527-V538 HydrophobicContact CZ3-CG1 4.3Å; W527-A539 HydrophobicContact CB-CB 3.99Å; W527-A539 HydrophobicContact CG-CB 4.3Å; W527-M542 HydrophobicContact CD2-CB 4.16Å; W527-M542 HydrophobicContact CE3-CB 4.31Å; W527-M542 HydrophobicContact CE3-CG 4.41Å; W527-M542 HydrophobicContact CH2-CB 3.64Å; W527-M542 HydrophobicContact CH2-CG 3.92Å; W527-M542 HydrophobicContact CZ2-CB 3.45Å; W527-M542 VanDerWaalsContact CZ2-CB 3.45Å; W527-M542 HydrophobicContact CZ2-CG 4.25Å; W527-M542 HydrophobicContact CZ3-CB 4.06Å; W527-M542 HydrophobicContact CZ3-CG 4Å; W527-D543 PolarHBondContact NE1-OD1 3.47Å; W527-T546 HydrophobicContact CH2-CG2 4.45Å; W527-T546 HydrophobicContact CZ2-CG2 3.76Å
528	A	98.7	Very high	98.1	Very high	58 Å²	58	47.4 Å²	47.4	48%	0.479	27%	0.265	S	S	.	.	H	α-helix	trans	-61.1	-40.6	176.2	0	0	0	0	0	111.9	A524 N525 F526 A531 E532	A524-A528 WeakPolarHBondContact O-CB 3.5Å; A524-A528 PolarHBondContact O-N 3.36Å; N525-A528 PolarHBondContact O-N 2.79Å; F526-A528 VanDerWaalsContact C-N 3.34Å; F526-A528 PolarHBondContact O-N 3.13Å; A528-A531 PolarHBondContact O-N 3.08Å; A528-E532 PolarHBondContact O-N 3.13Å; A528-E532 VanDerWaalsContact O-N 3.1Å
529	S	98.6	Very high	98.1	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.007	27%	0.272	C	S	.	.	H	α-helix	trans	-63.6	-44.9	178.8	-56.9	0	0	0	0	111.9	N525 F526 W527	N525-S529 PolarHBondContact O-N 2.95Å; N525-S529 PolarHBondContact O-OG 2.8Å; F526-S529 WeakPolarHBondContact O-CB 3.15Å; F526-S529 PolarHBondContact O-N 2.84Å; F526-S529 VanDerWaalsContact O-N 3.1Å; W527-S529 VanDerWaalsContact C-N 3.31Å; W527-S529 PolarHBondContact O-N 2.95Å
530	L	98.5	Very high	98.1	Very high	1 Å²	1	46 Å²	46	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-67.6	-40.5	176.6	-65.1	-178.5	0	0	0	112.4	L496 M500 F526 W527 E532 V533 S534 V538	L496-L530 HydrophobicContact CD2-CD1 3.65Å; L496-L530 HydrophobicContact CG-CD1 4.45Å; M500-L530 HydrophobicContact CE-CB 4.44Å; M500-L530 HydrophobicContact CE-CD1 3.89Å; M500-L530 HydrophobicContact CE-CD2 4.49Å; M500-L530 HydrophobicContact SD-CD2 4.34Å; F526-L530 HydrophobicContact CD1-CD1 3.99Å; F526-L530 HydrophobicContact CD2-CG 4.39Å; F526-L530 HydrophobicContact CE1-CD1 3.34Å; F526-L530 HydrophobicContact CE1-CG 4.1Å; F526-L530 HydrophobicContact CE2-CD1 4.06Å; F526-L530 HydrophobicContact CE2-CD2 3.93Å; F526-L530 HydrophobicContact CE2-CG 3.93Å; F526-L530 HydrophobicContact CZ-CD1 3.38Å; F526-L530 HydrophobicContact CZ-CD2 3.88Å; F526-L530 HydrophobicContact CZ-CG 3.77Å; F526-L530 PolarHBondContact O-N 2.98Å; W527-L530 HydrophobicContact CE3-CD1 4.05Å; W527-L530 HydrophobicContact CZ3-CD1 4.14Å; W527-L530 PolarHBondContact O-N 2.96Å; L530-E532 VanDerWaalsContact C-N 3.32Å; L530-E532 PolarHBondContact O-N 3.39Å; L530-V533 PolarHBondContact O-N 3.19Å; L530-S534 WeakPolarHBondContact O-CB 3.43Å; L530-S534 PolarHBondContact O-N 2.78Å; L530-S534 PolarHBondContact O-OG 2.72Å; L530-V538 HydrophobicContact CB-CG1 4.2Å; L530-V538 HydrophobicContact CB-CG2 4.07Å; L530-V538 HydrophobicContact CD1-CG1 4.1Å
531	A	98.3	Very high	98.1	Very high	30 Å²	30	44.8 Å²	44.8	25%	0.248	26%	0.262	C	S	.	.	H	α-helix	trans	-63.5	-36.9	-179.7	0	0	0	0	0	112.2	W527 A528 V533 N535 V538	W527-A531 VanDerWaalsContact O-CB 3.27Å; W527-A531 WeakPolarHBondContact O-CB 3.34Å; W527-A531 PolarHBondContact O-N 3.36Å; A528-A531 PolarHBondContact O-N 3.08Å; A531-V533 VanDerWaalsContact C-N 3.32Å; A531-V533 PolarHBondContact O-N 3.33Å; A531-N535 WeakPolarHBondContact O-CA 3.48Å; A531-N535 PolarHBondContact O-N 2.96Å; A531-V538 HydrophobicContact CB-CB 4.45Å; A531-V538 HydrophobicContact CB-CG2 4.35Å
532	E	97.6	Very high	98.1	Very high	130 Å²	130	44.8 Å²	44.8	61%	0.607	26%	0.261	S	S	*	.	H	α-helix	trans	-65.9	-33.7	178.2	-167.3	178.7	133.6	0	0	112.8	K511 A528 L530	K511-E532 HydrophobicContact CD-CB 4.34Å; K511-E532 WeakPolarHBondContact CE-OE1 3.28Å; K511-E532 WeakPolarHBondContact CE-OE2 3.41Å; K511-E532 IonicContact NZ-OE1 2.64Å; K511-E532 PolarHBondContact NZ-OE1 3.49Å; K511-E532 IonicContact NZ-OE2 2.56Å; K511-E532 PolarHBondContact NZ-OE2 3.35Å; A528-E532 PolarHBondContact O-N 3.13Å; A528-E532 VanDerWaalsContact O-N 3.1Å; L530-E532 VanDerWaalsContact C-N 3.32Å; L530-E532 PolarHBondContact O-N 3.39Å
533	V	97.4	Very high	98.1	Very high	54 Å²	54	41.3 Å²	41.3	33%	0.327	25%	0.248	S	C	.	.	H	α-helix	trans	-84.8	-36.9	179.9	-176.3	0	0	0	0	111.6	V504 D507 K511 L530 A531	V504-V533 HydrophobicContact CG1-CG1 4.23Å; D507-V533 HydrophobicContact CB-CG1 4.07Å; K511-V533 HydrophobicContact CB-CG2 4.35Å; K511-V533 HydrophobicContact CD-CG2 3.88Å; L530-V533 PolarHBondContact O-N 3.19Å; A531-V533 VanDerWaalsContact C-N 3.32Å; A531-V533 PolarHBondContact O-N 3.33Å
534	S	97.1	Very high	98.1	Very high	22 Å²	22	41.1 Å²	41.1	15%	0.154	25%	0.247	C	C	.	.	H	α-helix	trans	-91	-25.3	-174.2	63.1	0	0	0	0	114.7	L530 L536	L530-S534 WeakPolarHBondContact O-CB 3.43Å; L530-S534 PolarHBondContact O-N 2.78Å; L530-S534 PolarHBondContact O-OG 2.72Å; S534-L536 PolarHBondContact O-N 3.15Å; S534-L536 PolarHBondContact OG-N 3.17Å; S534-L536 VanDerWaalsContact OG-N 3.16Å
535	N	95.1	Very high	98.1	Very high	147 Å²	147	38 Å²	38	79%	0.786	22%	0.221	S	C	*	.			trans	56	16.8	-163.6	-56.4	-76.7	0	0	0	114.2	A531	A531-N535 WeakPolarHBondContact O-CA 3.48Å; A531-N535 PolarHBondContact O-N 2.96Å
536	L	96.9	Very high	98.1	Very high	54 Å²	54	35.3 Å²	35.3	28%	0.283	21%	0.206	S	C	.	.	S	Bend	trans	-87	153.5	174.8	-64.9	174.9	0	0	0	110.6	W499 M500 S534 V538	W499-L536 HydrophobicContact CD2-CD1 4.42Å; W499-L536 HydrophobicContact CH2-CB 3.9Å; W499-L536 HydrophobicContact CH2-CD1 4.28Å; W499-L536 HydrophobicContact CZ2-CB 4.01Å; W499-L536 HydrophobicContact CZ2-CD1 3.95Å; W499-L536 HydrophobicContact CZ2-CD2 4.19Å; W499-L536 HydrophobicContact CZ2-CG 4.28Å; M500-L536 HydrophobicContact CB-CD1 3.84Å; S534-L536 PolarHBondContact O-N 3.15Å; S534-L536 PolarHBondContact OG-N 3.17Å; S534-L536 VanDerWaalsContact OG-N 3.16Å; L536-V538 HydrophobicContact CB-CG2 4.13Å; L536-V538 PolarHBondContact O-N 3.35Å
537	P	97.4	Very high	98.1	Very high	68 Å²	68	39.6 Å²	39.6	44%	0.442	23%	0.225	S	C	.	.			trans	-77.4	57.9	176.6	34.5	-37.1	0	0	0	111.4	A539 E540 V541	P537-A539 PolarHBondContact O-N 2.76Å; P537-E540 HydrophobicContact CB-CB 4.16Å; P537-E540 WeakPolarHBondContact O-CB 3.18Å; P537-E540 PolarHBondContact O-N 2.53Å; P537-V541 HydrophobicContact CG-CG2 4.44Å; P537-V541 PolarHBondContact O-N 2.75Å
538	V	98.5	Very high	98.1	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	23%	0.225	C	C	.	.	H	α-helix	trans	-53.6	-49.7	-169.5	178.7	0	0	0	0	112	L496 W527 L530 A531 L536 E540 V541 M542	L496-V538 HydrophobicContact CD1-CG1 4.33Å; W527-V538 HydrophobicContact CB-CG1 4.37Å; W527-V538 HydrophobicContact CD2-CG1 4.19Å; W527-V538 HydrophobicContact CE3-CG1 3.67Å; W527-V538 HydrophobicContact CZ3-CG1 4.3Å; L530-V538 HydrophobicContact CB-CG1 4.2Å; L530-V538 HydrophobicContact CB-CG2 4.07Å; L530-V538 HydrophobicContact CD1-CG1 4.1Å; A531-V538 HydrophobicContact CB-CB 4.45Å; A531-V538 HydrophobicContact CB-CG2 4.35Å; L536-V538 HydrophobicContact CB-CG2 4.13Å; L536-V538 PolarHBondContact O-N 3.35Å; V538-E540 VanDerWaalsContact C-N 3.35Å; V538-E540 PolarHBondContact O-N 2.9Å; V538-V541 PolarHBondContact O-N 3.44Å; V538-M542 HydrophobicContact CG1-CG 3.95Å; V538-M542 VanDerWaalsContact O-CB 3.31Å; V538-M542 WeakPolarHBondContact O-CB 3.33Å; V538-M542 WeakPolarHBondContact O-CG 3.45Å; V538-M542 PolarHBondContact O-N 3.21Å
539	A	98.3	Very high	98.1	Very high	41 Å²	41	37.5 Å²	37.5	34%	0.339	21%	0.206	S	C	.	.	H	α-helix	trans	-62.5	-38.5	-179.8	0	0	0	0	0	112.9	W527 P537 V541 D543	W527-A539 HydrophobicContact CB-CB 3.99Å; W527-A539 HydrophobicContact CG-CB 4.3Å; P537-A539 PolarHBondContact O-N 2.76Å; A539-V541 VanDerWaalsContact C-N 3.28Å; A539-V541 PolarHBondContact O-N 3.05Å; A539-D543 WeakPolarHBondContact O-CB 3.05Å; A539-D543 PolarHBondContact O-N 3.32Å
540	E	98	Very high	98.1	Very high	100 Å²	100	37.5 Å²	37.5	47%	0.467	21%	0.205	S	C	.	.	H	α-helix	trans	-63.5	-37	-179	-173.2	-175.7	159.3	0	0	112	P537 V538	P537-E540 HydrophobicContact CB-CB 4.16Å; P537-E540 WeakPolarHBondContact O-CB 3.18Å; P537-E540 PolarHBondContact O-N 2.53Å; V538-E540 VanDerWaalsContact C-N 3.35Å; V538-E540 PolarHBondContact O-N 2.9Å
541	V	98.6	Very high	98.1	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.018	21%	0.205	C	C	.	.	H	α-helix	trans	-80.5	-57	178.5	-172.1	0	0	0	0	110	W499 P537 V538 A539 D543 T544 W545 T590 M607	W499-V541 HydrophobicContact CH2-CB 4.11Å; W499-V541 HydrophobicContact CH2-CG2 3.63Å; W499-V541 HydrophobicContact CZ2-CG2 4.18Å; W499-V541 HydrophobicContact CZ3-CB 4.1Å; W499-V541 HydrophobicContact CZ3-CG1 4.34Å; W499-V541 HydrophobicContact CZ3-CG2 4.15Å; P537-V541 HydrophobicContact CG-CG2 4.44Å; P537-V541 PolarHBondContact O-N 2.75Å; V538-V541 PolarHBondContact O-N 3.44Å; A539-V541 VanDerWaalsContact C-N 3.28Å; A539-V541 PolarHBondContact O-N 3.05Å; V541-D543 PolarHBondContact O-N 2.84Å; V541-T544 WeakPolarHBondContact O-CB 3.43Å; V541-T544 PolarHBondContact O-N 3.45Å; V541-T544 VanDerWaalsContact O-N 3.14Å; V541-T544 PolarHBondContact O-OG1 3.21Å; V541-W545 VanDerWaalsContact O-CD1 3.27Å; V541-T590 HydrophobicContact CB-CG2 4.4Å; V541-T590 HydrophobicContact CG1-CG2 4.07Å; V541-T590 VanDerWaalsContact CG1-O 3.3Å; V541-T590 WeakPolarHBondContact CG1-O 3.3Å; V541-T590 HydrophobicContact CG2-CG2 3.91Å; V541-M607 HydrophobicContact CG1-SD 4.41Å; V541-M607 HydrophobicContact CG2-CE 4.33Å
542	M	98.8	Very high	98.1	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-70.4	-27.6	-170.4	-65.2	-61.6	103.5	0	0	114	V492 M495 L496 W499 W527 V538 T544 W545 T546	V492-M542 HydrophobicContact CG1-SD 3.91Å; M495-M542 HydrophobicContact CE-CE 4.24Å; L496-M542 HydrophobicContact CB-SD 4.01Å; L496-M542 HydrophobicContact CD1-CE 4.22Å; L496-M542 HydrophobicContact CD1-CG 3.88Å; L496-M542 HydrophobicContact CD1-SD 3.78Å; L496-M542 HydrophobicContact CD2-CG 4.08Å; L496-M542 HydrophobicContact CD2-SD 4.04Å; L496-M542 HydrophobicContact CG-SD 4.16Å; W499-M542 HydrophobicContact CE3-CE 4.3Å; W499-M542 HydrophobicContact CZ3-CE 4.37Å; W527-M542 HydrophobicContact CD2-CB 4.16Å; W527-M542 HydrophobicContact CE3-CB 4.31Å; W527-M542 HydrophobicContact CE3-CG 4.41Å; W527-M542 HydrophobicContact CH2-CB 3.64Å; W527-M542 HydrophobicContact CH2-CG 3.92Å; W527-M542 HydrophobicContact CZ2-CB 3.45Å; W527-M542 VanDerWaalsContact CZ2-CB 3.45Å; W527-M542 HydrophobicContact CZ2-CG 4.25Å; W527-M542 HydrophobicContact CZ3-CB 4.06Å; W527-M542 HydrophobicContact CZ3-CG 4Å; V538-M542 HydrophobicContact CG1-CG 3.95Å; V538-M542 VanDerWaalsContact O-CB 3.31Å; V538-M542 WeakPolarHBondContact O-CB 3.33Å; V538-M542 WeakPolarHBondContact O-CG 3.45Å; V538-M542 PolarHBondContact O-N 3.21Å; M542-T544 PolarHBondContact O-N 3.34Å; M542-W545 WeakPolarHBondContact O-CA 3.46Å; M542-W545 WeakPolarHBondContact O-CB 3.4Å; M542-W545 PolarHBondContact O-N 2.95Å; M542-T546 PolarHBondContact O-N 2.81Å; M542-T546 VanDerWaalsContact O-N 3.08Å; M542-T546 PolarHBondContact O-OG1 2.86Å
543	D	98.8	Very high	98.2	Very high	28 Å²	28	30 Å²	30	15%	0.15	17%	0.166	C	C	.	.	H	α-helix	trans	-60.4	-29.6	173.3	-83.7	-5.6	0	0	0	112.1	W527 A539 V541 W545 T546 K547 F585	W527-D543 PolarHBondContact NE1-OD1 3.47Å; A539-D543 WeakPolarHBondContact O-CB 3.05Å; A539-D543 PolarHBondContact O-N 3.32Å; V541-D543 PolarHBondContact O-N 2.84Å; D543-W545 PolarHBondContact O-N 3.04Å; D543-T546 PolarHBondContact O-N 3.27Å; D543-K547 HydrophobicContact CB-CD 4.11Å; D543-K547 VanDerWaalsContact CG-NZ 3.26Å; D543-K547 PolarHBondContact O-N 2.98Å; D543-K547 VanDerWaalsContact O-N 3.07Å; D543-K547 WeakPolarHBondContact OD1-CE 3.4Å; D543-K547 IonicContact OD1-NZ 3.52Å; D543-K547 PolarHBondContact OD1-NZ 2.96Å; D543-K547 IonicContact OD2-NZ 3.5Å; D543-K547 PolarHBondContact OD2-NZ 2.63Å; D543-F585 HydrophobicContact CB-CE2 4.18Å; D543-F585 HydrophobicContact CB-CZ 3.9Å; D543-F585 WeakPolarHBondContact O-CE2 3.12Å
544	T	98.8	Very high	98.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-68.4	-21	175.3	71	0	0	0	0	112.6	V541 M542 Q548 F585 W589 T590 K610	V541-T544 WeakPolarHBondContact O-CB 3.43Å; V541-T544 PolarHBondContact O-N 3.45Å; V541-T544 VanDerWaalsContact O-N 3.14Å; V541-T544 PolarHBondContact O-OG1 3.21Å; M542-T544 PolarHBondContact O-N 3.34Å; T544-Q548 WeakPolarHBondContact O-CG 3.39Å; T544-Q548 PolarHBondContact O-NE2 2.86Å; T544-F585 HydrophobicContact CG2-CD1 4.21Å; T544-F585 HydrophobicContact CG2-CD2 4.42Å; T544-F585 HydrophobicContact CG2-CE1 4.41Å; T544-F585 HydrophobicContact CG2-CG 4.22Å; T544-W589 PolarHBondContact O-NE1 2.99Å; T544-T590 PolarHBondContact OG1-N 2.78Å; T544-K610 HydrophobicContact CG2-CD 3.75Å
545	W	98.9	Very high	98.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-95.6	-23.4	179.4	-63	98.9	0	0	0	113.1	V492 M495 V541 M542 D543 P552 W589 T590 I591 F637	V492-W545 HydrophobicContact CG1-CB 4.04Å; V492-W545 HydrophobicContact CG2-CB 4.13Å; M495-W545 HydrophobicContact CE-CD2 3.57Å; M495-W545 VanDerWaalsContact CE-CE2 3.42Å; M495-W545 HydrophobicContact CE-CE3 4.11Å; M495-W545 HydrophobicContact CE-CG 3.88Å; M495-W545 HydrophobicContact CE-CH2 4.32Å; M495-W545 HydrophobicContact CE-CZ2 3.82Å; M495-W545 HydrophobicContact CE-CZ3 4.47Å; M495-W545 HydrophobicContact SD-CH2 4.34Å; M495-W545 HydrophobicContact SD-CZ2 3.99Å; V541-W545 VanDerWaalsContact O-CD1 3.27Å; M542-W545 WeakPolarHBondContact O-CA 3.46Å; M542-W545 WeakPolarHBondContact O-CB 3.4Å; M542-W545 PolarHBondContact O-N 2.95Å; D543-W545 PolarHBondContact O-N 3.04Å; W545-P552 HydrophobicContact CH2-CG 3.97Å; W545-P552 HydrophobicContact CZ3-CG 4.46Å; W545-W589 AromaticContact CD2-CD1 3.51Å; W545-W589 HydrophobicContact CD2-CG 4.42Å; W545-W589 AromaticContact CE2-CD1 3.77Å; W545-W589 AromaticContact CE3-CD1 3.49Å; W545-W589 VanDerWaalsContact CE3-CD1 3.49Å; W545-W589 HydrophobicContact CE3-CG 4.39Å; W545-W589 AromaticContact CE3-NE1 3.82Å; W545-W589 HydrophobicContact CH2-CB 4.28Å; W545-W589 HydrophobicContact CH2-CG 4.23Å; W545-W589 HydrophobicContact CZ2-CB 3.94Å; W545-W589 HydrophobicContact CZ2-CG 4.24Å; W545-W589 AromaticContact CZ3-CD1 3.76Å; W545-W589 HydrophobicContact CZ3-CG 4.28Å; W545-T590 PolarHBondContact NE1-O 3.26Å; W545-I591 HydrophobicContact CH2-CG1 4.41Å; W545-I591 HydrophobicContact CZ2-CB 4.3Å; W545-I591 HydrophobicContact CZ2-CG1 3.96Å; W545-I591 HydrophobicContact CZ2-CG2 4.16Å; W545-F637 HydrophobicContact CE3-CB 4.46Å; W545-F637 HydrophobicContact CE3-CD1 4.36Å; W545-F637 WeakPolarHBondContact CH2-O 3.48Å; W545-F637 HydrophobicContact CZ3-CB 4.07Å; W545-F637 HydrophobicContact CZ3-CD1 4.14Å; W545-F637 WeakPolarHBondContact CZ3-O 3.23Å
546	T	98.8	Very high	98.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-105.2	-32.3	-174.8	58	0	0	0	0	115.4	W420 I467 I468 W527 M542 D543	W420-T546 HydrophobicContact CZ2-CG2 4.29Å; I467-T546 HydrophobicContact CB-CG2 4.46Å; I467-T546 HydrophobicContact CD1-CG2 4.14Å; I467-T546 HydrophobicContact CG2-CG2 4.46Å; I467-T546 PolarHBondContact N-O 3.37Å; I467-T546 VanDerWaalsContact N-O 3.17Å; I468-T546 PolarHBondContact N-O 2.82Å; W527-T546 HydrophobicContact CH2-CG2 4.45Å; W527-T546 HydrophobicContact CZ2-CG2 3.76Å; M542-T546 PolarHBondContact O-N 2.81Å; M542-T546 VanDerWaalsContact O-N 3.08Å; M542-T546 PolarHBondContact O-OG1 2.86Å; D543-T546 PolarHBondContact O-N 3.27Å
547	K	98.6	Very high	98.1	Very high	90 Å²	90	21.4 Å²	21.4	39%	0.391	12%	0.119	S	C	.	.	S	Bend	trans	-95.4	8.7	-175.4	-61	175.6	177.7	169.7	0	114.5	I468 D543 F585	I468-K547 HydrophobicContact CD1-CG 3.95Å; D543-K547 HydrophobicContact CB-CD 4.11Å; D543-K547 VanDerWaalsContact CG-NZ 3.26Å; D543-K547 PolarHBondContact O-N 2.98Å; D543-K547 VanDerWaalsContact O-N 3.07Å; D543-K547 WeakPolarHBondContact OD1-CE 3.4Å; D543-K547 IonicContact OD1-NZ 3.52Å; D543-K547 PolarHBondContact OD1-NZ 2.96Å; D543-K547 IonicContact OD2-NZ 3.5Å; D543-K547 PolarHBondContact OD2-NZ 2.63Å; K547-F585 HydrophobicContact CB-CE2 4.06Å; K547-F585 HydrophobicContact CD-CE2 4.48Å
548	Q	98.4	Very high	97.7	Very high	4 Å²	4	19.7 Å²	19.7	2%	0.019	11%	0.107	C	C	.	.	S	Bend	trans	-142.4	148.6	171.5	63.4	-178.3	-8.1	0	0	109.8	T544 S583 F585 Y587 K588 W589	T544-Q548 WeakPolarHBondContact O-CG 3.39Å; T544-Q548 PolarHBondContact O-NE2 2.86Å; Q548-S583 WeakPolarHBondContact CB-OG 3.44Å; Q548-S583 PolarHBondContact OE1-OG 3.14Å; Q548-F585 HydrophobicContact CG-CD2 4.47Å; Q548-Y587 VanDerWaalsContact OE1-CA 3.26Å; Q548-Y587 VanDerWaalsContact OE1-N 3.13Å; Q548-K588 PolarHBondContact NE2-O 3.21Å; Q548-K588 VanDerWaalsContact NE2-O 3.09Å; Q548-W589 HydrophobicContact CG-CZ2 4.31Å; Q548-W589 VanDerWaalsContact NE2-CE2 3.29Å
549	M	98.1	Very high	97.2	Very high	14 Å²	14	21.9 Å²	21.9	7%	0.069	12%	0.123	C	C	.	.	S	Bend	trans	-74.5	168.3	173.6	67.8	-177.8	67	0	0	111.8	S464 H465 P581 Y587	S464-M549 WeakPolarHBondContact O-CE 3.28Å; H465-M549 VanDerWaalsContact C-CB 3.43Å; H465-M549 WeakPolarHBondContact O-CB 3.47Å; M549-P581 HydrophobicContact CE-CG 3.32Å; M549-P581 HydrophobicContact SD-CG 3.96Å; M549-Y587 HydrophobicContact CG-CE1 3.76Å; M549-Y587 WeakPolarHBondContact O-CE1 3.44Å
550	G	98.5	Very high	96.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.147	C	C	.	.			trans	74.7	-178.4	176.6	0	0	0	0	0	114.3	D459 K488 W589	D459-G550 VanDerWaalsContact CG-CA 3.47Å; D459-G550 VanDerWaalsContact CG-N 3.34Å; D459-G550 VanDerWaalsContact O-CA 3.3Å; D459-G550 WeakPolarHBondContact O-CA 3.42Å; D459-G550 WeakPolarHBondContact OD1-CA 3.45Å; D459-G550 PolarHBondContact OD1-N 3.21Å; D459-G550 WeakPolarHBondContact OD2-CA 3.37Å; D459-G550 PolarHBondContact OD2-N 2.99Å; K488-G550 PolarHBondContact NZ-O 3.11Å; G550-W589 WeakPolarHBondContact O-CZ2 3.29Å
551	Y	98.9	Very high	96	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.151	C	C	.	.			trans	-149.3	164.6	180	59.7	-92	0	0	0	110.7	M456 D459 A460 F570 F637 R639	M456-Y551 HydrophobicContact CB-CE1 3.86Å; M456-Y551 WeakPolarHBondContact CB-OH 3.33Å; M456-Y551 HydrophobicContact CG-CD1 4.38Å; M456-Y551 HydrophobicContact CG-CE1 3.92Å; M456-Y551 HydrophobicContact CG-CE2 4.4Å; M456-Y551 WeakPolarHBondContact O-CE1 3.47Å; M456-Y551 PolarHBondContact O-OH 3.27Å; M456-Y551 HydrophobicContact SD-CE2 4.37Å; D459-Y551 HydrophobicContact CB-CD1 4.1Å; D459-Y551 HydrophobicContact CB-CE1 4.17Å; A460-Y551 HydrophobicContact CB-CE1 4.14Å; Y551-F570 HydrophobicContact CD2-CB 4.07Å; Y551-F570 HydrophobicContact CE1-CD1 4.45Å; Y551-F570 HydrophobicContact CE2-CB 3.68Å; Y551-F570 AromaticContact CE2-CD1 3.55Å; Y551-F570 HydrophobicContact CE2-CD1 3.55Å; Y551-F570 HydrophobicContact CE2-CE1 4.41Å; Y551-F570 AromaticContact CE2-CG 3.81Å; Y551-F570 HydrophobicContact CE2-CG 3.81Å; Y551-F570 AromaticContact CZ-CD1 3.46Å; Y551-F570 VanDerWaalsContact CZ-CD1 3.46Å; Y551-F570 PolarHBondContact O-N 2.93Å; Y551-F570 WeakPolarHBondContact OH-CD1 3.17Å; Y551-F570 VanDerWaalsContact OH-CE1 3.26Å; Y551-F570 WeakPolarHBondContact OH-CE1 3.46Å; Y551-F637 AromaticContact CD1-CE1 3.71Å; Y551-F637 HydrophobicContact CD1-CE1 3.71Å; Y551-F637 HydrophobicContact CD1-CZ 4.14Å; Y551-F637 HydrophobicContact CG-CD1 4.29Å; Y551-F637 AromaticContact CG-CE1 3.93Å; Y551-F637 HydrophobicContact CG-CE1 3.93Å; Y551-R639 HydrophobicContact CD2-CG 4.49Å; Y551-R639 HydrophobicContact CE2-CG 3.75Å; Y551-R639 PolarHBondContact OH-NE 2.79Å
552	P	98.7	Very high	95.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	151.8	-179.8	30.5	-27.6	0	0	0	113.4	W545 Q567 K568 W589 I591 Y638 R639	W545-P552 HydrophobicContact CH2-CG 3.97Å; W545-P552 HydrophobicContact CZ3-CG 4.46Å; P552-Q567 HydrophobicContact CB-CB 4.33Å; P552-K568 CarbonylContact C-O 3.5Å; P552-K568 WeakPolarHBondContact CA-O 3.38Å; P552-W589 HydrophobicContact CB-CD2 4.37Å; P552-W589 HydrophobicContact CB-CE3 3.68Å; P552-W589 HydrophobicContact CB-CZ3 4Å; P552-W589 HydrophobicContact CG-CB 4.3Å; P552-W589 HydrophobicContact CG-CD2 4.01Å; P552-W589 HydrophobicContact CG-CE3 3.83Å; P552-W589 HydrophobicContact CG-CG 4.21Å; P552-W589 HydrophobicContact CG-CZ3 4.48Å; P552-I591 HydrophobicContact CB-CD1 4.2Å; P552-I591 HydrophobicContact CG-CD1 3.6Å; P552-I591 HydrophobicContact CG-CG1 4.3Å; P552-Y638 WeakPolarHBondContact O-CA 3.25Å; P552-Y638 WeakPolarHBondContact O-CB 3.42Å; P552-R639 PolarHBondContact O-N 3.31Å; P552-R639 VanDerWaalsContact O-N 3.11Å
553	V	98.8	Very high	95.3	Very high	5 Å²	5	30.4 Å²	30.4	3%	0.03	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	135.6	150.9	57	0	0	0	0	108.5	Q567 K568 F570 R639 N641 L676	V553-Q567 WeakPolarHBondContact O-CA 3.46Å; V553-K568 HydrophobicContact CG1-CB 4.28Å; V553-K568 PolarHBondContact N-O 3.28Å; V553-K568 PolarHBondContact O-N 2.67Å; V553-F570 HydrophobicContact CB-CB 4.1Å; V553-F570 HydrophobicContact CB-CD2 4.04Å; V553-F570 HydrophobicContact CG1-CB 4.26Å; V553-F570 HydrophobicContact CG1-CD2 4.32Å; V553-R639 CarbonylContact C-O 3.31Å; V553-R639 WeakPolarHBondContact CA-O 3.3Å; V553-R639 HydrophobicContact CB-CB 4.43Å; V553-R639 HydrophobicContact CG2-CB 4.32Å; V553-N641 HydrophobicContact CG2-CB 3.72Å; V553-L676 HydrophobicContact CG2-CD2 3.82Å
554	V	98.6	Very high	95.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	108.8	176.3	178.2	0	0	0	0	108.6	L565 T566 I591 Y638 R639 N641	V554-L565 HydrophobicContact CG1-CB 3.97Å; V554-L565 HydrophobicContact CG1-CD1 4.36Å; V554-L565 HydrophobicContact CG1-CD2 4.33Å; V554-L565 HydrophobicContact CG1-CG 4.46Å; V554-T566 CarbonylContact C-O 3.49Å; V554-T566 VanDerWaalsContact CA-O 3.29Å; V554-T566 WeakPolarHBondContact CA-O 3.23Å; V554-I591 HydrophobicContact CG2-CD1 4.05Å; V554-Y638 HydrophobicContact CB-CD2 4.16Å; V554-Y638 HydrophobicContact CB-CE2 4.39Å; V554-Y638 HydrophobicContact CG2-CD2 3.52Å; V554-Y638 HydrophobicContact CG2-CE2 3.92Å; V554-Y638 HydrophobicContact CG2-CG 4.23Å; V554-R639 PolarHBondContact N-O 3.41Å; V554-N641 PolarHBondContact O-N 3.01Å
555	D	97.9	Very high	95	Very high	23 Å²	23	32.3 Å²	32.3	12%	0.123	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	129.7	174.9	-68.2	-49.6	0	0	0	109.8	L565 T566 K568 N641	D555-L565 WeakPolarHBondContact O-CA 3.47Å; D555-T566 PolarHBondContact N-O 2.82Å; D555-T566 PolarHBondContact O-N 3.42Å; D555-K568 IonicContact OD2-NZ 3.84Å; D555-K568 PolarHBondContact OD2-NZ 2.83Å; D555-N641 WeakPolarHBondContact OD1-CB 3.43Å; D555-N641 PolarHBondContact OD1-ND2 2.87Å
556	V	95.4	Very high	95	Very high	5 Å²	5	34 Å²	34	3%	0.03	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	116.8	-177.4	-170.5	0	0	0	0	110.1	V558 L565 I630 V640 N641	V556-V558 HydrophobicContact CG1-CG2 4.16Å; V556-L565 HydrophobicContact CB-CD2 4.2Å; V556-L565 HydrophobicContact CG1-CD2 3.89Å; V556-L565 HydrophobicContact CG2-CD2 3.92Å; V556-I630 HydrophobicContact CB-CD1 4.23Å; V556-I630 HydrophobicContact CG1-CD1 3.7Å; V556-I630 HydrophobicContact CG2-CD1 3.42Å; V556-I630 VanDerWaalsContact CG2-CD1 3.42Å; V556-V640 HydrophobicContact CG2-CG1 3.49Å; V556-V640 VanDerWaalsContact CG2-CG1 3.49Å; V556-N641 PolarHBondContact N-O 3.44Å
557	T	93.1	Very high	95	Very high	68 Å²	68	35.4 Å²	35.4	42%	0.417	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	127.4	172.1	-58.6	0	0	0	0	109.4	A563 K564	T557-A563 CarbonylContact O-C 3.59Å; T557-A563 WeakPolarHBondContact O-CA 3.37Å; T557-K564 PolarHBondContact N-O 3.23Å; T557-K564 PolarHBondContact O-N 2.87Å
558	V	89.9	Confident	94.9	Very high	32 Å²	32	36.8 Å²	36.8	19%	0.194	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	129.5	-176.7	171.9	0	0	0	0	110.1	V556 A563 Y620 P622 M646	V556-V558 HydrophobicContact CG1-CG2 4.16Å; V558-A563 HydrophobicContact CG2-CB 4.26Å; V558-Y620 HydrophobicContact CG1-CE1 3.86Å; V558-Y620 HydrophobicContact CG2-CE1 4.39Å; V558-P622 HydrophobicContact CG1-CG 3.3Å; V558-M646 HydrophobicContact CG2-CE 4.27Å
559	S	87.7	Confident	94.9	Very high	47 Å²	47	37.6 Å²	37.6	33%	0.329	20%	0.199	S	C	.	.			trans	-109.6	179.8	171.6	79.5	0	0	0	0	111.2	S561 N562 P622	S559-S561 PolarHBondContact O-N 2.76Å; S559-S561 PolarHBondContact OG-N 3.41Å; S559-N562 PolarHBondContact N-O 3.45Å; S559-N562 PolarHBondContact OG-N 3.18Å; S559-N562 VanDerWaalsContact OG-N 3.15Å; S559-N562 PolarHBondContact OG-O 3.46Å; S559-N562 VanDerWaalsContact OG-O 3.12Å; S559-N562 PolarHBondContact OG-OD1 2.76Å; S559-P622 WeakPolarHBondContact O-CD 3.19Å
560	E	85.3	Confident	95	Very high	182 Å²	182	37 Å²	37	85%	0.85	20%	0.196	S	C	*	.	S	Bend	trans	-61.3	-24.9	178.3	-66.9	-172.7	169.8	0	0	113.5	S621	E560-S621 WeakPolarHBondContact O-CB 3.27Å
561	S	86.5	Confident	94.9	Very high	79 Å²	79	37.9 Å²	37.9	55%	0.552	20%	0.2	S	C	*	.	S	Bend	trans	-137.3	6.5	-170.5	69.9	0	0	0	0	115.4	S559 Y620	S559-S561 PolarHBondContact O-N 2.76Å; S559-S561 PolarHBondContact OG-N 3.41Å; S561-Y620 CarbonylContact C-O 3.56Å
562	N	89.6	Confident	94.8	Very high	61 Å²	61	38.3 Å²	38.3	33%	0.326	20%	0.203	S	C	.	.			trans	-161.6	169	172.7	55	56.3	0	0	0	111.3	S559 I617 Y620	S559-N562 PolarHBondContact N-O 3.45Å; S559-N562 PolarHBondContact OG-N 3.18Å; S559-N562 VanDerWaalsContact OG-N 3.15Å; S559-N562 PolarHBondContact OG-O 3.46Å; S559-N562 VanDerWaalsContact OG-O 3.12Å; S559-N562 PolarHBondContact OG-OD1 2.76Å; N562-I617 WeakPolarHBondContact CB-O 3.39Å; N562-Y620 VanDerWaalsContact CA-O 3.29Å; N562-Y620 WeakPolarHBondContact CA-O 3.37Å; N562-Y620 PolarHBondContact N-O 2.94Å
563	A	92.3	Very high	94.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	149.5	163.9	0	0	0	0	0	110.2	T557 V558 I617 Y620 L628	T557-A563 CarbonylContact O-C 3.59Å; T557-A563 WeakPolarHBondContact O-CA 3.37Å; V558-A563 HydrophobicContact CG2-CB 4.26Å; A563-I617 HydrophobicContact CB-CB 4.28Å; A563-I617 PolarHBondContact N-O 3.26Å; A563-I617 PolarHBondContact O-N 3.48Å; A563-Y620 HydrophobicContact CB-CD1 3.8Å; A563-Y620 HydrophobicContact CB-CE1 4.06Å; A563-L628 HydrophobicContact CB-CD2 3.6Å
564	K	95.1	Very high	94.3	Very high	69 Å²	69	42.4 Å²	42.4	30%	0.3	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.6	-179.7	174	174.7	167.9	161.1	0	109.8	T557 E614	T557-K564 PolarHBondContact N-O 3.23Å; T557-K564 PolarHBondContact O-N 2.87Å; K564-E614 HydrophobicContact CD-CB 4.4Å; K564-E614 WeakPolarHBondContact CE-OE1 3.46Å; K564-E614 WeakPolarHBondContact CE-OE2 3.48Å; K564-E614 HydrophobicContact CG-CB 4.18Å; K564-E614 IonicContact NZ-OE1 3.17Å; K564-E614 PolarHBondContact NZ-OE1 3.43Å; K564-E614 IonicContact NZ-OE2 3.1Å; K564-E614 PolarHBondContact NZ-OE2 2.64Å
565	L	97.3	Very high	94	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	135.2	178.9	-49.4	-174.2	0	0	0	110.1	V554 D555 V556 V593 F608 E614 L615 I617 I630	V554-L565 HydrophobicContact CG1-CB 3.97Å; V554-L565 HydrophobicContact CG1-CD1 4.36Å; V554-L565 HydrophobicContact CG1-CD2 4.33Å; V554-L565 HydrophobicContact CG1-CG 4.46Å; D555-L565 WeakPolarHBondContact O-CA 3.47Å; V556-L565 HydrophobicContact CB-CD2 4.2Å; V556-L565 HydrophobicContact CG1-CD2 3.89Å; V556-L565 HydrophobicContact CG2-CD2 3.92Å; L565-V593 HydrophobicContact CD1-CG1 3.79Å; L565-F608 HydrophobicContact CB-CE1 4.36Å; L565-E614 CarbonylContact O-C 3.59Å; L565-E614 VanDerWaalsContact O-CA 3.24Å; L565-E614 WeakPolarHBondContact O-CA 3.49Å; L565-L615 HydrophobicContact CB-CB 4.27Å; L565-L615 HydrophobicContact CD1-CD2 3.98Å; L565-L615 PolarHBondContact N-O 2.84Å; L565-L615 PolarHBondContact O-N 3.27Å; L565-I617 HydrophobicContact CD1-CD1 4Å; L565-I617 HydrophobicContact CD2-CD1 4.44Å; L565-I617 HydrophobicContact CG-CD1 4.27Å; L565-I630 HydrophobicContact CD1-CD1 4.43Å; L565-I630 HydrophobicContact CD2-CD1 3.52Å
566	T	98.3	Very high	93.9	Very high	36 Å²	36	47.7 Å²	47.7	22%	0.221	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	153.4	168.8	64.8	0	0	0	0	109.8	V554 D555 E614	V554-T566 CarbonylContact C-O 3.49Å; V554-T566 VanDerWaalsContact CA-O 3.29Å; V554-T566 WeakPolarHBondContact CA-O 3.23Å; D555-T566 PolarHBondContact N-O 2.82Å; D555-T566 PolarHBondContact O-N 3.42Å; T566-E614 HydrophobicContact CG2-CB 4.09Å
567	Q	98	Very high	93.9	Very high	28 Å²	28	51.1 Å²	51.1	13%	0.131	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	144.3	-178.7	62.7	172.5	-81.3	0	0	111.5	P552 V553 W589 I591 F608	P552-Q567 HydrophobicContact CB-CB 4.33Å; V553-Q567 WeakPolarHBondContact O-CA 3.46Å; Q567-W589 PolarHBondContact NE2-O 3.08Å; Q567-W589 PolarHBondContact OE1-O 3.43Å; Q567-I591 HydrophobicContact CB-CD1 4.24Å; Q567-F608 HydrophobicContact CB-CD1 4.45Å; Q567-F608 HydrophobicContact CB-CE1 3.76Å; Q567-F608 HydrophobicContact CB-CZ 4.23Å; Q567-F608 HydrophobicContact CG-CE1 3.86Å; Q567-F608 HydrophobicContact CG-CZ 3.86Å
568	K	97.3	Very high	94.1	Very high	120 Å²	120	51.4 Å²	51.4	52%	0.522	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	153.6	170.4	-61.7	177.4	-168.8	130.2	0	109	P552 V553 D555 F570	P552-K568 CarbonylContact C-O 3.5Å; P552-K568 WeakPolarHBondContact CA-O 3.38Å; V553-K568 HydrophobicContact CG1-CB 4.28Å; V553-K568 PolarHBondContact N-O 3.28Å; V553-K568 PolarHBondContact O-N 2.67Å; D555-K568 IonicContact OD2-NZ 3.84Å; D555-K568 PolarHBondContact OD2-NZ 2.83Å; K568-F570 PolarHBondContact O-N 3.34Å
569	R	98.4	Very high	94.4	Very high	21 Å²	21	52.8 Å²	52.8	8%	0.079	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	129.9	169	-176	-178.5	-178.5	-174	-1.9	109.6	L571 P578 K580 Y587 W589	R569-L571 HydrophobicContact CG-CG 4.22Å; R569-P578 WeakPolarHBondContact CD-O 3.3Å; R569-P578 PolarHBondContact NH1-O 2.86Å; R569-P578 VanDerWaalsContact NH1-O 3.16Å; R569-K580 PolarHBondContact NH1-O 2.67Å; R569-Y587 HydrophobicContact CG-CD1 4.44Å; R569-Y587 VanDerWaalsContact CZ-CE1 3.5Å; R569-Y587 VanDerWaalsContact NH1-CE2 3.33Å; R569-Y587 PolarHBondContact NH1-OH 3.01Å; R569-W589 HydrophobicContact CB-CH2 4.18Å; R569-W589 HydrophobicContact CB-CZ3 4.25Å; R569-W589 HydrophobicContact CG-CH2 4.09Å
570	F	98.7	Very high	94.8	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.009	29%	0.292	C	S	.	.			trans	-84.3	129.3	171	-177.9	-94.7	0	0	0	109.6	A460 Y551 V553 K568 L572 A675 L676 A679 I681	A460-F570 HydrophobicContact CB-CD1 3.65Å; A460-F570 HydrophobicContact CB-CE1 3.68Å; Y551-F570 HydrophobicContact CD2-CB 4.07Å; Y551-F570 HydrophobicContact CE1-CD1 4.45Å; Y551-F570 HydrophobicContact CE2-CB 3.68Å; Y551-F570 AromaticContact CE2-CD1 3.55Å; Y551-F570 HydrophobicContact CE2-CD1 3.55Å; Y551-F570 HydrophobicContact CE2-CE1 4.41Å; Y551-F570 AromaticContact CE2-CG 3.81Å; Y551-F570 HydrophobicContact CE2-CG 3.81Å; Y551-F570 AromaticContact CZ-CD1 3.46Å; Y551-F570 VanDerWaalsContact CZ-CD1 3.46Å; Y551-F570 PolarHBondContact O-N 2.93Å; Y551-F570 WeakPolarHBondContact OH-CD1 3.17Å; Y551-F570 VanDerWaalsContact OH-CE1 3.26Å; Y551-F570 WeakPolarHBondContact OH-CE1 3.46Å; V553-F570 HydrophobicContact CB-CB 4.1Å; V553-F570 HydrophobicContact CB-CD2 4.04Å; V553-F570 HydrophobicContact CG1-CB 4.26Å; V553-F570 HydrophobicContact CG1-CD2 4.32Å; K568-F570 PolarHBondContact O-N 3.34Å; F570-L572 HydrophobicContact CE1-CD2 4.33Å; F570-L572 HydrophobicContact CE1-CG 4.5Å; F570-L572 HydrophobicContact CZ-CD2 4.42Å; F570-A675 HydrophobicContact CZ-CB 4.05Å; F570-L676 HydrophobicContact CD2-CD2 4.41Å; F570-L676 HydrophobicContact CE2-CD2 4.03Å; F570-A679 HydrophobicContact CE2-CB 3.78Å; F570-A679 HydrophobicContact CZ-CB 3.82Å; F570-I681 HydrophobicContact CD2-CD1 4.02Å; F570-I681 HydrophobicContact CE2-CD1 3.96Å
571	L	98.4	Very high	95.3	Very high	17 Å²	17	48.8 Å²	48.8	9%	0.089	27%	0.27	C	S	.	.			trans	-135	140.8	176.4	-74.8	174.5	0	0	0	108.9	A460 R569 A576 P578 A679	A460-L571 WeakPolarHBondContact O-CA 3.33Å; A460-L571 WeakPolarHBondContact O-CD2 3.29Å; R569-L571 HydrophobicContact CG-CG 4.22Å; L571-A576 HydrophobicContact CD1-CB 4Å; L571-P578 HydrophobicContact CD1-CB 4.21Å; L571-A679 WeakPolarHBondContact O-CB 3.32Å
572	L	96.8	Very high	95.8	Very high	10 Å²	10	51.4 Å²	51.4	5%	0.052	28%	0.278	C	S	.	.	S	Bend	trans	-73.3	-30.9	174.1	-78.4	173	0	0	0	112.5	V457 A460 L461 F570 P574 R678	V457-L572 HydrophobicContact CG1-CD1 4.28Å; A460-L572 HydrophobicContact CB-CD1 4.09Å; A460-L572 HydrophobicContact CB-CG 3.73Å; A460-L572 PolarHBondContact O-N 2.78Å; L461-L572 HydrophobicContact CD2-CD1 4.01Å; F570-L572 HydrophobicContact CE1-CD2 4.33Å; F570-L572 HydrophobicContact CE1-CG 4.5Å; F570-L572 HydrophobicContact CZ-CD2 4.42Å; L572-P574 VanDerWaalsContact O-CD 3.28Å; L572-P574 WeakPolarHBondContact O-CD 3.48Å; L572-R678 HydrophobicContact CD2-CB 4.22Å; L572-R678 HydrophobicContact CD2-CG 3.87Å
573	D	95.2	Very high	96.2	Very high	30 Å²	30	49.5 Å²	49.5	16%	0.16	27%	0.269	C	S	.	.			trans	-89	108.7	174.3	-179.2	-1	0	0	0	109.9	L575 A576	D573-L575 PolarHBondContact O-N 3.04Å; D573-L575 WeakPolarHBondContact OD1-CA 3.46Å; D573-L575 WeakPolarHBondContact OD1-CB 3.45Å; D573-L575 PolarHBondContact OD1-N 2.78Å; D573-A576 HydrophobicContact CB-CB 3.86Å; D573-A576 WeakPolarHBondContact O-CB 3.26Å; D573-A576 PolarHBondContact O-N 3.41Å; D573-A576 PolarHBondContact OD1-N 3.05Å
574	P	90.7	Very high	96.4	Very high	61 Å²	61	54 Å²	54	40%	0.396	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-11.8	177.6	30.6	-35.7	0	0	0	113.4	L572 D680	L572-P574 VanDerWaalsContact O-CD 3.28Å; L572-P574 WeakPolarHBondContact O-CD 3.48Å; P574-D680 HydrophobicContact CG-CB 4.26Å
575	L	92.9	Very high	96.5	Very high	116 Å²	116	52.7 Å²	52.7	61%	0.607	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-11	176.3	-56	-171.1	0	0	0	113	D573 E950	D573-L575 PolarHBondContact O-N 3.04Å; D573-L575 WeakPolarHBondContact OD1-CA 3.46Å; D573-L575 WeakPolarHBondContact OD1-CB 3.45Å; D573-L575 PolarHBondContact OD1-N 2.78Å; L575-E950 VanDerWaalsContact CD1-OE1 3.26Å; L575-E950 WeakPolarHBondContact CD1-OE1 3.43Å; L575-E950 VanDerWaalsContact CD1-OE2 3.29Å; L575-E950 WeakPolarHBondContact CD1-OE2 3.39Å
576	A	95.3	Very high	96.5	Very high	17 Å²	17	60.1 Å²	60.1	14%	0.14	33%	0.327	C	S	.	.	S	Bend	trans	-64.9	146.1	176.7	0	0	0	0	0	111.9	I462 L571 D573 P578	I462-A576 HydrophobicContact CD1-CB 4.34Å; L571-A576 HydrophobicContact CD1-CB 4Å; D573-A576 HydrophobicContact CB-CB 3.86Å; D573-A576 WeakPolarHBondContact O-CB 3.26Å; D573-A576 PolarHBondContact O-N 3.41Å; D573-A576 PolarHBondContact OD1-N 3.05Å; A576-P578 VanDerWaalsContact O-CD 3.23Å; A576-P578 WeakPolarHBondContact O-CD 3.3Å
577	D	95.9	Very high	96.5	Very high	77 Å²	77	59 Å²	59	41%	0.412	32%	0.319	S	S	.	.			trans	-74.5	111.4	172.1	-179.6	-10.7	0	0	0	109.4	S579 K580	D577-S579 VanDerWaalsContact CG-OG 3.27Å; D577-S579 PolarHBondContact O-N 2.96Å; D577-S579 VanDerWaalsContact O-N 3.07Å; D577-S579 WeakPolarHBondContact OD1-CB 3.31Å; D577-S579 PolarHBondContact OD1-N 2.94Å; D577-S579 PolarHBondContact OD1-OG 3.36Å; D577-S579 PolarHBondContact OD2-OG 3.14Å; D577-K580 HydrophobicContact CB-CB 4.28Å; D577-K580 HydrophobicContact CB-CG 3.89Å; D577-K580 PolarHBondContact O-N 3.39Å; D577-K580 WeakPolarHBondContact OD2-CG 3.08Å
578	P	96	Very high	96.5	Very high	74 Å²	74	62.2 Å²	62.2	48%	0.481	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-15.8	-175.3	28.7	-35.9	0	0	0	113.1	R569 L571 A576 K580 Y587	R569-P578 WeakPolarHBondContact CD-O 3.3Å; R569-P578 PolarHBondContact NH1-O 2.86Å; R569-P578 VanDerWaalsContact NH1-O 3.16Å; L571-P578 HydrophobicContact CD1-CB 4.21Å; A576-P578 VanDerWaalsContact O-CD 3.23Å; A576-P578 WeakPolarHBondContact O-CD 3.3Å; P578-K580 VanDerWaalsContact C-N 3.32Å; P578-Y587 WeakPolarHBondContact O-CD2 3.5Å; P578-Y587 WeakPolarHBondContact O-CE2 3.39Å
579	S	96.3	Very high	96.6	Very high	61 Å²	61	56.5 Å²	56.5	43%	0.427	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-1.3	177.6	77	0	0	0	0	114.1	D577 P581	D577-S579 VanDerWaalsContact CG-OG 3.27Å; D577-S579 PolarHBondContact O-N 2.96Å; D577-S579 VanDerWaalsContact O-N 3.07Å; D577-S579 WeakPolarHBondContact OD1-CB 3.31Å; D577-S579 PolarHBondContact OD1-N 2.94Å; D577-S579 PolarHBondContact OD1-OG 3.36Å; D577-S579 PolarHBondContact OD2-OG 3.14Å; S579-P581 CarbonylContact O-C 3.57Å
580	K	96.3	Very high	96.6	Very high	88 Å²	88	55.6 Å²	55.6	38%	0.383	30%	0.304	S	S	.	.			trans	-111.8	146	-175.1	-65.3	-65.4	172.7	-165.5	0	114.1	I462 R569 D577 P578 N582 Y587	I462-K580 HydrophobicContact CD1-CB 4.16Å; R569-K580 PolarHBondContact NH1-O 2.67Å; D577-K580 HydrophobicContact CB-CB 4.28Å; D577-K580 HydrophobicContact CB-CG 3.89Å; D577-K580 PolarHBondContact O-N 3.39Å; D577-K580 WeakPolarHBondContact OD2-CG 3.08Å; P578-K580 VanDerWaalsContact C-N 3.32Å; K580-N582 PolarHBondContact NZ-OD1 3.19Å; K580-Y587 PolarHBondContact O-OH 3.49Å
581	P	96.1	Very high	96.6	Very high	58 Å²	58	55.5 Å²	55.5	38%	0.377	30%	0.304	S	S	.	.	S	Bend	cis	-61.1	171.6	-15.9	28.3	-37	0	0	0	112.7	M549 S579 S583 Y587	M549-P581 HydrophobicContact CE-CG 3.32Å; M549-P581 HydrophobicContact SD-CG 3.96Å; S579-P581 CarbonylContact O-C 3.57Å; P581-S583 PolarHBondContact O-N 3.43Å; P581-Y587 WeakPolarHBondContact CD-OH 3.49Å; P581-Y587 WeakPolarHBondContact O-CE2 3.31Å; P581-Y587 PolarHBondContact O-OH 3.23Å
582	N	96.8	Very high	96.5	Very high	134 Å²	134	55.1 Å²	55.1	72%	0.717	30%	0.303	S	S	*	.			trans	-62.9	127	-178.6	-67.3	-11.9	0	0	0	110.3	K580	K580-N582 PolarHBondContact NZ-OD1 3.19Å
583	S	97.3	Very high	96.5	Very high	20 Å²	20	54.7 Å²	54.7	14%	0.14	30%	0.3	C	S	.	.			trans	-108.7	143.1	177.4	160.3	0	0	0	0	111.9	Q548 P581 F585 Q586	Q548-S583 WeakPolarHBondContact CB-OG 3.44Å; Q548-S583 PolarHBondContact OE1-OG 3.14Å; P581-S583 PolarHBondContact O-N 3.43Å; S583-F585 PolarHBondContact O-N 2.79Å; S583-F585 PolarHBondContact OG-N 3.23Å; S583-Q586 PolarHBondContact O-N 3.02Å; S583-Q586 PolarHBondContact OG-N 2.8Å
584	P	96.8	Very high	96.5	Very high	94 Å²	94	55.5 Å²	55.5	61%	0.61	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-20.8	173	26.7	-35.1	0	0	0	113.7
585	F	97.8	Very high	96.6	Very high	43 Å²	43	52.9 Å²	52.9	19%	0.189	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	9.4	179.4	-56.2	-67.2	0	0	0	113.6	D543 T544 K547 Q548 S583 Y587 K588 K610	D543-F585 HydrophobicContact CB-CE2 4.18Å; D543-F585 HydrophobicContact CB-CZ 3.9Å; D543-F585 WeakPolarHBondContact O-CE2 3.12Å; T544-F585 HydrophobicContact CG2-CD1 4.21Å; T544-F585 HydrophobicContact CG2-CD2 4.42Å; T544-F585 HydrophobicContact CG2-CE1 4.41Å; T544-F585 HydrophobicContact CG2-CG 4.22Å; K547-F585 HydrophobicContact CB-CE2 4.06Å; K547-F585 HydrophobicContact CD-CE2 4.48Å; Q548-F585 HydrophobicContact CG-CD2 4.47Å; S583-F585 PolarHBondContact O-N 2.79Å; S583-F585 PolarHBondContact OG-N 3.23Å; F585-Y587 PolarHBondContact O-N 3.47Å; F585-Y587 VanDerWaalsContact O-N 3.12Å; F585-K588 PolarHBondContact O-N 3.49Å; F585-K610 HydrophobicContact CD1-CD 4.38Å
586	Q	97.4	Very high	96.5	Very high	155 Å²	155	49.9 Å²	49.9	72%	0.724	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	34.1	178.7	-55.4	173.9	25.3	0	0	112.9	S583 K588	S583-Q586 PolarHBondContact O-N 3.02Å; S583-Q586 PolarHBondContact OG-N 2.8Å; Q586-K588 VanDerWaalsContact C-N 3.3Å; Q586-K588 PolarHBondContact O-N 3.08Å
587	Y	98.3	Very high	96.2	Very high	14 Å²	14	49.1 Å²	49.1	6%	0.055	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	47.4	-176.7	-58.8	-75.8	0	0	0	113.1	Q548 M549 R569 P578 K580 P581 F585 W589	Q548-Y587 VanDerWaalsContact OE1-CA 3.26Å; Q548-Y587 VanDerWaalsContact OE1-N 3.13Å; M549-Y587 HydrophobicContact CG-CE1 3.76Å; M549-Y587 WeakPolarHBondContact O-CE1 3.44Å; R569-Y587 HydrophobicContact CG-CD1 4.44Å; R569-Y587 VanDerWaalsContact CZ-CE1 3.5Å; R569-Y587 VanDerWaalsContact NH1-CE2 3.33Å; R569-Y587 PolarHBondContact NH1-OH 3.01Å; P578-Y587 WeakPolarHBondContact O-CD2 3.5Å; P578-Y587 WeakPolarHBondContact O-CE2 3.39Å; K580-Y587 PolarHBondContact O-OH 3.49Å; P581-Y587 WeakPolarHBondContact CD-OH 3.49Å; P581-Y587 WeakPolarHBondContact O-CE2 3.31Å; P581-Y587 PolarHBondContact O-OH 3.23Å; F585-Y587 PolarHBondContact O-N 3.47Å; F585-Y587 VanDerWaalsContact O-N 3.12Å; Y587-W589 AromaticContact CD1-CH2 3.97Å; Y587-W589 HydrophobicContact CD1-CH2 3.97Å; Y587-W589 HydrophobicContact CD1-CZ2 4.29Å; Y587-W589 HydrophobicContact CG-CH2 4.4Å; Y587-W589 WeakPolarHBondContact O-CZ3 3.22Å
588	K	98.3	Very high	95.8	Very high	94 Å²	94	46.8 Å²	46.8	41%	0.409	25%	0.247	S	C	.	.			trans	-120.4	142.6	165.8	-60.1	-172.1	-178.2	-178.4	0	109.5	Q548 F585 Q586 K610	Q548-K588 PolarHBondContact NE2-O 3.21Å; Q548-K588 VanDerWaalsContact NE2-O 3.09Å; F585-K588 PolarHBondContact O-N 3.49Å; Q586-K588 VanDerWaalsContact C-N 3.3Å; Q586-K588 PolarHBondContact O-N 3.08Å; K588-K610 HydrophobicContact CB-CB 3.91Å; K588-K610 VanDerWaalsContact CD-O 3.27Å; K588-K610 WeakPolarHBondContact CD-O 3.41Å
589	W	98.7	Very high	95.4	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.254	C	S	.	.			trans	-119.6	148.9	-176.7	-67.2	-98	0	0	0	110.7	T544 W545 Q548 G550 P552 Q567 R569 Y587 I591 K610	T544-W589 PolarHBondContact O-NE1 2.99Å; W545-W589 AromaticContact CD2-CD1 3.51Å; W545-W589 HydrophobicContact CD2-CG 4.42Å; W545-W589 AromaticContact CE2-CD1 3.77Å; W545-W589 AromaticContact CE3-CD1 3.49Å; W545-W589 VanDerWaalsContact CE3-CD1 3.49Å; W545-W589 HydrophobicContact CE3-CG 4.39Å; W545-W589 AromaticContact CE3-NE1 3.82Å; W545-W589 HydrophobicContact CH2-CB 4.28Å; W545-W589 HydrophobicContact CH2-CG 4.23Å; W545-W589 HydrophobicContact CZ2-CB 3.94Å; W545-W589 HydrophobicContact CZ2-CG 4.24Å; W545-W589 AromaticContact CZ3-CD1 3.76Å; W545-W589 HydrophobicContact CZ3-CG 4.28Å; Q548-W589 HydrophobicContact CG-CZ2 4.31Å; Q548-W589 VanDerWaalsContact NE2-CE2 3.29Å; G550-W589 WeakPolarHBondContact O-CZ2 3.29Å; P552-W589 HydrophobicContact CB-CD2 4.37Å; P552-W589 HydrophobicContact CB-CE3 3.68Å; P552-W589 HydrophobicContact CB-CZ3 4Å; P552-W589 HydrophobicContact CG-CB 4.3Å; P552-W589 HydrophobicContact CG-CD2 4.01Å; P552-W589 HydrophobicContact CG-CE3 3.83Å; P552-W589 HydrophobicContact CG-CG 4.21Å; P552-W589 HydrophobicContact CG-CZ3 4.48Å; Q567-W589 PolarHBondContact NE2-O 3.08Å; Q567-W589 PolarHBondContact OE1-O 3.43Å; R569-W589 HydrophobicContact CB-CH2 4.18Å; R569-W589 HydrophobicContact CB-CZ3 4.25Å; R569-W589 HydrophobicContact CG-CH2 4.09Å; Y587-W589 AromaticContact CD1-CH2 3.97Å; Y587-W589 HydrophobicContact CD1-CH2 3.97Å; Y587-W589 HydrophobicContact CD1-CZ2 4.29Å; Y587-W589 HydrophobicContact CG-CH2 4.4Å; Y587-W589 WeakPolarHBondContact O-CZ3 3.22Å; W589-I591 HydrophobicContact CB-CD1 4.38Å; W589-I591 HydrophobicContact CB-CG1 3.77Å; W589-K610 WeakPolarHBondContact O-CA 3.47Å; W589-K610 PolarHBondContact O-N 3.44Å
590	T	98.6	Very high	95	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.018	25%	0.247	C	C	.	.			trans	-91.8	111.8	162.5	-61.9	0	0	0	0	106.8	V541 T544 W545 M607 F608 K610	V541-T590 HydrophobicContact CB-CG2 4.4Å; V541-T590 HydrophobicContact CG1-CG2 4.07Å; V541-T590 VanDerWaalsContact CG1-O 3.3Å; V541-T590 WeakPolarHBondContact CG1-O 3.3Å; V541-T590 HydrophobicContact CG2-CG2 3.91Å; T544-T590 PolarHBondContact OG1-N 2.78Å; W545-T590 PolarHBondContact NE1-O 3.26Å; T590-M607 HydrophobicContact CG2-CG 3.63Å; T590-M607 HydrophobicContact CG2-SD 3.48Å; T590-M607 WeakPolarHBondContact CG2-SD 3.36Å; T590-F608 CarbonylContact C-O 3.59Å; T590-F608 VanDerWaalsContact CA-O 3.29Å; T590-F608 WeakPolarHBondContact CA-O 3.37Å; T590-K610 PolarHBondContact OG1-N 2.78Å
591	I	98.6	Very high	94.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	120.7	-165.9	-46.3	171.4	0	0	0	109.5	W545 P552 V554 Q567 W589 V593 M607 F608 Y638	W545-I591 HydrophobicContact CH2-CG1 4.41Å; W545-I591 HydrophobicContact CZ2-CB 4.3Å; W545-I591 HydrophobicContact CZ2-CG1 3.96Å; W545-I591 HydrophobicContact CZ2-CG2 4.16Å; P552-I591 HydrophobicContact CB-CD1 4.2Å; P552-I591 HydrophobicContact CG-CD1 3.6Å; P552-I591 HydrophobicContact CG-CG1 4.3Å; V554-I591 HydrophobicContact CG2-CD1 4.05Å; Q567-I591 HydrophobicContact CB-CD1 4.24Å; W589-I591 HydrophobicContact CB-CD1 4.38Å; W589-I591 HydrophobicContact CB-CG1 3.77Å; I591-V593 HydrophobicContact CB-CG2 4.09Å; I591-V593 HydrophobicContact CG2-CG2 3.88Å; I591-V593 PolarHBondContact O-N 2.89Å; I591-V593 VanDerWaalsContact O-N 3.14Å; I591-M607 VanDerWaalsContact C-SD 3.54Å; I591-F608 HydrophobicContact CB-CB 4.18Å; I591-F608 HydrophobicContact CD1-CD1 4.27Å; I591-F608 PolarHBondContact N-O 3.05Å; I591-F608 PolarHBondContact O-N 2.94Å; I591-Y638 HydrophobicContact CG2-CD1 3.47Å; I591-Y638 VanDerWaalsContact CG2-CD1 3.47Å; I591-Y638 HydrophobicContact CG2-CE1 3.42Å; I591-Y638 VanDerWaalsContact CG2-CE1 3.42Å; I591-Y638 HydrophobicContact CG2-CG 4.19Å
592	P	97.3	Very high	94.3	Very high	9 Å²	9	51 Å²	51	6%	0.058	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	103.1	165.3	28	-28.9	0	0	0	108.4	M495 W499 M607	M495-P592 HydrophobicContact CG-CG 3.88Å; M495-P592 HydrophobicContact SD-CG 4.03Å; W499-P592 HydrophobicContact CB-CB 4.12Å; W499-P592 HydrophobicContact CB-CG 4.27Å; W499-P592 HydrophobicContact CG-CB 3.94Å; W499-P592 HydrophobicContact CG-CG 4.36Å; P592-M607 HydrophobicContact CB-CE 4.1Å; P592-M607 HydrophobicContact CB-SD 4.37Å
593	V	96.8	Very high	94	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	114	-176.7	179.5	0	0	0	0	109.3	L565 I591 E605 T606 F608 L615 I630	L565-V593 HydrophobicContact CD1-CG1 3.79Å; I591-V593 HydrophobicContact CB-CG2 4.09Å; I591-V593 HydrophobicContact CG2-CG2 3.88Å; I591-V593 PolarHBondContact O-N 2.89Å; I591-V593 VanDerWaalsContact O-N 3.14Å; V593-E605 CarbonylContact O-C 3.53Å; V593-E605 WeakPolarHBondContact O-CA 3.46Å; V593-T606 HydrophobicContact CB-CG2 4.42Å; V593-T606 PolarHBondContact N-O 2.93Å; V593-T606 PolarHBondContact O-N 3.04Å; V593-F608 HydrophobicContact CG2-CB 3.85Å; V593-L615 HydrophobicContact CB-CD2 4.4Å; V593-L615 HydrophobicContact CG2-CD2 4.27Å; V593-I630 HydrophobicContact CG1-CG2 4Å
594	K	93.6	Very high	93.7	Very high	48 Å²	48	53.6 Å²	53.6	21%	0.209	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	136.4	171.5	-163.6	177.3	-162.1	165.1	0	110	D498 E604 N631 I635	D498-K594 VanDerWaalsContact CG-NZ 3.32Å; D498-K594 IonicContact OD1-NZ 3.18Å; D498-K594 PolarHBondContact OD1-NZ 3.23Å; D498-K594 IonicContact OD2-NZ 3.49Å; D498-K594 PolarHBondContact OD2-NZ 2.84Å; K594-E604 WeakPolarHBondContact CA-O 3.23Å; K594-N631 PolarHBondContact O-N 3.49Å; K594-I635 HydrophobicContact CD-CG2 4.34Å
595	W	92.4	Very high	93.5	Very high	6 Å²	6	53.2 Å²	53.2	2%	0.023	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	155.4	178.2	60.3	-95.1	0	0	0	112.4	S597 K602 I603 E604 I617 L628 K629 I630	W595-S597 WeakPolarHBondContact CZ3-OG 3.21Å; W595-K602 HydrophobicContact CZ3-CB 4.12Å; W595-I603 WeakPolarHBondContact O-CA 3.27Å; W595-E604 HydrophobicContact CD2-CB 4.33Å; W595-E604 HydrophobicContact CH2-CB 4.04Å; W595-E604 HydrophobicContact CH2-CG 3.75Å; W595-E604 HydrophobicContact CZ2-CB 3.51Å; W595-E604 VanDerWaalsContact CZ2-CD 3.41Å; W595-E604 HydrophobicContact CZ2-CG 3.65Å; W595-E604 VanDerWaalsContact CZ2-OE2 3.24Å; W595-E604 WeakPolarHBondContact CZ2-OE2 3.46Å; W595-E604 HydrophobicContact CZ3-CG 4.47Å; W595-E604 PolarHBondContact N-O 3.27Å; W595-E604 PolarHBondContact O-N 2.85Å; W595-E604 VanDerWaalsContact O-N 3.1Å; W595-I617 HydrophobicContact CD2-CD1 4.35Å; W595-I617 HydrophobicContact CD2-CG2 4.47Å; W595-I617 HydrophobicContact CG-CD1 4.04Å; W595-I617 HydrophobicContact CH2-CG2 4.14Å; W595-I617 HydrophobicContact CZ2-CG2 3.57Å; W595-L628 HydrophobicContact CB-CD1 4.18Å; W595-L628 HydrophobicContact CD2-CD1 3.94Å; W595-L628 HydrophobicContact CE3-CD1 3.45Å; W595-L628 VanDerWaalsContact CE3-CD1 3.45Å; W595-L628 HydrophobicContact CG-CD1 4.29Å; W595-L628 HydrophobicContact CZ3-CD1 4.15Å; W595-K629 CarbonylContact C-O 3.53Å; W595-K629 WeakPolarHBondContact CA-O 3.23Å; W595-K629 WeakPolarHBondContact CB-O 3.4Å; W595-I630 HydrophobicContact CB-CG1 3.95Å
596	Y	91.2	Very high	93.3	Very high	53 Å²	53	53.7 Å²	53.7	21%	0.208	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	132	179.6	171.4	-110.2	0	0	0	111.3	V598 N601 K602 I603 K629 N632	Y596-V598 HydrophobicContact CD1-CG2 4.08Å; Y596-V598 HydrophobicContact CE1-CB 4.31Å; Y596-V598 HydrophobicContact CE1-CG2 3.96Å; Y596-N601 HydrophobicContact CE2-CB 4.21Å; Y596-N601 PolarHBondContact OH-OD1 3.39Å; Y596-K602 CarbonylContact C-O 3.56Å; Y596-K602 VanDerWaalsContact CA-O 3.27Å; Y596-K602 WeakPolarHBondContact CA-O 3.28Å; Y596-K602 WeakPolarHBondContact CD2-O 3.42Å; Y596-I603 HydrophobicContact CD2-CD1 4.24Å; Y596-I603 HydrophobicContact CD2-CG1 3.46Å; Y596-I603 VanDerWaalsContact CD2-CG1 3.46Å; Y596-I603 HydrophobicContact CE2-CG1 4.14Å; Y596-I603 HydrophobicContact CG-CG1 4.38Å; Y596-K629 HydrophobicContact CD1-CB 4.3Å; Y596-K629 HydrophobicContact CD1-CD 4.02Å; Y596-K629 PolarHBondContact N-O 3.25Å; Y596-K629 WeakPolarHBondContact O-CB 3.28Å; Y596-K629 PolarHBondContact O-N 3.27Å; Y596-N632 WeakPolarHBondContact CB-ND2 3.43Å
597	S	89.9	Confident	93.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	115	172.8	-71.5	0	0	0	0	110.8	W595 K599 S600 N601 K602 D625	W595-S597 WeakPolarHBondContact CZ3-OG 3.21Å; S597-K599 VanDerWaalsContact C-N 3.34Å; S597-K599 PolarHBondContact O-N 3.3Å; S597-S600 WeakPolarHBondContact CB-OG 3.31Å; S597-N601 WeakPolarHBondContact O-CA 3.31Å; S597-N601 PolarHBondContact O-N 3.19Å; S597-K602 PolarHBondContact N-O 2.92Å; S597-D625 CarbonylContact C-O 3.51Å
598	V	86.6	Confident	93.2	Very high	28 Å²	28	48.7 Å²	48.7	17%	0.17	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-33.7	-169.2	175	0	0	0	0	113.7	Y596 N601 D625 L627 T660 F661	Y596-V598 HydrophobicContact CD1-CG2 4.08Å; Y596-V598 HydrophobicContact CE1-CB 4.31Å; Y596-V598 HydrophobicContact CE1-CG2 3.96Å; V598-N601 PolarHBondContact O-OD1 2.93Å; V598-D625 PolarHBondContact N-O 2.83Å; V598-L627 HydrophobicContact CB-CB 4.31Å; V598-L627 HydrophobicContact CG2-CB 4.01Å; V598-L627 HydrophobicContact CG2-CD2 4.3Å; V598-L627 HydrophobicContact CG2-CG 4.32Å; V598-L627 WeakPolarHBondContact CG2-O 3.34Å; V598-L627 PolarHBondContact N-O 2.98Å; V598-T660 HydrophobicContact CG1-CG2 3.82Å; V598-F661 HydrophobicContact CG2-CE1 4.1Å
599	K	88	Confident	93.1	Very high	143 Å²	143	46.4 Å²	46.4	62%	0.622	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-35.8	-176.4	-173.4	179.1	173	-177.7	0	112.8	S597 S623 D625	S597-K599 VanDerWaalsContact C-N 3.34Å; S597-K599 PolarHBondContact O-N 3.3Å; K599-S623 PolarHBondContact NZ-O 3.33Å; K599-D625 VanDerWaalsContact CB-O 3.29Å; K599-D625 WeakPolarHBondContact CB-O 3.29Å; K599-D625 PolarHBondContact N-O 3.34Å
600	S	89.1	Confident	93	Very high	41 Å²	41	48 Å²	48	29%	0.287	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-7.4	-177.8	59	0	0	0	0	113.8	S597 K602 D625	S597-S600 WeakPolarHBondContact CB-OG 3.31Å; S600-K602 PolarHBondContact O-N 3.38Å; S600-D625 VanDerWaalsContact CB-OD1 3.23Å; S600-D625 WeakPolarHBondContact CB-OD1 3.2Å; S600-D625 PolarHBondContact OG-OD1 3.38Å
601	N	88.4	Confident	92.9	Very high	110 Å²	110	54 Å²	54	59%	0.588	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	27.9	-176.2	-60.2	-12.6	0	0	0	113.8	Y596 S597 V598	Y596-N601 HydrophobicContact CE2-CB 4.21Å; Y596-N601 PolarHBondContact OH-OD1 3.39Å; S597-N601 WeakPolarHBondContact O-CA 3.31Å; S597-N601 PolarHBondContact O-N 3.19Å; V598-N601 PolarHBondContact O-OD1 2.93Å
602	K	88.8	Confident	92.7	Very high	77 Å²	77	56.9 Å²	56.9	34%	0.335	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	128.4	174.5	-66.6	174.8	-176.7	163	0	109.4	W595 Y596 S597 S600 D619 D625	W595-K602 HydrophobicContact CZ3-CB 4.12Å; Y596-K602 CarbonylContact C-O 3.56Å; Y596-K602 VanDerWaalsContact CA-O 3.27Å; Y596-K602 WeakPolarHBondContact CA-O 3.28Å; Y596-K602 WeakPolarHBondContact CD2-O 3.42Å; S597-K602 PolarHBondContact N-O 2.92Å; S600-K602 PolarHBondContact O-N 3.38Å; K602-D619 PolarHBondContact NZ-O 2.8Å; K602-D625 WeakPolarHBondContact CE-OD1 3.32Å; K602-D625 IonicContact NZ-OD1 3.08Å; K602-D625 PolarHBondContact NZ-OD1 3.07Å; K602-D625 IonicContact NZ-OD2 3.71Å
603	I	90.1	Very high	92.4	Very high	106 Å²	106	60.4 Å²	60.4	54%	0.544	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125.2	169.2	-59.8	169.2	0	0	0	107	W595 Y596	W595-I603 WeakPolarHBondContact O-CA 3.27Å; Y596-I603 HydrophobicContact CD2-CD1 4.24Å; Y596-I603 HydrophobicContact CD2-CG1 3.46Å; Y596-I603 VanDerWaalsContact CD2-CG1 3.46Å; Y596-I603 HydrophobicContact CE2-CG1 4.14Å; Y596-I603 HydrophobicContact CG-CG1 4.38Å
604	E	91.1	Very high	92.4	Very high	102 Å²	102	64.8 Å²	64.8	48%	0.477	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	159.8	173.6	-58.6	-172.8	-172.5	0	0	110.9	K594 W595	K594-E604 WeakPolarHBondContact CA-O 3.23Å; W595-E604 HydrophobicContact CD2-CB 4.33Å; W595-E604 HydrophobicContact CH2-CB 4.04Å; W595-E604 HydrophobicContact CH2-CG 3.75Å; W595-E604 HydrophobicContact CZ2-CB 3.51Å; W595-E604 VanDerWaalsContact CZ2-CD 3.41Å; W595-E604 HydrophobicContact CZ2-CG 3.65Å; W595-E604 VanDerWaalsContact CZ2-OE2 3.24Å; W595-E604 WeakPolarHBondContact CZ2-OE2 3.46Å; W595-E604 HydrophobicContact CZ3-CG 4.47Å; W595-E604 PolarHBondContact N-O 3.27Å; W595-E604 PolarHBondContact O-N 2.85Å; W595-E604 VanDerWaalsContact O-N 3.1Å
605	E	92.2	Very high	92.4	Very high	85 Å²	85	63.6 Å²	63.6	40%	0.397	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	135.1	175.4	-173.6	-176.6	99.7	0	0	109	V593	V593-E605 CarbonylContact O-C 3.53Å; V593-E605 WeakPolarHBondContact O-CA 3.46Å
606	T	93.4	Very high	92.5	Very high	53 Å²	53	66 Å²	66	33%	0.325	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	152.3	178.1	-161.6	0	0	0	0	111.3	V593 L615	V593-T606 HydrophobicContact CB-CG2 4.42Å; V593-T606 PolarHBondContact N-O 2.93Å; V593-T606 PolarHBondContact O-N 3.04Å; T606-L615 HydrophobicContact CG2-CD1 3.95Å; T606-L615 HydrophobicContact CG2-CD2 3.42Å; T606-L615 VanDerWaalsContact CG2-CD2 3.42Å; T606-L615 HydrophobicContact CG2-CG 4.14Å
607	M	96.3	Very high	92.4	Very high	64 Å²	64	63.8 Å²	63.8	32%	0.315	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	115.3	-176.7	-167.6	61.8	69.1	0	0	110.9	W499 V541 T590 I591 P592 N609	W499-M607 HydrophobicContact CD2-CE 4.25Å; W499-M607 VanDerWaalsContact CE2-CE 3.47Å; W499-M607 HydrophobicContact CH2-CE 4.5Å; W499-M607 HydrophobicContact CZ2-CE 3.63Å; V541-M607 HydrophobicContact CG1-SD 4.41Å; V541-M607 HydrophobicContact CG2-CE 4.33Å; T590-M607 HydrophobicContact CG2-CG 3.63Å; T590-M607 HydrophobicContact CG2-SD 3.48Å; T590-M607 WeakPolarHBondContact CG2-SD 3.36Å; I591-M607 VanDerWaalsContact C-SD 3.54Å; P592-M607 HydrophobicContact CB-CE 4.1Å; P592-M607 HydrophobicContact CB-SD 4.37Å; M607-N609 PolarHBondContact O-N 2.85Å
608	F	97.8	Very high	92.1	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	97.7	170.8	-168	177.3	0	0	0	109.6	L565 Q567 T590 I591 V593 T612 L615	L565-F608 HydrophobicContact CB-CE1 4.36Å; Q567-F608 HydrophobicContact CB-CD1 4.45Å; Q567-F608 HydrophobicContact CB-CE1 3.76Å; Q567-F608 HydrophobicContact CB-CZ 4.23Å; Q567-F608 HydrophobicContact CG-CE1 3.86Å; Q567-F608 HydrophobicContact CG-CZ 3.86Å; T590-F608 CarbonylContact C-O 3.59Å; T590-F608 VanDerWaalsContact CA-O 3.29Å; T590-F608 WeakPolarHBondContact CA-O 3.37Å; I591-F608 HydrophobicContact CB-CB 4.18Å; I591-F608 HydrophobicContact CD1-CD1 4.27Å; I591-F608 PolarHBondContact N-O 3.05Å; I591-F608 PolarHBondContact O-N 2.94Å; V593-F608 HydrophobicContact CG2-CB 3.85Å; F608-T612 WeakPolarHBondContact CD2-OG1 3.47Å; F608-T612 WeakPolarHBondContact CE2-OG1 3.23Å; F608-L615 HydrophobicContact CB-CB 4.43Å; F608-L615 HydrophobicContact CB-CD2 3.76Å; F608-L615 HydrophobicContact CD1-CB 4.27Å; F608-L615 HydrophobicContact CD1-CD2 4.49Å; F608-L615 HydrophobicContact CD2-CB 3.82Å; F608-L615 HydrophobicContact CE2-CB 4.1Å; F608-L615 HydrophobicContact CG-CB 3.92Å; F608-L615 HydrophobicContact CG-CD2 4.1Å; F608-L615 HydrophobicContact CZ-CB 4.43Å
609	N	97	Very high	91.9	Very high	47 Å²	47	74.6 Å²	74.6	25%	0.251	40%	0.401	S	S	.	.			trans	-71	133.8	-177.5	-168.4	-63.6	0	0	0	112.2	M607 N611 T612	M607-N609 PolarHBondContact O-N 2.85Å; N609-N611 PolarHBondContact O-N 2.95Å; N609-N611 WeakPolarHBondContact OD1-CB 3.27Å; N609-N611 PolarHBondContact OD1-N 2.87Å; N609-N611 PolarHBondContact OD1-ND2 3.47Å; N609-T612 HydrophobicContact CB-CG2 4.21Å; N609-T612 PolarHBondContact O-N 3.01Å; N609-T612 PolarHBondContact O-OG1 3.1Å
610	K	96.2	Very high	91.9	Very high	33 Å²	33	68 Å²	68	14%	0.143	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-24.9	177.8	71.8	-170.5	176.9	-162.5	0	115.3	T544 F585 K588 W589 T590	T544-K610 HydrophobicContact CG2-CD 3.75Å; F585-K610 HydrophobicContact CD1-CD 4.38Å; K588-K610 HydrophobicContact CB-CB 3.91Å; K588-K610 VanDerWaalsContact CD-O 3.27Å; K588-K610 WeakPolarHBondContact CD-O 3.41Å; W589-K610 WeakPolarHBondContact O-CA 3.47Å; W589-K610 PolarHBondContact O-N 3.44Å; T590-K610 PolarHBondContact OG1-N 2.78Å
611	N	95.1	Very high	91.8	Very high	128 Å²	128	67.1 Å²	67.1	68%	0.684	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-10.5	-179.5	-60.9	-46.2	0	0	0	113.1	N609	N609-N611 PolarHBondContact O-N 2.95Å; N609-N611 WeakPolarHBondContact OD1-CB 3.27Å; N609-N611 PolarHBondContact OD1-N 2.87Å; N609-N611 PolarHBondContact OD1-ND2 3.47Å
612	T	94.8	Very high	91.6	Very high	62 Å²	62	64.2 Å²	64.2	38%	0.38	35%	0.353	S	S	.	.			trans	-93	139.8	176.8	58.9	0	0	0	0	110.4	F608 N609 E614	F608-T612 WeakPolarHBondContact CD2-OG1 3.47Å; F608-T612 WeakPolarHBondContact CE2-OG1 3.23Å; N609-T612 HydrophobicContact CB-CG2 4.21Å; N609-T612 PolarHBondContact O-N 3.01Å; N609-T612 PolarHBondContact O-OG1 3.1Å; T612-E614 VanDerWaalsContact C-N 3.34Å
613	A	91.9	Very high	91.5	Very high	82 Å²	82	64.9 Å²	64.9	68%	0.678	37%	0.367	S	S	*	.	S	Bend	trans	-74.8	-29.7	178.1	0	0	0	0	0	112.1
614	E	95.4	Very high	91.4	Very high	93 Å²	93	62.4 Å²	62.4	44%	0.435	36%	0.363	S	S	.	.			trans	-150.5	155.2	-176.6	65.7	-161.4	-114.9	0	0	111.1	K564 L565 T566 T612	K564-E614 HydrophobicContact CD-CB 4.4Å; K564-E614 WeakPolarHBondContact CE-OE1 3.46Å; K564-E614 WeakPolarHBondContact CE-OE2 3.48Å; K564-E614 HydrophobicContact CG-CB 4.18Å; K564-E614 IonicContact NZ-OE1 3.17Å; K564-E614 PolarHBondContact NZ-OE1 3.43Å; K564-E614 IonicContact NZ-OE2 3.1Å; K564-E614 PolarHBondContact NZ-OE2 2.64Å; L565-E614 CarbonylContact O-C 3.59Å; L565-E614 VanDerWaalsContact O-CA 3.24Å; L565-E614 WeakPolarHBondContact O-CA 3.49Å; T566-E614 HydrophobicContact CG2-CB 4.09Å; T612-E614 VanDerWaalsContact C-N 3.34Å
615	L	95.3	Very high	91.2	Very high	23 Å²	23	57.8 Å²	57.8	12%	0.12	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	124.2	171.3	169.7	66.7	0	0	0	108.4	L565 V593 T606 F608	L565-L615 HydrophobicContact CB-CB 4.27Å; L565-L615 HydrophobicContact CD1-CD2 3.98Å; L565-L615 PolarHBondContact N-O 2.84Å; L565-L615 PolarHBondContact O-N 3.27Å; V593-L615 HydrophobicContact CB-CD2 4.4Å; V593-L615 HydrophobicContact CG2-CD2 4.27Å; T606-L615 HydrophobicContact CG2-CD1 3.95Å; T606-L615 HydrophobicContact CG2-CD2 3.42Å; T606-L615 VanDerWaalsContact CG2-CD2 3.42Å; T606-L615 HydrophobicContact CG2-CG 4.14Å; F608-L615 HydrophobicContact CB-CB 4.43Å; F608-L615 HydrophobicContact CB-CD2 3.76Å; F608-L615 HydrophobicContact CD1-CB 4.27Å; F608-L615 HydrophobicContact CD1-CD2 4.49Å; F608-L615 HydrophobicContact CD2-CB 3.82Å; F608-L615 HydrophobicContact CE2-CB 4.1Å; F608-L615 HydrophobicContact CG-CB 3.92Å; F608-L615 HydrophobicContact CG-CD2 4.1Å; F608-L615 HydrophobicContact CZ-CB 4.43Å
616	A	93.2	Very high	91	Very high	56 Å²	56	54.6 Å²	54.6	46%	0.463	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	127	177	0	0	0	0	0	110.3	I618	A616-I618 HydrophobicContact CB-CG2 4.39Å; A616-I618 PolarHBondContact O-N 3.02Å
617	I	90.6	Very high	90.7	Very high	6 Å²	6	53 Å²	53	3%	0.031	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	97.9	166.7	-61.5	171.4	0	0	0	106.4	N562 A563 L565 W595 L628	N562-I617 WeakPolarHBondContact CB-O 3.39Å; A563-I617 HydrophobicContact CB-CB 4.28Å; A563-I617 PolarHBondContact N-O 3.26Å; A563-I617 PolarHBondContact O-N 3.48Å; L565-I617 HydrophobicContact CD1-CD1 4Å; L565-I617 HydrophobicContact CD2-CD1 4.44Å; L565-I617 HydrophobicContact CG-CD1 4.27Å; W595-I617 HydrophobicContact CD2-CD1 4.35Å; W595-I617 HydrophobicContact CD2-CG2 4.47Å; W595-I617 HydrophobicContact CG-CD1 4.04Å; W595-I617 HydrophobicContact CH2-CG2 4.14Å; W595-I617 HydrophobicContact CZ2-CG2 3.57Å; I617-L628 HydrophobicContact CD1-CD2 3.77Å
618	I	83.4	Confident	90.3	Very high	121 Å²	121	50.1 Å²	50.1	62%	0.621	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	155.2	176.2	62.5	175	0	0	0	109.7	A616 Y620	A616-I618 HydrophobicContact CB-CG2 4.39Å; A616-I618 PolarHBondContact O-N 3.02Å; I618-Y620 VanDerWaalsContact C-N 3.27Å; I618-Y620 PolarHBondContact O-N 3.3Å
619	D	82.9	Confident	89.9	Confident	135 Å²	135	50.7 Å²	50.7	72%	0.722	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	25.6	179.9	-53.8	-38.2	0	0	0	116	K602	K602-D619 PolarHBondContact NZ-O 2.8Å
620	Y	86.4	Confident	89.8	Confident	4 Å²	4	48.6 Å²	48.6	2%	0.016	30%	0.298	C	S	.	.			trans	-110.3	133.7	168.2	166.5	-96.7	0	0	0	110.8	V558 S561 N562 A563 I618 P622 D625 G626 L628	V558-Y620 HydrophobicContact CG1-CE1 3.86Å; V558-Y620 HydrophobicContact CG2-CE1 4.39Å; S561-Y620 CarbonylContact C-O 3.56Å; N562-Y620 VanDerWaalsContact CA-O 3.29Å; N562-Y620 WeakPolarHBondContact CA-O 3.37Å; N562-Y620 PolarHBondContact N-O 2.94Å; A563-Y620 HydrophobicContact CB-CD1 3.8Å; A563-Y620 HydrophobicContact CB-CE1 4.06Å; I618-Y620 VanDerWaalsContact C-N 3.27Å; I618-Y620 PolarHBondContact O-N 3.3Å; Y620-P622 HydrophobicContact CE1-CG 4.13Å; Y620-D625 WeakPolarHBondContact CA-OD2 3.37Å; Y620-D625 HydrophobicContact CD2-CB 3.5Å; Y620-D625 VanDerWaalsContact CD2-CB 3.5Å; Y620-D625 HydrophobicContact CE2-CB 3.62Å; Y620-G626 WeakPolarHBondContact CE2-O 3.32Å; Y620-G626 PolarHBondContact OH-O 3.1Å; Y620-L628 HydrophobicContact CD2-CD1 4.08Å; Y620-L628 HydrophobicContact CE1-CB 4.45Å; Y620-L628 HydrophobicContact CE1-CD2 4.46Å; Y620-L628 HydrophobicContact CE2-CB 3.79Å; Y620-L628 HydrophobicContact CE2-CD1 4.1Å; Y620-L628 HydrophobicContact CE2-CG 4.38Å
621	S	86.9	Confident	89.7	Confident	22 Å²	22	47.1 Å²	47.1	15%	0.154	29%	0.291	C	S	.	.			trans	-136.5	140.5	165	66.8	0	0	0	0	111.3	E560 S623 A624 D625	E560-S621 WeakPolarHBondContact O-CB 3.27Å; S621-S623 PolarHBondContact O-N 2.94Å; S621-S623 VanDerWaalsContact O-N 3.09Å; S621-S623 PolarHBondContact OG-OG 2.79Å; S621-A624 PolarHBondContact O-N 2.7Å; S621-A624 VanDerWaalsContact O-N 3.15Å; S621-A624 WeakPolarHBondContact OG-CB 3.32Å; S621-A624 PolarHBondContact OG-N 3.35Å; S621-D625 PolarHBondContact N-OD2 2.96Å; S621-D625 WeakPolarHBondContact O-CB 3.3Å; S621-D625 PolarHBondContact O-N 3.34Å
622	P	85.6	Confident	89.6	Confident	50 Å²	50	41.6 Å²	41.6	33%	0.325	26%	0.262	S	S	.	.	H	α-helix	trans	-55.4	-34.2	177.4	-28.8	37.2	0	0	0	113.3	V558 S559 Y620 G626	V558-P622 HydrophobicContact CG1-CG 3.3Å; S559-P622 WeakPolarHBondContact O-CD 3.19Å; Y620-P622 HydrophobicContact CE1-CG 4.13Å; P622-G626 VanDerWaalsContact O-CA 3.28Å; P622-G626 WeakPolarHBondContact O-CA 3.39Å; P622-G626 PolarHBondContact O-N 3.34Å
623	S	86.8	Confident	89.5	Confident	91 Å²	91	41.5 Å²	41.5	64%	0.636	26%	0.259	S	S	*	.	H	α-helix	trans	-69.2	-39	-178.7	71.6	0	0	0	0	113.5	K599 S621	K599-S623 PolarHBondContact NZ-O 3.33Å; S621-S623 PolarHBondContact O-N 2.94Å; S621-S623 VanDerWaalsContact O-N 3.09Å; S621-S623 PolarHBondContact OG-OG 2.79Å
624	A	87.9	Confident	89.8	Confident	54 Å²	54	37.6 Å²	37.6	45%	0.446	23%	0.227	S	C	.	.	H	α-helix	trans	-90.9	-40.7	-178.6	0	0	0	0	0	112.4	S621	S621-A624 PolarHBondContact O-N 2.7Å; S621-A624 VanDerWaalsContact O-N 3.15Å; S621-A624 WeakPolarHBondContact OG-CB 3.32Å; S621-A624 PolarHBondContact OG-N 3.35Å
625	D	86.9	Confident	89.9	Confident	5 Å²	5	34.2 Å²	34.2	3%	0.027	21%	0.211	C	C	.	.	H	α-helix	trans	-104.2	-14.7	-167.5	-61.3	-70.1	0	0	0	113.3	S597 V598 K599 S600 K602 Y620 S621	S597-D625 CarbonylContact C-O 3.51Å; V598-D625 PolarHBondContact N-O 2.83Å; K599-D625 VanDerWaalsContact CB-O 3.29Å; K599-D625 WeakPolarHBondContact CB-O 3.29Å; K599-D625 PolarHBondContact N-O 3.34Å; S600-D625 VanDerWaalsContact CB-OD1 3.23Å; S600-D625 WeakPolarHBondContact CB-OD1 3.2Å; S600-D625 PolarHBondContact OG-OD1 3.38Å; K602-D625 WeakPolarHBondContact CE-OD1 3.32Å; K602-D625 IonicContact NZ-OD1 3.08Å; K602-D625 PolarHBondContact NZ-OD1 3.07Å; K602-D625 IonicContact NZ-OD2 3.71Å; Y620-D625 WeakPolarHBondContact CA-OD2 3.37Å; Y620-D625 HydrophobicContact CD2-CB 3.5Å; Y620-D625 VanDerWaalsContact CD2-CB 3.5Å; Y620-D625 HydrophobicContact CE2-CB 3.62Å; S621-D625 PolarHBondContact N-OD2 2.96Å; S621-D625 WeakPolarHBondContact O-CB 3.3Å; S621-D625 PolarHBondContact O-N 3.34Å
626	G	86.4	Confident	90	Very high	17 Å²	17	33.2 Å²	33.2	18%	0.175	21%	0.207	C	C	.	.			trans	73.4	-151.6	178	0	0	0	0	0	112.7	Y620 P622 L628	Y620-G626 WeakPolarHBondContact CE2-O 3.32Å; Y620-G626 PolarHBondContact OH-O 3.1Å; P622-G626 VanDerWaalsContact O-CA 3.28Å; P622-G626 WeakPolarHBondContact O-CA 3.39Å; P622-G626 PolarHBondContact O-N 3.34Å; G626-L628 PolarHBondContact O-N 3.04Å
627	L	87.1	Confident	90.2	Very high	20 Å²	20	30.6 Å²	30.6	11%	0.105	19%	0.185	C	C	.	.	S	Bend	trans	-61.7	132.9	176.4	173.7	68.1	0	0	0	110.4	V598 M646 I650 F661	V598-L627 HydrophobicContact CB-CB 4.31Å; V598-L627 HydrophobicContact CG2-CB 4.01Å; V598-L627 HydrophobicContact CG2-CD2 4.3Å; V598-L627 HydrophobicContact CG2-CG 4.32Å; V598-L627 WeakPolarHBondContact CG2-O 3.34Å; V598-L627 PolarHBondContact N-O 2.98Å; L627-M646 HydrophobicContact CD1-CE 4.34Å; L627-M646 HydrophobicContact CD1-CG 3.8Å; L627-M646 HydrophobicContact CD1-SD 3.21Å; L627-M646 WeakPolarHBondContact CD1-SD 3.24Å; L627-I650 HydrophobicContact CD1-CD1 4.28Å; L627-I650 HydrophobicContact CD1-CG1 3.89Å; L627-I650 HydrophobicContact CD2-CG1 3.86Å; L627-F661 HydrophobicContact CD2-CE1 3.54Å; L627-F661 HydrophobicContact CD2-CZ 3.32Å
628	L	88.4	Confident	90.6	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.016	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	108.9	172.8	-172.6	66	0	0	0	109.6	A563 W595 I617 Y620 G626 I630	A563-L628 HydrophobicContact CB-CD2 3.6Å; W595-L628 HydrophobicContact CB-CD1 4.18Å; W595-L628 HydrophobicContact CD2-CD1 3.94Å; W595-L628 HydrophobicContact CE3-CD1 3.45Å; W595-L628 VanDerWaalsContact CE3-CD1 3.45Å; W595-L628 HydrophobicContact CG-CD1 4.29Å; W595-L628 HydrophobicContact CZ3-CD1 4.15Å; I617-L628 HydrophobicContact CD1-CD2 3.77Å; Y620-L628 HydrophobicContact CD2-CD1 4.08Å; Y620-L628 HydrophobicContact CE1-CB 4.45Å; Y620-L628 HydrophobicContact CE1-CD2 4.46Å; Y620-L628 HydrophobicContact CE2-CB 3.79Å; Y620-L628 HydrophobicContact CE2-CD1 4.1Å; Y620-L628 HydrophobicContact CE2-CG 4.38Å; G626-L628 PolarHBondContact O-N 3.04Å; L628-I630 HydrophobicContact CD2-CD1 3.98Å; L628-I630 HydrophobicContact CD2-CG1 4.27Å; L628-I630 HydrophobicContact CG-CD1 4.27Å; L628-I630 HydrophobicContact CG-CG1 4.1Å
629	K	89.1	Confident	91.4	Very high	12 Å²	12	24.7 Å²	24.7	5%	0.052	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	122.8	173.1	179.7	-169.6	159	-175.5	0	107.9	W595 Y596 N632 D633 D662 D665 F669	W595-K629 CarbonylContact C-O 3.53Å; W595-K629 WeakPolarHBondContact CA-O 3.23Å; W595-K629 WeakPolarHBondContact CB-O 3.4Å; Y596-K629 HydrophobicContact CD1-CB 4.3Å; Y596-K629 HydrophobicContact CD1-CD 4.02Å; Y596-K629 PolarHBondContact N-O 3.25Å; Y596-K629 WeakPolarHBondContact O-CB 3.28Å; Y596-K629 PolarHBondContact O-N 3.27Å; K629-N632 VanDerWaalsContact CD-OD1 3.28Å; K629-N632 WeakPolarHBondContact CD-OD1 3.06Å; K629-N632 VanDerWaalsContact CE-CB 3.43Å; K629-N632 WeakPolarHBondContact CE-OD1 3.46Å; K629-N632 VanDerWaalsContact CG-OD1 3.28Å; K629-N632 WeakPolarHBondContact CG-OD1 3.4Å; K629-D633 IonicContact NZ-OD1 3.01Å; K629-D662 IonicContact NZ-OD2 3.86Å; K629-D665 WeakPolarHBondContact CD-OD2 3.44Å; K629-D665 WeakPolarHBondContact CE-OD1 3.47Å; K629-D665 WeakPolarHBondContact CE-OD2 3.48Å; K629-D665 IonicContact NZ-OD1 3.47Å; K629-D665 PolarHBondContact NZ-OD1 3.11Å; K629-D665 IonicContact NZ-OD2 3.96Å; K629-D665 PolarHBondContact NZ-OD2 3.3Å; K629-F669 HydrophobicContact CG-CZ 4.4Å
630	I	94.4	Very high	92.1	Very high	4 Å²	4	18.5 Å²	18.5	2%	0.021	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	146.2	177.4	-66	159	0	0	0	107.4	V556 L565 V593 W595 L628 Y638 V640	V556-I630 HydrophobicContact CB-CD1 4.23Å; V556-I630 HydrophobicContact CG1-CD1 3.7Å; V556-I630 HydrophobicContact CG2-CD1 3.42Å; V556-I630 VanDerWaalsContact CG2-CD1 3.42Å; L565-I630 HydrophobicContact CD1-CD1 4.43Å; L565-I630 HydrophobicContact CD2-CD1 3.52Å; V593-I630 HydrophobicContact CG1-CG2 4Å; W595-I630 HydrophobicContact CB-CG1 3.95Å; L628-I630 HydrophobicContact CD2-CD1 3.98Å; L628-I630 HydrophobicContact CD2-CG1 4.27Å; L628-I630 HydrophobicContact CG-CD1 4.27Å; L628-I630 HydrophobicContact CG-CG1 4.1Å; I630-Y638 HydrophobicContact CG2-CE2 4.18Å; I630-V640 HydrophobicContact CB-CG1 4.09Å; I630-V640 HydrophobicContact CB-CG2 4.07Å; I630-V640 HydrophobicContact CG2-CG1 4.43Å; I630-V640 HydrophobicContact CG2-CG2 3.81Å
631	N	96.1	Very high	92.6	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	13%	0.126	C	C	.	.	S	Bend	trans	60.9	54.8	-176.6	-160	16.5	0	0	0	112.8	K594 D633 H634 I635 G636 Y638 V640	K594-N631 PolarHBondContact O-N 3.49Å; N631-D633 PolarHBondContact O-N 2.86Å; N631-H634 WeakPolarHBondContact O-CA 3.36Å; N631-H634 PolarHBondContact O-N 3.48Å; N631-I635 PolarHBondContact OD1-N 2.94Å; N631-I635 VanDerWaalsContact OD1-N 3.09Å; N631-G636 PolarHBondContact ND2-O 3.31Å; N631-G636 WeakPolarHBondContact OD1-CA 3.48Å; N631-G636 PolarHBondContact OD1-N 3.27Å; N631-Y638 HydrophobicContact CB-CD2 4.42Å; N631-Y638 HydrophobicContact CB-CE1 4.41Å; N631-Y638 HydrophobicContact CB-CE2 3.61Å; N631-Y638 WeakPolarHBondContact CB-OH 3.44Å; N631-Y638 PolarHBondContact ND2-O 2.95Å; N631-V640 HydrophobicContact CB-CG2 3.78Å
632	N	92.3	Very high	93	Very high	13 Å²	13	18.7 Å²	18.7	7%	0.07	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-50.3	135.9	178.3	-56.9	-8.8	0	0	0	111.5	Y596 K629 H634 I635	Y596-N632 WeakPolarHBondContact CB-ND2 3.43Å; K629-N632 VanDerWaalsContact CD-OD1 3.28Å; K629-N632 WeakPolarHBondContact CD-OD1 3.06Å; K629-N632 VanDerWaalsContact CE-CB 3.43Å; K629-N632 WeakPolarHBondContact CE-OD1 3.46Å; K629-N632 VanDerWaalsContact CG-OD1 3.28Å; K629-N632 WeakPolarHBondContact CG-OD1 3.4Å; N632-H634 PolarHBondContact O-N 3.38Å; N632-I635 WeakPolarHBondContact O-CB 3.44Å; N632-I635 WeakPolarHBondContact O-CG2 3.4Å; N632-I635 PolarHBondContact O-N 2.83Å
633	D	93	Very high	93.2	Very high	60 Å²	60	20.2 Å²	20.2	32%	0.321	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	59.7	19.2	178.5	-40.3	-14	0	0	0	113	I448 R494 K629 N631 I635 A664 D665	I448-D633 WeakPolarHBondContact CD1-O 3.33Å; R494-D633 PolarHBondContact NH2-O 3.4Å; K629-D633 IonicContact NZ-OD1 3.01Å; N631-D633 PolarHBondContact O-N 2.86Å; D633-I635 PolarHBondContact O-N 3.34Å; D633-A664 HydrophobicContact CB-CB 3.86Å; D633-D665 PolarHBondContact N-OD1 3.03Å
634	H	97.3	Very high	93.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	50.2	41.1	-170.6	-147	96.4	0	0	0	111.8	M456 R494 N631 N632 S668 D672	M456-H634 WeakPolarHBondContact CE-NE2 3.49Å; M456-H634 PolarHBondContact SD-NE2 2.7Å; R494-H634 PolarHBondContact NH1-O 3.4Å; N631-H634 WeakPolarHBondContact O-CA 3.36Å; N631-H634 PolarHBondContact O-N 3.48Å; N632-H634 PolarHBondContact O-N 3.38Å; H634-S668 PolarHBondContact ND1-OG 3.37Å; H634-D672 IonicContact CE1-OD1 2.82Å; H634-D672 PolarHBondContact CE1-OD1 3.08Å
635	I	97.2	Very high	93.6	Very high	22 Å²	22	20.7 Å²	20.7	11%	0.113	12%	0.117	C	C	.	.			trans	-65.4	-40.7	-170.8	-163.7	57.5	0	0	0	113.1	R494 D498 K594 N631 N632 D633	R494-I635 HydrophobicContact CG-CD1 3.77Å; R494-I635 VanDerWaalsContact CZ-CD1 3.4Å; R494-I635 VanDerWaalsContact NH1-CA 3.3Å; R494-I635 PolarHBondContact NH1-O 2.91Å; D498-I635 HydrophobicContact CB-CD1 3.9Å; D498-I635 HydrophobicContact CB-CG1 3.46Å; D498-I635 VanDerWaalsContact CB-CG1 3.46Å; D498-I635 VanDerWaalsContact CG-CG1 3.48Å; K594-I635 HydrophobicContact CD-CG2 4.34Å; N631-I635 PolarHBondContact OD1-N 2.94Å; N631-I635 VanDerWaalsContact OD1-N 3.09Å; N632-I635 WeakPolarHBondContact O-CB 3.44Å; N632-I635 WeakPolarHBondContact O-CG2 3.4Å; N632-I635 PolarHBondContact O-N 2.83Å; D633-I635 PolarHBondContact O-N 3.34Å
636	G	97.8	Very high	93.7	Very high	2 Å²	2	21.8 Å²	21.8	2%	0.021	12%	0.123	C	C	.	.	S	Bend	trans	-85.3	148.1	174.2	0	0	0	0	0	112	N631 Y638	N631-G636 PolarHBondContact ND2-O 3.31Å; N631-G636 WeakPolarHBondContact OD1-CA 3.48Å; N631-G636 PolarHBondContact OD1-N 3.27Å; G636-Y638 PolarHBondContact O-N 3.36Å
637	F	98.7	Very high	94.1	Very high	1 Å²	1	21.2 Å²	21.2	0%	0.004	12%	0.115	C	C	.	.	S	Bend	trans	-80.8	59.4	179.8	-165.2	-106	0	0	0	111.7	V452 V455 M456 K488 S491 W545 Y551	V452-F637 HydrophobicContact CG1-CD2 4.32Å; V455-F637 HydrophobicContact CG1-CE2 3.59Å; V455-F637 HydrophobicContact CG1-CZ 3.8Å; M456-F637 HydrophobicContact CE-CB 4.35Å; M456-F637 HydrophobicContact CE-CD1 4.49Å; M456-F637 HydrophobicContact CE-CD2 3.42Å; M456-F637 VanDerWaalsContact CE-CD2 3.42Å; M456-F637 HydrophobicContact CE-CE2 3.69Å; M456-F637 HydrophobicContact CE-CG 3.86Å; M456-F637 HydrophobicContact CE-CZ 4.33Å; M456-F637 HydrophobicContact CG-CD2 4.26Å; M456-F637 HydrophobicContact CG-CE2 3.54Å; M456-F637 HydrophobicContact CG-CZ 3.67Å; K488-F637 HydrophobicContact CB-CZ 4.49Å; K488-F637 HydrophobicContact CD-CE1 4.03Å; K488-F637 HydrophobicContact CD-CZ 4.33Å; K488-F637 HydrophobicContact CG-CD1 4.38Å; K488-F637 HydrophobicContact CG-CE1 3.75Å; K488-F637 HydrophobicContact CG-CE2 4.38Å; K488-F637 HydrophobicContact CG-CZ 3.75Å; S491-F637 VanDerWaalsContact CB-CD2 3.49Å; W545-F637 HydrophobicContact CE3-CB 4.46Å; W545-F637 HydrophobicContact CE3-CD1 4.36Å; W545-F637 WeakPolarHBondContact CH2-O 3.48Å; W545-F637 HydrophobicContact CZ3-CB 4.07Å; W545-F637 HydrophobicContact CZ3-CD1 4.14Å; W545-F637 WeakPolarHBondContact CZ3-O 3.23Å; Y551-F637 AromaticContact CD1-CE1 3.71Å; Y551-F637 HydrophobicContact CD1-CE1 3.71Å; Y551-F637 HydrophobicContact CD1-CZ 4.14Å; Y551-F637 HydrophobicContact CG-CD1 4.29Å; Y551-F637 AromaticContact CG-CE1 3.93Å; Y551-F637 HydrophobicContact CG-CE1 3.93Å
638	Y	98.8	Very high	94.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-152.7	155	179.2	64.2	-91	0	0	0	111.5	P552 V554 I591 I630 N631 G636 V640	P552-Y638 WeakPolarHBondContact O-CA 3.25Å; P552-Y638 WeakPolarHBondContact O-CB 3.42Å; V554-Y638 HydrophobicContact CB-CD2 4.16Å; V554-Y638 HydrophobicContact CB-CE2 4.39Å; V554-Y638 HydrophobicContact CG2-CD2 3.52Å; V554-Y638 HydrophobicContact CG2-CE2 3.92Å; V554-Y638 HydrophobicContact CG2-CG 4.23Å; I591-Y638 HydrophobicContact CG2-CD1 3.47Å; I591-Y638 VanDerWaalsContact CG2-CD1 3.47Å; I591-Y638 HydrophobicContact CG2-CE1 3.42Å; I591-Y638 VanDerWaalsContact CG2-CE1 3.42Å; I591-Y638 HydrophobicContact CG2-CG 4.19Å; I630-Y638 HydrophobicContact CG2-CE2 4.18Å; N631-Y638 HydrophobicContact CB-CD2 4.42Å; N631-Y638 HydrophobicContact CB-CE1 4.41Å; N631-Y638 HydrophobicContact CB-CE2 3.61Å; N631-Y638 WeakPolarHBondContact CB-OH 3.44Å; N631-Y638 PolarHBondContact ND2-O 2.95Å; G636-Y638 PolarHBondContact O-N 3.36Å; Y638-V640 HydrophobicContact CD2-CG2 4.2Å; Y638-V640 HydrophobicContact CE2-CG2 3.86Å
639	R	98.7	Very high	94.5	Very high	3 Å²	3	27.6 Å²	27.6	1%	0.011	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	152.9	177.6	-61.1	-173	176.6	-75.3	3.2	111.4	M456 Y551 P552 V553 V554 D671 D672 A675	M456-R639 HydrophobicContact SD-CG 4.32Å; Y551-R639 HydrophobicContact CD2-CG 4.49Å; Y551-R639 HydrophobicContact CE2-CG 3.75Å; Y551-R639 PolarHBondContact OH-NE 2.79Å; P552-R639 PolarHBondContact O-N 3.31Å; P552-R639 VanDerWaalsContact O-N 3.11Å; V553-R639 CarbonylContact C-O 3.31Å; V553-R639 WeakPolarHBondContact CA-O 3.3Å; V553-R639 HydrophobicContact CB-CB 4.43Å; V553-R639 HydrophobicContact CG2-CB 4.32Å; V554-R639 PolarHBondContact N-O 3.41Å; R639-D671 IonicContact CZ-OD2 2.94Å; R639-D671 VanDerWaalsContact CZ-OD2 3.31Å; R639-D671 IonicContact NH1-OD2 3.95Å; R639-D671 PolarHBondContact NH1-OD2 3.01Å; R639-D671 IonicContact NH2-OD2 3.65Å; R639-D671 PolarHBondContact NH2-OD2 3.44Å; R639-D672 WeakPolarHBondContact CB-OD1 3.11Å; R639-D672 WeakPolarHBondContact CG-OD1 3.5Å; R639-D672 IonicContact CZ-OD1 2.9Å; R639-D672 IonicContact NH1-OD1 2.75Å; R639-D672 PolarHBondContact NH1-OD1 3.49Å; R639-A675 VanDerWaalsContact CZ-CB 3.48Å
640	V	98.2	Very high	94.7	Very high	4 Å²	4	27 Å²	27	2%	0.024	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	121.5	176.2	-176.8	0	0	0	0	109.8	V556 I630 N631 Y638 D672	V556-V640 HydrophobicContact CG2-CG1 3.49Å; V556-V640 VanDerWaalsContact CG2-CG1 3.49Å; I630-V640 HydrophobicContact CB-CG1 4.09Å; I630-V640 HydrophobicContact CB-CG2 4.07Å; I630-V640 HydrophobicContact CG2-CG1 4.43Å; I630-V640 HydrophobicContact CG2-CG2 3.81Å; N631-V640 HydrophobicContact CB-CG2 3.78Å; Y638-V640 HydrophobicContact CD2-CG2 4.2Å; Y638-V640 HydrophobicContact CE2-CG2 3.86Å; V640-D672 PolarHBondContact N-OD2 2.85Å
641	N	97.8	Very high	94.8	Very high	21 Å²	21	27.3 Å²	27.3	11%	0.112	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	120.1	173.8	-177.6	31.9	0	0	0	110.4	V553 V554 D555 V556 L676 V682	V553-N641 HydrophobicContact CG2-CB 3.72Å; V554-N641 PolarHBondContact O-N 3.01Å; D555-N641 WeakPolarHBondContact OD1-CB 3.43Å; D555-N641 PolarHBondContact OD1-ND2 2.87Å; V556-N641 PolarHBondContact N-O 3.44Å; N641-L676 HydrophobicContact CB-CD1 4.01Å; N641-L676 HydrophobicContact CB-CD2 4.01Å; N641-V682 WeakPolarHBondContact OD1-CG2 3.44Å
642	H	93.9	Very high	94.8	Very high	9 Å²	9	31.7 Å²	31.7	4%	0.042	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	158.2	174.6	-60.7	-77	0	0	0	111.6	M646 W647	H642-M646 HydrophobicContact CB-CB 3.96Å; H642-M646 HydrophobicContact CB-CG 4.08Å; H642-W647 HydrophobicContact CB-CD2 4.29Å; H642-W647 HydrophobicContact CB-CG 4.49Å; H642-W647 HydrophobicContact CB-CZ2 4.29Å; H642-W647 AromaticContact CD2-CH2 3.78Å; H642-W647 AromaticContact CD2-CZ2 3.81Å; H642-W647 PolarHBondContact O-NE1 3.3Å
643	E	91.4	Very high	94.9	Very high	82 Å²	82	33.9 Å²	33.9	38%	0.383	19%	0.185	S	C	.	.			trans	-61.3	149.7	169.4	-63.8	178.7	156.5	0	0	111.5	S645 M646 W647	E643-S645 PolarHBondContact O-N 2.86Å; E643-S645 VanDerWaalsContact O-N 3.13Å; E643-M646 WeakPolarHBondContact O-CA 3.18Å; E643-M646 WeakPolarHBondContact O-CB 3.35Å; E643-M646 PolarHBondContact O-N 3.4Å; E643-W647 PolarHBondContact O-N 3.33Å
644	D	91.5	Very high	95	Very high	79 Å²	79	31.1 Å²	31.1	42%	0.422	17%	0.17	S	C	.	.	H	α-helix	trans	-52.5	-37.8	-178.6	-78.5	-11	0	0	0	113.7	M646 W647 T648 N686	D644-M646 VanDerWaalsContact C-N 3.26Å; D644-M646 PolarHBondContact O-N 2.8Å; D644-W647 PolarHBondContact O-N 3.23Å; D644-T648 PolarHBondContact O-N 2.92Å; D644-T648 PolarHBondContact O-OG1 3.21Å; D644-N686 PolarHBondContact OD1-ND2 3.34Å
645	S	90.1	Very high	95	Very high	77 Å²	77	35.1 Å²	35.1	54%	0.538	19%	0.189	S	C	.	.	H	α-helix	trans	-62.3	-35.8	175.2	46.9	0	0	0	0	112	E643 T648 V649	E643-S645 PolarHBondContact O-N 2.86Å; E643-S645 VanDerWaalsContact O-N 3.13Å; S645-T648 WeakPolarHBondContact O-CB 3.4Å; S645-T648 PolarHBondContact O-N 3.36Å; S645-V649 WeakPolarHBondContact O-CG2 3.49Å; S645-V649 PolarHBondContact O-N 3.13Å; S645-V649 VanDerWaalsContact O-N 3.09Å
646	M	89.5	Confident	94.9	Very high	28 Å²	28	39.3 Å²	39.3	14%	0.138	21%	0.212	C	C	.	.	H	α-helix	trans	-76.7	-39.3	178.3	-168.8	62.2	76.5	0	0	111.7	V558 L627 H642 E643 D644 T648 V649 I650	V558-M646 HydrophobicContact CG2-CE 4.27Å; L627-M646 HydrophobicContact CD1-CE 4.34Å; L627-M646 HydrophobicContact CD1-CG 3.8Å; L627-M646 HydrophobicContact CD1-SD 3.21Å; L627-M646 WeakPolarHBondContact CD1-SD 3.24Å; H642-M646 HydrophobicContact CB-CB 3.96Å; H642-M646 HydrophobicContact CB-CG 4.08Å; E643-M646 WeakPolarHBondContact O-CA 3.18Å; E643-M646 WeakPolarHBondContact O-CB 3.35Å; E643-M646 PolarHBondContact O-N 3.4Å; D644-M646 VanDerWaalsContact C-N 3.26Å; D644-M646 PolarHBondContact O-N 2.8Å; M646-T648 PolarHBondContact O-N 3.13Å; M646-V649 WeakPolarHBondContact O-CB 3.47Å; M646-V649 PolarHBondContact O-N 3.03Å; M646-V649 HydrophobicContact SD-CB 4.21Å; M646-V649 HydrophobicContact SD-CG1 4.33Å; M646-I650 HydrophobicContact CG-CD1 4.33Å; M646-I650 WeakPolarHBondContact O-CG1 3.37Å; M646-I650 PolarHBondContact O-N 2.86Å
647	W	94.2	Very high	94.8	Very high	5 Å²	5	42.7 Å²	42.7	2%	0.019	23%	0.229	C	C	.	.	H	α-helix	trans	-56.8	-38.3	169.9	-75.5	123.5	0	0	0	112	H642 E643 D644 I650 S651 F669 D672 V673 L676 N686	H642-W647 HydrophobicContact CB-CD2 4.29Å; H642-W647 HydrophobicContact CB-CG 4.49Å; H642-W647 HydrophobicContact CB-CZ2 4.29Å; H642-W647 AromaticContact CD2-CH2 3.78Å; H642-W647 AromaticContact CD2-CZ2 3.81Å; H642-W647 PolarHBondContact O-NE1 3.3Å; E643-W647 PolarHBondContact O-N 3.33Å; D644-W647 PolarHBondContact O-N 3.23Å; W647-I650 HydrophobicContact CE3-CD1 3.83Å; W647-I650 HydrophobicContact CZ3-CD1 3.99Å; W647-I650 PolarHBondContact O-N 3.02Å; W647-S651 WeakPolarHBondContact O-CB 3.12Å; W647-S651 PolarHBondContact O-N 2.99Å; W647-F669 HydrophobicContact CZ3-CB 4.46Å; W647-F669 HydrophobicContact CZ3-CD1 4.25Å; W647-D672 HydrophobicContact CH2-CB 4.48Å; W647-V673 HydrophobicContact CD2-CG2 4.26Å; W647-V673 HydrophobicContact CE3-CB 4.48Å; W647-V673 HydrophobicContact CE3-CG2 4.32Å; W647-V673 HydrophobicContact CH2-CB 4.25Å; W647-V673 HydrophobicContact CZ3-CB 4.23Å; W647-L676 HydrophobicContact CZ2-CD1 3.84Å; W647-N686 HydrophobicContact CB-CB 4.38Å
648	T	93.4	Very high	94.7	Very high	80 Å²	80	43.8 Å²	43.8	49%	0.491	23%	0.234	S	C	.	.	H	α-helix	trans	-63.2	-44	173.4	-57.5	0	0	0	0	111.8	D644 S645 M646 S651 Q652	D644-T648 PolarHBondContact O-N 2.92Å; D644-T648 PolarHBondContact O-OG1 3.21Å; S645-T648 WeakPolarHBondContact O-CB 3.4Å; S645-T648 PolarHBondContact O-N 3.36Å; M646-T648 PolarHBondContact O-N 3.13Å; T648-S651 PolarHBondContact O-N 2.78Å; T648-Q652 WeakPolarHBondContact O-CB 3.28Å; T648-Q652 PolarHBondContact O-N 3.29Å
649	V	91.6	Very high	94.5	Very high	77 Å²	77	48.2 Å²	48.2	47%	0.467	26%	0.261	S	S	.	.	H	α-helix	trans	-62.4	-43.4	176.1	170	0	0	0	0	111.5	S645 M646 Q652 Q653	S645-V649 WeakPolarHBondContact O-CG2 3.49Å; S645-V649 PolarHBondContact O-N 3.13Å; S645-V649 VanDerWaalsContact O-N 3.09Å; M646-V649 WeakPolarHBondContact O-CB 3.47Å; M646-V649 PolarHBondContact O-N 3.03Å; M646-V649 HydrophobicContact SD-CB 4.21Å; M646-V649 HydrophobicContact SD-CG1 4.33Å; V649-Q652 PolarHBondContact O-N 3.47Å; V649-Q653 WeakPolarHBondContact O-CB 3.39Å; V649-Q653 PolarHBondContact O-N 2.86Å
650	I	93.9	Very high	94.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.3	-47.7	176.7	-63.4	165.1	0	0	0	110	L627 M646 W647 Q652 Q653 L654 F669 L690	L627-I650 HydrophobicContact CD1-CD1 4.28Å; L627-I650 HydrophobicContact CD1-CG1 3.89Å; L627-I650 HydrophobicContact CD2-CG1 3.86Å; M646-I650 HydrophobicContact CG-CD1 4.33Å; M646-I650 WeakPolarHBondContact O-CG1 3.37Å; M646-I650 PolarHBondContact O-N 2.86Å; W647-I650 HydrophobicContact CE3-CD1 3.83Å; W647-I650 HydrophobicContact CZ3-CD1 3.99Å; W647-I650 PolarHBondContact O-N 3.02Å; I650-Q652 VanDerWaalsContact C-N 3.31Å; I650-Q652 PolarHBondContact O-N 3.32Å; I650-Q653 PolarHBondContact O-N 3.42Å; I650-L654 HydrophobicContact CG2-CD1 4.13Å; I650-L654 HydrophobicContact CG2-CG 4.5Å; I650-L654 WeakPolarHBondContact O-CG 3.47Å; I650-L654 PolarHBondContact O-N 3.16Å; I650-F669 HydrophobicContact CD1-CE1 4.4Å; I650-F669 HydrophobicContact CG2-CD2 4.08Å; I650-F669 HydrophobicContact CG2-CE2 4.28Å; I650-F669 HydrophobicContact CG2-CG 4.32Å; I650-L690 HydrophobicContact CB-CD1 4.42Å; I650-L690 HydrophobicContact CG2-CD1 3.81Å
651	S	96.3	Very high	93.8	Very high	9 Å²	9	50.5 Å²	50.5	6%	0.063	28%	0.275	C	S	.	.	H	α-helix	trans	-59.1	-39.9	176.8	173.4	0	0	0	0	112.6	W647 T648 Q655 N689	W647-S651 WeakPolarHBondContact O-CB 3.12Å; W647-S651 PolarHBondContact O-N 2.99Å; T648-S651 PolarHBondContact O-N 2.78Å; S651-Q655 WeakPolarHBondContact O-CG 3.33Å; S651-Q655 PolarHBondContact O-N 3.12Å; S651-Q655 PolarHBondContact O-NE2 3.05Å; S651-Q655 PolarHBondContact OG-NE2 3.22Å; S651-N689 VanDerWaalsContact OG-C 3.27Å; S651-N689 PolarHBondContact OG-O 2.95Å
652	Q	95.1	Very high	93.6	Very high	94 Å²	94	52.7 Å²	52.7	44%	0.439	29%	0.287	S	S	.	.	H	α-helix	trans	-68.1	-44.8	175.3	-172	61.7	50.2	0	0	111.3	T648 V649 I650 L654 Q655 D656	T648-Q652 WeakPolarHBondContact O-CB 3.28Å; T648-Q652 PolarHBondContact O-N 3.29Å; V649-Q652 PolarHBondContact O-N 3.47Å; I650-Q652 VanDerWaalsContact C-N 3.31Å; I650-Q652 PolarHBondContact O-N 3.32Å; Q652-L654 VanDerWaalsContact C-N 3.29Å; Q652-L654 PolarHBondContact O-N 3.24Å; Q652-Q655 PolarHBondContact O-N 3.09Å; Q652-Q655 VanDerWaalsContact O-N 3.12Å; Q652-D656 PolarHBondContact NE2-OD1 3.48Å; Q652-D656 WeakPolarHBondContact O-CB 3.46Å; Q652-D656 VanDerWaalsContact O-CG 3.27Å; Q652-D656 PolarHBondContact O-N 3.35Å
653	Q	93.8	Very high	93.8	Very high	58 Å²	58	53 Å²	53	27%	0.271	29%	0.291	S	S	.	.	H	α-helix	trans	-60.5	-37.6	177.9	-178.9	58.4	73.7	0	0	112.2	V649 I650 D656 N657 T660 F661	V649-Q653 WeakPolarHBondContact O-CB 3.39Å; V649-Q653 PolarHBondContact O-N 2.86Å; I650-Q653 PolarHBondContact O-N 3.42Å; Q653-D656 PolarHBondContact O-N 2.96Å; Q653-N657 PolarHBondContact NE2-O 3.3Å; Q653-N657 CarbonylContact O-C 3.22Å; Q653-N657 PolarHBondContact O-N 3.34Å; Q653-N657 VanDerWaalsContact O-O 3.09Å; Q653-T660 PolarHBondContact NE2-OG1 3.05Å; Q653-F661 HydrophobicContact CB-CE2 4.11Å; Q653-F661 HydrophobicContact CB-CZ 4.42Å; Q653-F661 HydrophobicContact CG-CE2 3.58Å; Q653-F661 HydrophobicContact CG-CZ 3.83Å
654	L	96.6	Very high	94.1	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-65.6	-40	174.9	-71.9	168.9	0	0	0	112.3	I650 Q652 H658 F661 R666 L690 Y693	I650-L654 HydrophobicContact CG2-CD1 4.13Å; I650-L654 HydrophobicContact CG2-CG 4.5Å; I650-L654 WeakPolarHBondContact O-CG 3.47Å; I650-L654 PolarHBondContact O-N 3.16Å; Q652-L654 VanDerWaalsContact C-N 3.29Å; Q652-L654 PolarHBondContact O-N 3.24Å; L654-H658 HydrophobicContact CD2-CB 3.99Å; L654-H658 WeakPolarHBondContact O-CB 3.25Å; L654-H658 PolarHBondContact O-N 3.01Å; L654-H658 VanDerWaalsContact O-N 3.09Å; L654-F661 HydrophobicContact CD2-CD2 3.69Å; L654-F661 HydrophobicContact CD2-CE2 4.19Å; L654-F661 HydrophobicContact CG-CD2 4.32Å; L654-F661 HydrophobicContact CG-CE2 4.33Å; L654-R666 HydrophobicContact CD2-CG 3.8Å; L654-L690 HydrophobicContact CD1-CD1 3.5Å; L654-L690 HydrophobicContact CD1-CG 3.79Å; L654-Y693 HydrophobicContact CB-CD1 3.69Å; L654-Y693 HydrophobicContact CB-CD2 4.43Å; L654-Y693 HydrophobicContact CB-CE1 4.24Å; L654-Y693 HydrophobicContact CB-CG 3.8Å; L654-Y693 HydrophobicContact CD1-CD1 3.99Å; L654-Y693 HydrophobicContact CD1-CE1 3.86Å; L654-Y693 HydrophobicContact CD2-CD1 4.49Å; L654-Y693 HydrophobicContact CD2-CE1 4.22Å; L654-Y693 HydrophobicContact CG-CD1 4.28Å; L654-Y693 HydrophobicContact CG-CE1 4.35Å; L654-Y693 WeakPolarHBondContact O-CB 3.48Å
655	Q	97.2	Very high	94.2	Very high	84 Å²	84	45.7 Å²	45.7	39%	0.393	26%	0.255	S	S	.	.	H	α-helix	trans	-70.3	-38.2	176.3	-73.1	171.4	89.2	0	0	112.3	S651 Q652 K692	S651-Q655 WeakPolarHBondContact O-CG 3.33Å; S651-Q655 PolarHBondContact O-N 3.12Å; S651-Q655 PolarHBondContact O-NE2 3.05Å; S651-Q655 PolarHBondContact OG-NE2 3.22Å; Q652-Q655 PolarHBondContact O-N 3.09Å; Q652-Q655 VanDerWaalsContact O-N 3.12Å; Q655-K692 HydrophobicContact CG-CB 4.24Å
656	D	95.3	Very high	94.6	Very high	111 Å²	111	42.5 Å²	42.5	59%	0.594	23%	0.231	S	C	*	.	H	α-helix	trans	-71.8	-47.5	178.8	-68.5	-15.4	0	0	0	111.4	Q652 Q653	Q652-D656 PolarHBondContact NE2-OD1 3.48Å; Q652-D656 WeakPolarHBondContact O-CB 3.46Å; Q652-D656 VanDerWaalsContact O-CG 3.27Å; Q652-D656 PolarHBondContact O-N 3.35Å; Q653-D656 PolarHBondContact O-N 2.96Å
657	N	94.4	Very high	95	Very high	72 Å²	72	41.1 Å²	41.1	39%	0.385	22%	0.224	S	C	.	.	H	α-helix	trans	-163.4	94.8	175	-177.6	12.4	0	0	0	111.9	Q653 T659 T660	Q653-N657 PolarHBondContact NE2-O 3.3Å; Q653-N657 CarbonylContact O-C 3.22Å; Q653-N657 PolarHBondContact O-N 3.34Å; Q653-N657 VanDerWaalsContact O-O 3.09Å; N657-T659 VanDerWaalsContact C-N 3.25Å; N657-T659 PolarHBondContact O-N 3.1Å; N657-T659 PolarHBondContact OD1-N 3.13Å; N657-T659 PolarHBondContact OD1-OG1 2.63Å; N657-T660 PolarHBondContact ND2-OG1 3.48Å; N657-T660 WeakPolarHBondContact O-CB 3.3Å; N657-T660 PolarHBondContact O-N 3.17Å; N657-T660 PolarHBondContact O-OG1 3.4Å
658	H	96.3	Very high	95.2	Very high	25 Å²	25	41.2 Å²	41.2	12%	0.116	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-62.4	-26.9	179	67.3	-94.3	0	0	0	114.3	L654 T660 F661 R666 Y693 E696	L654-H658 HydrophobicContact CD2-CB 3.99Å; L654-H658 WeakPolarHBondContact O-CB 3.25Å; L654-H658 PolarHBondContact O-N 3.01Å; L654-H658 VanDerWaalsContact O-N 3.09Å; H658-T660 PolarHBondContact O-N 2.95Å; H658-T660 VanDerWaalsContact O-N 3.13Å; H658-F661 PolarHBondContact O-N 2.74Å; H658-R666 WeakPolarHBondContact O-CD 3.27Å; H658-R666 PolarHBondContact O-NH1 2.85Å; H658-Y693 HydrophobicContact CB-CD2 3.5Å; H658-Y693 VanDerWaalsContact CB-CD2 3.5Å; H658-Y693 HydrophobicContact CB-CE2 3.58Å; H658-Y693 HydrophobicContact CB-CG 4.41Å; H658-Y693 AromaticContact CG-CD2 3.86Å; H658-Y693 AromaticContact CG-CE2 3.91Å; H658-E696 PolarHBondContact CE1-O 3.11Å
659	T	95.1	Very high	95.4	Very high	92 Å²	92	37.9 Å²	37.9	56%	0.564	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-72.3	-3	-179	66.6	0	0	0	0	114.2	N657 F661	N657-T659 VanDerWaalsContact C-N 3.25Å; N657-T659 PolarHBondContact O-N 3.1Å; N657-T659 PolarHBondContact OD1-N 3.13Å; N657-T659 PolarHBondContact OD1-OG1 2.63Å; T659-F661 CarbonylContact C-O 3.14Å; T659-F661 PolarHBondContact O-N 3.43Å
660	T	90.9	Very high	95.7	Very high	52 Å²	52	34.2 Å²	34.2	32%	0.319	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-63.9	-28.3	168.7	-50.9	0	0	0	0	111.7	V598 Q653 N657 H658	V598-T660 HydrophobicContact CG1-CG2 3.82Å; Q653-T660 PolarHBondContact NE2-OG1 3.05Å; N657-T660 PolarHBondContact ND2-OG1 3.48Å; N657-T660 WeakPolarHBondContact O-CB 3.3Å; N657-T660 PolarHBondContact O-N 3.17Å; N657-T660 PolarHBondContact O-OG1 3.4Å; H658-T660 PolarHBondContact O-N 2.95Å; H658-T660 VanDerWaalsContact O-N 3.13Å
661	F	92.6	Very high	95.9	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.018	18%	0.184	C	C	.	.	S	Bend	trans	-103.1	147.9	169.8	-53.9	-66.7	0	0	0	108.6	V598 L627 Q653 L654 H658 T659 D665 R666 F669	V598-F661 HydrophobicContact CG2-CE1 4.1Å; L627-F661 HydrophobicContact CD2-CE1 3.54Å; L627-F661 HydrophobicContact CD2-CZ 3.32Å; Q653-F661 HydrophobicContact CB-CE2 4.11Å; Q653-F661 HydrophobicContact CB-CZ 4.42Å; Q653-F661 HydrophobicContact CG-CE2 3.58Å; Q653-F661 HydrophobicContact CG-CZ 3.83Å; L654-F661 HydrophobicContact CD2-CD2 3.69Å; L654-F661 HydrophobicContact CD2-CE2 4.19Å; L654-F661 HydrophobicContact CG-CD2 4.32Å; L654-F661 HydrophobicContact CG-CE2 4.33Å; H658-F661 PolarHBondContact O-N 2.74Å; T659-F661 CarbonylContact C-O 3.14Å; T659-F661 PolarHBondContact O-N 3.43Å; F661-D665 HydrophobicContact CB-CB 3.86Å; F661-R666 HydrophobicContact CB-CG 3.93Å; F661-R666 PolarHBondContact O-NH1 3.29Å; F661-F669 HydrophobicContact CB-CE2 4.49Å; F661-F669 AromaticContact CD1-CE2 3.77Å; F661-F669 HydrophobicContact CD1-CE2 3.77Å; F661-F669 HydrophobicContact CD1-CZ 4.31Å; F661-F669 HydrophobicContact CD2-CE2 4.19Å; F661-F669 AromaticContact CE1-CE2 3.99Å; F661-F669 HydrophobicContact CE1-CE2 3.99Å; F661-F669 HydrophobicContact CE1-CZ 4.28Å; F661-F669 HydrophobicContact CE2-CE2 4.37Å; F661-F669 AromaticContact CG-CE2 3.88Å; F661-F669 HydrophobicContact CG-CE2 3.88Å; F661-F669 HydrophobicContact CZ-CE2 4.29Å
662	D	93.6	Very high	96	Very high	67 Å²	67	34.1 Å²	34.1	36%	0.358	18%	0.181	S	C	.	.			trans	-73.2	176	171	58.4	52.9	0	0	0	111.3	K629 A664 D665 R666	K629-D662 IonicContact NZ-OD2 3.86Å; D662-A664 VanDerWaalsContact C-N 3.31Å; D662-A664 PolarHBondContact O-N 3.09Å; D662-A664 WeakPolarHBondContact OD1-CB 3.42Å; D662-A664 PolarHBondContact OD1-N 3.19Å; D662-D665 WeakPolarHBondContact OD1-CB 3.39Å; D662-D665 PolarHBondContact OD1-N 2.96Å; D662-R666 WeakPolarHBondContact O-CG 3.47Å; D662-R666 PolarHBondContact O-N 3.17Å
663	A	97.1	Very high	96.2	Very high	14 Å²	14	29.7 Å²	29.7	12%	0.116	16%	0.16	C	C	.	.	H	α-helix	trans	-66.4	-33	-179.2	0	0	0	0	0	112.9	T667 E699 I701 V702	A663-T667 VanDerWaalsContact O-CB 3.32Å; A663-T667 WeakPolarHBondContact O-CB 3.26Å; A663-T667 PolarHBondContact O-N 3.22Å; A663-T667 PolarHBondContact O-OG1 3.11Å; A663-E699 HydrophobicContact CB-CB 3.86Å; A663-E699 HydrophobicContact CB-CG 3.76Å; A663-I701 HydrophobicContact CB-CD1 3.69Å; A663-I701 HydrophobicContact CB-CG1 3.88Å; A663-V702 HydrophobicContact CB-CG2 4.21Å; A663-V702 VanDerWaalsContact O-CG2 3.3Å; A663-V702 WeakPolarHBondContact O-CG2 3.32Å
664	A	96.8	Very high	96.4	Very high	3 Å²	3	27.4 Å²	27.4	3%	0.025	15%	0.15	C	C	.	.	H	α-helix	trans	-70.2	-36.6	-178.1	0	0	0	0	0	110.7	I448 D633 D662 T667 S668 I701	I448-A664 HydrophobicContact CD1-CB 3.71Å; D633-A664 HydrophobicContact CB-CB 3.86Å; D662-A664 VanDerWaalsContact C-N 3.31Å; D662-A664 PolarHBondContact O-N 3.09Å; D662-A664 WeakPolarHBondContact OD1-CB 3.42Å; D662-A664 PolarHBondContact OD1-N 3.19Å; A664-T667 VanDerWaalsContact O-CB 3.32Å; A664-T667 WeakPolarHBondContact O-CB 3.38Å; A664-T667 PolarHBondContact O-N 3.21Å; A664-S668 WeakPolarHBondContact O-CB 3.4Å; A664-S668 PolarHBondContact O-N 2.74Å; A664-I701 HydrophobicContact CB-CD1 4.46Å
665	D	95.4	Very high	96.5	Very high	5 Å²	5	28 Å²	28	3%	0.027	15%	0.154	C	C	.	.	H	α-helix	trans	-66.7	-46.4	173.4	-68.3	-19.7	0	0	0	113.6	K629 D633 F661 D662 T667 S668 F669	K629-D665 WeakPolarHBondContact CD-OD2 3.44Å; K629-D665 WeakPolarHBondContact CE-OD1 3.47Å; K629-D665 WeakPolarHBondContact CE-OD2 3.48Å; K629-D665 IonicContact NZ-OD1 3.47Å; K629-D665 PolarHBondContact NZ-OD1 3.11Å; K629-D665 IonicContact NZ-OD2 3.96Å; K629-D665 PolarHBondContact NZ-OD2 3.3Å; D633-D665 PolarHBondContact N-OD1 3.03Å; F661-D665 HydrophobicContact CB-CB 3.86Å; D662-D665 WeakPolarHBondContact OD1-CB 3.39Å; D662-D665 PolarHBondContact OD1-N 2.96Å; D665-T667 PolarHBondContact O-N 3.25Å; D665-S668 CarbonylContact O-C 3.59Å; D665-S668 WeakPolarHBondContact O-CA 3.4Å; D665-S668 WeakPolarHBondContact O-CB 3.08Å; D665-S668 PolarHBondContact O-N 3.42Å; D665-F669 HydrophobicContact CB-CD2 4.47Å; D665-F669 HydrophobicContact CB-CE2 4.11Å; D665-F669 VanDerWaalsContact O-CD2 3.23Å; D665-F669 WeakPolarHBondContact O-CD2 3.47Å; D665-F669 WeakPolarHBondContact O-CG 3.23Å; D665-F669 PolarHBondContact O-N 3.13Å
666	R	97.9	Very high	96.6	Very high	10 Å²	10	24 Å²	24	4%	0.038	14%	0.136	C	C	.	.	H	α-helix	trans	-62.6	-39.9	178.8	-65.8	-167.4	-54.9	-96.8	5.5	110	L654 H658 F661 D662 I670 E697 V702	L654-R666 HydrophobicContact CD2-CG 3.8Å; H658-R666 WeakPolarHBondContact O-CD 3.27Å; H658-R666 PolarHBondContact O-NH1 2.85Å; F661-R666 HydrophobicContact CB-CG 3.93Å; F661-R666 PolarHBondContact O-NH1 3.29Å; D662-R666 WeakPolarHBondContact O-CG 3.47Å; D662-R666 PolarHBondContact O-N 3.17Å; R666-I670 WeakPolarHBondContact O-CB 3.46Å; R666-I670 VanDerWaalsContact O-CG1 3.26Å; R666-I670 WeakPolarHBondContact O-CG1 3.28Å; R666-I670 PolarHBondContact O-N 3.5Å; R666-I670 VanDerWaalsContact O-N 3.09Å; R666-E697 IonicContact CZ-OE1 2.65Å; R666-E697 IonicContact CZ-OE2 2.73Å; R666-E697 IonicContact NE-OE1 3.88Å; R666-E697 IonicContact NE-OE2 2.83Å; R666-E697 PolarHBondContact NE-OE2 3.23Å; R666-E697 IonicContact NH2-OE1 3.84Å; R666-E697 PolarHBondContact NH2-OE1 3.27Å; R666-E697 IonicContact NH2-OE2 2.88Å; R666-E697 PolarHBondContact NH2-OE2 3.07Å; R666-V702 HydrophobicContact CB-CG1 4.24Å; R666-V702 HydrophobicContact CB-CG2 3.86Å
667	T	98.4	Very high	96.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-55.3	-50.5	168.4	-64.1	0	0	0	0	111.5	I448 I449 L453 A663 A664 D665 I670 D671 I701 V702 R705	I448-T667 HydrophobicContact CG2-CG2 3.96Å; I449-T667 HydrophobicContact CG2-CG2 3.93Å; L453-T667 HydrophobicContact CD1-CG2 3.67Å; A663-T667 VanDerWaalsContact O-CB 3.32Å; A663-T667 WeakPolarHBondContact O-CB 3.26Å; A663-T667 PolarHBondContact O-N 3.22Å; A663-T667 PolarHBondContact O-OG1 3.11Å; A664-T667 VanDerWaalsContact O-CB 3.32Å; A664-T667 WeakPolarHBondContact O-CB 3.38Å; A664-T667 PolarHBondContact O-N 3.21Å; D665-T667 PolarHBondContact O-N 3.25Å; T667-I670 PolarHBondContact O-N 3.29Å; T667-D671 PolarHBondContact O-N 3.4Å; T667-I701 WeakPolarHBondContact OG1-CG1 3.35Å; T667-V702 WeakPolarHBondContact OG1-CA 3.41Å; T667-V702 PolarHBondContact OG1-N 2.88Å; T667-R705 HydrophobicContact CG2-CB 3.9Å; T667-R705 HydrophobicContact CG2-CG 4.01Å
668	S	97.6	Very high	96.8	Very high	7 Å²	7	17.3 Å²	17.3	5%	0.049	10%	0.097	C	C	.	.	H	α-helix	trans	-61	-48.9	179.7	-175.8	0	0	0	0	112.8	H634 A664 D665 I670 D671 D672	H634-S668 PolarHBondContact ND1-OG 3.37Å; A664-S668 WeakPolarHBondContact O-CB 3.4Å; A664-S668 PolarHBondContact O-N 2.74Å; D665-S668 CarbonylContact O-C 3.59Å; D665-S668 WeakPolarHBondContact O-CA 3.4Å; D665-S668 WeakPolarHBondContact O-CB 3.08Å; D665-S668 PolarHBondContact O-N 3.42Å; S668-I670 VanDerWaalsContact C-N 3.33Å; S668-I670 PolarHBondContact O-N 3.33Å; S668-D671 PolarHBondContact O-N 2.97Å; S668-D672 WeakPolarHBondContact O-CB 3.34Å; S668-D672 PolarHBondContact O-N 3.19Å
669	F	97.7	Very high	96.8	Very high	9 Å²	9	16.2 Å²	16.2	4%	0.039	9%	0.092	C	C	.	.	H	α-helix	trans	-62.1	-41.2	179.9	-65.4	-43.1	0	0	0	112	K629 W647 I650 F661 D665 V673 L690	K629-F669 HydrophobicContact CG-CZ 4.4Å; W647-F669 HydrophobicContact CZ3-CB 4.46Å; W647-F669 HydrophobicContact CZ3-CD1 4.25Å; I650-F669 HydrophobicContact CD1-CE1 4.4Å; I650-F669 HydrophobicContact CG2-CD2 4.08Å; I650-F669 HydrophobicContact CG2-CE2 4.28Å; I650-F669 HydrophobicContact CG2-CG 4.32Å; F661-F669 HydrophobicContact CB-CE2 4.49Å; F661-F669 AromaticContact CD1-CE2 3.77Å; F661-F669 HydrophobicContact CD1-CE2 3.77Å; F661-F669 HydrophobicContact CD1-CZ 4.31Å; F661-F669 HydrophobicContact CD2-CE2 4.19Å; F661-F669 AromaticContact CE1-CE2 3.99Å; F661-F669 HydrophobicContact CE1-CE2 3.99Å; F661-F669 HydrophobicContact CE1-CZ 4.28Å; F661-F669 HydrophobicContact CE2-CE2 4.37Å; F661-F669 AromaticContact CG-CE2 3.88Å; F661-F669 HydrophobicContact CG-CE2 3.88Å; F661-F669 HydrophobicContact CZ-CE2 4.29Å; D665-F669 HydrophobicContact CB-CD2 4.47Å; D665-F669 HydrophobicContact CB-CE2 4.11Å; D665-F669 VanDerWaalsContact O-CD2 3.23Å; D665-F669 WeakPolarHBondContact O-CD2 3.47Å; D665-F669 WeakPolarHBondContact O-CG 3.23Å; D665-F669 PolarHBondContact O-N 3.13Å; F669-V673 WeakPolarHBondContact O-CB 3.4Å; F669-V673 VanDerWaalsContact O-CG1 3.29Å; F669-V673 WeakPolarHBondContact O-CG1 3.32Å; F669-V673 PolarHBondContact O-N 3.4Å; F669-L690 HydrophobicContact CB-CD2 3.91Å
670	I	98.3	Very high	96.8	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-65.5	-42.9	176.2	-69.8	173.7	0	0	0	110.6	R666 T667 S668 F674 L690 Y693 L694 V702 R705 V706	R666-I670 WeakPolarHBondContact O-CB 3.46Å; R666-I670 VanDerWaalsContact O-CG1 3.26Å; R666-I670 WeakPolarHBondContact O-CG1 3.28Å; R666-I670 PolarHBondContact O-N 3.5Å; R666-I670 VanDerWaalsContact O-N 3.09Å; T667-I670 PolarHBondContact O-N 3.29Å; S668-I670 VanDerWaalsContact C-N 3.33Å; S668-I670 PolarHBondContact O-N 3.33Å; I670-F674 HydrophobicContact CG2-CD2 4.21Å; I670-F674 HydrophobicContact CG2-CE2 4.37Å; I670-F674 WeakPolarHBondContact O-CB 3.37Å; I670-F674 WeakPolarHBondContact O-CD2 3.47Å; I670-F674 PolarHBondContact O-N 3.46Å; I670-L690 HydrophobicContact CG1-CD2 3.99Å; I670-Y693 HydrophobicContact CD1-CE1 4.48Å; I670-L694 HydrophobicContact CD1-CD2 4.29Å; I670-V702 HydrophobicContact CD1-CG1 3.67Å; I670-R705 HydrophobicContact CG2-CG 4.34Å; I670-V706 HydrophobicContact CD1-CG2 3.64Å; I670-V706 HydrophobicContact CG2-CG2 4.12Å
671	D	98.4	Very high	97	Very high	5 Å²	5	16.6 Å²	16.6	3%	0.027	9%	0.088	C	C	.	.	H	α-helix	trans	-65.2	-50.9	178.3	-162.4	73.9	0	0	0	111.8	L453 R639 T667 S668 F674 A675 R705	L453-D671 HydrophobicContact CD1-CB 3.84Å; L453-D671 HydrophobicContact CD2-CB 4.11Å; L453-D671 HydrophobicContact CG-CB 4.47Å; R639-D671 IonicContact CZ-OD2 2.94Å; R639-D671 VanDerWaalsContact CZ-OD2 3.31Å; R639-D671 IonicContact NH1-OD2 3.95Å; R639-D671 PolarHBondContact NH1-OD2 3.01Å; R639-D671 IonicContact NH2-OD2 3.65Å; R639-D671 PolarHBondContact NH2-OD2 3.44Å; T667-D671 PolarHBondContact O-N 3.4Å; S668-D671 PolarHBondContact O-N 2.97Å; D671-F674 PolarHBondContact O-N 3.47Å; D671-A675 VanDerWaalsContact O-CB 3.28Å; D671-A675 WeakPolarHBondContact O-CB 3.2Å; D671-A675 PolarHBondContact O-N 3.29Å; D671-R705 HydrophobicContact CB-CG 4.02Å; D671-R705 WeakPolarHBondContact OD1-CD 3.43Å; D671-R705 IonicContact OD1-CZ 3.79Å; D671-R705 IonicContact OD1-NE 3.09Å; D671-R705 PolarHBondContact OD1-NE 2.68Å; D671-R705 VanDerWaalsContact OD1-NE 3.1Å; D671-R705 IonicContact OD1-NH1 3.14Å; D671-R705 PolarHBondContact OD1-NH1 3.2Å; D671-R705 IonicContact OD1-NH2 2.73Å
672	D	98.5	Very high	97.2	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.011	9%	0.089	C	C	.	.	H	α-helix	trans	-60.9	-49.9	-177.8	-84.5	-3	0	0	0	111.6	H634 R639 V640 W647 S668 F674 A675 L676	H634-D672 IonicContact CE1-OD1 2.82Å; H634-D672 PolarHBondContact CE1-OD1 3.08Å; R639-D672 WeakPolarHBondContact CB-OD1 3.11Å; R639-D672 WeakPolarHBondContact CG-OD1 3.5Å; R639-D672 IonicContact CZ-OD1 2.9Å; R639-D672 IonicContact NH1-OD1 2.75Å; R639-D672 PolarHBondContact NH1-OD1 3.49Å; V640-D672 PolarHBondContact N-OD2 2.85Å; W647-D672 HydrophobicContact CH2-CB 4.48Å; S668-D672 WeakPolarHBondContact O-CB 3.34Å; S668-D672 PolarHBondContact O-N 3.19Å; D672-F674 VanDerWaalsContact C-N 3.29Å; D672-F674 PolarHBondContact O-N 2.64Å; D672-A675 PolarHBondContact O-N 3.18Å; D672-L676 HydrophobicContact CB-CD1 4.36Å; D672-L676 VanDerWaalsContact O-CB 3.23Å; D672-L676 WeakPolarHBondContact O-CB 3.29Å; D672-L676 WeakPolarHBondContact O-CD1 3.43Å; D672-L676 WeakPolarHBondContact O-CG 3.17Å; D672-L676 PolarHBondContact O-N 2.82Å
673	V	98.1	Very high	97.3	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.006	9%	0.094	C	C	.	.	H	α-helix	trans	-63.7	-35.7	-177	78.7	0	0	0	0	112.1	W647 F669 A677 V682 N686 A687 L690	W647-V673 HydrophobicContact CD2-CG2 4.26Å; W647-V673 HydrophobicContact CE3-CB 4.48Å; W647-V673 HydrophobicContact CE3-CG2 4.32Å; W647-V673 HydrophobicContact CH2-CB 4.25Å; W647-V673 HydrophobicContact CZ3-CB 4.23Å; F669-V673 WeakPolarHBondContact O-CB 3.4Å; F669-V673 VanDerWaalsContact O-CG1 3.29Å; F669-V673 WeakPolarHBondContact O-CG1 3.32Å; F669-V673 PolarHBondContact O-N 3.4Å; V673-A677 VanDerWaalsContact O-CB 3.25Å; V673-A677 WeakPolarHBondContact O-CB 3.4Å; V673-A677 PolarHBondContact O-N 3.23Å; V673-V682 HydrophobicContact CG2-CG1 4.29Å; V673-N686 HydrophobicContact CG2-CB 4.23Å; V673-A687 HydrophobicContact CG1-CB 3.96Å; V673-A687 HydrophobicContact CG2-CB 4.11Å; V673-L690 HydrophobicContact CB-CD2 4.37Å; V673-L690 HydrophobicContact CG1-CB 4.36Å; V673-L690 HydrophobicContact CG1-CD2 3.64Å
674	F	98.5	Very high	97.2	Very high	10 Å²	10	17 Å²	17	4%	0.044	9%	0.089	C	C	.	.	H	α-helix	trans	-75	-37	177	-86.2	-100	0	0	0	112.1	I670 D671 D672 R678 Y684 A687 F688 T691 I710 V713	I670-F674 HydrophobicContact CG2-CD2 4.21Å; I670-F674 HydrophobicContact CG2-CE2 4.37Å; I670-F674 WeakPolarHBondContact O-CB 3.37Å; I670-F674 WeakPolarHBondContact O-CD2 3.47Å; I670-F674 PolarHBondContact O-N 3.46Å; D671-F674 PolarHBondContact O-N 3.47Å; D672-F674 VanDerWaalsContact C-N 3.29Å; D672-F674 PolarHBondContact O-N 2.64Å; F674-R678 WeakPolarHBondContact O-CB 3.26Å; F674-R678 PolarHBondContact O-N 3.39Å; F674-Y684 HydrophobicContact CD1-CE1 4.47Å; F674-A687 HydrophobicContact CD1-CB 4.43Å; F674-A687 HydrophobicContact CD2-CB 3.94Å; F674-A687 HydrophobicContact CE1-CB 4.43Å; F674-A687 HydrophobicContact CE2-CB 3.95Å; F674-A687 HydrophobicContact CG-CB 4.2Å; F674-A687 HydrophobicContact CZ-CB 4.2Å; F674-F688 HydrophobicContact CE1-CD1 4.39Å; F674-F688 HydrophobicContact CE1-CE1 4.15Å; F674-F688 HydrophobicContact CZ-CD1 4.18Å; F674-F688 HydrophobicContact CZ-CE1 4.38Å; F674-T691 HydrophobicContact CE2-CG2 3.74Å; F674-T691 HydrophobicContact CZ-CG2 3.78Å; F674-I710 HydrophobicContact CE1-CG2 4.47Å; F674-I710 HydrophobicContact CZ-CG2 4.46Å; F674-V713 HydrophobicContact CD1-CG2 4.4Å; F674-V713 HydrophobicContact CE1-CG2 4.4Å
675	A	98.4	Very high	97.2	Very high	13 Å²	13	17.4 Å²	17.4	11%	0.107	9%	0.093	C	C	.	.	H	α-helix	trans	-68.5	-43.9	175.8	0	0	0	0	0	111.5	F570 R639 D671 D672 A677 R678 A679	F570-A675 HydrophobicContact CZ-CB 4.05Å; R639-A675 VanDerWaalsContact CZ-CB 3.48Å; D671-A675 VanDerWaalsContact O-CB 3.28Å; D671-A675 WeakPolarHBondContact O-CB 3.2Å; D671-A675 PolarHBondContact O-N 3.29Å; D672-A675 PolarHBondContact O-N 3.18Å; A675-A677 VanDerWaalsContact C-N 3.32Å; A675-A677 PolarHBondContact O-N 3.45Å; A675-R678 WeakPolarHBondContact O-CB 3.46Å; A675-R678 PolarHBondContact O-N 3.45Å; A675-A679 WeakPolarHBondContact O-CB 3.45Å; A675-A679 PolarHBondContact O-N 3.37Å
676	L	98.5	Very high	97.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.9	-39.4	174.5	-67.9	166.5	0	0	0	111.3	V553 F570 N641 W647 D672 A679 D680 I681 V682	V553-L676 HydrophobicContact CG2-CD2 3.82Å; F570-L676 HydrophobicContact CD2-CD2 4.41Å; F570-L676 HydrophobicContact CE2-CD2 4.03Å; N641-L676 HydrophobicContact CB-CD1 4.01Å; N641-L676 HydrophobicContact CB-CD2 4.01Å; W647-L676 HydrophobicContact CZ2-CD1 3.84Å; D672-L676 HydrophobicContact CB-CD1 4.36Å; D672-L676 VanDerWaalsContact O-CB 3.23Å; D672-L676 WeakPolarHBondContact O-CB 3.29Å; D672-L676 WeakPolarHBondContact O-CD1 3.43Å; D672-L676 WeakPolarHBondContact O-CG 3.17Å; D672-L676 PolarHBondContact O-N 2.82Å; L676-A679 CarbonylContact O-C 3.55Å; L676-A679 PolarHBondContact O-N 2.8Å; L676-D680 PolarHBondContact O-N 3.29Å; L676-I681 HydrophobicContact CB-CB 4.37Å; L676-I681 HydrophobicContact CD2-CB 4.24Å; L676-I681 HydrophobicContact CD2-CD1 3.96Å; L676-I681 HydrophobicContact CD2-CG2 4.04Å; L676-I681 WeakPolarHBondContact O-CB 3.45Å; L676-I681 PolarHBondContact O-N 3.47Å; L676-V682 HydrophobicContact CB-CB 4.05Å; L676-V682 HydrophobicContact CB-CG2 3.79Å; L676-V682 HydrophobicContact CD1-CG2 4.18Å; L676-V682 PolarHBondContact O-N 3.38Å
677	A	97.9	Very high	97.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-67.7	-40.1	173.6	0	0	0	0	0	112.7	V673 A675 A679 D680 V682 Y684 A687	V673-A677 VanDerWaalsContact O-CB 3.25Å; V673-A677 WeakPolarHBondContact O-CB 3.4Å; V673-A677 PolarHBondContact O-N 3.23Å; A675-A677 VanDerWaalsContact C-N 3.32Å; A675-A677 PolarHBondContact O-N 3.45Å; A677-A679 PolarHBondContact O-N 3.05Å; A677-D680 PolarHBondContact O-N 2.79Å; A677-D680 VanDerWaalsContact O-N 3.09Å; A677-V682 WeakPolarHBondContact CA-O 3.45Å; A677-V682 WeakPolarHBondContact CB-O 3.43Å; A677-Y684 HydrophobicContact CB-CD1 4.1Å; A677-Y684 HydrophobicContact CB-CD2 3.87Å; A677-Y684 HydrophobicContact CB-CE1 4.01Å; A677-Y684 HydrophobicContact CB-CE2 3.78Å; A677-Y684 HydrophobicContact CB-CG 4.01Å; A677-Y684 WeakPolarHBondContact O-CE2 3.44Å; A677-A687 HydrophobicContact CB-CB 4.41Å
678	R	97.3	Very high	97.2	Very high	43 Å²	43	17.7 Å²	17.7	16%	0.162	10%	0.095	C	C	.	.	H	α-helix	trans	-61	-33.8	174.1	-171	177.7	177.7	-168.6	-1	112.4	L572 F674 A675 D680 Y712	L572-R678 HydrophobicContact CD2-CB 4.22Å; L572-R678 HydrophobicContact CD2-CG 3.87Å; F674-R678 WeakPolarHBondContact O-CB 3.26Å; F674-R678 PolarHBondContact O-N 3.39Å; A675-R678 WeakPolarHBondContact O-CB 3.46Å; A675-R678 PolarHBondContact O-N 3.45Å; R678-D680 VanDerWaalsContact C-N 3.31Å; R678-Y712 HydrophobicContact CG-CD1 4.33Å; R678-Y712 HydrophobicContact CG-CE1 3.74Å; R678-Y712 VanDerWaalsContact CZ-CE2 3.42Å; R678-Y712 VanDerWaalsContact NE-CE1 3.34Å; R678-Y712 PolarHBondContact NE-OH 3.05Å
679	A	96.4	Very high	97.2	Very high	3 Å²	3	19.4 Å²	19.4	3%	0.025	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	7	177	0	0	0	0	0	114.4	F570 L571 A675 L676 A677 I681	F570-A679 HydrophobicContact CE2-CB 3.78Å; F570-A679 HydrophobicContact CZ-CB 3.82Å; L571-A679 WeakPolarHBondContact O-CB 3.32Å; A675-A679 WeakPolarHBondContact O-CB 3.45Å; A675-A679 PolarHBondContact O-N 3.37Å; L676-A679 CarbonylContact O-C 3.55Å; L676-A679 PolarHBondContact O-N 2.8Å; A677-A679 PolarHBondContact O-N 3.05Å; A679-I681 HydrophobicContact CB-CD1 3.96Å; A679-I681 HydrophobicContact CB-CG1 4.08Å; A679-I681 PolarHBondContact O-N 3.27Å
680	D	94.5	Very high	97.2	Very high	80 Å²	80	19 Å²	19	43%	0.428	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	28.8	-179.6	-162.7	34.2	0	0	0	113.2	P574 L676 A677 R678 K954	P574-D680 HydrophobicContact CG-CB 4.26Å; L676-D680 PolarHBondContact O-N 3.29Å; A677-D680 PolarHBondContact O-N 2.79Å; A677-D680 VanDerWaalsContact O-N 3.09Å; R678-D680 VanDerWaalsContact C-N 3.31Å; D680-K954 HydrophobicContact CB-CD 4.48Å; D680-K954 WeakPolarHBondContact OD2-CD 3.17Å; D680-K954 IonicContact OD2-NZ 2.82Å; D680-K954 PolarHBondContact OD2-NZ 3.28Å
681	I	95.9	Very high	97.2	Very high	72 Å²	72	19 Å²	19	37%	0.369	10%	0.102	S	C	.	.	S	Bend	trans	-94.6	-35.1	177.1	-60.7	173	0	0	0	110.8	F570 L676 A679	F570-I681 HydrophobicContact CD2-CD1 4.02Å; F570-I681 HydrophobicContact CE2-CD1 3.96Å; L676-I681 HydrophobicContact CB-CB 4.37Å; L676-I681 HydrophobicContact CD2-CB 4.24Å; L676-I681 HydrophobicContact CD2-CD1 3.96Å; L676-I681 HydrophobicContact CD2-CG2 4.04Å; L676-I681 WeakPolarHBondContact O-CB 3.45Å; L676-I681 PolarHBondContact O-N 3.47Å; A679-I681 HydrophobicContact CB-CD1 3.96Å; A679-I681 HydrophobicContact CB-CG1 4.08Å; A679-I681 PolarHBondContact O-N 3.27Å
682	V	95.9	Very high	97.1	Very high	7 Å²	7	22.1 Å²	22.1	4%	0.042	12%	0.116	C	C	.	.	S	Bend	trans	-127.9	142.2	-179.1	174.8	0	0	0	0	109.4	N641 V673 L676 A677 N686	N641-V682 WeakPolarHBondContact OD1-CG2 3.44Å; V673-V682 HydrophobicContact CG2-CG1 4.29Å; L676-V682 HydrophobicContact CB-CB 4.05Å; L676-V682 HydrophobicContact CB-CG2 3.79Å; L676-V682 HydrophobicContact CD1-CG2 4.18Å; L676-V682 PolarHBondContact O-N 3.38Å; A677-V682 WeakPolarHBondContact CA-O 3.45Å; A677-V682 WeakPolarHBondContact CB-O 3.43Å; V682-N686 HydrophobicContact CG1-CB 3.75Å; V682-N686 WeakPolarHBondContact CG1-ND2 3.38Å
683	N	94.9	Very high	97.1	Very high	86 Å²	86	22.4 Å²	22.4	46%	0.46	12%	0.117	S	C	.	.			trans	-63.2	136.1	175	-71	-57.5	0	0	0	111.4	G685 N686 E958	N683-G685 PolarHBondContact O-N 3.23Å; N683-N686 WeakPolarHBondContact O-CB 3.32Å; N683-N686 PolarHBondContact O-N 2.93Å; N683-E958 WeakPolarHBondContact CA-OE1 3.48Å; N683-E958 VanDerWaalsContact CB-OE1 3.31Å; N683-E958 WeakPolarHBondContact CB-OE1 3.28Å
684	Y	96.3	Very high	97.2	Very high	1 Å²	1	22.4 Å²	22.4	0%	0.004	12%	0.116	C	C	.	.	H	α-helix	trans	-55	-26.8	174.5	-99.1	-79.2	0	0	0	113.4	F674 A677 N686 A687 F688 V713 W951 N955 E958 I959	F674-Y684 HydrophobicContact CD1-CE1 4.47Å; A677-Y684 HydrophobicContact CB-CD1 4.1Å; A677-Y684 HydrophobicContact CB-CD2 3.87Å; A677-Y684 HydrophobicContact CB-CE1 4.01Å; A677-Y684 HydrophobicContact CB-CE2 3.78Å; A677-Y684 HydrophobicContact CB-CG 4.01Å; A677-Y684 WeakPolarHBondContact O-CE2 3.44Å; Y684-N686 PolarHBondContact O-N 3.1Å; Y684-A687 HydrophobicContact CD1-CB 4.42Å; Y684-A687 WeakPolarHBondContact O-CB 3.42Å; Y684-A687 PolarHBondContact O-N 2.97Å; Y684-A687 VanDerWaalsContact O-N 3.1Å; Y684-F688 HydrophobicContact CD1-CE1 4.28Å; Y684-F688 HydrophobicContact CD1-CE2 4.48Å; Y684-F688 HydrophobicContact CD1-CZ 4.05Å; Y684-F688 PolarHBondContact O-N 2.78Å; Y684-V713 HydrophobicContact CE1-CG2 3.86Å; Y684-W951 HydrophobicContact CE1-CZ2 4.15Å; Y684-W951 AromaticContact CE2-CE2 3.72Å; Y684-W951 AromaticContact CE2-CZ2 3.68Å; Y684-W951 HydrophobicContact CE2-CZ2 3.68Å; Y684-W951 AromaticContact CE2-NE1 3.29Å; Y684-W951 VanDerWaalsContact CE2-NE1 3.29Å; Y684-W951 AromaticContact CZ-CE2 3.73Å; Y684-W951 AromaticContact CZ-CZ2 3.47Å; Y684-W951 VanDerWaalsContact CZ-CZ2 3.47Å; Y684-W951 AromaticContact CZ-NE1 3.39Å; Y684-W951 WeakPolarHBondContact OH-CZ2 3.49Å; Y684-W951 PolarHBondContact OH-NE1 2.9Å; Y684-N955 HydrophobicContact CD2-CB 3.89Å; Y684-N955 HydrophobicContact CE2-CB 3.93Å; Y684-E958 WeakPolarHBondContact CA-OE1 3.47Å; Y684-E958 PolarHBondContact N-OE1 3.29Å; Y684-E958 PolarHBondContact N-OE2 3.44Å; Y684-I959 HydrophobicContact CD1-CD1 4.01Å; Y684-I959 HydrophobicContact CD1-CG1 4.15Å; Y684-I959 HydrophobicContact CD2-CD1 3.98Å; Y684-I959 HydrophobicContact CD2-CG1 4.17Å; Y684-I959 HydrophobicContact CE1-CD1 4.34Å; Y684-I959 HydrophobicContact CE2-CD1 4.3Å; Y684-I959 HydrophobicContact CG-CD1 3.84Å; Y684-I959 HydrophobicContact CG-CG1 3.73Å
685	G	96.6	Very high	97.1	Very high	11 Å²	11	27.2 Å²	27.2	11%	0.113	13%	0.134	C	C	.	.	H	α-helix	trans	-54.5	-37.1	172.3	0	0	0	0	0	113.9	N683 N689 E958 W962	N683-G685 PolarHBondContact O-N 3.23Å; G685-N689 VanDerWaalsContact O-CB 3.27Å; G685-N689 WeakPolarHBondContact O-CB 3.32Å; G685-N689 PolarHBondContact O-N 2.91Å; G685-N689 PolarHBondContact O-ND2 2.75Å; G685-N689 VanDerWaalsContact O-ND2 3.11Å; G685-E958 PolarHBondContact N-OE1 2.96Å; G685-W962 VanDerWaalsContact CA-CD1 3.4Å; G685-W962 PolarHBondContact O-NE1 3.15Å
686	N	96.9	Very high	97.1	Very high	21 Å²	21	33.2 Å²	33.2	11%	0.112	16%	0.16	C	C	.	.	H	α-helix	trans	-68.7	-42.7	175.3	-71.9	-27.1	0	0	0	111.3	D644 W647 V673 V682 N683 Y684 F688 N689 L690	D644-N686 PolarHBondContact OD1-ND2 3.34Å; W647-N686 HydrophobicContact CB-CB 4.38Å; V673-N686 HydrophobicContact CG2-CB 4.23Å; V682-N686 HydrophobicContact CG1-CB 3.75Å; V682-N686 WeakPolarHBondContact CG1-ND2 3.38Å; N683-N686 WeakPolarHBondContact O-CB 3.32Å; N683-N686 PolarHBondContact O-N 2.93Å; Y684-N686 PolarHBondContact O-N 3.1Å; N686-F688 PolarHBondContact O-N 2.8Å; N686-N689 PolarHBondContact O-N 2.94Å; N686-L690 PolarHBondContact O-N 2.96Å
687	A	97.3	Very high	97.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.5	-48.6	177.6	0	0	0	0	0	111.5	V673 F674 A677 Y684 L690 T691	V673-A687 HydrophobicContact CG1-CB 3.96Å; V673-A687 HydrophobicContact CG2-CB 4.11Å; F674-A687 HydrophobicContact CD1-CB 4.43Å; F674-A687 HydrophobicContact CD2-CB 3.94Å; F674-A687 HydrophobicContact CE1-CB 4.43Å; F674-A687 HydrophobicContact CE2-CB 3.95Å; F674-A687 HydrophobicContact CG-CB 4.2Å; F674-A687 HydrophobicContact CZ-CB 4.2Å; A677-A687 HydrophobicContact CB-CB 4.41Å; Y684-A687 HydrophobicContact CD1-CB 4.42Å; Y684-A687 WeakPolarHBondContact O-CB 3.42Å; Y684-A687 PolarHBondContact O-N 2.97Å; Y684-A687 VanDerWaalsContact O-N 3.1Å; A687-L690 WeakPolarHBondContact O-CB 3.38Å; A687-L690 PolarHBondContact O-N 2.77Å; A687-T691 PolarHBondContact O-N 2.92Å
688	F	97.9	Very high	97.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-70.2	-33.9	178	-63.4	-28.6	0	0	0	113.2	F674 Y684 N686 L690 T691 V713 F731 I959 W962	F674-F688 HydrophobicContact CE1-CD1 4.39Å; F674-F688 HydrophobicContact CE1-CE1 4.15Å; F674-F688 HydrophobicContact CZ-CD1 4.18Å; F674-F688 HydrophobicContact CZ-CE1 4.38Å; Y684-F688 HydrophobicContact CD1-CE1 4.28Å; Y684-F688 HydrophobicContact CD1-CE2 4.48Å; Y684-F688 HydrophobicContact CD1-CZ 4.05Å; Y684-F688 PolarHBondContact O-N 2.78Å; N686-F688 PolarHBondContact O-N 2.8Å; F688-L690 VanDerWaalsContact C-N 3.27Å; F688-L690 PolarHBondContact O-N 2.89Å; F688-T691 PolarHBondContact O-N 3.43Å; F688-T691 VanDerWaalsContact O-N 3.12Å; F688-T691 PolarHBondContact O-OG1 3.44Å; F688-V713 HydrophobicContact CZ-CG1 4.26Å; F688-F731 HydrophobicContact CD1-CZ 4.42Å; F688-F731 HydrophobicContact CE1-CE2 4.5Å; F688-I959 HydrophobicContact CE2-CB 4.23Å; F688-I959 HydrophobicContact CE2-CG1 3.91Å; F688-I959 HydrophobicContact CE2-CG2 3.81Å; F688-I959 HydrophobicContact CZ-CD1 4.49Å; F688-I959 HydrophobicContact CZ-CG1 4.17Å; F688-I959 HydrophobicContact CZ-CG2 4.11Å; F688-W962 HydrophobicContact CB-CD2 3.91Å; F688-W962 HydrophobicContact CB-CE3 3.95Å; F688-W962 HydrophobicContact CB-CH2 3.55Å; F688-W962 HydrophobicContact CB-CZ2 3.44Å; F688-W962 VanDerWaalsContact CB-CZ2 3.44Å; F688-W962 HydrophobicContact CB-CZ3 3.81Å; F688-W962 AromaticContact CD2-CD2 3.8Å; F688-W962 HydrophobicContact CD2-CD2 3.8Å; F688-W962 AromaticContact CD2-CE3 3.63Å; F688-W962 HydrophobicContact CD2-CE3 3.63Å; F688-W962 HydrophobicContact CD2-CG 4.22Å; F688-W962 HydrophobicContact CD2-CZ3 4.13Å; F688-W962 HydrophobicContact CG-CD2 4.36Å; F688-W962 HydrophobicContact CG-CE3 4.18Å; F688-W962 HydrophobicContact CG-CH2 4.47Å; F688-W962 HydrophobicContact CG-CZ3 4.26Å
689	N	97.6	Very high	97.1	Very high	42 Å²	42	37.3 Å²	37.3	23%	0.225	19%	0.186	C	C	.	.	H	α-helix	trans	-60.4	-39.6	171.9	-77.6	-24.6	0	0	0	111.4	S651 G685 N686 T691 K692 W962	S651-N689 VanDerWaalsContact OG-C 3.27Å; S651-N689 PolarHBondContact OG-O 2.95Å; G685-N689 VanDerWaalsContact O-CB 3.27Å; G685-N689 WeakPolarHBondContact O-CB 3.32Å; G685-N689 PolarHBondContact O-N 2.91Å; G685-N689 PolarHBondContact O-ND2 2.75Å; G685-N689 VanDerWaalsContact O-ND2 3.11Å; N686-N689 PolarHBondContact O-N 2.94Å; N689-T691 PolarHBondContact O-N 2.74Å; N689-K692 WeakPolarHBondContact O-CB 3.29Å; N689-K692 WeakPolarHBondContact O-CG 3.5Å; N689-K692 PolarHBondContact O-N 2.75Å; N689-K692 WeakPolarHBondContact OD1-CE 3.48Å; N689-K692 PolarHBondContact OD1-NZ 2.87Å; N689-W962 WeakPolarHBondContact OD1-CZ2 3.3Å; N689-W962 PolarHBondContact OD1-NE1 2.96Å
690	L	97.3	Very high	97.2	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-61.8	-28.5	176.3	-157	79.3	0	0	0	112.5	I650 L654 F669 I670 V673 N686 A687 F688 K692 Y693	I650-L690 HydrophobicContact CB-CD1 4.42Å; I650-L690 HydrophobicContact CG2-CD1 3.81Å; L654-L690 HydrophobicContact CD1-CD1 3.5Å; L654-L690 HydrophobicContact CD1-CG 3.79Å; F669-L690 HydrophobicContact CB-CD2 3.91Å; I670-L690 HydrophobicContact CG1-CD2 3.99Å; V673-L690 HydrophobicContact CB-CD2 4.37Å; V673-L690 HydrophobicContact CG1-CB 4.36Å; V673-L690 HydrophobicContact CG1-CD2 3.64Å; N686-L690 PolarHBondContact O-N 2.96Å; A687-L690 WeakPolarHBondContact O-CB 3.38Å; A687-L690 PolarHBondContact O-N 2.77Å; F688-L690 VanDerWaalsContact C-N 3.27Å; F688-L690 PolarHBondContact O-N 2.89Å; L690-K692 VanDerWaalsContact C-N 3.32Å; L690-K692 PolarHBondContact O-N 3.07Å; L690-Y693 WeakPolarHBondContact O-CD1 3.04Å
691	T	98	Very high	97.4	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-78.3	-8.4	178.9	67.7	0	0	0	0	115.2	F674 A687 F688 N689 Y693 L694 F731	F674-T691 HydrophobicContact CE2-CG2 3.74Å; F674-T691 HydrophobicContact CZ-CG2 3.78Å; A687-T691 PolarHBondContact O-N 2.92Å; F688-T691 PolarHBondContact O-N 3.43Å; F688-T691 VanDerWaalsContact O-N 3.12Å; F688-T691 PolarHBondContact O-OG1 3.44Å; N689-T691 PolarHBondContact O-N 2.74Å; T691-Y693 PolarHBondContact O-N 3Å; T691-Y693 VanDerWaalsContact O-N 3.15Å; T691-L694 HydrophobicContact CG2-CD1 4.18Å; T691-L694 VanDerWaalsContact O-CB 3.32Å; T691-L694 WeakPolarHBondContact O-CB 3.43Å; T691-L694 VanDerWaalsContact O-CG 3.25Å; T691-L694 WeakPolarHBondContact O-CG 3.43Å; T691-L694 PolarHBondContact O-N 3.13Å; T691-L694 VanDerWaalsContact O-N 3.08Å; T691-F731 HydrophobicContact CG2-CE1 4.11Å; T691-F731 HydrophobicContact CG2-CZ 4.32Å
692	K	97.3	Very high	97.5	Very high	70 Å²	70	31.8 Å²	31.8	30%	0.304	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-61.2	-28.2	-173.1	-75.7	176.1	167.7	166.9	0	114	Q655 N689 L690 L694 N966	Q655-K692 HydrophobicContact CG-CB 4.24Å; N689-K692 WeakPolarHBondContact O-CB 3.29Å; N689-K692 WeakPolarHBondContact O-CG 3.5Å; N689-K692 PolarHBondContact O-N 2.75Å; N689-K692 WeakPolarHBondContact OD1-CE 3.48Å; N689-K692 PolarHBondContact OD1-NZ 2.87Å; L690-K692 VanDerWaalsContact C-N 3.32Å; L690-K692 PolarHBondContact O-N 3.07Å; K692-L694 VanDerWaalsContact C-N 3.32Å; K692-L694 PolarHBondContact O-N 2.94Å; K692-N966 PolarHBondContact NZ-OD1 3.49Å
693	Y	98.3	Very high	97.7	Very high	8 Å²	8	31.6 Å²	31.6	3%	0.031	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-77.8	-13.4	-179.9	87.7	-81.9	0	0	0	113.8	L654 H658 I670 L690 T691 R695 E696 E697 V702	L654-Y693 HydrophobicContact CB-CD1 3.69Å; L654-Y693 HydrophobicContact CB-CD2 4.43Å; L654-Y693 HydrophobicContact CB-CE1 4.24Å; L654-Y693 HydrophobicContact CB-CG 3.8Å; L654-Y693 HydrophobicContact CD1-CD1 3.99Å; L654-Y693 HydrophobicContact CD1-CE1 3.86Å; L654-Y693 HydrophobicContact CD2-CD1 4.49Å; L654-Y693 HydrophobicContact CD2-CE1 4.22Å; L654-Y693 HydrophobicContact CG-CD1 4.28Å; L654-Y693 HydrophobicContact CG-CE1 4.35Å; L654-Y693 WeakPolarHBondContact O-CB 3.48Å; H658-Y693 HydrophobicContact CB-CD2 3.5Å; H658-Y693 VanDerWaalsContact CB-CD2 3.5Å; H658-Y693 HydrophobicContact CB-CE2 3.58Å; H658-Y693 HydrophobicContact CB-CG 4.41Å; H658-Y693 AromaticContact CG-CD2 3.86Å; H658-Y693 AromaticContact CG-CE2 3.91Å; I670-Y693 HydrophobicContact CD1-CE1 4.48Å; L690-Y693 WeakPolarHBondContact O-CD1 3.04Å; T691-Y693 PolarHBondContact O-N 3Å; T691-Y693 VanDerWaalsContact O-N 3.15Å; Y693-R695 PolarHBondContact O-N 3.33Å; Y693-E696 PolarHBondContact O-N 3.42Å; Y693-E697 HydrophobicContact CE2-CB 3.86Å; Y693-E697 HydrophobicContact CE2-CG 4.3Å; Y693-E697 VanDerWaalsContact CE2-OE2 3.25Å; Y693-E697 WeakPolarHBondContact CE2-OE2 3.37Å; Y693-E697 PolarHBondContact OH-OE2 3.29Å; Y693-V702 WeakPolarHBondContact OH-CG1 3.45Å
694	L	98.6	Very high	97.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-58.2	-18.2	-168.1	-73.2	178.4	0	0	0	114.6	I670 T691 K692 E696 E697 W703 V706 L734	I670-L694 HydrophobicContact CD1-CD2 4.29Å; T691-L694 HydrophobicContact CG2-CD1 4.18Å; T691-L694 VanDerWaalsContact O-CB 3.32Å; T691-L694 WeakPolarHBondContact O-CB 3.43Å; T691-L694 VanDerWaalsContact O-CG 3.25Å; T691-L694 WeakPolarHBondContact O-CG 3.43Å; T691-L694 PolarHBondContact O-N 3.13Å; T691-L694 VanDerWaalsContact O-N 3.08Å; K692-L694 VanDerWaalsContact C-N 3.32Å; K692-L694 PolarHBondContact O-N 2.94Å; L694-E696 PolarHBondContact O-N 2.88Å; L694-E696 VanDerWaalsContact O-N 3.14Å; L694-E697 HydrophobicContact CD2-CB 3.93Å; L694-E697 HydrophobicContact CD2-CG 4.16Å; L694-E697 PolarHBondContact O-N 3.43Å; L694-E697 VanDerWaalsContact O-N 3.09Å; L694-W703 HydrophobicContact CB-CH2 3.89Å; L694-W703 HydrophobicContact CB-CZ2 4.13Å; L694-W703 HydrophobicContact CD1-CH2 4.36Å; L694-W703 HydrophobicContact CD1-CZ3 4.33Å; L694-W703 WeakPolarHBondContact O-CZ2 3.28Å; L694-V706 HydrophobicContact CD1-CG1 3.89Å; L694-V706 HydrophobicContact CD1-CG2 3.77Å; L694-V706 HydrophobicContact CD2-CG2 3.88Å; L694-L734 HydrophobicContact CB-CB 4.24Å; L694-L734 HydrophobicContact CD1-CD1 4.38Å
695	R	97.3	Very high	97.9	Very high	111 Å²	111	29.4 Å²	29.4	42%	0.419	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-55.2	-28.7	170.9	-68.4	-176.6	-176.7	-109.8	5.7	113	Y693 E733 L734 P737	Y693-R695 PolarHBondContact O-N 3.33Å; R695-E733 IonicContact NH2-OE2 3.62Å; R695-E733 PolarHBondContact NH2-OE2 3.45Å; R695-L734 HydrophobicContact CG-CD2 3.91Å; R695-P737 HydrophobicContact CB-CG 4.29Å; R695-P737 HydrophobicContact CG-CG 4.43Å
696	E	98	Very high	98	Very high	139 Å²	139	28.9 Å²	28.9	65%	0.65	14%	0.137	S	C	*	.	G	3₁₀ helix	trans	-101	-3.8	-179.4	-53.6	-56	140.4	0	0	113.1	H658 Y693 L694	H658-E696 PolarHBondContact CE1-O 3.11Å; Y693-E696 PolarHBondContact O-N 3.42Å; L694-E696 PolarHBondContact O-N 2.88Å; L694-E696 VanDerWaalsContact O-N 3.14Å
697	E	98.5	Very high	98.1	Very high	3 Å²	3	28.9 Å²	28.9	1%	0.014	14%	0.14	C	C	.	.			trans	-77.7	136.8	-177.3	-179.6	60.7	-99.3	0	0	111.8	R666 Y693 L694 E699 V702 W703	R666-E697 IonicContact CZ-OE1 2.65Å; R666-E697 IonicContact CZ-OE2 2.73Å; R666-E697 IonicContact NE-OE1 3.88Å; R666-E697 IonicContact NE-OE2 2.83Å; R666-E697 PolarHBondContact NE-OE2 3.23Å; R666-E697 IonicContact NH2-OE1 3.84Å; R666-E697 PolarHBondContact NH2-OE1 3.27Å; R666-E697 IonicContact NH2-OE2 2.88Å; R666-E697 PolarHBondContact NH2-OE2 3.07Å; Y693-E697 HydrophobicContact CE2-CB 3.86Å; Y693-E697 HydrophobicContact CE2-CG 4.3Å; Y693-E697 VanDerWaalsContact CE2-OE2 3.25Å; Y693-E697 WeakPolarHBondContact CE2-OE2 3.37Å; Y693-E697 PolarHBondContact OH-OE2 3.29Å; L694-E697 HydrophobicContact CD2-CB 3.93Å; L694-E697 HydrophobicContact CD2-CG 4.16Å; L694-E697 PolarHBondContact O-N 3.43Å; L694-E697 VanDerWaalsContact O-N 3.09Å; E697-E699 WeakPolarHBondContact OE1-CB 3.44Å; E697-E699 WeakPolarHBondContact OE1-CG 3.37Å; E697-E699 PolarHBondContact OE1-N 2.96Å; E697-V702 HydrophobicContact CG-CB 4.02Å; E697-V702 HydrophobicContact CG-CG1 3.81Å; E697-V702 WeakPolarHBondContact OE2-CG1 3.29Å; E697-W703 HydrophobicContact CB-CZ2 4.4Å; E697-W703 PolarHBondContact O-NE1 3.12Å
698	S	97.8	Very high	98	Very high	46 Å²	46	31.7 Å²	31.7	32%	0.322	16%	0.159	S	C	.	.			trans	-129.9	-1.8	-178.1	59.9	0	0	0	0	115	R741 L755	S698-R741 VanDerWaalsContact CB-NH2 3.34Å; S698-L755 WeakPolarHBondContact O-CD2 3.45Å
699	E	98.3	Very high	98	Very high	81 Å²	81	32.2 Å²	32.2	38%	0.379	16%	0.163	S	C	.	.			trans	-87.3	137	-175.9	-66.6	-61.2	150.5	0	0	112.8	A663 E697 V702 W703	A663-E699 HydrophobicContact CB-CB 3.86Å; A663-E699 HydrophobicContact CB-CG 3.76Å; E697-E699 WeakPolarHBondContact OE1-CB 3.44Å; E697-E699 WeakPolarHBondContact OE1-CG 3.37Å; E697-E699 PolarHBondContact OE1-N 2.96Å; E699-V702 HydrophobicContact CB-CB 4.38Å; E699-V702 HydrophobicContact CB-CG2 3.87Å; E699-V702 PolarHBondContact O-N 2.82Å; E699-W703 PolarHBondContact O-N 3.33Å
700	Y	98.3	Very high	97.9	Very high	29 Å²	29	30.2 Å²	30.2	11%	0.114	15%	0.152	C	C	.	.	H	α-helix	trans	-60.4	-52.7	-176.6	168.3	-129.9	0	0	0	112.8	I446 I449 V702 W703 S704 T751 L754 L755	I446-Y700 HydrophobicContact CD1-CD1 3.84Å; I446-Y700 HydrophobicContact CD1-CE1 3.5Å; I446-Y700 VanDerWaalsContact CD1-CE1 3.5Å; I449-Y700 HydrophobicContact CD1-CE1 4.04Å; Y700-V702 PolarHBondContact O-N 3.42Å; Y700-W703 PolarHBondContact O-N 3.01Å; Y700-S704 WeakPolarHBondContact O-CB 3.39Å; Y700-S704 PolarHBondContact O-N 3.33Å; Y700-T751 HydrophobicContact CD1-CG2 4.11Å; Y700-T751 HydrophobicContact CG-CG2 4.14Å; Y700-L754 HydrophobicContact CD1-CB 4.34Å; Y700-L754 HydrophobicContact CD1-CD1 4.44Å; Y700-L754 HydrophobicContact CD2-CB 3.98Å; Y700-L754 HydrophobicContact CE1-CB 4Å; Y700-L754 HydrophobicContact CE1-CD1 3.82Å; Y700-L754 HydrophobicContact CE2-CB 3.66Å; Y700-L754 HydrophobicContact CG-CB 4.33Å; Y700-L755 HydrophobicContact CD2-CB 4.21Å
701	I	98.3	Very high	97.9	Very high	10 Å²	10	31.1 Å²	31.1	5%	0.051	16%	0.16	C	C	.	.	H	α-helix	trans	-63.3	-33.9	-174.3	61.3	176.2	0	0	0	112	D445 I446 I449 A663 A664 T667 S704 R705	D445-I701 HydrophobicContact CB-CD1 3.81Å; D445-I701 HydrophobicContact CB-CG2 4.27Å; I446-I701 HydrophobicContact CD1-CG2 4.06Å; I449-I701 HydrophobicContact CD1-CB 4.41Å; I449-I701 HydrophobicContact CD1-CG2 4.02Å; I449-I701 HydrophobicContact CG1-CG2 4.45Å; I449-I701 HydrophobicContact CG2-CB 4.11Å; A663-I701 HydrophobicContact CB-CD1 3.69Å; A663-I701 HydrophobicContact CB-CG1 3.88Å; A664-I701 HydrophobicContact CB-CD1 4.46Å; T667-I701 WeakPolarHBondContact OG1-CG1 3.35Å; I701-S704 PolarHBondContact O-N 3.22Å; I701-R705 WeakPolarHBondContact O-CB 3.4Å; I701-R705 PolarHBondContact O-N 3.06Å
702	V	98.8	Very high	97.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.4	-50.4	176.6	-174.3	0	0	0	0	110	A663 R666 T667 I670 Y693 E697 E699 Y700 S704 R705 V706	A663-V702 HydrophobicContact CB-CG2 4.21Å; A663-V702 VanDerWaalsContact O-CG2 3.3Å; A663-V702 WeakPolarHBondContact O-CG2 3.32Å; R666-V702 HydrophobicContact CB-CG1 4.24Å; R666-V702 HydrophobicContact CB-CG2 3.86Å; T667-V702 WeakPolarHBondContact OG1-CA 3.41Å; T667-V702 PolarHBondContact OG1-N 2.88Å; I670-V702 HydrophobicContact CD1-CG1 3.67Å; Y693-V702 WeakPolarHBondContact OH-CG1 3.45Å; E697-V702 HydrophobicContact CG-CB 4.02Å; E697-V702 HydrophobicContact CG-CG1 3.81Å; E697-V702 WeakPolarHBondContact OE2-CG1 3.29Å; E699-V702 HydrophobicContact CB-CB 4.38Å; E699-V702 HydrophobicContact CB-CG2 3.87Å; E699-V702 PolarHBondContact O-N 2.82Å; Y700-V702 PolarHBondContact O-N 3.42Å; V702-S704 VanDerWaalsContact C-N 3.33Å; V702-S704 PolarHBondContact O-N 3.04Å; V702-R705 PolarHBondContact O-N 3.41Å; V702-V706 WeakPolarHBondContact O-CG2 3.44Å; V702-V706 PolarHBondContact O-N 2.87Å
703	W	98.8	Very high	97.8	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.008	15%	0.152	C	C	.	.	H	α-helix	trans	-65.2	-34.6	177.9	-84.5	111.3	0	0	0	113.2	L694 E697 E699 Y700 R705 V706 A707 V735 I738 L755 T758 V759 I762	L694-W703 HydrophobicContact CB-CH2 3.89Å; L694-W703 HydrophobicContact CB-CZ2 4.13Å; L694-W703 HydrophobicContact CD1-CH2 4.36Å; L694-W703 HydrophobicContact CD1-CZ3 4.33Å; L694-W703 WeakPolarHBondContact O-CZ2 3.28Å; E697-W703 HydrophobicContact CB-CZ2 4.4Å; E697-W703 PolarHBondContact O-NE1 3.12Å; E699-W703 PolarHBondContact O-N 3.33Å; Y700-W703 PolarHBondContact O-N 3.01Å; W703-R705 VanDerWaalsContact C-N 3.33Å; W703-V706 HydrophobicContact CE3-CB 4.2Å; W703-V706 HydrophobicContact CE3-CG1 4.04Å; W703-V706 HydrophobicContact CZ3-CG1 4.03Å; W703-V706 PolarHBondContact O-N 3.09Å; W703-A707 WeakPolarHBondContact O-CB 3.26Å; W703-A707 PolarHBondContact O-N 2.82Å; W703-V735 HydrophobicContact CE3-CG2 4.39Å; W703-V735 HydrophobicContact CH2-CB 3.94Å; W703-V735 HydrophobicContact CH2-CG2 3.96Å; W703-V735 HydrophobicContact CZ3-CB 4.04Å; W703-V735 HydrophobicContact CZ3-CG2 3.86Å; W703-I738 HydrophobicContact CH2-CG2 4.27Å; W703-I738 HydrophobicContact CZ2-CG2 3.57Å; W703-L755 HydrophobicContact CB-CD1 3.69Å; W703-L755 HydrophobicContact CG-CD1 3.8Å; W703-T758 HydrophobicContact CB-CG2 4.38Å; W703-V759 HydrophobicContact CB-CG1 4.16Å; W703-V759 HydrophobicContact CD2-CG1 3.91Å; W703-V759 HydrophobicContact CE3-CG1 4.36Å; W703-V759 HydrophobicContact CG-CG1 3.81Å; W703-I762 HydrophobicContact CE3-CD1 3.71Å; W703-I762 HydrophobicContact CZ3-CD1 4.09Å
704	S	98.4	Very high	97.6	Very high	21 Å²	21	30.6 Å²	30.6	15%	0.147	16%	0.156	C	C	.	.	H	α-helix	trans	-61.4	-43.8	172.8	-176.1	0	0	0	0	111.2	I449 Y700 I701 V702 A707 S708	I449-S704 WeakPolarHBondContact CD1-OG 3.34Å; Y700-S704 WeakPolarHBondContact O-CB 3.39Å; Y700-S704 PolarHBondContact O-N 3.33Å; I701-S704 PolarHBondContact O-N 3.22Å; V702-S704 VanDerWaalsContact C-N 3.33Å; V702-S704 PolarHBondContact O-N 3.04Å; S704-A707 WeakPolarHBondContact O-CB 3.43Å; S704-A707 PolarHBondContact O-N 2.9Å; S704-S708 PolarHBondContact O-N 2.85Å; S704-S708 PolarHBondContact O-OG 2.9Å
705	R	98.3	Very high	97.4	Very high	20 Å²	20	33.2 Å²	33.2	8%	0.075	17%	0.17	C	C	.	.	H	α-helix	trans	-67.3	-43.1	176.5	-168.9	58.2	-91.9	-174.1	-14.8	112.5	L453 T667 I670 D671 I701 V702 W703 A707 S708 S709	L453-R705 HydrophobicContact CD1-CG 4.21Å; T667-R705 HydrophobicContact CG2-CB 3.9Å; T667-R705 HydrophobicContact CG2-CG 4.01Å; I670-R705 HydrophobicContact CG2-CG 4.34Å; D671-R705 HydrophobicContact CB-CG 4.02Å; D671-R705 WeakPolarHBondContact OD1-CD 3.43Å; D671-R705 IonicContact OD1-CZ 3.79Å; D671-R705 IonicContact OD1-NE 3.09Å; D671-R705 PolarHBondContact OD1-NE 2.68Å; D671-R705 VanDerWaalsContact OD1-NE 3.1Å; D671-R705 IonicContact OD1-NH1 3.14Å; D671-R705 PolarHBondContact OD1-NH1 3.2Å; D671-R705 IonicContact OD1-NH2 2.73Å; I701-R705 WeakPolarHBondContact O-CB 3.4Å; I701-R705 PolarHBondContact O-N 3.06Å; V702-R705 PolarHBondContact O-N 3.41Å; W703-R705 VanDerWaalsContact C-N 3.33Å; R705-A707 VanDerWaalsContact C-N 3.33Å; R705-A707 PolarHBondContact O-N 3.21Å; R705-S708 VanDerWaalsContact CZ-CB 3.47Å; R705-S708 PolarHBondContact O-N 3.5Å; R705-S709 PolarHBondContact NE-OG 2.95Å; R705-S709 PolarHBondContact NH2-OG 2.9Å; R705-S709 WeakPolarHBondContact O-CB 3.28Å; R705-S709 PolarHBondContact O-N 3.44Å; R705-S709 PolarHBondContact O-OG 2.87Å; R705-S709 VanDerWaalsContact O-OG 3.1Å
706	V	98.6	Very high	97.4	Very high	1 Å²	1	28 Å²	28	1%	0.006	15%	0.151	C	C	.	.	H	α-helix	trans	-54.6	-50.9	172.1	169.5	0	0	0	0	110.1	I670 L694 V702 W703 S708 S709 I710	I670-V706 HydrophobicContact CD1-CG2 3.64Å; I670-V706 HydrophobicContact CG2-CG2 4.12Å; L694-V706 HydrophobicContact CD1-CG1 3.89Å; L694-V706 HydrophobicContact CD1-CG2 3.77Å; L694-V706 HydrophobicContact CD2-CG2 3.88Å; V702-V706 WeakPolarHBondContact O-CG2 3.44Å; V702-V706 PolarHBondContact O-N 2.87Å; W703-V706 HydrophobicContact CE3-CB 4.2Å; W703-V706 HydrophobicContact CE3-CG1 4.04Å; W703-V706 HydrophobicContact CZ3-CG1 4.03Å; W703-V706 PolarHBondContact O-N 3.09Å; V706-S708 PolarHBondContact O-N 3.49Å; V706-S709 PolarHBondContact O-N 3.46Å; V706-I710 HydrophobicContact CG1-CD1 4.31Å; V706-I710 HydrophobicContact CG1-CG2 4.08Å; V706-I710 VanDerWaalsContact O-CG1 3.3Å; V706-I710 WeakPolarHBondContact O-CG1 3.18Å; V706-I710 WeakPolarHBondContact O-CG2 3.49Å; V706-I710 PolarHBondContact O-N 3.06Å
707	A	98.4	Very high	97.2	Very high	21 Å²	21	21.5 Å²	21.5	17%	0.174	12%	0.12	C	C	.	.	H	α-helix	trans	-52.4	-45.2	-179.9	0	0	0	0	0	111.8	W703 S704 R705 A711 T758 I762	W703-A707 WeakPolarHBondContact O-CB 3.26Å; W703-A707 PolarHBondContact O-N 2.82Å; S704-A707 WeakPolarHBondContact O-CB 3.43Å; S704-A707 PolarHBondContact O-N 2.9Å; R705-A707 VanDerWaalsContact C-N 3.33Å; R705-A707 PolarHBondContact O-N 3.21Å; A707-A711 VanDerWaalsContact O-CB 3.26Å; A707-A711 WeakPolarHBondContact O-CB 3.45Å; A707-A711 PolarHBondContact O-N 2.64Å; A707-A711 VanDerWaalsContact O-N 3.11Å; A707-T758 HydrophobicContact CB-CG2 4.08Å; A707-I762 HydrophobicContact CB-CD1 3.9Å; A707-I762 HydrophobicContact CB-CG1 4Å
708	S	96.1	Very high	96.9	Very high	59 Å²	59	23.9 Å²	23.9	41%	0.413	14%	0.137	S	C	.	.	H	α-helix	trans	-73.2	-41.8	-178.6	-61.4	0	0	0	0	112.7	S704 R705 V706 A711	S704-S708 PolarHBondContact O-N 2.85Å; S704-S708 PolarHBondContact O-OG 2.9Å; R705-S708 VanDerWaalsContact CZ-CB 3.47Å; R705-S708 PolarHBondContact O-N 3.5Å; V706-S708 PolarHBondContact O-N 3.49Å; S708-A711 PolarHBondContact O-N 3.3Å
709	S	96.1	Very high	96.4	Very high	10 Å²	10	27.1 Å²	27.1	7%	0.07	15%	0.151	C	C	.	.	H	α-helix	trans	-68.7	-38.4	179.9	-60.8	0	0	0	0	112.4	R705 V706	R705-S709 PolarHBondContact NE-OG 2.95Å; R705-S709 PolarHBondContact NH2-OG 2.9Å; R705-S709 WeakPolarHBondContact O-CB 3.28Å; R705-S709 PolarHBondContact O-N 3.44Å; R705-S709 PolarHBondContact O-OG 2.87Å; R705-S709 VanDerWaalsContact O-OG 3.1Å; V706-S709 PolarHBondContact O-N 3.46Å
710	I	97.4	Very high	96.2	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-77.7	-24.8	177.4	76.5	177.8	0	0	0	112.1	F674 V706 Y712 V713 R714 F727 F731 I762 M766	F674-I710 HydrophobicContact CE1-CG2 4.47Å; F674-I710 HydrophobicContact CZ-CG2 4.46Å; V706-I710 HydrophobicContact CG1-CD1 4.31Å; V706-I710 HydrophobicContact CG1-CG2 4.08Å; V706-I710 VanDerWaalsContact O-CG1 3.3Å; V706-I710 WeakPolarHBondContact O-CG1 3.18Å; V706-I710 WeakPolarHBondContact O-CG2 3.49Å; V706-I710 PolarHBondContact O-N 3.06Å; I710-Y712 VanDerWaalsContact C-N 3.34Å; I710-Y712 PolarHBondContact O-N 2.93Å; I710-V713 PolarHBondContact O-N 3.47Å; I710-R714 WeakPolarHBondContact O-CB 3.37Å; I710-R714 PolarHBondContact O-N 3Å; I710-F727 HydrophobicContact CB-CZ 3.98Å; I710-F727 WeakPolarHBondContact O-CZ 3.42Å; I710-F731 HydrophobicContact CB-CE2 4.45Å; I710-F731 HydrophobicContact CB-CZ 4.38Å; I710-F731 HydrophobicContact CD1-CB 4.32Å; I710-F731 HydrophobicContact CD1-CD1 4.03Å; I710-F731 HydrophobicContact CD1-CG 4.05Å; I710-F731 HydrophobicContact CG2-CD1 3.99Å; I710-F731 HydrophobicContact CG2-CD2 4.47Å; I710-F731 HydrophobicContact CG2-CE1 3.47Å; I710-F731 VanDerWaalsContact CG2-CE1 3.47Å; I710-F731 HydrophobicContact CG2-CE2 4Å; I710-F731 HydrophobicContact CG2-CG 4.47Å; I710-F731 HydrophobicContact CG2-CZ 3.47Å; I710-F731 VanDerWaalsContact CG2-CZ 3.47Å; I710-I762 HydrophobicContact CD1-CG2 4.06Å; I710-M766 HydrophobicContact CD1-CE 4.43Å
711	A	96.3	Very high	95.9	Very high	21 Å²	21	31.8 Å²	31.8	17%	0.174	17%	0.173	C	C	.	.	H	α-helix	trans	-60.2	-42.7	178.6	0	0	0	0	0	111.9	A707 S708 R714 D715	A707-A711 VanDerWaalsContact O-CB 3.26Å; A707-A711 WeakPolarHBondContact O-CB 3.45Å; A707-A711 PolarHBondContact O-N 2.64Å; A707-A711 VanDerWaalsContact O-N 3.11Å; S708-A711 PolarHBondContact O-N 3.3Å; A711-R714 WeakPolarHBondContact O-CB 3.49Å; A711-R714 PolarHBondContact O-N 2.94Å; A711-D715 WeakPolarHBondContact O-CB 3.21Å; A711-D715 PolarHBondContact O-N 3.01Å
712	Y	95.5	Very high	95.5	Very high	34 Å²	34	37.2 Å²	37.2	13%	0.133	20%	0.202	C	C	.	.	H	α-helix	trans	-59.5	-52.8	176.3	177.9	-104.6	0	0	0	111.8	R678 I710 R714 D715 M716 N948 W951	R678-Y712 HydrophobicContact CG-CD1 4.33Å; R678-Y712 HydrophobicContact CG-CE1 3.74Å; R678-Y712 VanDerWaalsContact CZ-CE2 3.42Å; R678-Y712 VanDerWaalsContact NE-CE1 3.34Å; R678-Y712 PolarHBondContact NE-OH 3.05Å; I710-Y712 VanDerWaalsContact C-N 3.34Å; I710-Y712 PolarHBondContact O-N 2.93Å; Y712-R714 VanDerWaalsContact C-N 3.33Å; Y712-R714 PolarHBondContact O-N 3.06Å; Y712-D715 PolarHBondContact O-N 3.34Å; Y712-M716 HydrophobicContact CD1-CG 4.4Å; Y712-M716 HydrophobicContact CD2-CG 4.33Å; Y712-M716 HydrophobicContact CE1-CG 3.96Å; Y712-M716 HydrophobicContact CE2-CE 4.39Å; Y712-M716 HydrophobicContact CE2-CG 3.87Å; Y712-M716 HydrophobicContact CE2-SD 4.18Å; Y712-M716 WeakPolarHBondContact O-CG 3.48Å; Y712-M716 PolarHBondContact O-N 3.4Å; Y712-N948 WeakPolarHBondContact CE2-OD1 3.47Å; Y712-N948 PolarHBondContact OH-OD1 2.57Å; Y712-W951 AromaticContact CE1-CD1 3.98Å; Y712-W951 AromaticContact CE1-CD2 3.97Å; Y712-W951 HydrophobicContact CE1-CD2 3.97Å; Y712-W951 AromaticContact CE1-CE2 3.86Å; Y712-W951 HydrophobicContact CE1-CG 4.07Å; Y712-W951 HydrophobicContact CE1-CZ2 4.42Å; Y712-W951 AromaticContact CE1-NE1 3.83Å
713	V	96.9	Very high	95.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.6	-45	179.9	-177.6	0	0	0	0	110.3	F674 Y684 F688 I710 D715 M716 L717 F727 W951 I959	F674-V713 HydrophobicContact CD1-CG2 4.4Å; F674-V713 HydrophobicContact CE1-CG2 4.4Å; Y684-V713 HydrophobicContact CE1-CG2 3.86Å; F688-V713 HydrophobicContact CZ-CG1 4.26Å; I710-V713 PolarHBondContact O-N 3.47Å; V713-D715 PolarHBondContact O-N 3.12Å; V713-M716 PolarHBondContact O-N 3.1Å; V713-L717 HydrophobicContact CG1-CD1 3.7Å; V713-L717 HydrophobicContact CG1-CG 4.22Å; V713-L717 WeakPolarHBondContact O-CB 3.44Å; V713-L717 WeakPolarHBondContact O-CG 3.18Å; V713-L717 PolarHBondContact O-N 3.35Å; V713-F727 HydrophobicContact CB-CE2 3.91Å; V713-F727 HydrophobicContact CB-CZ 4.22Å; V713-F727 HydrophobicContact CG1-CD2 4.05Å; V713-F727 HydrophobicContact CG1-CE2 3.52Å; V713-F727 HydrophobicContact CG1-CZ 4.26Å; V713-W951 HydrophobicContact CG1-CH2 4.11Å; V713-W951 HydrophobicContact CG1-CZ2 4.42Å; V713-W951 HydrophobicContact CG2-CZ2 4.29Å; V713-I959 HydrophobicContact CG1-CD1 4.39Å
714	R	96	Very high	95.2	Very high	34 Å²	34	39.7 Å²	39.7	13%	0.128	21%	0.212	C	C	.	.	H	α-helix	trans	-53.1	-51.7	175.2	-179.9	-163.2	67.6	-145.8	-6.6	111.5	I710 A711 Y712 M716 L717 S718 Y724 F727 M766	I710-R714 WeakPolarHBondContact O-CB 3.37Å; I710-R714 PolarHBondContact O-N 3Å; A711-R714 WeakPolarHBondContact O-CB 3.49Å; A711-R714 PolarHBondContact O-N 2.94Å; Y712-R714 VanDerWaalsContact C-N 3.33Å; Y712-R714 PolarHBondContact O-N 3.06Å; R714-M716 VanDerWaalsContact C-N 3.35Å; R714-L717 PolarHBondContact O-N 3.02Å; R714-S718 PolarHBondContact O-N 3.12Å; R714-Y724 HydrophobicContact CG-CE2 3.5Å; R714-Y724 VanDerWaalsContact CG-CE2 3.5Å; R714-Y724 WeakPolarHBondContact O-CE2 3.46Å; R714-F727 HydrophobicContact CB-CD1 4.43Å; R714-F727 HydrophobicContact CB-CE1 3.6Å; R714-F727 HydrophobicContact CB-CZ 3.99Å; R714-F727 HydrophobicContact CG-CE1 4.1Å; R714-M766 HydrophobicContact CG-CE 4.2Å
715	D	94.4	Very high	95	Very high	54 Å²	54	44.6 Å²	44.6	29%	0.289	23%	0.232	S	C	.	.	H	α-helix	trans	-66.9	-40.1	-174.2	-66.6	-11.4	0	0	0	110.7	A711 Y712 V713 L717 S718	A711-D715 WeakPolarHBondContact O-CB 3.21Å; A711-D715 PolarHBondContact O-N 3.01Å; Y712-D715 PolarHBondContact O-N 3.34Å; V713-D715 PolarHBondContact O-N 3.12Å; D715-L717 PolarHBondContact O-N 3.49Å; D715-S718 WeakPolarHBondContact O-CB 3.33Å; D715-S718 PolarHBondContact O-N 2.72Å; D715-S718 PolarHBondContact O-OG 2.93Å
716	M	95.6	Very high	95	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.015	24%	0.242	C	C	.	.	H	α-helix	trans	-62.9	-41.4	174.9	-68.8	-56.5	97.3	0	0	112.7	Y712 V713 R714 S718 N913 N948 W951 I952	Y712-M716 HydrophobicContact CD1-CG 4.4Å; Y712-M716 HydrophobicContact CD2-CG 4.33Å; Y712-M716 HydrophobicContact CE1-CG 3.96Å; Y712-M716 HydrophobicContact CE2-CE 4.39Å; Y712-M716 HydrophobicContact CE2-CG 3.87Å; Y712-M716 HydrophobicContact CE2-SD 4.18Å; Y712-M716 WeakPolarHBondContact O-CG 3.48Å; Y712-M716 PolarHBondContact O-N 3.4Å; V713-M716 PolarHBondContact O-N 3.1Å; R714-M716 VanDerWaalsContact C-N 3.35Å; M716-S718 VanDerWaalsContact C-N 3.34Å; M716-S718 PolarHBondContact O-N 2.94Å; M716-N913 HydrophobicContact CE-CB 4.12Å; M716-N913 PolarHBondContact O-ND2 3.06Å; M716-N913 HydrophobicContact SD-CB 3.74Å; M716-N948 HydrophobicContact CE-CB 4.31Å; M716-N948 HydrophobicContact SD-CB 3.61Å; M716-N948 VanDerWaalsContact SD-CG 3.59Å; M716-W951 HydrophobicContact CB-CE3 3.71Å; M716-W951 HydrophobicContact CB-CH2 4.08Å; M716-W951 HydrophobicContact CB-CZ3 3.34Å; M716-W951 HydrophobicContact CG-CD2 4.46Å; M716-W951 HydrophobicContact CG-CE3 3.82Å; M716-W951 HydrophobicContact CG-CZ3 3.94Å; M716-I952 HydrophobicContact CB-CD1 3.95Å; M716-I952 WeakPolarHBondContact O-CD1 3.23Å
717	L	95.1	Very high	95	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-81.8	-8.8	-178.1	-61	-178.6	0	0	0	114.2	V713 R714 D715 N719 N720 L723 Y724 F727 W951 E956 I959	V713-L717 HydrophobicContact CG1-CD1 3.7Å; V713-L717 HydrophobicContact CG1-CG 4.22Å; V713-L717 WeakPolarHBondContact O-CB 3.44Å; V713-L717 WeakPolarHBondContact O-CG 3.18Å; V713-L717 PolarHBondContact O-N 3.35Å; R714-L717 PolarHBondContact O-N 3.02Å; D715-L717 PolarHBondContact O-N 3.49Å; L717-N719 PolarHBondContact O-N 3.38Å; L717-N720 PolarHBondContact O-N 3.39Å; L717-L723 HydrophobicContact CD1-CD2 4.31Å; L717-L723 HydrophobicContact CD1-CG 4.23Å; L717-L723 HydrophobicContact CD2-CD2 3.63Å; L717-L723 HydrophobicContact CD2-CG 4.36Å; L717-L723 HydrophobicContact CG-CD2 4.46Å; L717-Y724 HydrophobicContact CB-CD2 4.47Å; L717-F727 HydrophobicContact CD1-CB 4.42Å; L717-F727 HydrophobicContact CD1-CD2 4.11Å; L717-F727 HydrophobicContact CD1-CG 4.39Å; L717-W951 HydrophobicContact CD2-CH2 4.23Å; L717-W951 HydrophobicContact CD2-CZ3 4.16Å; L717-W951 HydrophobicContact CG-CH2 4.48Å; L717-E956 HydrophobicContact CD2-CG 4.4Å; L717-I959 HydrophobicContact CD1-CG2 3.96Å
718	S	90.7	Very high	94.9	Very high	53 Å²	53	47.1 Å²	47.1	37%	0.371	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-26.4	-170.9	63.7	0	0	0	0	115.3	R714 D715 M716	R714-S718 PolarHBondContact O-N 3.12Å; D715-S718 WeakPolarHBondContact O-CB 3.33Å; D715-S718 PolarHBondContact O-N 2.72Å; D715-S718 PolarHBondContact O-OG 2.93Å; M716-S718 VanDerWaalsContact C-N 3.34Å; M716-S718 PolarHBondContact O-N 2.94Å
719	N	88.6	Confident	95	Very high	114 Å²	114	47.8 Å²	47.8	61%	0.61	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-17.9	177.9	-72	-35.4	0	0	0	113.7	L717	L717-N719 PolarHBondContact O-N 3.38Å
720	N	93.3	Very high	95.1	Very high	47 Å²	47	48.2 Å²	48.2	25%	0.251	24%	0.238	S	C	.	.			trans	-98.5	92.2	175.1	-175.3	-22	0	0	0	109.9	L717 D722 L723 Y724 E956	L717-N720 PolarHBondContact O-N 3.39Å; N720-D722 PolarHBondContact O-N 2.92Å; N720-D722 PolarHBondContact OD1-N 3.26Å; N720-L723 HydrophobicContact CB-CB 4.11Å; N720-L723 PolarHBondContact O-N 3.4Å; N720-L723 PolarHBondContact OD1-N 2.96Å; N720-Y724 WeakPolarHBondContact O-CB 3.42Å; N720-Y724 PolarHBondContact O-N 3.26Å; N720-E956 PolarHBondContact ND2-OE1 2.91Å
721	K	91.8	Very high	95.2	Very high	160 Å²	160	48.3 Å²	48.3	70%	0.696	24%	0.238	S	C	*	.	H	α-helix	trans	-54.7	-46.4	-174	-67.4	-174.9	177.9	-177.1	0	113.6	L723 Y724 E725	K721-L723 VanDerWaalsContact C-N 3.33Å; K721-L723 PolarHBondContact O-N 3.32Å; K721-Y724 PolarHBondContact O-N 3.21Å; K721-E725 WeakPolarHBondContact O-CG 3.3Å; K721-E725 PolarHBondContact O-N 3.41Å
722	D	91.1	Very high	95.3	Very high	124 Å²	124	51 Å²	51	66%	0.663	24%	0.243	S	C	*	.	H	α-helix	trans	-64	-40.9	-176.4	-64.4	-17	0	0	0	111.4	N720	N720-D722 PolarHBondContact O-N 2.92Å; N720-D722 PolarHBondContact OD1-N 3.26Å
723	L	94.3	Very high	95.4	Very high	5 Å²	5	53.1 Å²	53.1	3%	0.026	25%	0.254	C	S	.	.	H	α-helix	trans	-74.7	-40.6	179.1	-171.9	56.9	0	0	0	111.7	L717 N720 K721 E725 K726 F727 E956 I959 K960 L963	L717-L723 HydrophobicContact CD1-CD2 4.31Å; L717-L723 HydrophobicContact CD1-CG 4.23Å; L717-L723 HydrophobicContact CD2-CD2 3.63Å; L717-L723 HydrophobicContact CD2-CG 4.36Å; L717-L723 HydrophobicContact CG-CD2 4.46Å; N720-L723 HydrophobicContact CB-CB 4.11Å; N720-L723 PolarHBondContact O-N 3.4Å; N720-L723 PolarHBondContact OD1-N 2.96Å; K721-L723 VanDerWaalsContact C-N 3.33Å; K721-L723 PolarHBondContact O-N 3.32Å; L723-E725 PolarHBondContact O-N 3.49Å; L723-K726 PolarHBondContact O-N 2.92Å; L723-F727 PolarHBondContact O-N 3.1Å; L723-E956 HydrophobicContact CD2-CG 3.74Å; L723-I959 HydrophobicContact CD1-CG2 4.33Å; L723-I959 HydrophobicContact CD2-CG2 4.43Å; L723-K960 HydrophobicContact CD1-CB 3.86Å; L723-K960 HydrophobicContact CD1-CG 4.17Å; L723-K960 HydrophobicContact CD2-CB 4.29Å; L723-L963 HydrophobicContact CD1-CB 4.4Å; L723-L963 HydrophobicContact CD1-CD1 3.51Å; L723-L963 HydrophobicContact CG-CD1 4.34Å
724	Y	95.7	Very high	95.5	Very high	49 Å²	49	53.4 Å²	53.4	19%	0.192	26%	0.256	C	S	.	.	H	α-helix	trans	-60.9	-42.4	178.3	-172.1	-106.6	0	0	0	112.1	R714 L717 N720 K721 K726 F727 Q728	R714-Y724 HydrophobicContact CG-CE2 3.5Å; R714-Y724 VanDerWaalsContact CG-CE2 3.5Å; R714-Y724 WeakPolarHBondContact O-CE2 3.46Å; L717-Y724 HydrophobicContact CB-CD2 4.47Å; N720-Y724 WeakPolarHBondContact O-CB 3.42Å; N720-Y724 PolarHBondContact O-N 3.26Å; K721-Y724 PolarHBondContact O-N 3.21Å; Y724-K726 VanDerWaalsContact C-N 3.33Å; Y724-K726 PolarHBondContact O-N 3.41Å; Y724-F727 PolarHBondContact O-N 3.33Å; Y724-Q728 HydrophobicContact CD1-CG 4.08Å; Y724-Q728 HydrophobicContact CE1-CG 3.74Å; Y724-Q728 HydrophobicContact CE2-CG 4.5Å; Y724-Q728 WeakPolarHBondContact O-CB 3.31Å; Y724-Q728 WeakPolarHBondContact O-CG 3.46Å; Y724-Q728 PolarHBondContact O-N 3.42Å
725	E	96	Very high	95.6	Very high	124 Å²	124	51.8 Å²	51.8	58%	0.579	25%	0.25	S	C	*	.	H	α-helix	trans	-62.4	-38.8	177.2	-76.1	-179.2	-175.5	0	0	112.4	K721 L723 Q728 K729	K721-E725 WeakPolarHBondContact O-CG 3.3Å; K721-E725 PolarHBondContact O-N 3.41Å; L723-E725 PolarHBondContact O-N 3.49Å; E725-Q728 PolarHBondContact O-N 3.13Å; E725-K729 WeakPolarHBondContact O-CB 3.39Å; E725-K729 PolarHBondContact O-N 2.89Å
726	K	97.1	Very high	95.8	Very high	64 Å²	64	51.6 Å²	51.6	28%	0.278	25%	0.247	S	C	.	.	H	α-helix	trans	-68.6	-42.5	175.3	-67.2	-173.2	-178.7	-161.5	0	112.3	L723 Y724 Q728 K729 L730 L963 D964 V967	L723-K726 PolarHBondContact O-N 2.92Å; Y724-K726 VanDerWaalsContact C-N 3.33Å; Y724-K726 PolarHBondContact O-N 3.41Å; K726-Q728 VanDerWaalsContact C-N 3.35Å; K726-K729 PolarHBondContact O-N 2.74Å; K726-L730 PolarHBondContact O-N 3.02Å; K726-L963 HydrophobicContact CB-CB 4.28Å; K726-L963 HydrophobicContact CB-CD1 4.45Å; K726-L963 HydrophobicContact CD-CB 4.48Å; K726-D964 IonicContact NZ-OD1 2.69Å; K726-D964 PolarHBondContact NZ-OD1 3.43Å; K726-V967 HydrophobicContact CB-CG1 4.42Å
727	F	97.8	Very high	95.9	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-58.9	-47.5	173.7	176.4	-87.4	0	0	0	111.2	I710 V713 R714 L717 L723 Y724 K729 L730 F731 M766 L963	I710-F727 HydrophobicContact CB-CZ 3.98Å; I710-F727 WeakPolarHBondContact O-CZ 3.42Å; V713-F727 HydrophobicContact CB-CE2 3.91Å; V713-F727 HydrophobicContact CB-CZ 4.22Å; V713-F727 HydrophobicContact CG1-CD2 4.05Å; V713-F727 HydrophobicContact CG1-CE2 3.52Å; V713-F727 HydrophobicContact CG1-CZ 4.26Å; R714-F727 HydrophobicContact CB-CD1 4.43Å; R714-F727 HydrophobicContact CB-CE1 3.6Å; R714-F727 HydrophobicContact CB-CZ 3.99Å; R714-F727 HydrophobicContact CG-CE1 4.1Å; L717-F727 HydrophobicContact CD1-CB 4.42Å; L717-F727 HydrophobicContact CD1-CD2 4.11Å; L717-F727 HydrophobicContact CD1-CG 4.39Å; L723-F727 PolarHBondContact O-N 3.1Å; Y724-F727 PolarHBondContact O-N 3.33Å; F727-K729 VanDerWaalsContact C-N 3.32Å; F727-K729 PolarHBondContact O-N 3.31Å; F727-L730 PolarHBondContact O-N 3Å; F727-F731 HydrophobicContact CD1-CD2 4.3Å; F727-F731 HydrophobicContact CD2-CD2 4.07Å; F727-F731 AromaticContact CD2-CE2 3.88Å; F727-F731 HydrophobicContact CD2-CE2 3.88Å; F727-F731 AromaticContact CE1-CD2 3.94Å; F727-F731 HydrophobicContact CE1-CD2 3.94Å; F727-F731 HydrophobicContact CE1-CE2 4.39Å; F727-F731 AromaticContact CE2-CD2 3.72Å; F727-F731 HydrophobicContact CE2-CD2 3.72Å; F727-F731 AromaticContact CE2-CE2 3.36Å; F727-F731 HydrophobicContact CE2-CE2 3.36Å; F727-F731 HydrophobicContact CE2-CZ 4.47Å; F727-F731 HydrophobicContact CG-CD2 4.37Å; F727-F731 AromaticContact CZ-CD2 3.66Å; F727-F731 HydrophobicContact CZ-CD2 3.66Å; F727-F731 AromaticContact CZ-CE2 3.67Å; F727-F731 HydrophobicContact CZ-CE2 3.67Å; F727-F731 PolarHBondContact O-N 2.89Å; F727-M766 HydrophobicContact CD1-SD 4.2Å; F727-M766 HydrophobicContact CE1-CE 4.09Å; F727-M766 HydrophobicContact CE1-SD 3.92Å; F727-L963 HydrophobicContact CB-CD1 4.22Å
728	Q	97.8	Very high	96.1	Very high	32 Å²	32	54.2 Å²	54.2	15%	0.15	26%	0.263	C	S	.	.	H	α-helix	trans	-59.1	-43.3	175.1	-77.7	-168.7	-49.5	0	0	111.5	Y724 E725 K726 R732 Q765 M766	Y724-Q728 HydrophobicContact CD1-CG 4.08Å; Y724-Q728 HydrophobicContact CE1-CG 3.74Å; Y724-Q728 HydrophobicContact CE2-CG 4.5Å; Y724-Q728 WeakPolarHBondContact O-CB 3.31Å; Y724-Q728 WeakPolarHBondContact O-CG 3.46Å; Y724-Q728 PolarHBondContact O-N 3.42Å; E725-Q728 PolarHBondContact O-N 3.13Å; K726-Q728 VanDerWaalsContact C-N 3.35Å; Q728-R732 WeakPolarHBondContact O-CB 3.43Å; Q728-R732 PolarHBondContact O-N 3.29Å; Q728-Q765 PolarHBondContact NE2-O 3.21Å; Q728-M766 HydrophobicContact CG-SD 4.28Å
729	K	97.9	Very high	96.5	Very high	72 Å²	72	52 Å²	52	31%	0.313	25%	0.248	S	C	.	.	H	α-helix	trans	-59.3	-48.1	177.9	-179.1	170.9	179.4	171.1	0	112	E725 K726 F727 R732 E733 V967 S968	E725-K729 WeakPolarHBondContact O-CB 3.39Å; E725-K729 PolarHBondContact O-N 2.89Å; K726-K729 PolarHBondContact O-N 2.74Å; F727-K729 VanDerWaalsContact C-N 3.32Å; F727-K729 PolarHBondContact O-N 3.31Å; K729-R732 PolarHBondContact O-N 2.87Å; K729-E733 WeakPolarHBondContact CE-OE1 3.47Å; K729-E733 WeakPolarHBondContact O-CG 3.41Å; K729-E733 PolarHBondContact O-N 3.21Å; K729-V967 HydrophobicContact CB-CG1 4.06Å; K729-V967 HydrophobicContact CD-CG1 3.88Å; K729-V967 HydrophobicContact CG-CG1 3.97Å; K729-S968 WeakPolarHBondContact CE-O 3.43Å; K729-S968 PolarHBondContact NZ-O 3.34Å
730	L	98.2	Very high	96.9	Very high	20 Å²	20	51 Å²	51	11%	0.105	25%	0.246	C	C	.	.	H	α-helix	trans	-53.9	-59.6	178.4	175.8	63.1	0	0	0	111.5	K726 F727 R732 E733 L734 W962 L963 V967	K726-L730 PolarHBondContact O-N 3.02Å; F727-L730 PolarHBondContact O-N 3Å; L730-R732 VanDerWaalsContact C-N 3.35Å; L730-R732 PolarHBondContact O-N 3.33Å; L730-E733 PolarHBondContact O-N 3.38Å; L730-L734 HydrophobicContact CD1-CD1 4.09Å; L730-L734 HydrophobicContact CD1-CG 4.39Å; L730-L734 HydrophobicContact CG-CD1 4.13Å; L730-L734 WeakPolarHBondContact O-CG 3.25Å; L730-L734 PolarHBondContact O-N 3.32Å; L730-W962 HydrophobicContact CD2-CH2 4.23Å; L730-W962 HydrophobicContact CD2-CZ3 3.79Å; L730-L963 HydrophobicContact CD2-CD2 4.01Å; L730-V967 HydrophobicContact CB-CG2 4.02Å; L730-V967 HydrophobicContact CD1-CG2 4.29Å
731	F	98.4	Very high	97.1	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.009	26%	0.261	C	S	.	.	H	α-helix	trans	-73.7	-26.9	-173.2	-74.6	-71.6	0	0	0	113.2	F688 T691 I710 F727 E733 L734 V735 M766	F688-F731 HydrophobicContact CD1-CZ 4.42Å; F688-F731 HydrophobicContact CE1-CE2 4.5Å; T691-F731 HydrophobicContact CG2-CE1 4.11Å; T691-F731 HydrophobicContact CG2-CZ 4.32Å; I710-F731 HydrophobicContact CB-CE2 4.45Å; I710-F731 HydrophobicContact CB-CZ 4.38Å; I710-F731 HydrophobicContact CD1-CB 4.32Å; I710-F731 HydrophobicContact CD1-CD1 4.03Å; I710-F731 HydrophobicContact CD1-CG 4.05Å; I710-F731 HydrophobicContact CG2-CD1 3.99Å; I710-F731 HydrophobicContact CG2-CD2 4.47Å; I710-F731 HydrophobicContact CG2-CE1 3.47Å; I710-F731 VanDerWaalsContact CG2-CE1 3.47Å; I710-F731 HydrophobicContact CG2-CE2 4Å; I710-F731 HydrophobicContact CG2-CG 4.47Å; I710-F731 HydrophobicContact CG2-CZ 3.47Å; I710-F731 VanDerWaalsContact CG2-CZ 3.47Å; F727-F731 HydrophobicContact CD1-CD2 4.3Å; F727-F731 HydrophobicContact CD2-CD2 4.07Å; F727-F731 AromaticContact CD2-CE2 3.88Å; F727-F731 HydrophobicContact CD2-CE2 3.88Å; F727-F731 AromaticContact CE1-CD2 3.94Å; F727-F731 HydrophobicContact CE1-CD2 3.94Å; F727-F731 HydrophobicContact CE1-CE2 4.39Å; F727-F731 AromaticContact CE2-CD2 3.72Å; F727-F731 HydrophobicContact CE2-CD2 3.72Å; F727-F731 AromaticContact CE2-CE2 3.36Å; F727-F731 HydrophobicContact CE2-CE2 3.36Å; F727-F731 HydrophobicContact CE2-CZ 4.47Å; F727-F731 HydrophobicContact CG-CD2 4.37Å; F727-F731 AromaticContact CZ-CD2 3.66Å; F727-F731 HydrophobicContact CZ-CD2 3.66Å; F727-F731 AromaticContact CZ-CE2 3.67Å; F727-F731 HydrophobicContact CZ-CE2 3.67Å; F727-F731 PolarHBondContact O-N 2.89Å; F731-E733 VanDerWaalsContact C-N 3.35Å; F731-L734 HydrophobicContact CD1-CD1 3.95Å; F731-L734 HydrophobicContact CE1-CD1 4.04Å; F731-L734 PolarHBondContact O-N 2.92Å; F731-V735 WeakPolarHBondContact O-CB 3.27Å; F731-V735 VanDerWaalsContact O-CG1 3.31Å; F731-V735 WeakPolarHBondContact O-CG1 3.4Å; F731-V735 PolarHBondContact O-N 3.42Å; F731-M766 HydrophobicContact CB-CG 3.78Å; F731-M766 HydrophobicContact CB-SD 3.73Å
732	R	98.5	Very high	97.4	Very high	77 Å²	77	48.9 Å²	48.9	29%	0.291	23%	0.232	S	C	.	.	H	α-helix	trans	-59	-47.6	168.3	-172.6	-170.1	-43.6	170.9	13.6	111	Q728 K729 L730 K736 M766 D768	Q728-R732 WeakPolarHBondContact O-CB 3.43Å; Q728-R732 PolarHBondContact O-N 3.29Å; K729-R732 PolarHBondContact O-N 2.87Å; L730-R732 VanDerWaalsContact C-N 3.35Å; L730-R732 PolarHBondContact O-N 3.33Å; R732-K736 VanDerWaalsContact O-CB 3.32Å; R732-K736 WeakPolarHBondContact O-CB 3.39Å; R732-K736 PolarHBondContact O-N 3.01Å; R732-M766 HydrophobicContact CB-CB 3.91Å; R732-M766 PolarHBondContact NE-O 3.05Å; R732-M766 PolarHBondContact NH2-O 3.21Å; R732-D768 HydrophobicContact CG-CB 3.97Å
733	E	97.9	Very high	97.7	Very high	79 Å²	79	44 Å²	44	37%	0.369	21%	0.21	S	C	.	.	H	α-helix	trans	-68.7	-33.6	-179.8	-72.3	-175.4	-163.2	0	0	113.1	R695 K729 L730 F731	R695-E733 IonicContact NH2-OE2 3.62Å; R695-E733 PolarHBondContact NH2-OE2 3.45Å; K729-E733 WeakPolarHBondContact CE-OE1 3.47Å; K729-E733 WeakPolarHBondContact O-CG 3.41Å; K729-E733 PolarHBondContact O-N 3.21Å; L730-E733 PolarHBondContact O-N 3.38Å; F731-E733 VanDerWaalsContact C-N 3.35Å
734	L	98.5	Very high	97.9	Very high	6 Å²	6	45.6 Å²	45.6	3%	0.031	22%	0.216	C	C	.	.	H	α-helix	trans	-70	-42.4	176.6	-66.6	176.6	0	0	0	112.3	L694 R695 L730 F731 P737	L694-L734 HydrophobicContact CB-CB 4.24Å; L694-L734 HydrophobicContact CD1-CD1 4.38Å; R695-L734 HydrophobicContact CG-CD2 3.91Å; L730-L734 HydrophobicContact CD1-CD1 4.09Å; L730-L734 HydrophobicContact CD1-CG 4.39Å; L730-L734 HydrophobicContact CG-CD1 4.13Å; L730-L734 WeakPolarHBondContact O-CG 3.25Å; L730-L734 PolarHBondContact O-N 3.32Å; F731-L734 HydrophobicContact CD1-CD1 3.95Å; F731-L734 HydrophobicContact CE1-CD1 4.04Å; F731-L734 PolarHBondContact O-N 2.92Å; L734-P737 WeakPolarHBondContact O-CD 3.36Å
735	V	98.7	Very high	97.8	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-82.2	-21.3	-177.9	78.4	0	0	0	0	113.6	W703 F731 P737 I738 A739 V759 I762 A763	W703-V735 HydrophobicContact CE3-CG2 4.39Å; W703-V735 HydrophobicContact CH2-CB 3.94Å; W703-V735 HydrophobicContact CH2-CG2 3.96Å; W703-V735 HydrophobicContact CZ3-CB 4.04Å; W703-V735 HydrophobicContact CZ3-CG2 3.86Å; F731-V735 WeakPolarHBondContact O-CB 3.27Å; F731-V735 VanDerWaalsContact O-CG1 3.31Å; F731-V735 WeakPolarHBondContact O-CG1 3.4Å; F731-V735 PolarHBondContact O-N 3.42Å; V735-P737 VanDerWaalsContact C-CD 3.45Å; V735-I738 HydrophobicContact CG2-CG2 3.92Å; V735-I738 WeakPolarHBondContact O-CG2 3.38Å; V735-I738 PolarHBondContact O-N 2.86Å; V735-A739 WeakPolarHBondContact O-CB 3.41Å; V735-A739 PolarHBondContact O-N 2.97Å; V735-V759 HydrophobicContact CG2-CB 3.71Å; V735-V759 HydrophobicContact CG2-CG1 4.22Å; V735-V759 WeakPolarHBondContact CG2-O 3.31Å; V735-I762 HydrophobicContact CB-CG2 4.02Å; V735-I762 HydrophobicContact CG1-CG2 3.98Å; V735-I762 HydrophobicContact CG2-CB 4.11Å; V735-I762 HydrophobicContact CG2-CD1 4.48Å; V735-I762 HydrophobicContact CG2-CG2 4.07Å; V735-A763 HydrophobicContact CG1-CB 4.04Å
736	K	98.4	Very high	97.8	Very high	51 Å²	51	41.7 Å²	41.7	22%	0.222	21%	0.205	C	C	.	.	H	α-helix	trans	-51.2	-47.3	-174.1	-169.9	69.4	172.8	-166.7	0	113.7	R732 I738 A739 T740 D768 D770	R732-K736 VanDerWaalsContact O-CB 3.32Å; R732-K736 WeakPolarHBondContact O-CB 3.39Å; R732-K736 PolarHBondContact O-N 3.01Å; K736-I738 PolarHBondContact O-N 3.24Å; K736-A739 PolarHBondContact O-N 2.88Å; K736-T740 WeakPolarHBondContact O-CB 3.5Å; K736-T740 PolarHBondContact O-N 3.45Å; K736-T740 PolarHBondContact O-OG1 2.87Å; K736-T740 VanDerWaalsContact O-OG1 3.09Å; K736-D768 WeakPolarHBondContact CD-OD2 3.48Å; K736-D768 IonicContact NZ-OD1 3.68Å; K736-D768 PolarHBondContact NZ-OD1 3.36Å; K736-D768 IonicContact NZ-OD2 2.63Å; K736-D768 PolarHBondContact NZ-OD2 3.13Å; K736-D770 IonicContact NZ-OD2 3.64Å; K736-D770 PolarHBondContact NZ-OD2 3.23Å
737	P	98.6	Very high	97.7	Very high	54 Å²	54	44.6 Å²	44.6	35%	0.351	22%	0.219	S	C	.	.	H	α-helix	trans	-59.7	-47.1	-176.6	-23.6	35.4	0	0	0	112.8	R695 L734 V735 R741	R695-P737 HydrophobicContact CB-CG 4.29Å; R695-P737 HydrophobicContact CG-CG 4.43Å; L734-P737 WeakPolarHBondContact O-CD 3.36Å; V735-P737 VanDerWaalsContact C-CD 3.45Å; P737-R741 VanDerWaalsContact O-CB 3.3Å; P737-R741 WeakPolarHBondContact O-CB 3.48Å; P737-R741 PolarHBondContact O-N 3.43Å
738	I	98.6	Very high	97.6	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.026	24%	0.241	C	C	.	.	H	α-helix	trans	-70.8	-40.4	-179.3	-175.2	61.3	0	0	0	111.9	W703 V735 K736 T740 R741 L742 L755 V759	W703-I738 HydrophobicContact CH2-CG2 4.27Å; W703-I738 HydrophobicContact CZ2-CG2 3.57Å; V735-I738 HydrophobicContact CG2-CG2 3.92Å; V735-I738 WeakPolarHBondContact O-CG2 3.38Å; V735-I738 PolarHBondContact O-N 2.86Å; K736-I738 PolarHBondContact O-N 3.24Å; I738-T740 PolarHBondContact O-N 3.25Å; I738-R741 PolarHBondContact O-N 3.17Å; I738-L742 HydrophobicContact CD1-CD1 3.92Å; I738-L742 HydrophobicContact CD1-CG 4Å; I738-L742 HydrophobicContact CG1-CD1 4.02Å; I738-L742 HydrophobicContact CG1-CG 4.43Å; I738-L742 WeakPolarHBondContact O-CG 3.47Å; I738-L742 PolarHBondContact O-N 2.92Å; I738-L755 HydrophobicContact CD1-CD2 4.28Å; I738-V759 HydrophobicContact CG1-CG1 4.04Å; I738-V759 HydrophobicContact CG1-CG2 4.29Å; I738-V759 HydrophobicContact CG2-CB 4Å; I738-V759 HydrophobicContact CG2-CG1 3.78Å; I738-V759 HydrophobicContact CG2-CG2 4.39Å
739	A	98.5	Very high	97.5	Very high	6 Å²	6	49 Å²	49	5%	0.05	26%	0.257	C	S	.	.	H	α-helix	trans	-62.1	-43.8	176.3	0	0	0	0	0	111.7	V735 K736 G743 V759 L760 A763	V735-A739 WeakPolarHBondContact O-CB 3.41Å; V735-A739 PolarHBondContact O-N 2.97Å; K736-A739 PolarHBondContact O-N 2.88Å; A739-G743 PolarHBondContact O-N 3.17Å; A739-V759 HydrophobicContact CB-CG2 4.32Å; A739-L760 HydrophobicContact CB-CD2 4.14Å; A739-A763 HydrophobicContact CB-CB 4.25Å
740	T	97.9	Very high	97.4	Very high	93 Å²	93	46.3 Å²	46.3	57%	0.571	25%	0.246	S	C	*	.	H	α-helix	trans	-66.6	-40.3	175.3	-63.9	0	0	0	0	111.9	K736 I738	K736-T740 WeakPolarHBondContact O-CB 3.5Å; K736-T740 PolarHBondContact O-N 3.45Å; K736-T740 PolarHBondContact O-OG1 2.87Å; K736-T740 VanDerWaalsContact O-OG1 3.09Å; I738-T740 PolarHBondContact O-N 3.25Å
741	R	97.6	Very high	97.3	Very high	150 Å²	150	47.4 Å²	47.4	57%	0.566	25%	0.253	S	S	*	.	H	α-helix	trans	-62.9	-43.8	178.3	-178.8	171.3	70.4	95.9	-10.1	112.4	S698 P737 I738	S698-R741 VanDerWaalsContact CB-NH2 3.34Å; P737-R741 VanDerWaalsContact O-CB 3.3Å; P737-R741 WeakPolarHBondContact O-CB 3.48Å; P737-R741 PolarHBondContact O-N 3.43Å; I738-R741 PolarHBondContact O-N 3.17Å
742	L	97.9	Very high	97.3	Very high	14 Å²	14	51 Å²	51	7%	0.073	27%	0.27	C	S	.	.	H	α-helix	trans	-79.5	-31.3	-177.9	-66.4	178.1	0	0	0	112.8	I738 L755 R756 V759	I738-L742 HydrophobicContact CD1-CD1 3.92Å; I738-L742 HydrophobicContact CD1-CG 4Å; I738-L742 HydrophobicContact CG1-CD1 4.02Å; I738-L742 HydrophobicContact CG1-CG 4.43Å; I738-L742 WeakPolarHBondContact O-CG 3.47Å; I738-L742 PolarHBondContact O-N 2.92Å; L742-L755 HydrophobicContact CD1-CB 4.38Å; L742-L755 HydrophobicContact CD1-CD2 3.82Å; L742-L755 HydrophobicContact CD1-CG 3.69Å; L742-R756 HydrophobicContact CB-CB 4.16Å; L742-R756 HydrophobicContact CB-CG 4.04Å; L742-R756 HydrophobicContact CD1-CB 4.02Å; L742-R756 PolarHBondContact O-NE 3.42Å; L742-R756 PolarHBondContact O-NH2 2.88Å; L742-R756 VanDerWaalsContact O-NH2 3.15Å; L742-V759 HydrophobicContact CD1-CG2 3.92Å
743	G	97.1	Very high	97.3	Very high	20 Å²	20	51.1 Å²	51.1	21%	0.206	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	-178.5	175	0	0	0	0	0	114.7	A739 T745 R756	A739-G743 PolarHBondContact O-N 3.17Å; G743-T745 VanDerWaalsContact C-N 3.33Å; G743-T745 PolarHBondContact O-N 2.92Å; G743-R756 WeakPolarHBondContact O-CD 3.47Å; G743-R756 PolarHBondContact O-NE 3.18Å
744	W	97.7	Very high	97.3	Very high	39 Å²	39	47.7 Å²	47.7	15%	0.148	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	50.2	179.2	-70.2	77.8	0	0	0	112	L760 A771 E774 A775 I778 L794 L797 V798	W744-L760 HydrophobicContact CD2-CD1 3.95Å; W744-L760 HydrophobicContact CE3-CD1 4.33Å; W744-L760 HydrophobicContact CG-CD1 4.21Å; W744-L760 HydrophobicContact CZ2-CB 4.42Å; W744-L760 HydrophobicContact CZ2-CD1 4.4Å; W744-L760 HydrophobicContact CZ2-CD2 4.26Å; W744-A771 HydrophobicContact CZ2-CB 4.09Å; W744-A771 WeakPolarHBondContact CZ2-O 3.31Å; W744-E774 HydrophobicContact CB-CG 3.84Å; W744-E774 HydrophobicContact CD2-CB 4.22Å; W744-E774 HydrophobicContact CD2-CG 3.81Å; W744-E774 HydrophobicContact CG-CB 4.22Å; W744-E774 HydrophobicContact CG-CG 3.45Å; W744-E774 VanDerWaalsContact CG-CG 3.45Å; W744-A775 HydrophobicContact CH2-CB 3.51Å; W744-A775 HydrophobicContact CZ2-CB 4.16Å; W744-A775 HydrophobicContact CZ3-CB 3.93Å; W744-I778 HydrophobicContact CB-CD1 4.15Å; W744-I778 HydrophobicContact CD2-CD1 4.38Å; W744-I778 HydrophobicContact CE3-CD1 3.89Å; W744-L794 HydrophobicContact CB-CD1 4.12Å; W744-L794 HydrophobicContact CE3-CB 4.49Å; W744-L794 HydrophobicContact CE3-CD1 4.27Å; W744-L794 HydrophobicContact CE3-CD2 4.28Å; W744-L794 VanDerWaalsContact O-CD1 3.27Å; W744-L794 WeakPolarHBondContact O-CD1 3.38Å; W744-L797 HydrophobicContact CH2-CB 4.11Å; W744-L797 HydrophobicContact CZ3-CB 4.11Å; W744-V798 HydrophobicContact CE3-CG2 4.29Å; W744-V798 HydrophobicContact CZ3-CG2 3.86Å
745	T	94.8	Very high	97.3	Very high	59 Å²	59	47.7 Å²	47.7	36%	0.362	26%	0.255	S	S	.	.	S	Bend	trans	-119.6	165.9	173.4	61.5	0	0	0	0	110.7	G743 R756	G743-T745 VanDerWaalsContact C-N 3.33Å; G743-T745 PolarHBondContact O-N 2.92Å; T745-R756 WeakPolarHBondContact O-CD 3.38Å; T745-R756 PolarHBondContact O-NE 3.19Å; T745-R756 PolarHBondContact O-NH1 2.91Å
746	D	94.8	Very high	97.3	Very high	33 Å²	33	48.3 Å²	48.3	18%	0.176	26%	0.257	C	S	.	.			trans	-112.8	58.7	-178.7	-163.2	-3.2	0	0	0	112.8	R753 P791 V792 N793	D746-R753 PolarHBondContact O-NH2 3.25Å; D746-R753 IonicContact OD1-CZ 3.94Å; D746-R753 IonicContact OD1-NE 3.86Å; D746-R753 PolarHBondContact OD1-NE 2.68Å; D746-R753 VanDerWaalsContact OD1-NE 3.09Å; D746-P791 HydrophobicContact CB-CB 3.58Å; D746-V792 WeakPolarHBondContact OD2-CG2 3.4Å; D746-V792 PolarHBondContact OD2-N 2.62Å; D746-V792 VanDerWaalsContact OD2-N 3.13Å; D746-N793 PolarHBondContact OD1-ND2 3.4Å; D746-N793 PolarHBondContact OD2-N 2.89Å; D746-N793 PolarHBondContact OD2-ND2 3.47Å
747	E	95.3	Very high	97.3	Very high	125 Å²	125	47.5 Å²	47.5	58%	0.584	25%	0.254	S	S	*	.			trans	-116.1	164.2	-174.1	-62.5	176.1	175.4	0	0	111.9	R756	E747-R756 PolarHBondContact O-NH1 2.95Å; E747-R756 PolarHBondContact O-NH2 2.84Å
748	G	96.1	Very high	97.3	Very high	44 Å²	44	46 Å²	46	45%	0.454	24%	0.244	S	C	.	.	S	Bend	trans	93.7	-175.7	177.6	0	0	0	0	0	114.2	E752	G748-E752 VanDerWaalsContact CA-OE2 3.29Å; G748-E752 WeakPolarHBondContact CA-OE2 3.3Å
749	T	96.8	Very high	97.3	Very high	79 Å²	79	45.8 Å²	45.8	49%	0.485	24%	0.243	S	C	.	.			trans	-67.9	168.8	178.1	60.5	0	0	0	0	112.2	T751 E752 R753	T749-T751 VanDerWaalsContact C-N 3.28Å; T749-T751 PolarHBondContact O-N 3.39Å; T749-E752 PolarHBondContact N-OE2 2.84Å; T749-E752 PolarHBondContact O-N 3.19Å; T749-E752 WeakPolarHBondContact OG1-CB 3.37Å; T749-E752 VanDerWaalsContact OG1-CG 3.29Å; T749-E752 WeakPolarHBondContact OG1-CG 3.42Å; T749-E752 PolarHBondContact OG1-N 3.21Å; T749-E752 PolarHBondContact OG1-OE2 3.49Å; T749-R753 WeakPolarHBondContact O-CG 3.35Å; T749-R753 PolarHBondContact O-N 3.33Å
750	Q	95.6	Very high	97.3	Very high	17 Å²	17	45.6 Å²	45.6	8%	0.079	24%	0.241	C	C	.	.	H	α-helix	trans	-50.3	-50.8	172.1	177.1	76	-2.6	0	0	111.1	S388 W441 R753 L754	S388-Q750 PolarHBondContact O-NE2 3.09Å; S388-Q750 PolarHBondContact OG-OE1 2.78Å; W441-Q750 HydrophobicContact CD2-CG 3.89Å; W441-Q750 HydrophobicContact CG-CB 4.38Å; W441-Q750 HydrophobicContact CG-CG 3.94Å; W441-Q750 HydrophobicContact CZ2-CG 4.21Å; Q750-R753 PolarHBondContact O-N 3.12Å; Q750-L754 HydrophobicContact CG-CD1 4.23Å; Q750-L754 WeakPolarHBondContact O-CG 3.17Å; Q750-L754 PolarHBondContact O-N 3.34Å
751	T	96.5	Very high	97.3	Very high	42 Å²	42	42.1 Å²	42.1	26%	0.258	22%	0.22	S	C	.	.	H	α-helix	trans	-64.9	-41.1	-178.1	-50.5	0	0	0	0	112.2	Y700 T749 R753 L754 L755	Y700-T751 HydrophobicContact CD1-CG2 4.11Å; Y700-T751 HydrophobicContact CG-CG2 4.14Å; T749-T751 VanDerWaalsContact C-N 3.28Å; T749-T751 PolarHBondContact O-N 3.39Å; T751-R753 VanDerWaalsContact C-N 3.33Å; T751-R753 PolarHBondContact O-N 3.43Å; T751-L754 PolarHBondContact O-N 2.84Å; T751-L755 VanDerWaalsContact O-CB 3.32Å; T751-L755 WeakPolarHBondContact O-CB 3.33Å; T751-L755 PolarHBondContact O-N 3.07Å
752	E	97.9	Very high	97.4	Very high	78 Å²	78	35 Å²	35	36%	0.364	19%	0.194	S	C	.	.	H	α-helix	trans	-65.1	-35.6	176	-73.7	169.7	132.4	0	0	112.5	G748 T749 R756	G748-E752 VanDerWaalsContact CA-OE2 3.29Å; G748-E752 WeakPolarHBondContact CA-OE2 3.3Å; T749-E752 PolarHBondContact N-OE2 2.84Å; T749-E752 PolarHBondContact O-N 3.19Å; T749-E752 WeakPolarHBondContact OG1-CB 3.37Å; T749-E752 VanDerWaalsContact OG1-CG 3.29Å; T749-E752 WeakPolarHBondContact OG1-CG 3.42Å; T749-E752 PolarHBondContact OG1-N 3.21Å; T749-E752 PolarHBondContact OG1-OE2 3.49Å; E752-R756 WeakPolarHBondContact O-CB 3.33Å; E752-R756 PolarHBondContact O-N 3.4Å
753	R	98.1	Very high	97.4	Very high	79 Å²	79	34.4 Å²	34.4	30%	0.298	19%	0.19	S	C	.	.	H	α-helix	trans	-68	-43.2	175.7	-74	166.2	164.3	171.2	1.9	112.2	S388 D746 T749 Q750 T751 R756 E757 N793	S388-R753 WeakPolarHBondContact OG-CD 3.39Å; D746-R753 PolarHBondContact O-NH2 3.25Å; D746-R753 IonicContact OD1-CZ 3.94Å; D746-R753 IonicContact OD1-NE 3.86Å; D746-R753 PolarHBondContact OD1-NE 2.68Å; D746-R753 VanDerWaalsContact OD1-NE 3.09Å; T749-R753 WeakPolarHBondContact O-CG 3.35Å; T749-R753 PolarHBondContact O-N 3.33Å; Q750-R753 PolarHBondContact O-N 3.12Å; T751-R753 VanDerWaalsContact C-N 3.33Å; T751-R753 PolarHBondContact O-N 3.43Å; R753-R756 PolarHBondContact O-N 2.7Å; R753-E757 PolarHBondContact O-N 2.79Å; R753-N793 WeakPolarHBondContact CD-ND2 3.31Å
754	L	98.1	Very high	97.5	Very high	8 Å²	8	33.6 Å²	33.6	4%	0.042	18%	0.182	C	C	.	.	H	α-helix	trans	-64.2	-42	174.4	-67.3	171.4	0	0	0	111.7	Y700 Q750 T751 E757 T758	Y700-L754 HydrophobicContact CD1-CB 4.34Å; Y700-L754 HydrophobicContact CD1-CD1 4.44Å; Y700-L754 HydrophobicContact CD2-CB 3.98Å; Y700-L754 HydrophobicContact CE1-CB 4Å; Y700-L754 HydrophobicContact CE1-CD1 3.82Å; Y700-L754 HydrophobicContact CE2-CB 3.66Å; Y700-L754 HydrophobicContact CG-CB 4.33Å; Q750-L754 HydrophobicContact CG-CD1 4.23Å; Q750-L754 WeakPolarHBondContact O-CG 3.17Å; Q750-L754 PolarHBondContact O-N 3.34Å; T751-L754 PolarHBondContact O-N 2.84Å; L754-E757 PolarHBondContact O-N 3.12Å; L754-T758 WeakPolarHBondContact O-CB 3.3Å; L754-T758 PolarHBondContact O-N 3.37Å; L754-T758 PolarHBondContact O-OG1 2.87Å
755	L	98.6	Very high	97.4	Very high	6 Å²	6	33.7 Å²	33.7	3%	0.031	18%	0.184	C	C	.	.	H	α-helix	trans	-60.5	-47.4	173	174.7	64.9	0	0	0	111	S698 Y700 W703 I738 L742 T751 E757 T758 V759	S698-L755 WeakPolarHBondContact O-CD2 3.45Å; Y700-L755 HydrophobicContact CD2-CB 4.21Å; W703-L755 HydrophobicContact CB-CD1 3.69Å; W703-L755 HydrophobicContact CG-CD1 3.8Å; I738-L755 HydrophobicContact CD1-CD2 4.28Å; L742-L755 HydrophobicContact CD1-CB 4.38Å; L742-L755 HydrophobicContact CD1-CD2 3.82Å; L742-L755 HydrophobicContact CD1-CG 3.69Å; T751-L755 VanDerWaalsContact O-CB 3.32Å; T751-L755 WeakPolarHBondContact O-CB 3.33Å; T751-L755 PolarHBondContact O-N 3.07Å; L755-E757 PolarHBondContact O-N 3.01Å; L755-T758 WeakPolarHBondContact O-CB 3.49Å; L755-T758 PolarHBondContact O-N 3.45Å; L755-T758 VanDerWaalsContact O-N 3.12Å; L755-V759 HydrophobicContact CD1-CG1 3.62Å; L755-V759 HydrophobicContact CG-CG1 4.29Å; L755-V759 WeakPolarHBondContact O-CG2 3.44Å; L755-V759 PolarHBondContact O-N 3.27Å
756	R	98.6	Very high	97.6	Very high	12 Å²	12	30.9 Å²	30.9	5%	0.045	17%	0.166	C	C	.	.	H	α-helix	trans	-55.7	-50.9	177.8	-179.6	-176.3	-71.1	121	2.8	111.1	L742 G743 T745 E747 E752 R753 T758 V759 L760 L794	L742-R756 HydrophobicContact CB-CB 4.16Å; L742-R756 HydrophobicContact CB-CG 4.04Å; L742-R756 HydrophobicContact CD1-CB 4.02Å; L742-R756 PolarHBondContact O-NE 3.42Å; L742-R756 PolarHBondContact O-NH2 2.88Å; L742-R756 VanDerWaalsContact O-NH2 3.15Å; G743-R756 WeakPolarHBondContact O-CD 3.47Å; G743-R756 PolarHBondContact O-NE 3.18Å; T745-R756 WeakPolarHBondContact O-CD 3.38Å; T745-R756 PolarHBondContact O-NE 3.19Å; T745-R756 PolarHBondContact O-NH1 2.91Å; E747-R756 PolarHBondContact O-NH1 2.95Å; E747-R756 PolarHBondContact O-NH2 2.84Å; E752-R756 WeakPolarHBondContact O-CB 3.33Å; E752-R756 PolarHBondContact O-N 3.4Å; R753-R756 PolarHBondContact O-N 2.7Å; R756-T758 VanDerWaalsContact C-N 3.27Å; R756-T758 PolarHBondContact O-N 3.47Å; R756-V759 PolarHBondContact O-N 2.88Å; R756-L760 HydrophobicContact CG-CD1 3.67Å; R756-L760 HydrophobicContact CG-CG 4.2Å; R756-L760 VanDerWaalsContact O-CB 3.29Å; R756-L760 WeakPolarHBondContact O-CB 3.46Å; R756-L760 VanDerWaalsContact O-CG 3.24Å; R756-L760 WeakPolarHBondContact O-CG 3.36Å; R756-L760 PolarHBondContact O-N 3.48Å; R756-L794 HydrophobicContact CG-CD2 4.41Å
757	E	98	Very high	97.7	Very high	35 Å²	35	30.4 Å²	30.4	16%	0.164	17%	0.169	C	C	.	.	H	α-helix	trans	-56	-45.6	176.9	-175.5	-178.8	173.7	0	0	110.9	R753 L754 L755 S761 L797	R753-E757 PolarHBondContact O-N 2.79Å; L754-E757 PolarHBondContact O-N 3.12Å; L755-E757 PolarHBondContact O-N 3.01Å; E757-S761 VanDerWaalsContact O-CB 3.23Å; E757-S761 WeakPolarHBondContact O-CB 3.42Å; E757-S761 PolarHBondContact O-N 2.87Å; E757-L797 HydrophobicContact CG-CD1 4.4Å
758	T	98.5	Very high	97.8	Very high	23 Å²	23	25.2 Å²	25.2	14%	0.141	15%	0.145	C	C	.	.	H	α-helix	trans	-62.6	-52.6	-179.1	-58	0	0	0	0	112.1	W703 A707 L754 L755 R756 S761 I762	W703-T758 HydrophobicContact CB-CG2 4.38Å; A707-T758 HydrophobicContact CB-CG2 4.08Å; L754-T758 WeakPolarHBondContact O-CB 3.3Å; L754-T758 PolarHBondContact O-N 3.37Å; L754-T758 PolarHBondContact O-OG1 2.87Å; L755-T758 WeakPolarHBondContact O-CB 3.49Å; L755-T758 PolarHBondContact O-N 3.45Å; L755-T758 VanDerWaalsContact O-N 3.12Å; R756-T758 VanDerWaalsContact C-N 3.27Å; R756-T758 PolarHBondContact O-N 3.47Å; T758-S761 WeakPolarHBondContact O-CB 3.33Å; T758-S761 PolarHBondContact O-N 3.01Å; T758-I762 HydrophobicContact CG2-CD1 4.43Å; T758-I762 WeakPolarHBondContact O-CG1 3.25Å; T758-I762 PolarHBondContact O-N 3.38Å
759	V	98.8	Very high	97.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-72	-34.1	-175.1	-58.7	0	0	0	0	112.6	W703 V735 I738 A739 L742 L755 R756 S761 I762 A763	W703-V759 HydrophobicContact CB-CG1 4.16Å; W703-V759 HydrophobicContact CD2-CG1 3.91Å; W703-V759 HydrophobicContact CE3-CG1 4.36Å; W703-V759 HydrophobicContact CG-CG1 3.81Å; V735-V759 HydrophobicContact CG2-CB 3.71Å; V735-V759 HydrophobicContact CG2-CG1 4.22Å; V735-V759 WeakPolarHBondContact CG2-O 3.31Å; I738-V759 HydrophobicContact CG1-CG1 4.04Å; I738-V759 HydrophobicContact CG1-CG2 4.29Å; I738-V759 HydrophobicContact CG2-CB 4Å; I738-V759 HydrophobicContact CG2-CG1 3.78Å; I738-V759 HydrophobicContact CG2-CG2 4.39Å; A739-V759 HydrophobicContact CB-CG2 4.32Å; L742-V759 HydrophobicContact CD1-CG2 3.92Å; L755-V759 HydrophobicContact CD1-CG1 3.62Å; L755-V759 HydrophobicContact CG-CG1 4.29Å; L755-V759 WeakPolarHBondContact O-CG2 3.44Å; L755-V759 PolarHBondContact O-N 3.27Å; R756-V759 PolarHBondContact O-N 2.88Å; V759-S761 VanDerWaalsContact C-N 3.34Å; V759-I762 PolarHBondContact O-N 3.02Å; V759-A763 WeakPolarHBondContact O-CB 3.48Å; V759-A763 PolarHBondContact O-N 3.21Å
760	L	98.8	Very high	97.9	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-68.4	-36.5	172.9	-69.3	179.7	0	0	0	111.3	A739 W744 R756 A763 C764 L794 L797	A739-L760 HydrophobicContact CB-CD2 4.14Å; W744-L760 HydrophobicContact CD2-CD1 3.95Å; W744-L760 HydrophobicContact CE3-CD1 4.33Å; W744-L760 HydrophobicContact CG-CD1 4.21Å; W744-L760 HydrophobicContact CZ2-CB 4.42Å; W744-L760 HydrophobicContact CZ2-CD1 4.4Å; W744-L760 HydrophobicContact CZ2-CD2 4.26Å; R756-L760 HydrophobicContact CG-CD1 3.67Å; R756-L760 HydrophobicContact CG-CG 4.2Å; R756-L760 VanDerWaalsContact O-CB 3.29Å; R756-L760 WeakPolarHBondContact O-CB 3.46Å; R756-L760 VanDerWaalsContact O-CG 3.24Å; R756-L760 WeakPolarHBondContact O-CG 3.36Å; R756-L760 PolarHBondContact O-N 3.48Å; L760-A763 PolarHBondContact O-N 3.19Å; L760-C764 PolarHBondContact O-N 3.16Å; L760-C764 PolarHBondContact O-SG 3.23Å; L760-L794 HydrophobicContact CD1-CD2 3.6Å; L760-L797 HydrophobicContact CB-CD1 3.58Å; L760-L797 HydrophobicContact CD1-CD1 4.42Å
761	S	98.3	Very high	98.1	Very high	20 Å²	20	26.2 Å²	26.2	14%	0.14	15%	0.146	C	C	.	.	H	α-helix	trans	-60.4	-48	172.4	-169.5	0	0	0	0	111.4	E757 T758 V759 A763 C764 Q765	E757-S761 VanDerWaalsContact O-CB 3.23Å; E757-S761 WeakPolarHBondContact O-CB 3.42Å; E757-S761 PolarHBondContact O-N 2.87Å; T758-S761 WeakPolarHBondContact O-CB 3.33Å; T758-S761 PolarHBondContact O-N 3.01Å; V759-S761 VanDerWaalsContact C-N 3.34Å; S761-A763 PolarHBondContact O-N 3.05Å; S761-C764 PolarHBondContact O-N 3.39Å; S761-Q765 WeakPolarHBondContact O-CB 3.42Å; S761-Q765 WeakPolarHBondContact O-CG 3.45Å; S761-Q765 PolarHBondContact O-N 2.84Å; S761-Q765 PolarHBondContact OG-NE2 3.46Å
762	I	98.6	Very high	98.2	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-57.9	-48.4	174.7	-63.7	167.8	0	0	0	110	W703 A707 I710 V735 T758 V759 C764 Q765 M766	W703-I762 HydrophobicContact CE3-CD1 3.71Å; W703-I762 HydrophobicContact CZ3-CD1 4.09Å; A707-I762 HydrophobicContact CB-CD1 3.9Å; A707-I762 HydrophobicContact CB-CG1 4Å; I710-I762 HydrophobicContact CD1-CG2 4.06Å; V735-I762 HydrophobicContact CB-CG2 4.02Å; V735-I762 HydrophobicContact CG1-CG2 3.98Å; V735-I762 HydrophobicContact CG2-CB 4.11Å; V735-I762 HydrophobicContact CG2-CD1 4.48Å; V735-I762 HydrophobicContact CG2-CG2 4.07Å; T758-I762 HydrophobicContact CG2-CD1 4.43Å; T758-I762 WeakPolarHBondContact O-CG1 3.25Å; T758-I762 PolarHBondContact O-N 3.38Å; V759-I762 PolarHBondContact O-N 3.02Å; I762-C764 VanDerWaalsContact C-N 3.35Å; I762-C764 PolarHBondContact O-N 3.33Å; I762-Q765 PolarHBondContact O-N 3Å; I762-Q765 VanDerWaalsContact O-N 3.14Å; I762-M766 HydrophobicContact CG2-CG 3.97Å; I762-M766 WeakPolarHBondContact O-CB 3.24Å; I762-M766 VanDerWaalsContact O-CG 3.24Å; I762-M766 WeakPolarHBondContact O-CG 3.43Å; I762-M766 PolarHBondContact O-N 2.87Å
763	A	98.8	Very high	98.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-56	-47	180	0	0	0	0	0	112.1	V735 A739 V759 L760 S761 M766 G767 D768 A771	V735-A763 HydrophobicContact CG1-CB 4.04Å; A739-A763 HydrophobicContact CB-CB 4.25Å; V759-A763 WeakPolarHBondContact O-CB 3.48Å; V759-A763 PolarHBondContact O-N 3.21Å; L760-A763 PolarHBondContact O-N 3.19Å; S761-A763 PolarHBondContact O-N 3.05Å; A763-M766 PolarHBondContact O-N 3.06Å; A763-G767 PolarHBondContact O-N 3Å; A763-D768 HydrophobicContact CB-CB 4.09Å; A763-D768 VanDerWaalsContact O-CB 3.26Å; A763-D768 WeakPolarHBondContact O-CB 3.46Å; A763-D768 PolarHBondContact O-N 3.32Å; A763-A771 HydrophobicContact CB-CB 3.94Å
764	C	98.4	Very high	98.2	Very high	4 Å²	4	25.7 Å²	25.7	3%	0.027	15%	0.148	C	C	.	.	H	α-helix	trans	-63.9	-41.5	176	-71.5	0	0	0	0	112.8	L760 S761 I762 M766 G767 L772 Y801	L760-C764 PolarHBondContact O-N 3.16Å; L760-C764 PolarHBondContact O-SG 3.23Å; S761-C764 PolarHBondContact O-N 3.39Å; I762-C764 VanDerWaalsContact C-N 3.35Å; I762-C764 PolarHBondContact O-N 3.33Å; C764-M766 VanDerWaalsContact C-N 3.31Å; C764-M766 PolarHBondContact O-N 2.67Å; C764-G767 PolarHBondContact O-N 3.43Å; C764-L772 HydrophobicContact CB-CD2 4.01Å; C764-Y801 HydrophobicContact CB-CD1 3.81Å; C764-Y801 HydrophobicContact CB-CD2 3.52Å; C764-Y801 HydrophobicContact CB-CE1 3.67Å; C764-Y801 HydrophobicContact CB-CE2 3.37Å; C764-Y801 HydrophobicContact CB-CG 3.75Å; C764-Y801 VanDerWaalsContact CB-CZ 3.46Å
765	Q	96.8	Very high	98.2	Very high	41 Å²	41	25.3 Å²	25.3	19%	0.192	15%	0.146	C	C	.	.	H	α-helix	trans	-65.1	-34.9	177.2	-69.1	168.9	-1.3	0	0	112.4	Q728 S761 I762 G767 Y801	Q728-Q765 PolarHBondContact NE2-O 3.21Å; S761-Q765 WeakPolarHBondContact O-CB 3.42Å; S761-Q765 WeakPolarHBondContact O-CG 3.45Å; S761-Q765 PolarHBondContact O-N 2.84Å; S761-Q765 PolarHBondContact OG-NE2 3.46Å; I762-Q765 PolarHBondContact O-N 3Å; I762-Q765 VanDerWaalsContact O-N 3.14Å; Q765-G767 PolarHBondContact O-N 3.22Å; Q765-Y801 WeakPolarHBondContact CG-OH 3.45Å
766	M	97.8	Very high	98.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	7.3	178.7	-61.3	-55.5	115.5	0	0	113.4	I710 R714 F727 Q728 F731 R732 I762 A763 C764	I710-M766 HydrophobicContact CD1-CE 4.43Å; R714-M766 HydrophobicContact CG-CE 4.2Å; F727-M766 HydrophobicContact CD1-SD 4.2Å; F727-M766 HydrophobicContact CE1-CE 4.09Å; F727-M766 HydrophobicContact CE1-SD 3.92Å; Q728-M766 HydrophobicContact CG-SD 4.28Å; F731-M766 HydrophobicContact CB-CG 3.78Å; F731-M766 HydrophobicContact CB-SD 3.73Å; R732-M766 HydrophobicContact CB-CB 3.91Å; R732-M766 PolarHBondContact NE-O 3.05Å; R732-M766 PolarHBondContact NH2-O 3.21Å; I762-M766 HydrophobicContact CG2-CG 3.97Å; I762-M766 WeakPolarHBondContact O-CB 3.24Å; I762-M766 VanDerWaalsContact O-CG 3.24Å; I762-M766 WeakPolarHBondContact O-CG 3.43Å; I762-M766 PolarHBondContact O-N 2.87Å; A763-M766 PolarHBondContact O-N 3.06Å; C764-M766 VanDerWaalsContact C-N 3.31Å; C764-M766 PolarHBondContact O-N 2.67Å
767	G	96.5	Very high	98.1	Very high	23 Å²	23	28.1 Å²	28.1	24%	0.237	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	30.7	174.8	0	0	0	0	0	113.8	A763 C764 Q765 A769	A763-G767 PolarHBondContact O-N 3Å; C764-G767 PolarHBondContact O-N 3.43Å; Q765-G767 PolarHBondContact O-N 3.22Å; G767-A769 PolarHBondContact O-N 3.22Å
768	D	98.4	Very high	98.1	Very high	15 Å²	15	27 Å²	27	8%	0.08	16%	0.157	C	C	.	.			trans	-65.1	116.7	172.5	-172.4	-109.6	0	0	0	110.6	R732 K736 A763 D770 A771 L772	R732-D768 HydrophobicContact CG-CB 3.97Å; K736-D768 WeakPolarHBondContact CD-OD2 3.48Å; K736-D768 IonicContact NZ-OD1 3.68Å; K736-D768 PolarHBondContact NZ-OD1 3.36Å; K736-D768 IonicContact NZ-OD2 2.63Å; K736-D768 PolarHBondContact NZ-OD2 3.13Å; A763-D768 HydrophobicContact CB-CB 4.09Å; A763-D768 VanDerWaalsContact O-CB 3.26Å; A763-D768 WeakPolarHBondContact O-CB 3.46Å; A763-D768 PolarHBondContact O-N 3.32Å; D768-D770 VanDerWaalsContact C-N 3.34Å; D768-D770 PolarHBondContact O-N 2.72Å; D768-D770 PolarHBondContact OD1-N 3.09Å; D768-A771 HydrophobicContact CB-CB 4Å; D768-A771 PolarHBondContact O-N 3.27Å; D768-A771 WeakPolarHBondContact OD1-CB 3.33Å; D768-A771 PolarHBondContact OD1-N 3.29Å; D768-L772 WeakPolarHBondContact O-CB 3.43Å; D768-L772 WeakPolarHBondContact O-CG 3.41Å; D768-L772 PolarHBondContact O-N 2.73Å
769	A	97.9	Very high	98.1	Very high	56 Å²	56	26 Å²	26	46%	0.463	15%	0.151	S	C	.	.	H	α-helix	trans	-63.5	-39.5	-174.6	0	0	0	0	0	112.1	G767 L772 N773	G767-A769 PolarHBondContact O-N 3.22Å; A769-L772 PolarHBondContact O-N 3.25Å; A769-N773 VanDerWaalsContact O-CB 3.23Å; A769-N773 WeakPolarHBondContact O-CB 3.48Å; A769-N773 PolarHBondContact O-N 3.06Å; A769-N773 PolarHBondContact O-ND2 3.29Å; A769-N773 VanDerWaalsContact O-ND2 3.1Å
770	D	97.7	Very high	98	Very high	102 Å²	102	30 Å²	30	55%	0.545	17%	0.168	S	C	.	.	H	α-helix	trans	-67	-46.2	-179.4	-56.1	-30.3	0	0	0	110.7	K736 D768 L772 N773 E774	K736-D770 IonicContact NZ-OD2 3.64Å; K736-D770 PolarHBondContact NZ-OD2 3.23Å; D768-D770 VanDerWaalsContact C-N 3.34Å; D768-D770 PolarHBondContact O-N 2.72Å; D768-D770 PolarHBondContact OD1-N 3.09Å; D770-L772 PolarHBondContact O-N 2.73Å; D770-N773 PolarHBondContact O-N 3.2Å; D770-E774 WeakPolarHBondContact O-CB 3.47Å; D770-E774 PolarHBondContact O-N 3.43Å
771	A	98.3	Very high	97.9	Very high	4 Å²	4	34.1 Å²	34.1	3%	0.033	19%	0.187	C	C	.	.	H	α-helix	trans	-62	-43.3	176.8	0	0	0	0	0	112.4	W744 A763 D768 A775	W744-A771 HydrophobicContact CZ2-CB 4.09Å; W744-A771 WeakPolarHBondContact CZ2-O 3.31Å; A763-A771 HydrophobicContact CB-CB 3.94Å; D768-A771 HydrophobicContact CB-CB 4Å; D768-A771 PolarHBondContact O-N 3.27Å; D768-A771 WeakPolarHBondContact OD1-CB 3.33Å; D768-A771 PolarHBondContact OD1-N 3.29Å; A771-A775 WeakPolarHBondContact O-CB 3.33Å; A771-A775 PolarHBondContact O-N 2.73Å
772	L	98.4	Very high	97.8	Very high	23 Å²	23	33.7 Å²	33.7	12%	0.12	18%	0.183	C	C	.	.	H	α-helix	trans	-67	-39.9	177.7	-72	172.9	0	0	0	112.5	C764 D768 A769 D770 S776 Y801	C764-L772 HydrophobicContact CB-CD2 4.01Å; D768-L772 WeakPolarHBondContact O-CB 3.43Å; D768-L772 WeakPolarHBondContact O-CG 3.41Å; D768-L772 PolarHBondContact O-N 2.73Å; A769-L772 PolarHBondContact O-N 3.25Å; D770-L772 PolarHBondContact O-N 2.73Å; L772-S776 VanDerWaalsContact O-CB 3.3Å; L772-S776 WeakPolarHBondContact O-CB 3.19Å; L772-S776 PolarHBondContact O-N 3.06Å; L772-Y801 HydrophobicContact CD2-CD1 3.93Å; L772-Y801 HydrophobicContact CD2-CG 4.19Å
773	N	97.9	Very high	97.7	Very high	81 Å²	81	33.6 Å²	33.6	43%	0.433	18%	0.182	S	C	.	.	H	α-helix	trans	-65.1	-45.7	176.7	-73.3	-24.1	0	0	0	110.8	A769 D770 A775 S776 D777	A769-N773 VanDerWaalsContact O-CB 3.23Å; A769-N773 WeakPolarHBondContact O-CB 3.48Å; A769-N773 PolarHBondContact O-N 3.06Å; A769-N773 PolarHBondContact O-ND2 3.29Å; A769-N773 VanDerWaalsContact O-ND2 3.1Å; D770-N773 PolarHBondContact O-N 3.2Å; N773-A775 PolarHBondContact O-N 3.16Å; N773-S776 CarbonylContact O-C 3.6Å; N773-S776 WeakPolarHBondContact O-CB 3.48Å; N773-S776 PolarHBondContact O-N 2.9Å; N773-D777 WeakPolarHBondContact O-CB 2.75Å; N773-D777 VanDerWaalsContact O-CG 3.26Å; N773-D777 PolarHBondContact O-N 3.45Å
774	E	98.1	Very high	97.4	Very high	84 Å²	84	38 Å²	38	39%	0.393	21%	0.206	S	C	.	.	H	α-helix	trans	-62	-45.8	178.1	-166.9	63.2	-150.7	0	0	111.5	W744 D770 S776 D777 I778	W744-E774 HydrophobicContact CB-CG 3.84Å; W744-E774 HydrophobicContact CD2-CB 4.22Å; W744-E774 HydrophobicContact CD2-CG 3.81Å; W744-E774 HydrophobicContact CG-CB 4.22Å; W744-E774 HydrophobicContact CG-CG 3.45Å; W744-E774 VanDerWaalsContact CG-CG 3.45Å; D770-E774 WeakPolarHBondContact O-CB 3.47Å; D770-E774 PolarHBondContact O-N 3.43Å; E774-S776 VanDerWaalsContact C-N 3.3Å; E774-S776 PolarHBondContact O-N 3Å; E774-D777 PolarHBondContact O-N 3.4Å; E774-I778 HydrophobicContact CG-CD1 4.01Å; E774-I778 VanDerWaalsContact O-CG1 3.3Å; E774-I778 WeakPolarHBondContact O-CG1 3.09Å; E774-I778 PolarHBondContact O-N 2.97Å
775	A	98.2	Very high	97.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57	-44.3	174.2	0	0	0	0	0	112.1	W744 A771 N773 F779	W744-A775 HydrophobicContact CH2-CB 3.51Å; W744-A775 HydrophobicContact CZ2-CB 4.16Å; W744-A775 HydrophobicContact CZ3-CB 3.93Å; A771-A775 WeakPolarHBondContact O-CB 3.33Å; A771-A775 PolarHBondContact O-N 2.73Å; N773-A775 PolarHBondContact O-N 3.16Å; A775-F779 WeakPolarHBondContact O-CB 3.37Å; A775-F779 PolarHBondContact O-N 3.45Å
776	S	97.5	Very high	96.9	Very high	6 Å²	6	48.6 Å²	48.6	4%	0.042	26%	0.26	C	S	.	.	H	α-helix	trans	-63.4	-42.6	176.8	152.7	0	0	0	0	112.1	L772 N773 E774 F779 K780	L772-S776 VanDerWaalsContact O-CB 3.3Å; L772-S776 WeakPolarHBondContact O-CB 3.19Å; L772-S776 PolarHBondContact O-N 3.06Å; N773-S776 CarbonylContact O-C 3.6Å; N773-S776 WeakPolarHBondContact O-CB 3.48Å; N773-S776 PolarHBondContact O-N 2.9Å; E774-S776 VanDerWaalsContact C-N 3.3Å; E774-S776 PolarHBondContact O-N 3Å; S776-F779 PolarHBondContact O-N 3.07Å; S776-K780 WeakPolarHBondContact O-CB 3.33Å; S776-K780 VanDerWaalsContact O-CG 3.28Å; S776-K780 WeakPolarHBondContact O-CG 3.29Å; S776-K780 PolarHBondContact O-N 3.21Å; S776-K780 VanDerWaalsContact OG-CE 3.29Å; S776-K780 WeakPolarHBondContact OG-CE 3.43Å; S776-K780 PolarHBondContact OG-NZ 3.34Å; S776-K780 VanDerWaalsContact OG-NZ 3.13Å
777	D	97.6	Very high	96.7	Very high	70 Å²	70	50.9 Å²	50.9	37%	0.374	27%	0.272	S	S	.	.	H	α-helix	trans	-73.7	-40.7	-175	-71.8	-9.8	0	0	0	111.5	N773 E774 F779 K780 Q781	N773-D777 WeakPolarHBondContact O-CB 2.75Å; N773-D777 VanDerWaalsContact O-CG 3.26Å; N773-D777 PolarHBondContact O-N 3.45Å; E774-D777 PolarHBondContact O-N 3.4Å; D777-F779 VanDerWaalsContact C-N 3.32Å; D777-K780 PolarHBondContact O-N 3.19Å; D777-K780 IonicContact OD1-NZ 3.35Å; D777-Q781 WeakPolarHBondContact O-CB 3.47Å; D777-Q781 VanDerWaalsContact O-CG 3.24Å; D777-Q781 WeakPolarHBondContact O-CG 3.1Å; D777-Q781 PolarHBondContact O-N 3.13Å; D777-Q781 PolarHBondContact O-NE2 3.4Å
778	I	98.2	Very high	96.3	Very high	13 Å²	13	55.4 Å²	55.4	7%	0.067	30%	0.3	C	S	.	.	H	α-helix	trans	-61.8	-43.5	170.7	-62	168.3	0	0	0	109.9	W744 E774 Q781 W782 L787 V790 V798	W744-I778 HydrophobicContact CB-CD1 4.15Å; W744-I778 HydrophobicContact CD2-CD1 4.38Å; W744-I778 HydrophobicContact CE3-CD1 3.89Å; E774-I778 HydrophobicContact CG-CD1 4.01Å; E774-I778 VanDerWaalsContact O-CG1 3.3Å; E774-I778 WeakPolarHBondContact O-CG1 3.09Å; E774-I778 PolarHBondContact O-N 2.97Å; I778-Q781 PolarHBondContact O-N 3.38Å; I778-W782 WeakPolarHBondContact O-CB 3.35Å; I778-W782 PolarHBondContact O-N 3.11Å; I778-L787 HydrophobicContact CG2-CD2 3.81Å; I778-V790 HydrophobicContact CG2-CG1 4.13Å; I778-V790 HydrophobicContact CG2-CG2 4.07Å; I778-V798 HydrophobicContact CB-CG1 4.18Å; I778-V798 HydrophobicContact CB-CG2 4.11Å; I778-V798 HydrophobicContact CD1-CG2 4.34Å; I778-V798 HydrophobicContact CG2-CG1 3.87Å; I778-V798 HydrophobicContact CG2-CG2 3.86Å
779	F	98.3	Very high	96.1	Very high	1 Å²	1	56.8 Å²	56.8	0%	0.004	31%	0.311	C	S	.	.	H	α-helix	trans	-61.2	-47.8	178.8	174.9	-108.5	0	0	0	112.4	A775 S776 D777 W782 I783 V798 G802 M803 H811 M815	A775-F779 WeakPolarHBondContact O-CB 3.37Å; A775-F779 PolarHBondContact O-N 3.45Å; S776-F779 PolarHBondContact O-N 3.07Å; D777-F779 VanDerWaalsContact C-N 3.32Å; F779-W782 HydrophobicContact CD2-CE3 4.04Å; F779-W782 HydrophobicContact CD2-CZ3 4.33Å; F779-W782 AromaticContact CE2-CE3 3.96Å; F779-W782 HydrophobicContact CE2-CE3 3.96Å; F779-W782 AromaticContact CE2-CZ3 3.88Å; F779-W782 HydrophobicContact CE2-CZ3 3.88Å; F779-W782 PolarHBondContact O-N 3.2Å; F779-I783 HydrophobicContact CE1-CG2 4.32Å; F779-I783 HydrophobicContact CE2-CB 4.28Å; F779-I783 HydrophobicContact CE2-CD1 4.38Å; F779-I783 HydrophobicContact CZ-CB 4.17Å; F779-I783 HydrophobicContact CZ-CD1 4.36Å; F779-I783 HydrophobicContact CZ-CG1 4.25Å; F779-I783 HydrophobicContact CZ-CG2 4.4Å; F779-I783 WeakPolarHBondContact O-CB 3.15Å; F779-I783 WeakPolarHBondContact O-CG2 3.4Å; F779-I783 PolarHBondContact O-N 3.28Å; F779-V798 HydrophobicContact CB-CG1 3.72Å; F779-V798 HydrophobicContact CD2-CG1 4.44Å; F779-G802 VanDerWaalsContact CD1-C 3.42Å; F779-G802 WeakPolarHBondContact CD1-O 3.18Å; F779-M803 HydrophobicContact CE2-CE 4.36Å; F779-M803 HydrophobicContact CZ-CE 3.71Å; F779-H811 HydrophobicContact CE1-CB 4.13Å; F779-H811 HydrophobicContact CZ-CB 4.15Å; F779-M815 HydrophobicContact CD2-CE 4.2Å; F779-M815 HydrophobicContact CE2-CE 3.31Å; F779-M815 HydrophobicContact CZ-CE 3.97Å
780	K	96.6	Very high	96	Very high	85 Å²	85	54.1 Å²	54.1	37%	0.37	29%	0.289	S	S	.	.	H	α-helix	trans	-59.5	-47.5	176.9	-74.7	169.4	-169.3	163.3	0	111	S776 D777 W782 I783 D784	S776-K780 WeakPolarHBondContact O-CB 3.33Å; S776-K780 VanDerWaalsContact O-CG 3.28Å; S776-K780 WeakPolarHBondContact O-CG 3.29Å; S776-K780 PolarHBondContact O-N 3.21Å; S776-K780 VanDerWaalsContact OG-CE 3.29Å; S776-K780 WeakPolarHBondContact OG-CE 3.43Å; S776-K780 PolarHBondContact OG-NZ 3.34Å; S776-K780 VanDerWaalsContact OG-NZ 3.13Å; D777-K780 PolarHBondContact O-N 3.19Å; D777-K780 IonicContact OD1-NZ 3.35Å; K780-W782 VanDerWaalsContact C-N 3.28Å; K780-W782 PolarHBondContact O-N 3.06Å; K780-I783 WeakPolarHBondContact O-CG2 3.46Å; K780-I783 PolarHBondContact O-N 2.97Å; K780-D784 WeakPolarHBondContact O-CB 3.39Å; K780-D784 VanDerWaalsContact O-CG 3.31Å; K780-D784 PolarHBondContact O-N 2.79Å
781	Q	96.9	Very high	95.9	Very high	88 Å²	88	51.5 Å²	51.5	41%	0.411	28%	0.277	S	S	.	.	H	α-helix	trans	-59.6	-41.2	177.6	-70.6	172	60	0	0	112.1	D777 I778 K785 T786 L787	D777-Q781 WeakPolarHBondContact O-CB 3.47Å; D777-Q781 VanDerWaalsContact O-CG 3.24Å; D777-Q781 WeakPolarHBondContact O-CG 3.1Å; D777-Q781 PolarHBondContact O-N 3.13Å; D777-Q781 PolarHBondContact O-NE2 3.4Å; I778-Q781 PolarHBondContact O-N 3.38Å; Q781-K785 PolarHBondContact O-N 2.97Å; Q781-K785 VanDerWaalsContact O-N 3.17Å; Q781-T786 WeakPolarHBondContact CA-OG1 3.24Å; Q781-T786 WeakPolarHBondContact CB-OG1 3.47Å; Q781-T786 PolarHBondContact O-N 3.49Å; Q781-T786 PolarHBondContact O-OG1 3.08Å; Q781-T786 VanDerWaalsContact O-OG1 3.08Å; Q781-L787 HydrophobicContact CB-CB 3.75Å; Q781-L787 PolarHBondContact O-N 3.42Å
782	W	96.9	Very high	95.8	Very high	10 Å²	10	52.2 Å²	52.2	4%	0.038	28%	0.281	C	S	.	.	H	α-helix	trans	-70.4	-45.4	179	173.1	78.1	0	0	0	113.3	I778 F779 K780 K785 L787 V790 Y799 M815 R818 L831	I778-W782 WeakPolarHBondContact O-CB 3.35Å; I778-W782 PolarHBondContact O-N 3.11Å; F779-W782 HydrophobicContact CD2-CE3 4.04Å; F779-W782 HydrophobicContact CD2-CZ3 4.33Å; F779-W782 AromaticContact CE2-CE3 3.96Å; F779-W782 HydrophobicContact CE2-CE3 3.96Å; F779-W782 AromaticContact CE2-CZ3 3.88Å; F779-W782 HydrophobicContact CE2-CZ3 3.88Å; F779-W782 PolarHBondContact O-N 3.2Å; K780-W782 VanDerWaalsContact C-N 3.28Å; K780-W782 PolarHBondContact O-N 3.06Å; W782-K785 PolarHBondContact O-N 3.48Å; W782-L787 HydrophobicContact CB-CD2 4.49Å; W782-V790 HydrophobicContact CB-CG2 3.67Å; W782-V790 HydrophobicContact CD2-CG2 4.16Å; W782-V790 HydrophobicContact CG-CG2 3.53Å; W782-Y799 HydrophobicContact CD2-CE1 4.14Å; W782-Y799 HydrophobicContact CE3-CD1 4.47Å; W782-Y799 HydrophobicContact CE3-CE1 4.09Å; W782-Y799 HydrophobicContact CH2-CD1 4.34Å; W782-Y799 AromaticContact CH2-CE1 3.78Å; W782-Y799 HydrophobicContact CH2-CE1 3.78Å; W782-Y799 AromaticContact CZ2-CE1 3.83Å; W782-Y799 HydrophobicContact CZ2-CE1 3.83Å; W782-Y799 AromaticContact CZ2-CZ 3.9Å; W782-Y799 HydrophobicContact CZ3-CD1 4.19Å; W782-Y799 AromaticContact CZ3-CE1 3.93Å; W782-Y799 HydrophobicContact CZ3-CE1 3.93Å; W782-M815 HydrophobicContact CH2-CE 4.48Å; W782-M815 HydrophobicContact CZ3-CE 3.97Å; W782-R818 VanDerWaalsContact CZ2-CD 3.5Å; W782-R818 PolarHBondContact O-NH2 3.13Å; W782-R818 VanDerWaalsContact O-NH2 3.14Å; W782-L831 HydrophobicContact CH2-CD2 3.8Å; W782-L831 HydrophobicContact CZ2-CD2 4.4Å
783	I	95.8	Very high	95.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-67.9	-39.6	-178.4	-157.6	71.5	0	0	0	110.5	F779 K780 K785 H811 Q814 M815	F779-I783 HydrophobicContact CE1-CG2 4.32Å; F779-I783 HydrophobicContact CE2-CB 4.28Å; F779-I783 HydrophobicContact CE2-CD1 4.38Å; F779-I783 HydrophobicContact CZ-CB 4.17Å; F779-I783 HydrophobicContact CZ-CD1 4.36Å; F779-I783 HydrophobicContact CZ-CG1 4.25Å; F779-I783 HydrophobicContact CZ-CG2 4.4Å; F779-I783 WeakPolarHBondContact O-CB 3.15Å; F779-I783 WeakPolarHBondContact O-CG2 3.4Å; F779-I783 PolarHBondContact O-N 3.28Å; K780-I783 WeakPolarHBondContact O-CG2 3.46Å; K780-I783 PolarHBondContact O-N 2.97Å; I783-K785 PolarHBondContact O-N 3.1Å; I783-H811 HydrophobicContact CG1-CB 4.3Å; I783-Q814 HydrophobicContact CD1-CB 3.79Å; I783-Q814 HydrophobicContact CG1-CB 4.01Å; I783-Q814 PolarHBondContact O-OE1 2.9Å; I783-M815 HydrophobicContact CD1-CB 4.24Å
784	D	92.6	Very high	95.8	Very high	93 Å²	93	47.4 Å²	47.4	50%	0.497	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	0.9	176.1	-64.3	-23.8	0	0	0	113.5	K780 T786 H811	K780-D784 WeakPolarHBondContact O-CB 3.39Å; K780-D784 VanDerWaalsContact O-CG 3.31Å; K780-D784 PolarHBondContact O-N 2.79Å; D784-T786 VanDerWaalsContact C-N 3.26Å; D784-T786 PolarHBondContact O-N 3.18Å; D784-H811 IonicContact OD1-NE2 3.55Å
785	K	92.4	Very high	95.8	Very high	158 Å²	158	43.5 Å²	43.5	69%	0.687	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.6	21.3	176.1	-50	177.2	-178.5	177.4	0	114.9	Q781 W782 I783	Q781-K785 PolarHBondContact O-N 2.97Å; Q781-K785 VanDerWaalsContact O-N 3.17Å; W782-K785 PolarHBondContact O-N 3.48Å; I783-K785 PolarHBondContact O-N 3.1Å
786	T	92.9	Very high	95.8	Very high	109 Å²	109	45.1 Å²	45.1	67%	0.669	25%	0.246	S	C	*	.	S	Bend	trans	-81.2	-25.9	169.5	62.3	0	0	0	0	111.7	Q781 D784	Q781-T786 WeakPolarHBondContact CA-OG1 3.24Å; Q781-T786 WeakPolarHBondContact CB-OG1 3.47Å; Q781-T786 PolarHBondContact O-N 3.49Å; Q781-T786 PolarHBondContact O-OG1 3.08Å; Q781-T786 VanDerWaalsContact O-OG1 3.08Å; D784-T786 VanDerWaalsContact C-N 3.26Å; D784-T786 PolarHBondContact O-N 3.18Å
787	L	92.8	Very high	95.8	Very high	48 Å²	48	45 Å²	45	25%	0.251	25%	0.245	S	C	.	.	S	Bend	trans	-105.5	126.9	165.5	178.8	65.3	0	0	0	109.4	I778 Q781 W782 S789 V790	I778-L787 HydrophobicContact CG2-CD2 3.81Å; Q781-L787 HydrophobicContact CB-CB 3.75Å; Q781-L787 PolarHBondContact O-N 3.42Å; W782-L787 HydrophobicContact CB-CD2 4.49Å; L787-S789 WeakPolarHBondContact CG-O 3.44Å; L787-V790 HydrophobicContact CD2-CG2 4.47Å
788	S	89.3	Confident	95.8	Very high	118 Å²	118	41.7 Å²	41.7	83%	0.825	23%	0.227	S	C	*	.	S	Bend	trans	-71.4	-36.4	-176.1	54.9	0	0	0	0	113.3
789	S	92.8	Very high	95.9	Very high	43 Å²	43	41.1 Å²	41.1	30%	0.301	22%	0.224	S	C	.	.			trans	-154.3	143.6	-177.7	-172.3	0	0	0	0	110.8	L787 R795	L787-S789 WeakPolarHBondContact CG-O 3.44Å; S789-R795 PolarHBondContact OG-NH2 3.01Å
790	V	96.2	Very high	95.8	Very high	1 Å²	1	43 Å²	43	1%	0.006	23%	0.231	C	C	.	.			trans	-84.7	138.5	172.5	178.8	0	0	0	0	108.7	I778 W782 L787 V792 L794 R795 V798 Y799	I778-V790 HydrophobicContact CG2-CG1 4.13Å; I778-V790 HydrophobicContact CG2-CG2 4.07Å; W782-V790 HydrophobicContact CB-CG2 3.67Å; W782-V790 HydrophobicContact CD2-CG2 4.16Å; W782-V790 HydrophobicContact CG-CG2 3.53Å; L787-V790 HydrophobicContact CD2-CG2 4.47Å; V790-V792 PolarHBondContact O-N 2.9Å; V790-L794 HydrophobicContact CG1-CB 4.46Å; V790-R795 HydrophobicContact CB-CG 3.76Å; V790-R795 HydrophobicContact CG1-CB 4.43Å; V790-R795 HydrophobicContact CG1-CG 3.8Å; V790-R795 PolarHBondContact O-NE 3.11Å; V790-V798 HydrophobicContact CG1-CB 3.94Å; V790-V798 HydrophobicContact CG1-CG1 4.13Å; V790-V798 HydrophobicContact CG1-CG2 3.77Å; V790-V798 HydrophobicContact CG2-CG1 4.06Å; V790-Y799 HydrophobicContact CG2-CE1 4.13Å
791	P	96.3	Very high	95.9	Very high	47 Å²	47	39.5 Å²	39.5	31%	0.305	22%	0.216	S	C	.	.			trans	-56.2	137	176.8	-21.5	31.5	0	0	0	112.1	D746 N793 L794 R795	D746-P791 HydrophobicContact CB-CB 3.58Å; P791-N793 VanDerWaalsContact C-N 3.32Å; P791-N793 PolarHBondContact O-N 3.5Å; P791-L794 HydrophobicContact CB-CD1 4.12Å; P791-L794 HydrophobicContact CB-CG 4.4Å; P791-L794 HydrophobicContact CG-CD1 4.19Å; P791-L794 PolarHBondContact O-N 3.47Å; P791-R795 PolarHBondContact O-N 3.28Å; P791-R795 VanDerWaalsContact O-N 3.11Å
792	V	96.9	Very high	96	Very high	19 Å²	19	35.3 Å²	35.3	12%	0.115	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-35.5	-160.4	-64.1	0	0	0	0	113.6	K384 E385 S386 D746 V790 L794	K384-V792 VanDerWaalsContact C-CG1 3.46Å; K384-V792 WeakPolarHBondContact O-CG1 3.45Å; E385-V792 VanDerWaalsContact C-CG1 3.5Å; S386-V792 WeakPolarHBondContact O-CG2 3.36Å; D746-V792 WeakPolarHBondContact OD2-CG2 3.4Å; D746-V792 PolarHBondContact OD2-N 2.62Å; D746-V792 VanDerWaalsContact OD2-N 3.13Å; V790-V792 PolarHBondContact O-N 2.9Å; V792-L794 VanDerWaalsContact C-N 3.29Å; V792-L794 PolarHBondContact O-N 3Å
793	N	97.6	Very high	96	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.016	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-7.7	177.4	-70.2	-61.8	0	0	0	114.3	S387 S388 D746 R753 P791	S387-N793 WeakPolarHBondContact CB-OD1 3.47Å; S388-N793 VanDerWaalsContact CB-OD1 3.3Å; S388-N793 WeakPolarHBondContact CB-OD1 3.21Å; S388-N793 PolarHBondContact N-OD1 3.18Å; D746-N793 PolarHBondContact OD1-ND2 3.4Å; D746-N793 PolarHBondContact OD2-N 2.89Å; D746-N793 PolarHBondContact OD2-ND2 3.47Å; R753-N793 WeakPolarHBondContact CD-ND2 3.31Å; P791-N793 VanDerWaalsContact C-N 3.32Å; P791-N793 PolarHBondContact O-N 3.5Å
794	L	98.2	Very high	96	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-16.7	179.1	-57.3	177.7	0	0	0	112.6	W744 R756 L760 V790 P791 V792 L796 L797 V798	W744-L794 HydrophobicContact CB-CD1 4.12Å; W744-L794 HydrophobicContact CE3-CB 4.49Å; W744-L794 HydrophobicContact CE3-CD1 4.27Å; W744-L794 HydrophobicContact CE3-CD2 4.28Å; W744-L794 VanDerWaalsContact O-CD1 3.27Å; W744-L794 WeakPolarHBondContact O-CD1 3.38Å; R756-L794 HydrophobicContact CG-CD2 4.41Å; L760-L794 HydrophobicContact CD1-CD2 3.6Å; V790-L794 HydrophobicContact CG1-CB 4.46Å; P791-L794 HydrophobicContact CB-CD1 4.12Å; P791-L794 HydrophobicContact CB-CG 4.4Å; P791-L794 HydrophobicContact CG-CD1 4.19Å; P791-L794 PolarHBondContact O-N 3.47Å; V792-L794 VanDerWaalsContact C-N 3.29Å; V792-L794 PolarHBondContact O-N 3Å; L794-L796 PolarHBondContact O-N 2.98Å; L794-L797 PolarHBondContact O-N 3.37Å; L794-V798 HydrophobicContact CB-CG2 4.32Å; L794-V798 WeakPolarHBondContact O-CG2 3.29Å; L794-V798 PolarHBondContact O-N 3.42Å
795	R	97.3	Very high	96	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-46.8	-53.2	-176.1	-82.1	177	-172.8	-158.9	2.5	113.9	K384 E385 S789 V790 P791 L797 V798 Y799 E827 K830	K384-R795 PolarHBondContact O-NH2 2.81Å; E385-R795 VanDerWaalsContact CD-NH2 3.32Å; E385-R795 PolarHBondContact O-NH1 2.97Å; E385-R795 IonicContact OE1-NH2 2.79Å; E385-R795 IonicContact OE2-CZ 2.76Å; E385-R795 IonicContact OE2-NH1 3.38Å; E385-R795 PolarHBondContact OE2-NH1 3.36Å; E385-R795 IonicContact OE2-NH2 2.71Å; E385-R795 PolarHBondContact OE2-NH2 3.48Å; S789-R795 PolarHBondContact OG-NH2 3.01Å; V790-R795 HydrophobicContact CB-CG 3.76Å; V790-R795 HydrophobicContact CG1-CB 4.43Å; V790-R795 HydrophobicContact CG1-CG 3.8Å; V790-R795 PolarHBondContact O-NE 3.11Å; P791-R795 PolarHBondContact O-N 3.28Å; P791-R795 VanDerWaalsContact O-N 3.11Å; R795-L797 VanDerWaalsContact C-N 3.3Å; R795-L797 PolarHBondContact O-N 3.23Å; R795-V798 PolarHBondContact O-N 3.4Å; R795-Y799 HydrophobicContact CB-CE2 4.02Å; R795-Y799 HydrophobicContact CG-CE2 4.39Å; R795-Y799 WeakPolarHBondContact O-CB 3.34Å; R795-Y799 WeakPolarHBondContact O-CD1 3.07Å; R795-Y799 WeakPolarHBondContact O-CD2 3.4Å; R795-Y799 PolarHBondContact O-N 2.96Å; R795-E827 WeakPolarHBondContact CD-OE2 3.32Å; R795-E827 IonicContact CZ-OE2 2.91Å; R795-E827 IonicContact NH1-OE1 3.43Å; R795-E827 IonicContact NH1-OE2 2.92Å; R795-E827 PolarHBondContact NH1-OE2 3.42Å; R795-K830 HydrophobicContact CB-CD 3.88Å
796	L	97.8	Very high	95.9	Very high	34 Å²	34	31.3 Å²	31.3	18%	0.178	18%	0.179	C	C	.	.	H	α-helix	trans	-61	-42.1	-176.8	-178.9	60.4	0	0	0	111.4	L794 R800 K830 Y833	L794-L796 PolarHBondContact O-N 2.98Å; L796-R800 HydrophobicContact CD1-CG 4Å; L796-R800 HydrophobicContact CG-CG 4.47Å; L796-R800 WeakPolarHBondContact O-CB 3.27Å; L796-R800 WeakPolarHBondContact O-CG 3.44Å; L796-R800 PolarHBondContact O-N 3.41Å; L796-K830 HydrophobicContact CB-CD 4.37Å; L796-K830 HydrophobicContact CB-CG 4.38Å; L796-K830 HydrophobicContact CD1-CB 4.29Å; L796-K830 HydrophobicContact CD1-CG 4.38Å; L796-Y833 HydrophobicContact CD1-CD1 3.75Å; L796-Y833 HydrophobicContact CD1-CG 4.06Å; L796-Y833 HydrophobicContact CD2-CD1 4.47Å
797	L	98.4	Very high	95.5	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.016	18%	0.179	C	C	.	.	H	α-helix	trans	-66.3	-46.7	178.1	-55.4	-179.2	0	0	0	111.2	W744 E757 L760 L794 R795 Y799 R800 Y801	W744-L797 HydrophobicContact CH2-CB 4.11Å; W744-L797 HydrophobicContact CZ3-CB 4.11Å; E757-L797 HydrophobicContact CG-CD1 4.4Å; L760-L797 HydrophobicContact CB-CD1 3.58Å; L760-L797 HydrophobicContact CD1-CD1 4.42Å; L794-L797 PolarHBondContact O-N 3.37Å; R795-L797 VanDerWaalsContact C-N 3.3Å; R795-L797 PolarHBondContact O-N 3.23Å; L797-Y799 PolarHBondContact O-N 3Å; L797-R800 PolarHBondContact O-N 2.77Å; L797-Y801 HydrophobicContact CB-CD2 4.25Å; L797-Y801 HydrophobicContact CD2-CE2 3.96Å; L797-Y801 WeakPolarHBondContact O-CB 3.42Å; L797-Y801 VanDerWaalsContact O-CD2 3.23Å; L797-Y801 WeakPolarHBondContact O-CD2 3.32Å; L797-Y801 PolarHBondContact O-N 2.8Å
798	V	98.5	Very high	95.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.5	-44.9	177.8	172.2	0	0	0	0	110.9	W744 I778 F779 V790 L794 R795 G802	W744-V798 HydrophobicContact CE3-CG2 4.29Å; W744-V798 HydrophobicContact CZ3-CG2 3.86Å; I778-V798 HydrophobicContact CB-CG1 4.18Å; I778-V798 HydrophobicContact CB-CG2 4.11Å; I778-V798 HydrophobicContact CD1-CG2 4.34Å; I778-V798 HydrophobicContact CG2-CG1 3.87Å; I778-V798 HydrophobicContact CG2-CG2 3.86Å; F779-V798 HydrophobicContact CB-CG1 3.72Å; F779-V798 HydrophobicContact CD2-CG1 4.44Å; V790-V798 HydrophobicContact CG1-CB 3.94Å; V790-V798 HydrophobicContact CG1-CG1 4.13Å; V790-V798 HydrophobicContact CG1-CG2 3.77Å; V790-V798 HydrophobicContact CG2-CG1 4.06Å; L794-V798 HydrophobicContact CB-CG2 4.32Å; L794-V798 WeakPolarHBondContact O-CG2 3.29Å; L794-V798 PolarHBondContact O-N 3.42Å; R795-V798 PolarHBondContact O-N 3.4Å; V798-G802 WeakPolarHBondContact O-CA 3.19Å; V798-G802 PolarHBondContact O-N 2.8Å
799	Y	98.4	Very high	95.7	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.008	16%	0.155	C	C	.	.	H	α-helix	trans	-66.5	-45.6	-179.9	-61.4	-12.2	0	0	0	111.5	W782 V790 R795 L797 M803 M815 E827 K830 L831	W782-Y799 HydrophobicContact CD2-CE1 4.14Å; W782-Y799 HydrophobicContact CE3-CD1 4.47Å; W782-Y799 HydrophobicContact CE3-CE1 4.09Å; W782-Y799 HydrophobicContact CH2-CD1 4.34Å; W782-Y799 AromaticContact CH2-CE1 3.78Å; W782-Y799 HydrophobicContact CH2-CE1 3.78Å; W782-Y799 AromaticContact CZ2-CE1 3.83Å; W782-Y799 HydrophobicContact CZ2-CE1 3.83Å; W782-Y799 AromaticContact CZ2-CZ 3.9Å; W782-Y799 HydrophobicContact CZ3-CD1 4.19Å; W782-Y799 AromaticContact CZ3-CE1 3.93Å; W782-Y799 HydrophobicContact CZ3-CE1 3.93Å; V790-Y799 HydrophobicContact CG2-CE1 4.13Å; R795-Y799 HydrophobicContact CB-CE2 4.02Å; R795-Y799 HydrophobicContact CG-CE2 4.39Å; R795-Y799 WeakPolarHBondContact O-CB 3.34Å; R795-Y799 WeakPolarHBondContact O-CD1 3.07Å; R795-Y799 WeakPolarHBondContact O-CD2 3.4Å; R795-Y799 PolarHBondContact O-N 2.96Å; L797-Y799 PolarHBondContact O-N 3Å; Y799-M803 WeakPolarHBondContact O-CB 3.44Å; Y799-M803 PolarHBondContact O-N 2.83Å; Y799-M815 HydrophobicContact CD1-CE 4.23Å; Y799-M815 HydrophobicContact CG-CE 4.14Å; Y799-E827 VanDerWaalsContact CE2-OE1 3.25Å; Y799-E827 WeakPolarHBondContact CE2-OE1 3.24Å; Y799-E827 VanDerWaalsContact CZ-OE1 3.29Å; Y799-E827 PolarHBondContact OH-OE1 2.84Å; Y799-K830 HydrophobicContact CD2-CB 3.9Å; Y799-K830 HydrophobicContact CE2-CB 4.06Å; Y799-L831 HydrophobicContact CD2-CD2 4.02Å; Y799-L831 HydrophobicContact CD2-CG 4.47Å; Y799-L831 HydrophobicContact CE2-CD2 3.76Å; Y799-L831 HydrophobicContact CE2-CG 4.16Å
800	R	98.2	Very high	95.9	Very high	40 Å²	40	34 Å²	34	15%	0.151	17%	0.17	C	C	.	.	H	α-helix	trans	-67.1	-58.5	-179.1	-70.7	178.8	62.9	-169.5	0.4	112.2	L796 L797 K804 Y833 S837	L796-R800 HydrophobicContact CD1-CG 4Å; L796-R800 HydrophobicContact CG-CG 4.47Å; L796-R800 WeakPolarHBondContact O-CB 3.27Å; L796-R800 WeakPolarHBondContact O-CG 3.44Å; L796-R800 PolarHBondContact O-N 3.41Å; L797-R800 PolarHBondContact O-N 2.77Å; R800-K804 VanDerWaalsContact O-CB 3.32Å; R800-K804 WeakPolarHBondContact O-CB 3.46Å; R800-K804 PolarHBondContact O-N 2.85Å; R800-Y833 HydrophobicContact CG-CD2 4.12Å; R800-Y833 HydrophobicContact CG-CG 4.19Å; R800-Y833 VanDerWaalsContact CZ-CZ 3.4Å; R800-Y833 PolarHBondContact NH1-OH 3.29Å; R800-Y833 PolarHBondContact NH2-OH 3.5Å; R800-S837 WeakPolarHBondContact CG-OG 3.2Å; R800-S837 VanDerWaalsContact O-CB 3.28Å; R800-S837 WeakPolarHBondContact O-CB 3.33Å
801	Y	98.2	Very high	95.9	Very high	12 Å²	12	35.3 Å²	35.3	5%	0.047	18%	0.176	C	C	.	.	H	α-helix	trans	-78.1	-32.1	-173.7	-61.1	-68.2	0	0	0	111.8	C764 Q765 L772 L797 K804 M805	C764-Y801 HydrophobicContact CB-CD1 3.81Å; C764-Y801 HydrophobicContact CB-CD2 3.52Å; C764-Y801 HydrophobicContact CB-CE1 3.67Å; C764-Y801 HydrophobicContact CB-CE2 3.37Å; C764-Y801 HydrophobicContact CB-CG 3.75Å; C764-Y801 VanDerWaalsContact CB-CZ 3.46Å; Q765-Y801 WeakPolarHBondContact CG-OH 3.45Å; L772-Y801 HydrophobicContact CD2-CD1 3.93Å; L772-Y801 HydrophobicContact CD2-CG 4.19Å; L797-Y801 HydrophobicContact CB-CD2 4.25Å; L797-Y801 HydrophobicContact CD2-CE2 3.96Å; L797-Y801 WeakPolarHBondContact O-CB 3.42Å; L797-Y801 VanDerWaalsContact O-CD2 3.23Å; L797-Y801 WeakPolarHBondContact O-CD2 3.32Å; L797-Y801 PolarHBondContact O-N 2.8Å; Y801-K804 HydrophobicContact CD1-CD 4.49Å; Y801-K804 PolarHBondContact O-N 2.88Å; Y801-M805 WeakPolarHBondContact O-CB 3.42Å; Y801-M805 WeakPolarHBondContact O-CG 3.5Å; Y801-M805 PolarHBondContact O-N 2.68Å
802	G	97.7	Very high	96	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.5	-46.2	171	0	0	0	0	0	112.6	F779 V798 M805 S806	F779-G802 VanDerWaalsContact CD1-C 3.42Å; F779-G802 WeakPolarHBondContact CD1-O 3.18Å; V798-G802 WeakPolarHBondContact O-CA 3.19Å; V798-G802 PolarHBondContact O-N 2.8Å; G802-M805 PolarHBondContact O-N 2.94Å; G802-S806 VanDerWaalsContact O-CB 3.27Å; G802-S806 WeakPolarHBondContact O-CB 3.19Å; G802-S806 PolarHBondContact O-N 2.83Å
803	M	97.8	Very high	96	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.1	-48.7	175.2	-174.6	57.7	65.5	0	0	111.2	F779 Y799 M805 S806 R807 W812 M815 G834 V838	F779-M803 HydrophobicContact CE2-CE 4.36Å; F779-M803 HydrophobicContact CZ-CE 3.71Å; Y799-M803 WeakPolarHBondContact O-CB 3.44Å; Y799-M803 PolarHBondContact O-N 2.83Å; M803-M805 VanDerWaalsContact C-N 3.31Å; M803-M805 PolarHBondContact O-N 3.42Å; M803-S806 PolarHBondContact O-N 2.92Å; M803-S806 PolarHBondContact O-OG 2.81Å; M803-R807 PolarHBondContact O-N 3.12Å; M803-W812 HydrophobicContact CE-CB 4.31Å; M803-W812 HydrophobicContact SD-CB 4.04Å; M803-W812 HydrophobicContact SD-CG 4.45Å; M803-M815 HydrophobicContact CE-CB 3.89Å; M803-M815 HydrophobicContact CE-CE 3.62Å; M803-M815 HydrophobicContact CE-CG 4.4Å; M803-M815 HydrophobicContact CE-SD 3.7Å; M803-G834 WeakPolarHBondContact CB-O 3.18Å; M803-G834 VanDerWaalsContact CG-O 3.32Å; M803-G834 WeakPolarHBondContact CG-O 3.45Å; M803-V838 HydrophobicContact CG-CB 3.92Å; M803-V838 HydrophobicContact CG-CG2 4.39Å; M803-V838 HydrophobicContact SD-CB 4.43Å; M803-V838 HydrophobicContact SD-CG2 4.37Å
804	K	95.5	Very high	96	Very high	72 Å²	72	38.3 Å²	38.3	31%	0.313	19%	0.187	S	C	.	.	H	α-helix	trans	-51.6	-48.4	176.2	-176.8	-175.6	179.4	-179.2	0	112	R800 Y801 S837 E839	R800-K804 VanDerWaalsContact O-CB 3.32Å; R800-K804 WeakPolarHBondContact O-CB 3.46Å; R800-K804 PolarHBondContact O-N 2.85Å; Y801-K804 HydrophobicContact CD1-CD 4.49Å; Y801-K804 PolarHBondContact O-N 2.88Å; K804-S837 WeakPolarHBondContact CA-O 3.11Å; K804-S837 WeakPolarHBondContact CB-O 3.24Å; K804-E839 WeakPolarHBondContact CE-OE1 3.29Å; K804-E839 HydrophobicContact CG-CG 4.04Å
805	M	93.8	Very high	96	Very high	82 Å²	82	38.3 Å²	38.3	40%	0.404	19%	0.187	S	C	.	.	H	α-helix	trans	-76.1	-26.7	-177.4	-67	-62.4	-71.2	0	0	113.3	Y801 G802 M803	Y801-M805 WeakPolarHBondContact O-CB 3.42Å; Y801-M805 WeakPolarHBondContact O-CG 3.5Å; Y801-M805 PolarHBondContact O-N 2.68Å; G802-M805 PolarHBondContact O-N 2.94Å; M803-M805 VanDerWaalsContact C-N 3.31Å; M803-M805 PolarHBondContact O-N 3.42Å
806	S	90.4	Very high	96	Very high	22 Å²	22	39.2 Å²	39.2	15%	0.154	19%	0.191	C	C	.	.	H	α-helix	trans	-72.4	-34.1	-175.2	76.4	0	0	0	0	114.3	G802 M803 S808 H811	G802-S806 VanDerWaalsContact O-CB 3.27Å; G802-S806 WeakPolarHBondContact O-CB 3.19Å; G802-S806 PolarHBondContact O-N 2.83Å; M803-S806 PolarHBondContact O-N 2.92Å; M803-S806 PolarHBondContact O-OG 2.81Å; S806-S808 PolarHBondContact O-N 3.44Å; S806-H811 WeakPolarHBondContact CB-ND1 3.45Å
807	R	82.6	Confident	96	Very high	173 Å²	173	41.4 Å²	41.4	65%	0.653	20%	0.2	S	C	*	.			trans	43.8	36.6	-176.9	-59.9	-176.2	175.1	164	-1.2	113.7	M803 E839	M803-R807 PolarHBondContact O-N 3.12Å; R807-E839 IonicContact CZ-OE2 2.97Å; R807-E839 VanDerWaalsContact CZ-OE2 3.24Å; R807-E839 IonicContact NE-OE2 3.9Å; R807-E839 PolarHBondContact NE-OE2 2.89Å; R807-E839 IonicContact NH2-OE2 3.87Å; R807-E839 PolarHBondContact NH2-OE2 2.87Å
808	S	91.7	Very high	95.8	Very high	25 Å²	25	44.7 Å²	44.7	18%	0.175	21%	0.212	C	C	.	.			trans	-115.6	114.9	-172.9	172.1	0	0	0	0	110.8	S806 D810 H811 W812	S806-S808 PolarHBondContact O-N 3.44Å; S808-D810 PolarHBondContact O-N 3.11Å; S808-D810 PolarHBondContact OG-N 3.25Å; S808-H811 PolarHBondContact O-N 3.34Å; S808-H811 PolarHBondContact OG-N 3Å; S808-W812 PolarHBondContact O-N 3.18Å
809	P	95.4	Very high	95.7	Very high	63 Å²	63	44.7 Å²	44.7	41%	0.409	21%	0.212	S	C	.	.	H	α-helix	trans	-56.9	-32	172.1	-26.5	35.4	0	0	0	113.2	W812 N813 L843	P809-W812 PolarHBondContact O-N 2.62Å; P809-N813 WeakPolarHBondContact O-CB 3.26Å; P809-N813 VanDerWaalsContact O-CG 3.3Å; P809-N813 PolarHBondContact O-N 3.12Å; P809-N813 PolarHBondContact O-ND2 2.61Å; P809-L843 HydrophobicContact CB-CD1 4.3Å; P809-L843 HydrophobicContact CG-CD1 4.43Å
810	D	96.3	Very high	95.5	Very high	113 Å²	113	48.8 Å²	48.8	60%	0.604	23%	0.23	S	C	*	.	H	α-helix	trans	-69.5	-42.6	177.9	-70.8	-22.8	0	0	0	111.8	S808 W812 N813 Q814	S808-D810 PolarHBondContact O-N 3.11Å; S808-D810 PolarHBondContact OG-N 3.25Å; D810-W812 VanDerWaalsContact C-N 3.32Å; D810-W812 PolarHBondContact O-N 2.92Å; D810-N813 PolarHBondContact O-N 3.44Å; D810-Q814 WeakPolarHBondContact O-CB 3.19Å; D810-Q814 VanDerWaalsContact O-CG 3.27Å; D810-Q814 WeakPolarHBondContact O-CG 3.49Å; D810-Q814 PolarHBondContact O-N 3.08Å; D810-Q814 PolarHBondContact O-NE2 3.48Å
811	H	96.9	Very high	95.2	Very high	30 Å²	30	52 Å²	52	14%	0.139	25%	0.25	C	C	.	.	H	α-helix	trans	-64.4	-39.1	174.3	-65.4	167	0	0	0	111.5	F779 I783 D784 S806 S808 Q814 M815	F779-H811 HydrophobicContact CE1-CB 4.13Å; F779-H811 HydrophobicContact CZ-CB 4.15Å; I783-H811 HydrophobicContact CG1-CB 4.3Å; D784-H811 IonicContact OD1-NE2 3.55Å; S806-H811 WeakPolarHBondContact CB-ND1 3.45Å; S808-H811 PolarHBondContact O-N 3.34Å; S808-H811 PolarHBondContact OG-N 3Å; H811-Q814 PolarHBondContact O-N 3.43Å; H811-M815 PolarHBondContact O-N 3.32Å
812	W	98.1	Very high	94.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.1	-49.5	175	-169.7	98	0	0	0	111.6	M803 S808 P809 D810 Q814 M815 F816 L835 L843 K846 L847	M803-W812 HydrophobicContact CE-CB 4.31Å; M803-W812 HydrophobicContact SD-CB 4.04Å; M803-W812 HydrophobicContact SD-CG 4.45Å; S808-W812 PolarHBondContact O-N 3.18Å; P809-W812 PolarHBondContact O-N 2.62Å; D810-W812 VanDerWaalsContact C-N 3.32Å; D810-W812 PolarHBondContact O-N 2.92Å; W812-Q814 VanDerWaalsContact C-N 3.3Å; W812-Q814 PolarHBondContact O-N 3.4Å; W812-M815 PolarHBondContact O-N 3.21Å; W812-F816 HydrophobicContact CE3-CB 3.99Å; W812-F816 HydrophobicContact CE3-CG 4.48Å; W812-F816 HydrophobicContact CH2-CB 4.03Å; W812-F816 HydrophobicContact CH2-CD1 4.18Å; W812-F816 AromaticContact CH2-CD2 3.71Å; W812-F816 HydrophobicContact CH2-CD2 3.71Å; W812-F816 HydrophobicContact CH2-CE2 4.16Å; W812-F816 AromaticContact CH2-CG 3.71Å; W812-F816 HydrophobicContact CH2-CG 3.71Å; W812-F816 HydrophobicContact CZ2-CD2 4.33Å; W812-F816 HydrophobicContact CZ3-CB 3.63Å; W812-F816 AromaticContact CZ3-CD1 3.93Å; W812-F816 HydrophobicContact CZ3-CD1 3.93Å; W812-F816 HydrophobicContact CZ3-CD2 4.14Å; W812-F816 AromaticContact CZ3-CG 3.64Å; W812-F816 HydrophobicContact CZ3-CG 3.64Å; W812-F816 WeakPolarHBondContact O-CB 3.4Å; W812-F816 PolarHBondContact O-N 3.21Å; W812-L835 HydrophobicContact CD2-CD2 3.79Å; W812-L835 VanDerWaalsContact CE2-CD2 3.49Å; W812-L835 HydrophobicContact CE3-CD2 4.44Å; W812-L835 HydrophobicContact CG-CD2 4Å; W812-L835 HydrophobicContact CZ2-CB 4.4Å; W812-L835 HydrophobicContact CZ2-CD2 3.9Å; W812-L835 PolarHBondContact NE1-O 3.11Å; W812-L835 VanDerWaalsContact NE1-O 3.07Å; W812-L843 HydrophobicContact CB-CD1 3.9Å; W812-L843 HydrophobicContact CD2-CB 4.34Å; W812-L843 HydrophobicContact CD2-CD1 4.41Å; W812-L843 HydrophobicContact CD2-CD2 4.01Å; W812-L843 HydrophobicContact CD2-CG 4.49Å; W812-L843 HydrophobicContact CE3-CD2 3.98Å; W812-L843 HydrophobicContact CG-CB 4.41Å; W812-L843 HydrophobicContact CG-CD1 3.88Å; W812-L843 HydrophobicContact CG-CD2 4.32Å; W812-L843 HydrophobicContact CG-CG 4.44Å; W812-K846 HydrophobicContact CH2-CD 3.91Å; W812-K846 HydrophobicContact CH2-CG 4.14Å; W812-K846 HydrophobicContact CZ3-CD 3.76Å; W812-K846 HydrophobicContact CZ3-CG 4.48Å; W812-L847 HydrophobicContact CZ2-CB 4.14Å; W812-L847 HydrophobicContact CZ2-CD1 4.4Å
813	N	97.8	Very high	94.3	Very high	62 Å²	62	57.3 Å²	57.3	33%	0.332	29%	0.285	S	S	.	.	H	α-helix	trans	-62.5	-37.1	179	-74.1	-42.4	0	0	0	112.1	P809 D810 F816 Q817 K846	P809-N813 WeakPolarHBondContact O-CB 3.26Å; P809-N813 VanDerWaalsContact O-CG 3.3Å; P809-N813 PolarHBondContact O-N 3.12Å; P809-N813 PolarHBondContact O-ND2 2.61Å; D810-N813 PolarHBondContact O-N 3.44Å; N813-F816 PolarHBondContact O-N 3.08Å; N813-Q817 PolarHBondContact O-N 3.15Å; N813-K846 PolarHBondContact OD1-NZ 2.89Å
814	Q	97.3	Very high	94	Very high	70 Å²	70	58 Å²	58	33%	0.327	29%	0.289	S	S	.	.	H	α-helix	trans	-65.4	-44.7	174.2	-73.8	179.5	74.6	0	0	112.3	I783 D810 H811 W812 F816 Q817 R818	I783-Q814 HydrophobicContact CD1-CB 3.79Å; I783-Q814 HydrophobicContact CG1-CB 4.01Å; I783-Q814 PolarHBondContact O-OE1 2.9Å; D810-Q814 WeakPolarHBondContact O-CB 3.19Å; D810-Q814 VanDerWaalsContact O-CG 3.27Å; D810-Q814 WeakPolarHBondContact O-CG 3.49Å; D810-Q814 PolarHBondContact O-N 3.08Å; D810-Q814 PolarHBondContact O-NE2 3.48Å; H811-Q814 PolarHBondContact O-N 3.43Å; W812-Q814 VanDerWaalsContact C-N 3.3Å; W812-Q814 PolarHBondContact O-N 3.4Å; Q814-F816 VanDerWaalsContact C-N 3.33Å; Q814-Q817 PolarHBondContact O-N 3.27Å; Q814-R818 WeakPolarHBondContact O-CG 3.48Å; Q814-R818 PolarHBondContact O-N 3.13Å
815	M	97.6	Very high	93.9	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.1	-39.8	175	-175.6	-175.7	-76	0	0	111.2	F779 W782 I783 Y799 M803 H811 W812 Q817 R818 Y819 L831 L835	F779-M815 HydrophobicContact CD2-CE 4.2Å; F779-M815 HydrophobicContact CE2-CE 3.31Å; F779-M815 HydrophobicContact CZ-CE 3.97Å; W782-M815 HydrophobicContact CH2-CE 4.48Å; W782-M815 HydrophobicContact CZ3-CE 3.97Å; I783-M815 HydrophobicContact CD1-CB 4.24Å; Y799-M815 HydrophobicContact CD1-CE 4.23Å; Y799-M815 HydrophobicContact CG-CE 4.14Å; M803-M815 HydrophobicContact CE-CB 3.89Å; M803-M815 HydrophobicContact CE-CE 3.62Å; M803-M815 HydrophobicContact CE-CG 4.4Å; M803-M815 HydrophobicContact CE-SD 3.7Å; H811-M815 PolarHBondContact O-N 3.32Å; W812-M815 PolarHBondContact O-N 3.21Å; M815-Q817 VanDerWaalsContact C-N 3.3Å; M815-Q817 PolarHBondContact O-N 3.38Å; M815-R818 WeakPolarHBondContact O-CB 3.45Å; M815-R818 PolarHBondContact O-N 2.78Å; M815-R818 VanDerWaalsContact O-N 3.14Å; M815-Y819 PolarHBondContact O-N 3.47Å; M815-L831 HydrophobicContact CG-CD2 3.65Å; M815-L831 HydrophobicContact SD-CD2 4.25Å; M815-L835 HydrophobicContact CB-CD2 3.99Å; M815-L835 HydrophobicContact CG-CD2 4.02Å; M815-L835 HydrophobicContact CG-CG 4.11Å; M815-L835 HydrophobicContact SD-CD2 4.1Å; M815-L835 HydrophobicContact SD-CG 3.88Å
816	F	97.9	Very high	93.9	Very high	21 Å²	21	51.2 Å²	51.2	9%	0.092	26%	0.259	C	S	.	.	H	α-helix	trans	-64.1	-36.9	177.2	-171	-116.2	0	0	0	111.9	W812 N813 Q814 Y819 K820 L835 L847 A850 V856	W812-F816 HydrophobicContact CE3-CB 3.99Å; W812-F816 HydrophobicContact CE3-CG 4.48Å; W812-F816 HydrophobicContact CH2-CB 4.03Å; W812-F816 HydrophobicContact CH2-CD1 4.18Å; W812-F816 AromaticContact CH2-CD2 3.71Å; W812-F816 HydrophobicContact CH2-CD2 3.71Å; W812-F816 HydrophobicContact CH2-CE2 4.16Å; W812-F816 AromaticContact CH2-CG 3.71Å; W812-F816 HydrophobicContact CH2-CG 3.71Å; W812-F816 HydrophobicContact CZ2-CD2 4.33Å; W812-F816 HydrophobicContact CZ3-CB 3.63Å; W812-F816 AromaticContact CZ3-CD1 3.93Å; W812-F816 HydrophobicContact CZ3-CD1 3.93Å; W812-F816 HydrophobicContact CZ3-CD2 4.14Å; W812-F816 AromaticContact CZ3-CG 3.64Å; W812-F816 HydrophobicContact CZ3-CG 3.64Å; W812-F816 WeakPolarHBondContact O-CB 3.4Å; W812-F816 PolarHBondContact O-N 3.21Å; N813-F816 PolarHBondContact O-N 3.08Å; Q814-F816 VanDerWaalsContact C-N 3.33Å; F816-Y819 HydrophobicContact CD2-CD1 4.27Å; F816-Y819 HydrophobicContact CE2-CD1 4.19Å; F816-Y819 WeakPolarHBondContact O-CB 3.47Å; F816-Y819 PolarHBondContact O-N 3.31Å; F816-K820 HydrophobicContact CE1-CD 4.27Å; F816-K820 PolarHBondContact O-N 2.9Å; F816-L835 HydrophobicContact CB-CD1 4.47Å; F816-L835 HydrophobicContact CB-CD2 3.89Å; F816-L835 HydrophobicContact CD2-CD1 3.79Å; F816-L835 HydrophobicContact CD2-CD2 4.42Å; F816-L847 HydrophobicContact CE2-CD1 4.41Å; F816-A850 HydrophobicContact CZ-CB 4.21Å; F816-V856 HydrophobicContact CE1-CG1 4.49Å; F816-V856 HydrophobicContact CE2-CG1 4.34Å; F816-V856 HydrophobicContact CZ-CG1 3.67Å
817	Q	96.8	Very high	94.2	Very high	80 Å²	80	50.8 Å²	50.8	37%	0.374	25%	0.254	S	S	.	.	H	α-helix	trans	-65.1	-43.7	171.8	-170.9	58.2	48.6	0	0	111.6	N813 Q814 M815 Y819 K820 D821	N813-Q817 PolarHBondContact O-N 3.15Å; Q814-Q817 PolarHBondContact O-N 3.27Å; M815-Q817 VanDerWaalsContact C-N 3.3Å; M815-Q817 PolarHBondContact O-N 3.38Å; Q817-Y819 VanDerWaalsContact C-N 3.29Å; Q817-Y819 PolarHBondContact O-N 3.04Å; Q817-K820 PolarHBondContact O-N 3.49Å; Q817-K820 VanDerWaalsContact O-N 3.11Å; Q817-D821 PolarHBondContact NE2-OD1 2.9Å; Q817-D821 PolarHBondContact NE2-OD2 3.09Å; Q817-D821 PolarHBondContact O-N 3.31Å
818	R	95.6	Very high	94.8	Very high	71 Å²	71	43.8 Å²	43.8	27%	0.268	23%	0.228	S	C	.	.	H	α-helix	trans	-59.8	-37.3	174.2	-70	175.8	175.6	-92.4	13.7	112.8	W782 Q814 M815 D821 S822	W782-R818 VanDerWaalsContact CZ2-CD 3.5Å; W782-R818 PolarHBondContact O-NH2 3.13Å; W782-R818 VanDerWaalsContact O-NH2 3.14Å; Q814-R818 WeakPolarHBondContact O-CG 3.48Å; Q814-R818 PolarHBondContact O-N 3.13Å; M815-R818 WeakPolarHBondContact O-CB 3.45Å; M815-R818 PolarHBondContact O-N 2.78Å; M815-R818 VanDerWaalsContact O-N 3.14Å; R818-D821 PolarHBondContact O-N 3.41Å; R818-S822 WeakPolarHBondContact O-CB 3.39Å; R818-S822 PolarHBondContact O-N 3.14Å
819	Y	96.4	Very high	95	Very high	1 Å²	1	45 Å²	45	0%	0.004	23%	0.233	C	C	.	.	H	α-helix	trans	-60.5	-44	173.7	158.5	-97.3	0	0	0	112	M815 F816 Q817 K828 L832 V856 V857	M815-Y819 PolarHBondContact O-N 3.47Å; F816-Y819 HydrophobicContact CD2-CD1 4.27Å; F816-Y819 HydrophobicContact CE2-CD1 4.19Å; F816-Y819 WeakPolarHBondContact O-CB 3.47Å; F816-Y819 PolarHBondContact O-N 3.31Å; Q817-Y819 VanDerWaalsContact C-N 3.29Å; Q817-Y819 PolarHBondContact O-N 3.04Å; Y819-K828 HydrophobicContact CD2-CB 3.9Å; Y819-K828 HydrophobicContact CD2-CD 4.21Å; Y819-K828 HydrophobicContact CD2-CG 3.96Å; Y819-K828 HydrophobicContact CE2-CB 3.86Å; Y819-K828 HydrophobicContact CE2-CD 3.85Å; Y819-K828 HydrophobicContact CE2-CG 4.04Å; Y819-K828 WeakPolarHBondContact O-CE 3.43Å; Y819-K828 PolarHBondContact O-NZ 2.99Å; Y819-K828 VanDerWaalsContact O-NZ 3.16Å; Y819-L832 HydrophobicContact CD2-CD2 3.89Å; Y819-L832 HydrophobicContact CD2-CG 3.84Å; Y819-L832 HydrophobicContact CE1-CD2 4.34Å; Y819-L832 HydrophobicContact CE2-CD1 3.82Å; Y819-L832 HydrophobicContact CE2-CD2 3.62Å; Y819-L832 HydrophobicContact CE2-CG 3.6Å; Y819-L832 HydrophobicContact CG-CD2 4.36Å; Y819-V856 HydrophobicContact CE1-CG1 4.47Å; Y819-V856 VanDerWaalsContact CE1-O 3.24Å; Y819-V856 WeakPolarHBondContact CE1-O 3.47Å; Y819-V856 PolarHBondContact OH-O 3.36Å; Y819-V857 HydrophobicContact CE1-CG2 4.48Å; Y819-V857 WeakPolarHBondContact OH-CA 3.48Å
820	K	93.6	Very high	95.1	Very high	88 Å²	88	42.5 Å²	42.5	38%	0.383	22%	0.215	S	C	.	.	H	α-helix	trans	-66	-41.2	177.2	-68.2	-177.7	-63.7	171.4	0	111.9	F816 Q817	F816-K820 HydrophobicContact CE1-CD 4.27Å; F816-K820 PolarHBondContact O-N 2.9Å; Q817-K820 PolarHBondContact O-N 3.49Å; Q817-K820 VanDerWaalsContact O-N 3.11Å
821	D	91.5	Very high	95.2	Very high	106 Å²	106	37.2 Å²	37.2	57%	0.567	19%	0.187	S	C	*	.	H	α-helix	trans	-77.8	-22.9	-176	-61.9	-17.8	0	0	0	113.5	Q817 R818	Q817-D821 PolarHBondContact NE2-OD1 2.9Å; Q817-D821 PolarHBondContact NE2-OD2 3.09Å; Q817-D821 PolarHBondContact O-N 3.31Å; R818-D821 PolarHBondContact O-N 3.41Å
822	S	90.3	Very high	95.3	Very high	26 Å²	26	35.8 Å²	35.8	18%	0.182	18%	0.181	C	C	.	.			trans	-65.9	141.2	179.7	-177.2	0	0	0	0	111.6	R818 L824 K828	R818-S822 WeakPolarHBondContact O-CB 3.39Å; R818-S822 PolarHBondContact O-N 3.14Å; S822-L824 PolarHBondContact OG-N 3.42Å; S822-K828 WeakPolarHBondContact O-CE 3.46Å; S822-K828 PolarHBondContact O-NZ 3.45Å
823	T	86.4	Confident	95.3	Very high	98 Å²	98	37.4 Å²	37.4	60%	0.601	19%	0.187	S	C	*	.			trans	-102.8	-13.1	175.4	55.9	0	0	0	0	112.9	Q322	Q322-T823 PolarHBondContact NE2-O 3.01Å
824	L	91.4	Very high	95.3	Very high	16 Å²	16	34.4 Å²	34.4	8%	0.084	17%	0.171	C	C	.	.			trans	-95.1	116.9	-177.7	-176.2	66.9	0	0	0	110.7	D382 E385 S822 Q826 E827 K828	D382-L824 HydrophobicContact CB-CD2 4.15Å; E385-L824 HydrophobicContact CB-CD2 3.45Å; E385-L824 VanDerWaalsContact CB-CD2 3.45Å; E385-L824 HydrophobicContact CG-CD2 4.34Å; S822-L824 PolarHBondContact OG-N 3.42Å; L824-Q826 VanDerWaalsContact C-N 3.29Å; L824-Q826 HydrophobicContact CG-CB 4.33Å; L824-Q826 PolarHBondContact O-N 2.92Å; L824-E827 HydrophobicContact CB-CB 4.2Å; L824-E827 HydrophobicContact CD2-CB 4.32Å; L824-E827 HydrophobicContact CG-CB 4.46Å; L824-E827 PolarHBondContact O-N 3.39Å; L824-K828 PolarHBondContact O-N 2.88Å
825	A	93.3	Very high	95.4	Very high	9 Å²	9	31.1 Å²	31.1	7%	0.074	16%	0.156	C	C	.	.	H	α-helix	trans	-58.6	-38.4	-178.6	0	0	0	0	0	113.2	E376 T377 E827 K828 D829	E376-A825 HydrophobicContact CB-CB 3.65Å; T377-A825 HydrophobicContact CG2-CB 3.61Å; A825-E827 PolarHBondContact O-N 3.27Å; A825-K828 WeakPolarHBondContact O-CB 3.21Å; A825-K828 PolarHBondContact O-N 2.84Å; A825-D829 PolarHBondContact O-N 3.36Å
826	Q	94.5	Very high	95.4	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.009	16%	0.156	C	C	.	.	H	α-helix	trans	-66.7	-25.1	178.2	-65.3	177.7	-13.6	0	0	113.2	T377 L380 S386 N390 L824 K830	T377-Q826 HydrophobicContact CG2-CG 4.16Å; T377-Q826 PolarHBondContact O-NE2 3.41Å; L380-Q826 VanDerWaalsContact O-CD 3.26Å; L380-Q826 PolarHBondContact O-NE2 3.34Å; L380-Q826 PolarHBondContact O-OE1 2.91Å; S386-Q826 PolarHBondContact OG-OE1 2.8Å; N390-Q826 HydrophobicContact CB-CG 4.5Å; L824-Q826 VanDerWaalsContact C-N 3.29Å; L824-Q826 HydrophobicContact CG-CB 4.33Å; L824-Q826 PolarHBondContact O-N 2.92Å; Q826-K830 WeakPolarHBondContact O-CG 3.4Å; Q826-K830 PolarHBondContact O-NZ 3.19Å
827	E	95.9	Very high	95.4	Very high	13 Å²	13	31 Å²	31	6%	0.061	16%	0.157	C	C	.	.	H	α-helix	trans	-80.9	-40.7	172.2	179	62.1	-170.4	0	0	110.6	R795 Y799 L824 A825 D829 K830 L831	R795-E827 WeakPolarHBondContact CD-OE2 3.32Å; R795-E827 IonicContact CZ-OE2 2.91Å; R795-E827 IonicContact NH1-OE1 3.43Å; R795-E827 IonicContact NH1-OE2 2.92Å; R795-E827 PolarHBondContact NH1-OE2 3.42Å; Y799-E827 VanDerWaalsContact CE2-OE1 3.25Å; Y799-E827 WeakPolarHBondContact CE2-OE1 3.24Å; Y799-E827 VanDerWaalsContact CZ-OE1 3.29Å; Y799-E827 PolarHBondContact OH-OE1 2.84Å; L824-E827 HydrophobicContact CB-CB 4.2Å; L824-E827 HydrophobicContact CD2-CB 4.32Å; L824-E827 HydrophobicContact CG-CB 4.46Å; L824-E827 PolarHBondContact O-N 3.39Å; A825-E827 PolarHBondContact O-N 3.27Å; E827-D829 VanDerWaalsContact C-N 3.32Å; E827-D829 PolarHBondContact O-N 3.07Å; E827-K830 PolarHBondContact O-N 3.28Å; E827-L831 HydrophobicContact CG-CD1 3.94Å; E827-L831 HydrophobicContact CG-CG 4.41Å; E827-L831 WeakPolarHBondContact O-CG 3.25Å; E827-L831 PolarHBondContact O-N 3.41Å
828	K	96.4	Very high	95.5	Very high	25 Å²	25	27.2 Å²	27.2	11%	0.109	14%	0.14	C	C	.	.	H	α-helix	trans	-56	-44.4	175.8	-74.3	-164.1	177.7	-140.3	0	112.7	Y819 S822 L824 A825 K830 L831 L832	Y819-K828 HydrophobicContact CD2-CB 3.9Å; Y819-K828 HydrophobicContact CD2-CD 4.21Å; Y819-K828 HydrophobicContact CD2-CG 3.96Å; Y819-K828 HydrophobicContact CE2-CB 3.86Å; Y819-K828 HydrophobicContact CE2-CD 3.85Å; Y819-K828 HydrophobicContact CE2-CG 4.04Å; Y819-K828 WeakPolarHBondContact O-CE 3.43Å; Y819-K828 PolarHBondContact O-NZ 2.99Å; Y819-K828 VanDerWaalsContact O-NZ 3.16Å; S822-K828 WeakPolarHBondContact O-CE 3.46Å; S822-K828 PolarHBondContact O-NZ 3.45Å; L824-K828 PolarHBondContact O-N 2.88Å; A825-K828 WeakPolarHBondContact O-CB 3.21Å; A825-K828 PolarHBondContact O-N 2.84Å; K828-K830 PolarHBondContact O-N 3.11Å; K828-L831 PolarHBondContact O-N 2.96Å; K828-L832 WeakPolarHBondContact O-CG 3.23Å; K828-L832 PolarHBondContact O-N 3.35Å
829	D	96.3	Very high	95.4	Very high	51 Å²	51	26.7 Å²	26.7	27%	0.273	14%	0.141	S	C	.	.	H	α-helix	trans	-58.9	-46.3	177.6	177.2	60.9	0	0	0	112.2	A825 E827 L831 L832 Y833 Y868	A825-D829 PolarHBondContact O-N 3.36Å; E827-D829 VanDerWaalsContact C-N 3.32Å; E827-D829 PolarHBondContact O-N 3.07Å; D829-L831 VanDerWaalsContact C-N 3.32Å; D829-L831 PolarHBondContact O-N 2.99Å; D829-L832 PolarHBondContact O-N 3.26Å; D829-Y833 PolarHBondContact O-N 2.81Å; D829-Y868 WeakPolarHBondContact OD1-CE2 3.48Å; D829-Y868 PolarHBondContact OD1-OH 2.87Å; D829-Y868 PolarHBondContact OD2-OH 3.46Å
830	K	97.6	Very high	95.4	Very high	10 Å²	10	29.1 Å²	29.1	4%	0.043	15%	0.154	C	C	.	.	H	α-helix	trans	-61.8	-40.3	175.9	-62.2	-177	-166.1	80.2	0	112	N390 R795 L796 Y799 Q826 E827 K828 Y833 G834	N390-K830 WeakPolarHBondContact OD1-CE 3.22Å; N390-K830 PolarHBondContact OD1-NZ 2.96Å; R795-K830 HydrophobicContact CB-CD 3.88Å; L796-K830 HydrophobicContact CB-CD 4.37Å; L796-K830 HydrophobicContact CB-CG 4.38Å; L796-K830 HydrophobicContact CD1-CB 4.29Å; L796-K830 HydrophobicContact CD1-CG 4.38Å; Y799-K830 HydrophobicContact CD2-CB 3.9Å; Y799-K830 HydrophobicContact CE2-CB 4.06Å; Q826-K830 WeakPolarHBondContact O-CG 3.4Å; Q826-K830 PolarHBondContact O-NZ 3.19Å; E827-K830 PolarHBondContact O-N 3.28Å; K828-K830 PolarHBondContact O-N 3.11Å; K830-Y833 PolarHBondContact O-N 2.89Å; K830-G834 PolarHBondContact O-N 3.23Å
831	L	98.3	Very high	95.6	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-65.8	-42.5	177.5	-68.1	167	0	0	0	111.5	W782 Y799 M815 E827 K828 D829 Y833 G834 L835	W782-L831 HydrophobicContact CH2-CD2 3.8Å; W782-L831 HydrophobicContact CZ2-CD2 4.4Å; Y799-L831 HydrophobicContact CD2-CD2 4.02Å; Y799-L831 HydrophobicContact CD2-CG 4.47Å; Y799-L831 HydrophobicContact CE2-CD2 3.76Å; Y799-L831 HydrophobicContact CE2-CG 4.16Å; M815-L831 HydrophobicContact CG-CD2 3.65Å; M815-L831 HydrophobicContact SD-CD2 4.25Å; E827-L831 HydrophobicContact CG-CD1 3.94Å; E827-L831 HydrophobicContact CG-CG 4.41Å; E827-L831 WeakPolarHBondContact O-CG 3.25Å; E827-L831 PolarHBondContact O-N 3.41Å; K828-L831 PolarHBondContact O-N 2.96Å; D829-L831 VanDerWaalsContact C-N 3.32Å; D829-L831 PolarHBondContact O-N 2.99Å; L831-Y833 VanDerWaalsContact C-N 3.3Å; L831-Y833 PolarHBondContact O-N 2.95Å; L831-G834 PolarHBondContact O-N 3.35Å; L831-L835 WeakPolarHBondContact O-CB 3.46Å; L831-L835 WeakPolarHBondContact O-CD1 3.36Å; L831-L835 WeakPolarHBondContact O-CG 3.43Å; L831-L835 PolarHBondContact O-N 3.19Å
832	L	98.5	Very high	95.8	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-58.9	-41.9	174.6	-72.5	174.1	0	0	0	111.6	Y819 K828 D829 L835 A836 L847 D861 V865 Y868	Y819-L832 HydrophobicContact CD2-CD2 3.89Å; Y819-L832 HydrophobicContact CD2-CG 3.84Å; Y819-L832 HydrophobicContact CE1-CD2 4.34Å; Y819-L832 HydrophobicContact CE2-CD1 3.82Å; Y819-L832 HydrophobicContact CE2-CD2 3.62Å; Y819-L832 HydrophobicContact CE2-CG 3.6Å; Y819-L832 HydrophobicContact CG-CD2 4.36Å; K828-L832 WeakPolarHBondContact O-CG 3.23Å; K828-L832 PolarHBondContact O-N 3.35Å; D829-L832 PolarHBondContact O-N 3.26Å; L832-L835 HydrophobicContact CD2-CD1 4.45Å; L832-L835 PolarHBondContact O-N 3.39Å; L832-A836 WeakPolarHBondContact O-CB 3.44Å; L832-A836 PolarHBondContact O-N 2.92Å; L832-L847 HydrophobicContact CD2-CD1 4.24Å; L832-D861 HydrophobicContact CD1-CB 4.38Å; L832-V865 HydrophobicContact CB-CG2 4.43Å; L832-V865 HydrophobicContact CD1-CG2 3.87Å; L832-V865 HydrophobicContact CD2-CG2 3.95Å; L832-V865 HydrophobicContact CG-CG2 4.31Å; L832-Y868 HydrophobicContact CB-CD2 4.39Å; L832-Y868 HydrophobicContact CB-CE2 4.47Å
833	Y	98.4	Very high	96.2	Very high	33 Å²	33	28.7 Å²	28.7	13%	0.129	16%	0.156	C	C	.	.	H	α-helix	trans	-68.2	-39.5	175.9	-154.3	164.6	0	0	0	112	L796 R800 D829 K830 L831 A836 S837 Y868 Y871	L796-Y833 HydrophobicContact CD1-CD1 3.75Å; L796-Y833 HydrophobicContact CD1-CG 4.06Å; L796-Y833 HydrophobicContact CD2-CD1 4.47Å; R800-Y833 HydrophobicContact CG-CD2 4.12Å; R800-Y833 HydrophobicContact CG-CG 4.19Å; R800-Y833 VanDerWaalsContact CZ-CZ 3.4Å; R800-Y833 PolarHBondContact NH1-OH 3.29Å; R800-Y833 PolarHBondContact NH2-OH 3.5Å; D829-Y833 PolarHBondContact O-N 2.81Å; K830-Y833 PolarHBondContact O-N 2.89Å; L831-Y833 VanDerWaalsContact C-N 3.3Å; L831-Y833 PolarHBondContact O-N 2.95Å; Y833-A836 PolarHBondContact O-N 2.58Å; Y833-S837 PolarHBondContact O-N 2.9Å; Y833-S837 PolarHBondContact O-OG 2.96Å; Y833-Y868 AromaticContact CD1-CD1 3.85Å; Y833-Y868 HydrophobicContact CD1-CD1 3.85Å; Y833-Y868 HydrophobicContact CD1-CD2 4.45Å; Y833-Y868 AromaticContact CD1-CE1 3.55Å; Y833-Y868 HydrophobicContact CD1-CE1 3.55Å; Y833-Y868 HydrophobicContact CD1-CE2 4.18Å; Y833-Y868 HydrophobicContact CD1-CG 4.3Å; Y833-Y868 AromaticContact CD1-CZ 3.74Å; Y833-Y868 AromaticContact CD2-CD1 3.91Å; Y833-Y868 HydrophobicContact CD2-CD1 3.91Å; Y833-Y868 HydrophobicContact CD2-CD2 4.26Å; Y833-Y868 HydrophobicContact CD2-CE1 4.45Å; Y833-Y868 AromaticContact CD2-CG 3.82Å; Y833-Y868 HydrophobicContact CD2-CG 3.82Å; Y833-Y868 AromaticContact CE1-CD1 3.96Å; Y833-Y868 HydrophobicContact CE1-CD1 3.96Å; Y833-Y868 AromaticContact CE1-CE1 3.77Å; Y833-Y868 HydrophobicContact CE1-CE1 3.77Å; Y833-Y868 HydrophobicContact CE2-CD1 4.01Å; Y833-Y868 HydrophobicContact CE2-CG 4.28Å; Y833-Y868 AromaticContact CG-CD1 3.85Å; Y833-Y868 HydrophobicContact CG-CD1 3.85Å; Y833-Y868 AromaticContact CG-CD2 3.91Å; Y833-Y868 HydrophobicContact CG-CD2 3.91Å; Y833-Y868 AromaticContact CG-CE1 3.95Å; Y833-Y868 HydrophobicContact CG-CE1 3.95Å; Y833-Y868 HydrophobicContact CG-CE2 4Å; Y833-Y868 AromaticContact CG-CG 3.84Å; Y833-Y868 HydrophobicContact CG-CG 3.84Å; Y833-Y871 AromaticContact CE2-CD2 3.96Å; Y833-Y871 HydrophobicContact CE2-CD2 3.96Å; Y833-Y871 AromaticContact CZ-CD2 3.75Å; Y833-Y871 WeakPolarHBondContact OH-CD2 3.42Å
834	G	98.2	Very high	96.7	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-56.4	-50.1	171.4	0	0	0	0	0	112.4	M803 K830 L831 A836 S837	M803-G834 WeakPolarHBondContact CB-O 3.18Å; M803-G834 VanDerWaalsContact CG-O 3.32Å; M803-G834 WeakPolarHBondContact CG-O 3.45Å; K830-G834 PolarHBondContact O-N 3.23Å; L831-G834 PolarHBondContact O-N 3.35Å; G834-A836 VanDerWaalsContact C-N 3.31Å; G834-A836 PolarHBondContact O-N 2.89Å; G834-S837 WeakPolarHBondContact O-CB 3.47Å; G834-S837 PolarHBondContact O-N 3.37Å
835	L	98.5	Very high	97.1	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.4	-38.5	178.3	-69.8	161.9	0	0	0	112.6	W812 M815 F816 L831 L832 S837 V838 L847	W812-L835 HydrophobicContact CD2-CD2 3.79Å; W812-L835 VanDerWaalsContact CE2-CD2 3.49Å; W812-L835 HydrophobicContact CE3-CD2 4.44Å; W812-L835 HydrophobicContact CG-CD2 4Å; W812-L835 HydrophobicContact CZ2-CB 4.4Å; W812-L835 HydrophobicContact CZ2-CD2 3.9Å; W812-L835 PolarHBondContact NE1-O 3.11Å; W812-L835 VanDerWaalsContact NE1-O 3.07Å; M815-L835 HydrophobicContact CB-CD2 3.99Å; M815-L835 HydrophobicContact CG-CD2 4.02Å; M815-L835 HydrophobicContact CG-CG 4.11Å; M815-L835 HydrophobicContact SD-CD2 4.1Å; M815-L835 HydrophobicContact SD-CG 3.88Å; F816-L835 HydrophobicContact CB-CD1 4.47Å; F816-L835 HydrophobicContact CB-CD2 3.89Å; F816-L835 HydrophobicContact CD2-CD1 3.79Å; F816-L835 HydrophobicContact CD2-CD2 4.42Å; L831-L835 WeakPolarHBondContact O-CB 3.46Å; L831-L835 WeakPolarHBondContact O-CD1 3.36Å; L831-L835 WeakPolarHBondContact O-CG 3.43Å; L831-L835 PolarHBondContact O-N 3.19Å; L832-L835 HydrophobicContact CD2-CD1 4.45Å; L832-L835 PolarHBondContact O-N 3.39Å; L835-S837 PolarHBondContact O-N 2.78Å; L835-V838 WeakPolarHBondContact O-CG1 3.41Å; L835-L847 HydrophobicContact CB-CD1 4.41Å; L835-L847 HydrophobicContact CB-CD2 3.99Å; L835-L847 HydrophobicContact CD1-CD1 4.48Å
836	A	98.3	Very high	97.3	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.008	16%	0.158	C	C	.	.	H	α-helix	trans	-72	-10.9	175.9	0	0	0	0	0	113.5	L832 Y833 G834 L844 L847 V869 N872	L832-A836 WeakPolarHBondContact O-CB 3.44Å; L832-A836 PolarHBondContact O-N 2.92Å; Y833-A836 PolarHBondContact O-N 2.58Å; G834-A836 VanDerWaalsContact C-N 3.31Å; G834-A836 PolarHBondContact O-N 2.89Å; A836-L844 WeakPolarHBondContact O-CD2 3.2Å; A836-L847 HydrophobicContact CB-CD2 3.89Å; A836-V869 HydrophobicContact CB-CG2 4.12Å; A836-N872 PolarHBondContact O-ND2 3.42Å
837	S	98	Very high	97.5	Very high	17 Å²	17	30.7 Å²	30.7	12%	0.119	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	2.8	-179	-58.2	0	0	0	0	113.9	R800 K804 Y833 G834 L835	R800-S837 WeakPolarHBondContact CG-OG 3.2Å; R800-S837 VanDerWaalsContact O-CB 3.28Å; R800-S837 WeakPolarHBondContact O-CB 3.33Å; K804-S837 WeakPolarHBondContact CA-O 3.11Å; K804-S837 WeakPolarHBondContact CB-O 3.24Å; Y833-S837 PolarHBondContact O-N 2.9Å; Y833-S837 PolarHBondContact O-OG 2.96Å; G834-S837 WeakPolarHBondContact O-CB 3.47Å; G834-S837 PolarHBondContact O-N 3.37Å; L835-S837 PolarHBondContact O-N 2.78Å
838	V	97.2	Very high	97.6	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	16%	0.155	C	C	.	.			trans	-69	139.5	178	70.1	0	0	0	0	112	M803 L835 D840 L843 L844 N872	M803-V838 HydrophobicContact CG-CB 3.92Å; M803-V838 HydrophobicContact CG-CG2 4.39Å; M803-V838 HydrophobicContact SD-CB 4.43Å; M803-V838 HydrophobicContact SD-CG2 4.37Å; L835-V838 WeakPolarHBondContact O-CG1 3.41Å; V838-D840 VanDerWaalsContact C-N 3.27Å; V838-D840 HydrophobicContact CG2-CB 3.99Å; V838-D840 PolarHBondContact O-N 3.15Å; V838-L843 HydrophobicContact CG1-CB 3.88Å; V838-L843 HydrophobicContact CG2-CD1 3.92Å; V838-L844 HydrophobicContact CG1-CD2 3.95Å; V838-L844 HydrophobicContact CG1-CG 4.05Å; V838-N872 PolarHBondContact O-ND2 3.03Å
839	E	94.8	Very high	97.6	Very high	61 Å²	61	32.6 Å²	32.6	29%	0.285	17%	0.167	S	C	.	.	S	Bend	trans	-90.6	57.1	175.1	-65.9	-175.3	166.2	0	0	111.3	K804 R807 L874	K804-E839 WeakPolarHBondContact CE-OE1 3.29Å; K804-E839 HydrophobicContact CG-CG 4.04Å; R807-E839 IonicContact CZ-OE2 2.97Å; R807-E839 VanDerWaalsContact CZ-OE2 3.24Å; R807-E839 IonicContact NE-OE2 3.9Å; R807-E839 PolarHBondContact NE-OE2 2.89Å; R807-E839 IonicContact NH2-OE2 3.87Å; R807-E839 PolarHBondContact NH2-OE2 2.87Å; E839-L874 HydrophobicContact CB-CD1 4.24Å
840	D	96.7	Very high	97.7	Very high	52 Å²	52	30.8 Å²	30.8	28%	0.278	16%	0.159	S	C	.	.			trans	-147.7	120.7	-179.1	-175	-62.8	0	0	0	110.5	V838 D842 L843 L844	V838-D840 VanDerWaalsContact C-N 3.27Å; V838-D840 HydrophobicContact CG2-CB 3.99Å; V838-D840 PolarHBondContact O-N 3.15Å; D840-D842 WeakPolarHBondContact OD1-CA 3.47Å; D840-D842 WeakPolarHBondContact OD1-CB 3.34Å; D840-D842 PolarHBondContact OD1-N 3.02Å; D840-L843 HydrophobicContact CB-CB 4.2Å; D840-L843 HydrophobicContact CB-CD1 3.95Å; D840-L843 HydrophobicContact CB-CG 4.18Å; D840-L843 PolarHBondContact OD1-N 3.45Å; D840-L844 VanDerWaalsContact O-CG 3.31Å; D840-L844 WeakPolarHBondContact O-CG 3.25Å; D840-L844 PolarHBondContact O-N 2.91Å; D840-L844 VanDerWaalsContact O-N 3.12Å
841	T	96.4	Very high	97.6	Very high	71 Å²	71	30.5 Å²	30.5	44%	0.436	16%	0.159	S	C	.	.	H	α-helix	trans	-69.9	-32.1	-175	51.4	0	0	0	0	113.2	N845 L874 M878	T841-N845 WeakPolarHBondContact O-CB 3.5Å; T841-N845 PolarHBondContact O-N 3.34Å; T841-L874 HydrophobicContact CG2-CB 4.4Å; T841-L874 HydrophobicContact CG2-CD1 4.44Å; T841-M878 HydrophobicContact CG2-SD 4.01Å; T841-M878 VanDerWaalsContact O-CE 3.31Å; T841-M878 WeakPolarHBondContact O-CE 3.38Å
842	D	97	Very high	97.5	Very high	125 Å²	125	33.5 Å²	33.5	67%	0.668	17%	0.171	S	C	*	.	H	α-helix	trans	-71.1	-38.9	-179.2	-68.9	-19.6	0	0	0	110.3	D840 N845 K846	D840-D842 WeakPolarHBondContact OD1-CA 3.47Å; D840-D842 WeakPolarHBondContact OD1-CB 3.34Å; D840-D842 PolarHBondContact OD1-N 3.02Å; D842-N845 PolarHBondContact O-N 3.06Å; D842-K846 WeakPolarHBondContact O-CB 3.38Å; D842-K846 PolarHBondContact O-N 3.3Å
843	L	97.9	Very high	97.3	Very high	15 Å²	15	36.9 Å²	36.9	8%	0.079	19%	0.19	C	C	.	.	H	α-helix	trans	-70.9	-36.9	176.4	-63.8	176.4	0	0	0	112.7	P809 W812 V838 D840 K846 L847	P809-L843 HydrophobicContact CB-CD1 4.3Å; P809-L843 HydrophobicContact CG-CD1 4.43Å; W812-L843 HydrophobicContact CB-CD1 3.9Å; W812-L843 HydrophobicContact CD2-CB 4.34Å; W812-L843 HydrophobicContact CD2-CD1 4.41Å; W812-L843 HydrophobicContact CD2-CD2 4.01Å; W812-L843 HydrophobicContact CD2-CG 4.49Å; W812-L843 HydrophobicContact CE3-CD2 3.98Å; W812-L843 HydrophobicContact CG-CB 4.41Å; W812-L843 HydrophobicContact CG-CD1 3.88Å; W812-L843 HydrophobicContact CG-CD2 4.32Å; W812-L843 HydrophobicContact CG-CG 4.44Å; V838-L843 HydrophobicContact CG1-CB 3.88Å; V838-L843 HydrophobicContact CG2-CD1 3.92Å; D840-L843 HydrophobicContact CB-CB 4.2Å; D840-L843 HydrophobicContact CB-CD1 3.95Å; D840-L843 HydrophobicContact CB-CG 4.18Å; D840-L843 PolarHBondContact OD1-N 3.45Å; L843-K846 HydrophobicContact CD2-CD 4.45Å; L843-K846 WeakPolarHBondContact O-CB 3.46Å; L843-K846 PolarHBondContact O-N 2.86Å; L843-L847 PolarHBondContact O-N 3.16Å
844	L	98.2	Very high	96.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64	-43.7	172.1	-70.2	174.3	0	0	0	111.5	A836 V838 D840 K846 L847 L848 V869 N872 L874 M878	A836-L844 WeakPolarHBondContact O-CD2 3.2Å; V838-L844 HydrophobicContact CG1-CD2 3.95Å; V838-L844 HydrophobicContact CG1-CG 4.05Å; D840-L844 VanDerWaalsContact O-CG 3.31Å; D840-L844 WeakPolarHBondContact O-CG 3.25Å; D840-L844 PolarHBondContact O-N 2.91Å; D840-L844 VanDerWaalsContact O-N 3.12Å; L844-K846 VanDerWaalsContact C-N 3.34Å; L844-K846 PolarHBondContact O-N 2.98Å; L844-L847 WeakPolarHBondContact O-CB 3.46Å; L844-L847 PolarHBondContact O-N 3.26Å; L844-L848 PolarHBondContact O-N 2.9Å; L844-V869 HydrophobicContact CD2-CG1 4.41Å; L844-V869 HydrophobicContact CD2-CG2 4.36Å; L844-N872 HydrophobicContact CD1-CB 4.42Å; L844-L874 HydrophobicContact CD1-CB 4.06Å; L844-M878 HydrophobicContact CB-CE 3.83Å; L844-M878 HydrophobicContact CB-SD 4.17Å; L844-M878 HydrophobicContact CD1-SD 4.12Å
845	N	98	Very high	96.3	Very high	78 Å²	78	45.6 Å²	45.6	42%	0.417	24%	0.24	S	C	.	.	H	α-helix	trans	-63.7	-40.8	175.3	-176.3	67.4	0	0	0	111.6	T841 D842 L847 L848 E849 M878	T841-N845 WeakPolarHBondContact O-CB 3.5Å; T841-N845 PolarHBondContact O-N 3.34Å; D842-N845 PolarHBondContact O-N 3.06Å; N845-L847 VanDerWaalsContact C-N 3.26Å; N845-L847 PolarHBondContact O-N 3.24Å; N845-L848 PolarHBondContact O-N 2.97Å; N845-E849 WeakPolarHBondContact O-CG 3.3Å; N845-E849 PolarHBondContact O-N 3.28Å; N845-M878 HydrophobicContact CB-CE 3.97Å
846	K	97.8	Very high	96	Very high	89 Å²	89	47.1 Å²	47.1	39%	0.387	25%	0.249	S	C	.	.	H	α-helix	trans	-57.9	-39.5	173.6	-178.4	-179.8	177.6	-178.7	0	111.9	W812 N813 D842 L843 L844 A850	W812-K846 HydrophobicContact CH2-CD 3.91Å; W812-K846 HydrophobicContact CH2-CG 4.14Å; W812-K846 HydrophobicContact CZ3-CD 3.76Å; W812-K846 HydrophobicContact CZ3-CG 4.48Å; N813-K846 PolarHBondContact OD1-NZ 2.89Å; D842-K846 WeakPolarHBondContact O-CB 3.38Å; D842-K846 PolarHBondContact O-N 3.3Å; L843-K846 HydrophobicContact CD2-CD 4.45Å; L843-K846 WeakPolarHBondContact O-CB 3.46Å; L843-K846 PolarHBondContact O-N 2.86Å; L844-K846 VanDerWaalsContact C-N 3.34Å; L844-K846 PolarHBondContact O-N 2.98Å; K846-A850 WeakPolarHBondContact O-CB 3.27Å; K846-A850 PolarHBondContact O-N 3.22Å
847	L	98.3	Very high	95.8	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.5	-44.2	176.3	-172.4	59.3	0	0	0	112.1	W812 F816 L832 L835 A836 L843 L844 N845 A850 T851 V865 V869	W812-L847 HydrophobicContact CZ2-CB 4.14Å; W812-L847 HydrophobicContact CZ2-CD1 4.4Å; F816-L847 HydrophobicContact CE2-CD1 4.41Å; L832-L847 HydrophobicContact CD2-CD1 4.24Å; L835-L847 HydrophobicContact CB-CD1 4.41Å; L835-L847 HydrophobicContact CB-CD2 3.99Å; L835-L847 HydrophobicContact CD1-CD1 4.48Å; A836-L847 HydrophobicContact CB-CD2 3.89Å; L843-L847 PolarHBondContact O-N 3.16Å; L844-L847 WeakPolarHBondContact O-CB 3.46Å; L844-L847 PolarHBondContact O-N 3.26Å; N845-L847 VanDerWaalsContact C-N 3.26Å; N845-L847 PolarHBondContact O-N 3.24Å; L847-A850 WeakPolarHBondContact O-CB 3.13Å; L847-A850 PolarHBondContact O-N 3.39Å; L847-T851 PolarHBondContact O-N 3.48Å; L847-V865 HydrophobicContact CD1-CG1 4.35Å; L847-V865 HydrophobicContact CD2-CG1 4.1Å; L847-V865 HydrophobicContact CG-CG1 3.74Å; L847-V869 HydrophobicContact CD2-CG2 4.23Å
848	L	98.4	Very high	95.4	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-61.4	-45.9	175.8	-72.6	170.6	0	0	0	111.6	L844 N845 A850 T851 V866 V869 W882	L844-L848 PolarHBondContact O-N 2.9Å; N845-L848 PolarHBondContact O-N 2.97Å; L848-A850 VanDerWaalsContact C-N 3.29Å; L848-A850 PolarHBondContact O-N 3.2Å; L848-T851 WeakPolarHBondContact O-CB 3.38Å; L848-T851 WeakPolarHBondContact O-CG2 2.97Å; L848-T851 PolarHBondContact O-N 2.96Å; L848-T851 VanDerWaalsContact O-N 3.08Å; L848-T851 PolarHBondContact O-OG1 3.29Å; L848-V866 HydrophobicContact CD2-CB 4.46Å; L848-V866 HydrophobicContact CD2-CG2 3.99Å; L848-V869 HydrophobicContact CD1-CG1 4.14Å; L848-V869 HydrophobicContact CD2-CB 4.24Å; L848-V869 HydrophobicContact CD2-CG1 4.35Å; L848-V869 HydrophobicContact CD2-CG2 4.08Å; L848-V869 HydrophobicContact CG-CG1 4.31Å; L848-V869 HydrophobicContact CG-CG2 4.23Å; L848-W882 HydrophobicContact CB-CD2 4.45Å; L848-W882 HydrophobicContact CB-CG 4.24Å; L848-W882 HydrophobicContact CD1-CB 3.97Å; L848-W882 HydrophobicContact CD1-CG 4.03Å; L848-W882 HydrophobicContact CD2-CD2 4.38Å; L848-W882 HydrophobicContact CD2-CG 4.45Å; L848-W882 HydrophobicContact CG-CG 4.49Å
849	E	97.8	Very high	95	Very high	76 Å²	76	48.6 Å²	48.6	36%	0.355	25%	0.253	S	S	.	.	H	α-helix	trans	-67.1	-30.4	178.1	-70.1	-58	118.9	0	0	112.6	N845 T851 K852 W882	N845-E849 WeakPolarHBondContact O-CG 3.3Å; N845-E849 PolarHBondContact O-N 3.28Å; E849-T851 PolarHBondContact O-N 3.49Å; E849-K852 VanDerWaalsContact CD-NZ 3.32Å; E849-K852 PolarHBondContact O-N 3.42Å; E849-K852 VanDerWaalsContact O-N 3.13Å; E849-K852 IonicContact OE1-NZ 2.8Å; E849-K852 PolarHBondContact OE1-NZ 3.42Å; E849-K852 IonicContact OE2-NZ 3.57Å; E849-K852 PolarHBondContact OE2-NZ 3.33Å; E849-W882 PolarHBondContact OE1-NE1 3.09Å
850	A	97.3	Very high	94.8	Very high	14 Å²	14	46.3 Å²	46.3	12%	0.116	24%	0.242	C	C	.	.	H	α-helix	trans	-62.5	-22.2	172.8	0	0	0	0	0	113	F816 K846 L847 L848 K852 D853 V856 V857	F816-A850 HydrophobicContact CZ-CB 4.21Å; K846-A850 WeakPolarHBondContact O-CB 3.27Å; K846-A850 PolarHBondContact O-N 3.22Å; L847-A850 WeakPolarHBondContact O-CB 3.13Å; L847-A850 PolarHBondContact O-N 3.39Å; L848-A850 VanDerWaalsContact C-N 3.29Å; L848-A850 PolarHBondContact O-N 3.2Å; A850-K852 PolarHBondContact O-N 3.36Å; A850-D853 PolarHBondContact O-N 2.9Å; A850-V856 HydrophobicContact CB-CG1 4.29Å; A850-V857 HydrophobicContact CB-CG2 4.28Å
851	T	96.5	Very high	94.7	Very high	4 Å²	4	44.7 Å²	44.7	3%	0.025	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-18.8	176	71.9	0	0	0	0	113.8	L847 L848 E849 D853 V857 L862 V865	L847-T851 PolarHBondContact O-N 3.48Å; L848-T851 WeakPolarHBondContact O-CB 3.38Å; L848-T851 WeakPolarHBondContact O-CG2 2.97Å; L848-T851 PolarHBondContact O-N 2.96Å; L848-T851 VanDerWaalsContact O-N 3.08Å; L848-T851 PolarHBondContact O-OG1 3.29Å; E849-T851 PolarHBondContact O-N 3.49Å; T851-D853 VanDerWaalsContact C-N 3.28Å; T851-V857 HydrophobicContact CG2-CG1 4.38Å; T851-L862 HydrophobicContact CG2-CG 4.46Å; T851-V865 HydrophobicContact CG2-CB 3.74Å; T851-V865 HydrophobicContact CG2-CG1 3.55Å; T851-V865 HydrophobicContact CG2-CG2 4.25Å
852	K	95	Very high	94.7	Very high	65 Å²	65	41.4 Å²	41.4	28%	0.283	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-10	176.7	-63.2	174.6	176.8	163.5	0	113.1	E849 A850 W882 N886 Y889	E849-K852 VanDerWaalsContact CD-NZ 3.32Å; E849-K852 PolarHBondContact O-N 3.42Å; E849-K852 VanDerWaalsContact O-N 3.13Å; E849-K852 IonicContact OE1-NZ 2.8Å; E849-K852 PolarHBondContact OE1-NZ 3.42Å; E849-K852 IonicContact OE2-NZ 3.57Å; E849-K852 PolarHBondContact OE2-NZ 3.33Å; A850-K852 PolarHBondContact O-N 3.36Å; K852-W882 HydrophobicContact CD-CZ2 4.47Å; K852-W882 HydrophobicContact CG-CZ2 4.14Å; K852-N886 WeakPolarHBondContact CE-OD1 3.5Å; K852-N886 PolarHBondContact NZ-OD1 3.44Å; K852-Y889 HydrophobicContact CG-CE1 4.04Å
853	D	93.8	Very high	94.7	Very high	72 Å²	72	36 Å²	36	39%	0.385	18%	0.183	S	C	.	.			trans	-109.7	103	178.2	-175	-10.5	0	0	0	110.6	A850 T851 T855 V856 V857	A850-D853 PolarHBondContact O-N 2.9Å; T851-D853 VanDerWaalsContact C-N 3.28Å; D853-T855 VanDerWaalsContact CG-OG1 3.31Å; D853-T855 PolarHBondContact O-N 3.07Å; D853-T855 WeakPolarHBondContact OD1-CB 3.34Å; D853-T855 PolarHBondContact OD1-N 3.5Å; D853-T855 PolarHBondContact OD1-OG1 2.7Å; D853-T855 PolarHBondContact OD2-OG1 3.4Å; D853-V856 HydrophobicContact CB-CB 4.39Å; D853-V856 HydrophobicContact CB-CG2 4.22Å; D853-V856 WeakPolarHBondContact O-CA 3.28Å; D853-V856 PolarHBondContact O-N 3.4Å; D853-V857 PolarHBondContact O-N 3.31Å
854	E	88.9	Confident	94.6	Very high	89 Å²	89	36.9 Å²	36.9	42%	0.416	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-17.3	-178.7	-69.2	176.4	-173.8	0	0	114.1	V856 V857 R893	E854-V856 PolarHBondContact O-N 2.85Å; E854-V857 VanDerWaalsContact CA-O 3.3Å; E854-V857 WeakPolarHBondContact CA-O 3.24Å; E854-R893 IonicContact OE1-CZ 3.13Å; E854-R893 IonicContact OE1-NE 2.58Å; E854-R893 PolarHBondContact OE1-NE 2.71Å; E854-R893 IonicContact OE1-NH2 2.72Å; E854-R893 PolarHBondContact OE1-NH2 3.45Å; E854-R893 IonicContact OE2-NH2 2.68Å; E854-R893 PolarHBondContact OE2-NH2 2.82Å
855	T	87.3	Confident	94.6	Very high	126 Å²	126	36.9 Å²	36.9	77%	0.773	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-14.4	172.8	75	0	0	0	0	112.1	D853	D853-T855 VanDerWaalsContact CG-OG1 3.31Å; D853-T855 PolarHBondContact O-N 3.07Å; D853-T855 WeakPolarHBondContact OD1-CB 3.34Å; D853-T855 PolarHBondContact OD1-N 3.5Å; D853-T855 PolarHBondContact OD1-OG1 2.7Å; D853-T855 PolarHBondContact OD2-OG1 3.4Å
856	V	91.8	Very high	94.7	Very high	32 Å²	32	33.2 Å²	33.2	19%	0.194	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-54.9	-179.6	-177.1	0	0	0	0	111.1	F816 Y819 A850 D853 E854	F816-V856 HydrophobicContact CE1-CG1 4.49Å; F816-V856 HydrophobicContact CE2-CG1 4.34Å; F816-V856 HydrophobicContact CZ-CG1 3.67Å; Y819-V856 HydrophobicContact CE1-CG1 4.47Å; Y819-V856 VanDerWaalsContact CE1-O 3.24Å; Y819-V856 WeakPolarHBondContact CE1-O 3.47Å; Y819-V856 PolarHBondContact OH-O 3.36Å; A850-V856 HydrophobicContact CB-CG1 4.29Å; D853-V856 HydrophobicContact CB-CB 4.39Å; D853-V856 HydrophobicContact CB-CG2 4.22Å; D853-V856 WeakPolarHBondContact O-CA 3.28Å; D853-V856 PolarHBondContact O-N 3.4Å; E854-V856 PolarHBondContact O-N 2.85Å
857	V	93.8	Very high	94.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-118.6	120.1	177.9	-179.9	0	0	0	0	108.7	Y819 A850 T851 D853 E854 D861 V865	Y819-V857 HydrophobicContact CE1-CG2 4.48Å; Y819-V857 WeakPolarHBondContact OH-CA 3.48Å; A850-V857 HydrophobicContact CB-CG2 4.28Å; T851-V857 HydrophobicContact CG2-CG1 4.38Å; D853-V857 PolarHBondContact O-N 3.31Å; E854-V857 VanDerWaalsContact CA-O 3.3Å; E854-V857 WeakPolarHBondContact CA-O 3.24Å; V857-D861 HydrophobicContact CG1-CB 3.98Å; V857-V865 HydrophobicContact CG1-CG2 4.27Å
858	R	90.9	Very high	94.7	Very high	48 Å²	48	34.9 Å²	34.9	18%	0.181	17%	0.174	C	C	.	.			trans	-61.4	152.5	-178.2	-60.7	-179.7	-178.8	166.8	3.3	110.8	P359 E376 Q860 D861	P359-R858 VanDerWaalsContact O-CD 3.28Å; P359-R858 WeakPolarHBondContact O-CD 3.17Å; P359-R858 PolarHBondContact O-NH1 2.9Å; E376-R858 IonicContact OE1-NH1 2.67Å; E376-R858 IonicContact OE2-CZ 3.21Å; E376-R858 IonicContact OE2-NH1 3.03Å; E376-R858 PolarHBondContact OE2-NH1 3.14Å; E376-R858 IonicContact OE2-NH2 2.66Å; E376-R858 PolarHBondContact OE2-NH2 3.21Å; R858-Q860 HydrophobicContact CB-CG 3.84Å; R858-Q860 PolarHBondContact O-N 3.02Å; R858-D861 PolarHBondContact O-N 3.01Å
859	S	89.4	Confident	94.7	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.021	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-58.9	-38.4	-175.7	-169.1	0	0	0	0	111.8	D360 D861 Y894	D360-S859 PolarHBondContact OD2-N 2.85Å; S859-D861 PolarHBondContact O-N 3.5Å; S859-Y894 PolarHBondContact O-OH 3.26Å; S859-Y894 WeakPolarHBondContact OG-CE1 3.33Å; S859-Y894 PolarHBondContact OG-OH 3.26Å; S859-Y894 VanDerWaalsContact OG-OH 3.13Å
860	Q	89.3	Confident	94.7	Very high	13 Å²	13	31.5 Å²	31.5	6%	0.061	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-61.7	-16.5	175.3	63.5	165.4	33.6	0	0	116.4	D360 F361 R375 R858	D360-Q860 WeakPolarHBondContact OD1-CB 3.37Å; D360-Q860 VanDerWaalsContact OD1-CG 3.24Å; D360-Q860 WeakPolarHBondContact OD1-CG 3.3Å; D360-Q860 PolarHBondContact OD1-N 3.15Å; D360-Q860 VanDerWaalsContact OD1-N 3.11Å; F361-Q860 WeakPolarHBondContact O-CB 3.43Å; F361-Q860 PolarHBondContact O-OE1 2.88Å; R375-Q860 PolarHBondContact NH1-O 3.23Å; R375-Q860 PolarHBondContact NH2-O 2.89Å; R858-Q860 HydrophobicContact CB-CG 3.84Å; R858-Q860 PolarHBondContact O-N 3.02Å
861	D	94.4	Very high	94.6	Very high	18 Å²	18	35.1 Å²	35.1	10%	0.096	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-107.1	-10.1	-171.5	-64.2	-34.3	0	0	0	112.8	R375 L832 V857 R858 S859 F863 T864 V865	R375-D861 IonicContact NH1-OD1 3.61Å; R375-D861 PolarHBondContact NH1-OD1 2.89Å; L832-D861 HydrophobicContact CD1-CB 4.38Å; V857-D861 HydrophobicContact CG1-CB 3.98Å; R858-D861 PolarHBondContact O-N 3.01Å; S859-D861 PolarHBondContact O-N 3.5Å; D861-F863 PolarHBondContact O-N 3.47Å; D861-T864 WeakPolarHBondContact O-CB 3.47Å; D861-T864 PolarHBondContact O-N 2.99Å; D861-T864 VanDerWaalsContact O-N 3.17Å; D861-V865 WeakPolarHBondContact O-CG2 3.37Å; D861-V865 PolarHBondContact O-N 3.24Å
862	L	96.8	Very high	94.5	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-53.8	-54.2	-180	179.4	153.4	0	0	0	111.9	T851 T864 V865 V866 W882 Y889 L890 Y894	T851-L862 HydrophobicContact CG2-CG 4.46Å; L862-T864 PolarHBondContact O-N 3.38Å; L862-V865 PolarHBondContact O-N 3.35Å; L862-V865 VanDerWaalsContact O-N 3.13Å; L862-V866 HydrophobicContact CD2-CG2 4.16Å; L862-V866 WeakPolarHBondContact O-CG2 3.47Å; L862-V866 PolarHBondContact O-N 3.19Å; L862-W882 HydrophobicContact CD1-CH2 4.37Å; L862-W882 HydrophobicContact CD2-CH2 4.4Å; L862-W882 HydrophobicContact CD2-CZ3 4.49Å; L862-Y889 HydrophobicContact CD1-CE1 4.48Å; L862-L890 HydrophobicContact CD1-CD2 4.28Å; L862-L890 HydrophobicContact CD2-CD2 3.85Å; L862-Y894 HydrophobicContact CD1-CE2 4.2Å
863	F	96.9	Very high	94.4	Very high	12 Å²	12	37.4 Å²	37.4	5%	0.053	19%	0.191	C	C	.	.	H	α-helix	trans	-63.6	-32.4	-177.8	-59.8	-64.8	0	0	0	112.3	D861 R867 Y894 N900 L901 L904	D861-F863 PolarHBondContact O-N 3.47Å; F863-R867 VanDerWaalsContact O-CB 3.31Å; F863-R867 WeakPolarHBondContact O-CB 3.37Å; F863-R867 PolarHBondContact O-N 3.07Å; F863-Y894 HydrophobicContact CE1-CD2 4.49Å; F863-Y894 AromaticContact CE2-CD1 3.74Å; F863-Y894 HydrophobicContact CE2-CD1 3.74Å; F863-Y894 HydrophobicContact CE2-CD2 4.17Å; F863-Y894 AromaticContact CE2-CE1 3.62Å; F863-Y894 HydrophobicContact CE2-CE1 3.62Å; F863-Y894 HydrophobicContact CE2-CE2 4.06Å; F863-Y894 HydrophobicContact CE2-CG 4.02Å; F863-Y894 AromaticContact CE2-CZ 3.78Å; F863-Y894 AromaticContact CZ-CD1 3.94Å; F863-Y894 HydrophobicContact CZ-CD1 3.94Å; F863-Y894 AromaticContact CZ-CD2 3.58Å; F863-Y894 HydrophobicContact CZ-CD2 3.58Å; F863-Y894 HydrophobicContact CZ-CE1 4.05Å; F863-Y894 AromaticContact CZ-CE2 3.71Å; F863-Y894 HydrophobicContact CZ-CE2 3.71Å; F863-Y894 AromaticContact CZ-CG 3.7Å; F863-Y894 HydrophobicContact CZ-CG 3.7Å; F863-Y894 AromaticContact CZ-CZ 3.94Å; F863-N900 HydrophobicContact CB-CB 4.41Å; F863-N900 HydrophobicContact CD2-CB 3.34Å; F863-N900 HydrophobicContact CE2-CB 3.6Å; F863-N900 HydrophobicContact CG-CB 3.88Å; F863-N900 HydrophobicContact CZ-CB 4.35Å; F863-L901 HydrophobicContact CE1-CB 4.06Å; F863-L901 HydrophobicContact CE1-CD1 4.06Å; F863-L901 HydrophobicContact CZ-CB 3.85Å; F863-L901 HydrophobicContact CZ-CD1 4.47Å; F863-L904 HydrophobicContact CD1-CB 4.34Å; F863-L904 HydrophobicContact CD1-CD1 4.26Å; F863-L904 HydrophobicContact CD1-CD2 3.99Å; F863-L904 HydrophobicContact CD1-CG 4.43Å; F863-L904 HydrophobicContact CE1-CD2 4.23Å
864	T	96.7	Very high	94.3	Very high	33 Å²	33	37.7 Å²	37.7	20%	0.202	19%	0.192	C	C	.	.	H	α-helix	trans	-65.7	-45	174.6	-59.7	0	0	0	0	111	D861 L862 R867 Y868	D861-T864 WeakPolarHBondContact O-CB 3.47Å; D861-T864 PolarHBondContact O-N 2.99Å; D861-T864 VanDerWaalsContact O-N 3.17Å; L862-T864 PolarHBondContact O-N 3.38Å; T864-R867 WeakPolarHBondContact O-CB 3.42Å; T864-R867 PolarHBondContact O-N 3.44Å; T864-Y868 HydrophobicContact CG2-CD2 3.99Å; T864-Y868 HydrophobicContact CG2-CE1 4.08Å; T864-Y868 HydrophobicContact CG2-CE2 3.39Å; T864-Y868 VanDerWaalsContact CG2-CZ 3.43Å; T864-Y868 PolarHBondContact O-N 3.2Å
865	V	98.3	Very high	94.6	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	17%	0.172	C	C	.	.	H	α-helix	trans	-62.4	-47.9	176.7	172.7	0	0	0	0	111.4	L832 L847 T851 V857 D861 L862 R867 Y868 V869	L832-V865 HydrophobicContact CB-CG2 4.43Å; L832-V865 HydrophobicContact CD1-CG2 3.87Å; L832-V865 HydrophobicContact CD2-CG2 3.95Å; L832-V865 HydrophobicContact CG-CG2 4.31Å; L847-V865 HydrophobicContact CD1-CG1 4.35Å; L847-V865 HydrophobicContact CD2-CG1 4.1Å; L847-V865 HydrophobicContact CG-CG1 3.74Å; T851-V865 HydrophobicContact CG2-CB 3.74Å; T851-V865 HydrophobicContact CG2-CG1 3.55Å; T851-V865 HydrophobicContact CG2-CG2 4.25Å; V857-V865 HydrophobicContact CG1-CG2 4.27Å; D861-V865 WeakPolarHBondContact O-CG2 3.37Å; D861-V865 PolarHBondContact O-N 3.24Å; L862-V865 PolarHBondContact O-N 3.35Å; L862-V865 VanDerWaalsContact O-N 3.13Å; V865-R867 VanDerWaalsContact C-N 3.25Å; V865-R867 PolarHBondContact O-N 3.42Å; V865-Y868 PolarHBondContact O-N 3.35Å; V865-Y868 VanDerWaalsContact O-N 3.13Å; V865-V869 HydrophobicContact CG1-CG2 4.45Å; V865-V869 WeakPolarHBondContact O-CG2 3.41Å; V865-V869 PolarHBondContact O-N 2.97Å
866	V	98.4	Very high	94.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58.9	-40.9	178.2	-179.4	0	0	0	0	110.5	L848 L862 V869 S870 A879 W882 L904 I908	L848-V866 HydrophobicContact CD2-CB 4.46Å; L848-V866 HydrophobicContact CD2-CG2 3.99Å; L862-V866 HydrophobicContact CD2-CG2 4.16Å; L862-V866 WeakPolarHBondContact O-CG2 3.47Å; L862-V866 PolarHBondContact O-N 3.19Å; V866-V869 PolarHBondContact O-N 3.38Å; V866-S870 PolarHBondContact O-N 2.8Å; V866-A879 HydrophobicContact CG1-CB 4.11Å; V866-W882 HydrophobicContact CG2-CE3 4.02Å; V866-W882 HydrophobicContact CG2-CH2 4.34Å; V866-W882 HydrophobicContact CG2-CZ3 3.68Å; V866-L904 HydrophobicContact CB-CD1 4.17Å; V866-L904 HydrophobicContact CG1-CD1 3.92Å; V866-L904 HydrophobicContact CG1-CD2 4.47Å; V866-I908 HydrophobicContact CG1-CG2 4.3Å
867	R	98.3	Very high	95	Very high	96 Å²	96	31 Å²	31	36%	0.362	16%	0.155	S	C	.	.	H	α-helix	trans	-63	-46.1	174.2	-174.4	-178.8	-178.7	-160.3	-4.1	112.3	F863 T864 V865 V869 S870 Y871	F863-R867 VanDerWaalsContact O-CB 3.31Å; F863-R867 WeakPolarHBondContact O-CB 3.37Å; F863-R867 PolarHBondContact O-N 3.07Å; T864-R867 WeakPolarHBondContact O-CB 3.42Å; T864-R867 PolarHBondContact O-N 3.44Å; V865-R867 VanDerWaalsContact C-N 3.25Å; V865-R867 PolarHBondContact O-N 3.42Å; R867-V869 VanDerWaalsContact C-N 3.33Å; R867-V869 PolarHBondContact O-N 2.87Å; R867-S870 WeakPolarHBondContact O-CB 3.49Å; R867-S870 PolarHBondContact O-N 2.99Å; R867-S870 VanDerWaalsContact O-N 3.12Å; R867-S870 PolarHBondContact O-OG 3.35Å; R867-Y871 HydrophobicContact CG-CE1 4.23Å; R867-Y871 HydrophobicContact CG-CE2 4.07Å; R867-Y871 PolarHBondContact NE-OH 3.07Å; R867-Y871 PolarHBondContact NH2-OH 3.33Å; R867-Y871 PolarHBondContact O-N 3Å
868	Y	98.4	Very high	95.1	Very high	29 Å²	29	32.8 Å²	32.8	11%	0.114	16%	0.163	C	C	.	.	H	α-helix	trans	-62.6	-39.1	177.5	-67.5	-21.4	0	0	0	112.7	D829 L832 Y833 T864 V865 S870 Y871	D829-Y868 WeakPolarHBondContact OD1-CE2 3.48Å; D829-Y868 PolarHBondContact OD1-OH 2.87Å; D829-Y868 PolarHBondContact OD2-OH 3.46Å; L832-Y868 HydrophobicContact CB-CD2 4.39Å; L832-Y868 HydrophobicContact CB-CE2 4.47Å; Y833-Y868 AromaticContact CD1-CD1 3.85Å; Y833-Y868 HydrophobicContact CD1-CD1 3.85Å; Y833-Y868 HydrophobicContact CD1-CD2 4.45Å; Y833-Y868 AromaticContact CD1-CE1 3.55Å; Y833-Y868 HydrophobicContact CD1-CE1 3.55Å; Y833-Y868 HydrophobicContact CD1-CE2 4.18Å; Y833-Y868 HydrophobicContact CD1-CG 4.3Å; Y833-Y868 AromaticContact CD1-CZ 3.74Å; Y833-Y868 AromaticContact CD2-CD1 3.91Å; Y833-Y868 HydrophobicContact CD2-CD1 3.91Å; Y833-Y868 HydrophobicContact CD2-CD2 4.26Å; Y833-Y868 HydrophobicContact CD2-CE1 4.45Å; Y833-Y868 AromaticContact CD2-CG 3.82Å; Y833-Y868 HydrophobicContact CD2-CG 3.82Å; Y833-Y868 AromaticContact CE1-CD1 3.96Å; Y833-Y868 HydrophobicContact CE1-CD1 3.96Å; Y833-Y868 AromaticContact CE1-CE1 3.77Å; Y833-Y868 HydrophobicContact CE1-CE1 3.77Å; Y833-Y868 HydrophobicContact CE2-CD1 4.01Å; Y833-Y868 HydrophobicContact CE2-CG 4.28Å; Y833-Y868 AromaticContact CG-CD1 3.85Å; Y833-Y868 HydrophobicContact CG-CD1 3.85Å; Y833-Y868 AromaticContact CG-CD2 3.91Å; Y833-Y868 HydrophobicContact CG-CD2 3.91Å; Y833-Y868 AromaticContact CG-CE1 3.95Å; Y833-Y868 HydrophobicContact CG-CE1 3.95Å; Y833-Y868 HydrophobicContact CG-CE2 4Å; Y833-Y868 AromaticContact CG-CG 3.84Å; Y833-Y868 HydrophobicContact CG-CG 3.84Å; T864-Y868 HydrophobicContact CG2-CD2 3.99Å; T864-Y868 HydrophobicContact CG2-CE1 4.08Å; T864-Y868 HydrophobicContact CG2-CE2 3.39Å; T864-Y868 VanDerWaalsContact CG2-CZ 3.43Å; T864-Y868 PolarHBondContact O-N 3.2Å; V865-Y868 PolarHBondContact O-N 3.35Å; V865-Y868 VanDerWaalsContact O-N 3.13Å; Y868-S870 VanDerWaalsContact C-N 3.31Å; Y868-S870 PolarHBondContact O-N 3.21Å; Y868-Y871 HydrophobicContact CD1-CD2 4.12Å; Y868-Y871 HydrophobicContact CD1-CE2 4.03Å; Y868-Y871 WeakPolarHBondContact O-CB 3.38Å; Y868-Y871 PolarHBondContact O-N 3.38Å
869	V	98.4	Very high	95.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.6	-38.3	173.8	175	0	0	0	0	110.8	A836 L844 L847 L848 V865 V866 R867 Y871 N872 G875 A879	A836-V869 HydrophobicContact CB-CG2 4.12Å; L844-V869 HydrophobicContact CD2-CG1 4.41Å; L844-V869 HydrophobicContact CD2-CG2 4.36Å; L847-V869 HydrophobicContact CD2-CG2 4.23Å; L848-V869 HydrophobicContact CD1-CG1 4.14Å; L848-V869 HydrophobicContact CD2-CB 4.24Å; L848-V869 HydrophobicContact CD2-CG1 4.35Å; L848-V869 HydrophobicContact CD2-CG2 4.08Å; L848-V869 HydrophobicContact CG-CG1 4.31Å; L848-V869 HydrophobicContact CG-CG2 4.23Å; V865-V869 HydrophobicContact CG1-CG2 4.45Å; V865-V869 WeakPolarHBondContact O-CG2 3.41Å; V865-V869 PolarHBondContact O-N 2.97Å; V866-V869 PolarHBondContact O-N 3.38Å; R867-V869 VanDerWaalsContact C-N 3.33Å; R867-V869 PolarHBondContact O-N 2.87Å; V869-Y871 PolarHBondContact O-N 3.35Å; V869-N872 VanDerWaalsContact O-CB 3.29Å; V869-N872 WeakPolarHBondContact O-CB 3.26Å; V869-N872 PolarHBondContact O-N 3Å; V869-G875 CarbonylContact O-C 3.26Å; V869-G875 VanDerWaalsContact O-C 3.26Å; V869-G875 VanDerWaalsContact O-CA 3.26Å; V869-G875 WeakPolarHBondContact O-CA 3.31Å; V869-A879 HydrophobicContact CG1-CB 4.3Å
870	S	97.5	Very high	95.9	Very high	6 Å²	6	30.7 Å²	30.7	4%	0.042	16%	0.155	C	C	.	.	H	α-helix	trans	-62.6	-23.1	177.6	79.6	0	0	0	0	114.2	V866 R867 Y868 N872 Q876	V866-S870 PolarHBondContact O-N 2.8Å; R867-S870 WeakPolarHBondContact O-CB 3.49Å; R867-S870 PolarHBondContact O-N 2.99Å; R867-S870 VanDerWaalsContact O-N 3.12Å; R867-S870 PolarHBondContact O-OG 3.35Å; Y868-S870 VanDerWaalsContact C-N 3.31Å; Y868-S870 PolarHBondContact O-N 3.21Å; S870-N872 VanDerWaalsContact C-N 3.33Å; S870-Q876 WeakPolarHBondContact O-CA 3.49Å
871	Y	95.3	Very high	96.3	Very high	89 Å²	89	33.3 Å²	33.3	35%	0.349	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-15.2	175.6	-59.1	-31.2	0	0	0	113.9	Y833 R867 Y868 V869	Y833-Y871 AromaticContact CE2-CD2 3.96Å; Y833-Y871 HydrophobicContact CE2-CD2 3.96Å; Y833-Y871 AromaticContact CZ-CD2 3.75Å; Y833-Y871 WeakPolarHBondContact OH-CD2 3.42Å; R867-Y871 HydrophobicContact CG-CE1 4.23Å; R867-Y871 HydrophobicContact CG-CE2 4.07Å; R867-Y871 PolarHBondContact NE-OH 3.07Å; R867-Y871 PolarHBondContact NH2-OH 3.33Å; R867-Y871 PolarHBondContact O-N 3Å; Y868-Y871 HydrophobicContact CD1-CD2 4.12Å; Y868-Y871 HydrophobicContact CD1-CE2 4.03Å; Y868-Y871 WeakPolarHBondContact O-CB 3.38Å; Y868-Y871 PolarHBondContact O-N 3.38Å; V869-Y871 PolarHBondContact O-N 3.35Å
872	N	95.1	Very high	96.5	Very high	9 Å²	9	33 Å²	33	5%	0.048	17%	0.167	C	C	.	.	S	Bend	trans	-77	131.2	175.3	-171.2	-51.3	0	0	0	108.9	A836 V838 L844 V869 S870 L874 G875 Q876	A836-N872 PolarHBondContact O-ND2 3.42Å; V838-N872 PolarHBondContact O-ND2 3.03Å; L844-N872 HydrophobicContact CD1-CB 4.42Å; V869-N872 VanDerWaalsContact O-CB 3.29Å; V869-N872 WeakPolarHBondContact O-CB 3.26Å; V869-N872 PolarHBondContact O-N 3Å; S870-N872 VanDerWaalsContact C-N 3.33Å; N872-L874 PolarHBondContact O-N 2.99Å; N872-L874 VanDerWaalsContact O-N 3.15Å; N872-L874 WeakPolarHBondContact OD1-CB 3.29Å; N872-L874 PolarHBondContact OD1-N 3.14Å; N872-G875 CarbonylContact O-C 3.47Å; N872-G875 WeakPolarHBondContact O-CA 3.31Å; N872-G875 PolarHBondContact O-N 2.94Å; N872-Q876 PolarHBondContact O-N 3.35Å
873	P	91.7	Very high	96.6	Very high	108 Å²	108	33 Å²	33	70%	0.701	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-33.4	176.8	-28.1	35.8	0	0	0	114.2
874	L	93.1	Very high	96.6	Very high	78 Å²	78	34 Å²	34	41%	0.408	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-30	173.1	-58.7	-178.5	0	0	0	112.2	E839 T841 L844 N872 M878	E839-L874 HydrophobicContact CB-CD1 4.24Å; T841-L874 HydrophobicContact CG2-CB 4.4Å; T841-L874 HydrophobicContact CG2-CD1 4.44Å; L844-L874 HydrophobicContact CD1-CB 4.06Å; N872-L874 PolarHBondContact O-N 2.99Å; N872-L874 VanDerWaalsContact O-N 3.15Å; N872-L874 WeakPolarHBondContact OD1-CB 3.29Å; N872-L874 PolarHBondContact OD1-N 3.14Å; L874-M878 WeakPolarHBondContact O-CG 3.46Å
875	G	95.4	Very high	96.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-86.5	-14.5	-175.6	0	0	0	0	0	115.3	V869 N872 T877 M878 A879	V869-G875 CarbonylContact O-C 3.26Å; V869-G875 VanDerWaalsContact O-C 3.26Å; V869-G875 VanDerWaalsContact O-CA 3.26Å; V869-G875 WeakPolarHBondContact O-CA 3.31Å; N872-G875 CarbonylContact O-C 3.47Å; N872-G875 WeakPolarHBondContact O-CA 3.31Å; N872-G875 PolarHBondContact O-N 2.94Å; G875-T877 PolarHBondContact O-N 2.97Å; G875-M878 PolarHBondContact O-N 3.36Å; G875-M878 VanDerWaalsContact O-N 3.14Å; G875-A879 WeakPolarHBondContact O-CB 3.24Å; G875-A879 PolarHBondContact O-N 3.46Å
876	Q	93.4	Very high	96.7	Very high	38 Å²	38	40.8 Å²	40.8	18%	0.178	21%	0.208	C	C	.	.	H	α-helix	trans	-52.9	-53.2	-178.7	-178.1	-170.6	56	0	0	112.2	S870 N872 S911 Y912	S870-Q876 WeakPolarHBondContact O-CA 3.49Å; N872-Q876 PolarHBondContact O-N 3.35Å; Q876-S911 PolarHBondContact NE2-OG 3.07Å; Q876-Y912 HydrophobicContact CG-CD1 4.38Å; Q876-Y912 HydrophobicContact CG-CE1 3.74Å
877	T	93.1	Very high	96.6	Very high	68 Å²	68	41.7 Å²	41.7	42%	0.417	21%	0.212	S	C	.	.	H	α-helix	trans	-73.5	-36.4	176.7	-52.3	0	0	0	0	111.4	G875 A879 W880 D881	G875-T877 PolarHBondContact O-N 2.97Å; T877-A879 PolarHBondContact O-N 2.96Å; T877-W880 PolarHBondContact O-N 3.31Å; T877-D881 WeakPolarHBondContact O-CB 3.42Å; T877-D881 PolarHBondContact O-N 3.43Å
878	M	97.3	Very high	96.6	Very high	38 Å²	38	43.6 Å²	43.6	19%	0.187	23%	0.229	C	C	.	.	H	α-helix	trans	-62	-41.8	-179.2	-62.8	176.8	63.8	0	0	112.8	T841 L844 N845 L874 G875 W880 D881 W882	T841-M878 HydrophobicContact CG2-SD 4.01Å; T841-M878 VanDerWaalsContact O-CE 3.31Å; T841-M878 WeakPolarHBondContact O-CE 3.38Å; L844-M878 HydrophobicContact CB-CE 3.83Å; L844-M878 HydrophobicContact CB-SD 4.17Å; L844-M878 HydrophobicContact CD1-SD 4.12Å; N845-M878 HydrophobicContact CB-CE 3.97Å; L874-M878 WeakPolarHBondContact O-CG 3.46Å; G875-M878 PolarHBondContact O-N 3.36Å; G875-M878 VanDerWaalsContact O-N 3.14Å; M878-W880 VanDerWaalsContact C-N 3.35Å; M878-D881 PolarHBondContact O-N 3.42Å; M878-W882 WeakPolarHBondContact O-CB 3.5Å; M878-W882 PolarHBondContact O-N 3.4Å
879	A	98	Very high	96.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.2	-40.5	179.1	0	0	0	0	0	111.7	V866 V869 G875 T877 T883	V866-A879 HydrophobicContact CG1-CB 4.11Å; V869-A879 HydrophobicContact CG1-CB 4.3Å; G875-A879 WeakPolarHBondContact O-CB 3.24Å; G875-A879 PolarHBondContact O-N 3.46Å; T877-A879 PolarHBondContact O-N 2.96Å; A879-T883 VanDerWaalsContact O-CB 3.31Å; A879-T883 WeakPolarHBondContact O-CB 3.21Å; A879-T883 PolarHBondContact O-N 3.32Å; A879-T883 PolarHBondContact O-OG1 3.42Å
880	W	98	Very high	96.3	Very high	8 Å²	8	45.8 Å²	45.8	3%	0.03	24%	0.238	C	C	.	.	H	α-helix	trans	-66.8	-49.8	174.8	173.8	-97.4	0	0	0	112.1	T877 M878 W882 T883 T884 P905 I908 T909 Y912 M921 F924 F925	T877-W880 PolarHBondContact O-N 3.31Å; M878-W880 VanDerWaalsContact C-N 3.35Å; W880-W882 VanDerWaalsContact C-N 3.33Å; W880-W882 PolarHBondContact O-N 2.94Å; W880-T883 PolarHBondContact O-N 2.89Å; W880-T884 HydrophobicContact CD2-CG2 4.05Å; W880-T884 HydrophobicContact CH2-CG2 4.24Å; W880-T884 HydrophobicContact CZ2-CG2 3.72Å; W880-T884 WeakPolarHBondContact O-CG2 3.34Å; W880-T884 PolarHBondContact O-N 3.02Å; W880-T884 PolarHBondContact O-OG1 2.84Å; W880-T884 VanDerWaalsContact O-OG1 3.08Å; W880-P905 HydrophobicContact CZ3-CB 4.29Å; W880-I908 HydrophobicContact CE3-CD1 4.12Å; W880-I908 HydrophobicContact CE3-CG1 4.33Å; W880-T909 HydrophobicContact CD2-CG2 4.35Å; W880-T909 HydrophobicContact CE3-CG2 3.46Å; W880-T909 VanDerWaalsContact CE3-CG2 3.46Å; W880-T909 HydrophobicContact CZ3-CG2 3.64Å; W880-Y912 WeakPolarHBondContact CB-OH 3.43Å; W880-Y912 HydrophobicContact CD2-CE2 4.45Å; W880-Y912 HydrophobicContact CG-CE2 4.48Å; W880-M921 HydrophobicContact CH2-CB 4.13Å; W880-M921 HydrophobicContact CH2-CG 3.69Å; W880-M921 HydrophobicContact CZ2-CB 4.37Å; W880-M921 HydrophobicContact CZ2-CG 3.93Å; W880-M921 HydrophobicContact CZ3-CG 4.18Å; W880-F924 HydrophobicContact CH2-CB 4.41Å; W880-F924 AromaticContact CH2-CD1 3.84Å; W880-F924 HydrophobicContact CH2-CD1 3.84Å; W880-F924 HydrophobicContact CH2-CG 4.42Å; W880-F924 HydrophobicContact CZ2-CB 3.98Å; W880-F924 HydrophobicContact CZ2-CD1 4.12Å; W880-F924 HydrophobicContact CZ2-CG 4.25Å; W880-F925 HydrophobicContact CH2-CE1 4.09Å; W880-F925 HydrophobicContact CH2-CZ 4.22Å
881	D	97.9	Very high	96.2	Very high	68 Å²	68	47.5 Å²	47.5	36%	0.364	25%	0.248	S	C	.	.	H	α-helix	trans	-60.8	-44.1	179.2	-72.7	-10	0	0	0	110.9	T877 M878 T883 T884 L885	T877-D881 WeakPolarHBondContact O-CB 3.42Å; T877-D881 PolarHBondContact O-N 3.43Å; M878-D881 PolarHBondContact O-N 3.42Å; D881-T883 PolarHBondContact O-N 3.29Å; D881-T884 PolarHBondContact O-N 3.42Å; D881-T884 PolarHBondContact O-OG1 2.9Å; D881-T884 VanDerWaalsContact O-OG1 3.1Å; D881-L885 VanDerWaalsContact O-CB 3.24Å; D881-L885 WeakPolarHBondContact O-CB 3.36Å; D881-L885 WeakPolarHBondContact O-CG 3.49Å; D881-L885 PolarHBondContact O-N 3.06Å
882	W	98.4	Very high	96.1	Very high	12 Å²	12	48.2 Å²	48.2	5%	0.045	27%	0.266	C	S	.	.	H	α-helix	trans	-61.1	-45.1	175.3	-174.6	94.4	0	0	0	111.7	L848 E849 K852 L862 V866 M878 W880 T884 L885 N886 L890	L848-W882 HydrophobicContact CB-CD2 4.45Å; L848-W882 HydrophobicContact CB-CG 4.24Å; L848-W882 HydrophobicContact CD1-CB 3.97Å; L848-W882 HydrophobicContact CD1-CG 4.03Å; L848-W882 HydrophobicContact CD2-CD2 4.38Å; L848-W882 HydrophobicContact CD2-CG 4.45Å; L848-W882 HydrophobicContact CG-CG 4.49Å; E849-W882 PolarHBondContact OE1-NE1 3.09Å; K852-W882 HydrophobicContact CD-CZ2 4.47Å; K852-W882 HydrophobicContact CG-CZ2 4.14Å; L862-W882 HydrophobicContact CD1-CH2 4.37Å; L862-W882 HydrophobicContact CD2-CH2 4.4Å; L862-W882 HydrophobicContact CD2-CZ3 4.49Å; V866-W882 HydrophobicContact CG2-CE3 4.02Å; V866-W882 HydrophobicContact CG2-CH2 4.34Å; V866-W882 HydrophobicContact CG2-CZ3 3.68Å; M878-W882 WeakPolarHBondContact O-CB 3.5Å; M878-W882 PolarHBondContact O-N 3.4Å; W880-W882 VanDerWaalsContact C-N 3.33Å; W880-W882 PolarHBondContact O-N 2.94Å; W882-T884 PolarHBondContact O-N 3.47Å; W882-L885 PolarHBondContact O-N 3.43Å; W882-N886 VanDerWaalsContact O-CB 3.32Å; W882-N886 WeakPolarHBondContact O-CB 3.16Å; W882-N886 PolarHBondContact O-N 3.32Å; W882-N886 PolarHBondContact O-ND2 3Å; W882-L890 HydrophobicContact CH2-CD2 4.23Å; W882-L890 HydrophobicContact CZ3-CD1 4.22Å; W882-L890 HydrophobicContact CZ3-CD2 4.2Å
883	T	98.1	Very high	95.8	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.5	-45.6	179.1	-62.3	0	0	0	0	111.4	A879 W880 D881 N886 W887 L890 L904 I908	A879-T883 VanDerWaalsContact O-CB 3.31Å; A879-T883 WeakPolarHBondContact O-CB 3.21Å; A879-T883 PolarHBondContact O-N 3.32Å; A879-T883 PolarHBondContact O-OG1 3.42Å; W880-T883 PolarHBondContact O-N 2.89Å; D881-T883 PolarHBondContact O-N 3.29Å; T883-N886 CarbonylContact O-C 3.58Å; T883-N886 PolarHBondContact O-N 2.89Å; T883-W887 HydrophobicContact CG2-CE3 4.21Å; T883-W887 HydrophobicContact CG2-CZ3 4.4Å; T883-W887 WeakPolarHBondContact O-CA 3.32Å; T883-W887 PolarHBondContact O-N 2.83Å; T883-L890 HydrophobicContact CG2-CD1 4.13Å; T883-L904 HydrophobicContact CG2-CD2 3.53Å; T883-L904 HydrophobicContact CG2-CG 4.26Å; T883-I908 HydrophobicContact CG2-CD1 4.39Å
884	T	97.8	Very high	95.8	Very high	34 Å²	34	45.9 Å²	45.9	21%	0.209	24%	0.243	C	C	.	.	H	α-helix	trans	-72.3	-37.3	-178.1	56.8	0	0	0	0	112.6	W880 D881 W882 N886 F924	W880-T884 HydrophobicContact CD2-CG2 4.05Å; W880-T884 HydrophobicContact CH2-CG2 4.24Å; W880-T884 HydrophobicContact CZ2-CG2 3.72Å; W880-T884 WeakPolarHBondContact O-CG2 3.34Å; W880-T884 PolarHBondContact O-N 3.02Å; W880-T884 PolarHBondContact O-OG1 2.84Å; W880-T884 VanDerWaalsContact O-OG1 3.08Å; D881-T884 PolarHBondContact O-N 3.42Å; D881-T884 PolarHBondContact O-OG1 2.9Å; D881-T884 VanDerWaalsContact O-OG1 3.1Å; W882-T884 PolarHBondContact O-N 3.47Å; T884-N886 VanDerWaalsContact C-N 3.32Å; T884-F924 HydrophobicContact CG2-CB 4.43Å; T884-F924 HydrophobicContact CG2-CD1 3.87Å; T884-F924 HydrophobicContact CG2-CD2 3.61Å; T884-F924 HydrophobicContact CG2-CE1 3.99Å; T884-F924 HydrophobicContact CG2-CE2 3.73Å; T884-F924 HydrophobicContact CG2-CG 3.69Å; T884-F924 HydrophobicContact CG2-CZ 3.91Å
885	L	98.1	Very high	95.9	Very high	144 Å²	144	44.9 Å²	44.9	75%	0.754	24%	0.24	S	C	*	.	H	α-helix	trans	-70.2	-27.2	175.5	-72.3	170.4	0	0	0	113.2	D881 W882	D881-L885 VanDerWaalsContact O-CB 3.24Å; D881-L885 WeakPolarHBondContact O-CB 3.36Å; D881-L885 WeakPolarHBondContact O-CG 3.49Å; D881-L885 PolarHBondContact O-N 3.06Å; W882-L885 PolarHBondContact O-N 3.43Å
886	N	98.1	Very high	95.8	Very high	31 Å²	31	46.9 Å²	46.9	17%	0.166	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	17.1	-179.4	-61.9	-87.5	0	0	0	112.7	K852 W882 T883 T884 D888 Y889 L890	K852-N886 WeakPolarHBondContact CE-OD1 3.5Å; K852-N886 PolarHBondContact NZ-OD1 3.44Å; W882-N886 VanDerWaalsContact O-CB 3.32Å; W882-N886 WeakPolarHBondContact O-CB 3.16Å; W882-N886 PolarHBondContact O-N 3.32Å; W882-N886 PolarHBondContact O-ND2 3Å; T883-N886 CarbonylContact O-C 3.58Å; T883-N886 PolarHBondContact O-N 2.89Å; T884-N886 VanDerWaalsContact C-N 3.32Å; N886-D888 PolarHBondContact O-N 2.94Å; N886-Y889 HydrophobicContact CB-CD1 4.39Å; N886-Y889 WeakPolarHBondContact O-CB 3.4Å; N886-Y889 PolarHBondContact O-N 3.02Å; N886-Y889 VanDerWaalsContact O-N 3.12Å; N886-L890 WeakPolarHBondContact O-CG 3.31Å; N886-L890 PolarHBondContact O-N 2.95Å
887	W	97.8	Very high	95.7	Very high	19 Å²	19	47.1 Å²	47.1	7%	0.072	25%	0.253	C	S	.	.	H	α-helix	trans	-58.2	-44.7	-174.5	-174.2	-104.2	0	0	0	112.8	T883 Y889 L890 V891 L901 P905 F924 T928 R938	T883-W887 HydrophobicContact CG2-CE3 4.21Å; T883-W887 HydrophobicContact CG2-CZ3 4.4Å; T883-W887 WeakPolarHBondContact O-CA 3.32Å; T883-W887 PolarHBondContact O-N 2.83Å; W887-Y889 VanDerWaalsContact C-N 3.3Å; W887-Y889 PolarHBondContact O-N 3.14Å; W887-L890 PolarHBondContact O-N 3.21Å; W887-L890 VanDerWaalsContact O-N 3.13Å; W887-V891 HydrophobicContact CD2-CG2 4.22Å; W887-V891 HydrophobicContact CG-CG2 4.36Å; W887-V891 HydrophobicContact CZ2-CG2 4.03Å; W887-V891 WeakPolarHBondContact O-CG2 3.32Å; W887-V891 PolarHBondContact O-N 2.94Å; W887-L901 HydrophobicContact CE3-CD1 4.28Å; W887-L901 HydrophobicContact CH2-CD1 3.82Å; W887-L901 HydrophobicContact CH2-CG 4.03Å; W887-L901 HydrophobicContact CZ3-CD1 3.58Å; W887-L901 HydrophobicContact CZ3-CG 4.31Å; W887-P905 HydrophobicContact CZ3-CG 4.41Å; W887-F924 HydrophobicContact CB-CE2 4.19Å; W887-F924 HydrophobicContact CB-CZ 3.97Å; W887-F924 HydrophobicContact CD2-CE1 4.38Å; W887-F924 AromaticContact CD2-CZ 3.65Å; W887-F924 HydrophobicContact CD2-CZ 3.65Å; W887-F924 HydrophobicContact CE3-CE1 4.33Å; W887-F924 AromaticContact CE3-CZ 3.88Å; W887-F924 HydrophobicContact CE3-CZ 3.88Å; W887-F924 HydrophobicContact CG-CE2 4.24Å; W887-F924 AromaticContact CG-CZ 3.68Å; W887-F924 HydrophobicContact CG-CZ 3.68Å; W887-T928 HydrophobicContact CG-CG2 4.35Å; W887-R938 VanDerWaalsContact CZ2-NH2 3.28Å
888	D	96.8	Very high	95.8	Very high	137 Å²	137	45.1 Å²	45.1	73%	0.733	24%	0.24	S	C	*	.	H	α-helix	trans	-62.7	-37	178.6	-66.4	-17.9	0	0	0	112.2	N886 S892	N886-D888 PolarHBondContact O-N 2.94Å; D888-S892 VanDerWaalsContact O-CB 3.26Å; D888-S892 WeakPolarHBondContact O-CB 3.26Å; D888-S892 PolarHBondContact O-N 3.14Å
889	Y	95.8	Very high	95.7	Very high	74 Å²	74	45.2 Å²	45.2	29%	0.29	24%	0.238	S	C	.	.	H	α-helix	trans	-63.4	-46.5	173.2	159.9	-98.3	0	0	0	111	K852 L862 N886 W887 S892 R893	K852-Y889 HydrophobicContact CG-CE1 4.04Å; L862-Y889 HydrophobicContact CD1-CE1 4.48Å; N886-Y889 HydrophobicContact CB-CD1 4.39Å; N886-Y889 WeakPolarHBondContact O-CB 3.4Å; N886-Y889 PolarHBondContact O-N 3.02Å; N886-Y889 VanDerWaalsContact O-N 3.12Å; W887-Y889 VanDerWaalsContact C-N 3.3Å; W887-Y889 PolarHBondContact O-N 3.14Å; Y889-S892 PolarHBondContact O-N 3.19Å; Y889-R893 WeakPolarHBondContact O-CB 3.28Å; Y889-R893 PolarHBondContact O-N 3Å
890	L	96.4	Very high	95.6	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.8	-45.5	179.7	-66.3	171.6	0	0	0	111.6	L862 W882 T883 N886 W887 R893 Y894 L901 L904	L862-L890 HydrophobicContact CD1-CD2 4.28Å; L862-L890 HydrophobicContact CD2-CD2 3.85Å; W882-L890 HydrophobicContact CH2-CD2 4.23Å; W882-L890 HydrophobicContact CZ3-CD1 4.22Å; W882-L890 HydrophobicContact CZ3-CD2 4.2Å; T883-L890 HydrophobicContact CG2-CD1 4.13Å; N886-L890 WeakPolarHBondContact O-CG 3.31Å; N886-L890 PolarHBondContact O-N 2.95Å; W887-L890 PolarHBondContact O-N 3.21Å; W887-L890 VanDerWaalsContact O-N 3.13Å; L890-R893 PolarHBondContact O-N 3.5Å; L890-Y894 HydrophobicContact CD2-CE2 4.34Å; L890-Y894 WeakPolarHBondContact O-CD2 3.23Å; L890-Y894 PolarHBondContact O-N 3.16Å; L890-L901 HydrophobicContact CB-CD1 3.75Å; L890-L901 HydrophobicContact CD1-CD1 4.24Å; L890-L904 HydrophobicContact CD1-CD2 4.29Å
891	V	95.5	Very high	95.5	Very high	42 Å²	42	46.8 Å²	46.8	26%	0.255	25%	0.247	S	C	.	.	H	α-helix	trans	-62.6	-42.9	175.9	171.9	0	0	0	0	110.9	W887 R893 T895 I896 L901	W887-V891 HydrophobicContact CD2-CG2 4.22Å; W887-V891 HydrophobicContact CG-CG2 4.36Å; W887-V891 HydrophobicContact CZ2-CG2 4.03Å; W887-V891 WeakPolarHBondContact O-CG2 3.32Å; W887-V891 PolarHBondContact O-N 2.94Å; V891-R893 VanDerWaalsContact C-N 3.27Å; V891-R893 PolarHBondContact O-N 2.98Å; V891-T895 WeakPolarHBondContact O-CA 3.46Å; V891-T895 PolarHBondContact O-N 3.31Å; V891-I896 HydrophobicContact CG1-CG2 3.85Å; V891-I896 HydrophobicContact CG2-CG2 4.33Å; V891-L901 HydrophobicContact CG2-CD2 4.1Å
892	S	92	Very high	95.5	Very high	104 Å²	104	43.7 Å²	43.7	73%	0.727	23%	0.231	S	C	*	.	H	α-helix	trans	-64.4	-32.3	176.8	-177.2	0	0	0	0	112.8	D888 Y889	D888-S892 VanDerWaalsContact O-CB 3.26Å; D888-S892 WeakPolarHBondContact O-CB 3.26Å; D888-S892 PolarHBondContact O-N 3.14Å; Y889-S892 PolarHBondContact O-N 3.19Å
893	R	90.2	Very high	95.4	Very high	47 Å²	47	45.3 Å²	45.3	18%	0.177	24%	0.237	C	C	.	.	H	α-helix	trans	-82.6	-40.6	-175.8	-178.1	71.5	-167.8	88.3	-5.4	112.9	G204 E854 Y889 L890 V891	G204-R893 VanDerWaalsContact C-NH1 3.33Å; G204-R893 PolarHBondContact O-NH1 3.28Å; E854-R893 IonicContact OE1-CZ 3.13Å; E854-R893 IonicContact OE1-NE 2.58Å; E854-R893 PolarHBondContact OE1-NE 2.71Å; E854-R893 IonicContact OE1-NH2 2.72Å; E854-R893 PolarHBondContact OE1-NH2 3.45Å; E854-R893 IonicContact OE2-NH2 2.68Å; E854-R893 PolarHBondContact OE2-NH2 2.82Å; Y889-R893 WeakPolarHBondContact O-CB 3.28Å; Y889-R893 PolarHBondContact O-N 3Å; L890-R893 PolarHBondContact O-N 3.5Å; V891-R893 VanDerWaalsContact C-N 3.27Å; V891-R893 PolarHBondContact O-N 2.98Å
894	Y	91.7	Very high	95.4	Very high	21 Å²	21	45.4 Å²	45.4	8%	0.082	24%	0.237	C	C	.	.	H	α-helix	trans	-113.1	-17	-170.6	-65.2	-81.9	0	0	0	113.5	S859 L862 F863 L890 D898	S859-Y894 PolarHBondContact O-OH 3.26Å; S859-Y894 WeakPolarHBondContact OG-CE1 3.33Å; S859-Y894 PolarHBondContact OG-OH 3.26Å; S859-Y894 VanDerWaalsContact OG-OH 3.13Å; L862-Y894 HydrophobicContact CD1-CE2 4.2Å; F863-Y894 HydrophobicContact CE1-CD2 4.49Å; F863-Y894 AromaticContact CE2-CD1 3.74Å; F863-Y894 HydrophobicContact CE2-CD1 3.74Å; F863-Y894 HydrophobicContact CE2-CD2 4.17Å; F863-Y894 AromaticContact CE2-CE1 3.62Å; F863-Y894 HydrophobicContact CE2-CE1 3.62Å; F863-Y894 HydrophobicContact CE2-CE2 4.06Å; F863-Y894 HydrophobicContact CE2-CG 4.02Å; F863-Y894 AromaticContact CE2-CZ 3.78Å; F863-Y894 AromaticContact CZ-CD1 3.94Å; F863-Y894 HydrophobicContact CZ-CD1 3.94Å; F863-Y894 AromaticContact CZ-CD2 3.58Å; F863-Y894 HydrophobicContact CZ-CD2 3.58Å; F863-Y894 HydrophobicContact CZ-CE1 4.05Å; F863-Y894 AromaticContact CZ-CE2 3.71Å; F863-Y894 HydrophobicContact CZ-CE2 3.71Å; F863-Y894 AromaticContact CZ-CG 3.7Å; F863-Y894 HydrophobicContact CZ-CG 3.7Å; F863-Y894 AromaticContact CZ-CZ 3.94Å; L890-Y894 HydrophobicContact CD2-CE2 4.34Å; L890-Y894 WeakPolarHBondContact O-CD2 3.23Å; L890-Y894 PolarHBondContact O-N 3.16Å; Y894-D898 VanDerWaalsContact O-CB 3.27Å; Y894-D898 WeakPolarHBondContact O-CB 3.4Å
895	T	93.4	Very high	95.3	Very high	58 Å²	58	43.8 Å²	43.8	36%	0.356	23%	0.228	S	C	.	.			trans	67.3	158.8	-169.6	83.7	0	0	0	0	113.3	V891 N897 D898 L901	V891-T895 WeakPolarHBondContact O-CA 3.46Å; V891-T895 PolarHBondContact O-N 3.31Å; T895-N897 PolarHBondContact O-N 2.86Å; T895-N897 PolarHBondContact OG1-N 3.36Å; T895-D898 PolarHBondContact O-N 2.87Å; T895-L901 WeakPolarHBondContact O-CD2 3.34Å
896	I	93.6	Very high	95.2	Very high	42 Å²	42	38.6 Å²	38.6	22%	0.215	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-12	175.4	61.5	170.2	0	0	0	113.4	V891 D898 D930 G932 A933	V891-I896 HydrophobicContact CG1-CG2 3.85Å; V891-I896 HydrophobicContact CG2-CG2 4.33Å; I896-D898 VanDerWaalsContact C-N 3.34Å; I896-D930 VanDerWaalsContact CD1-OD1 3.23Å; I896-D930 WeakPolarHBondContact CD1-OD1 3.32Å; I896-G932 WeakPolarHBondContact O-CA 3.33Å; I896-A933 PolarHBondContact O-N 3.4Å
897	N	92.4	Very high	95.1	Very high	43 Å²	43	40.7 Å²	40.7	23%	0.23	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-8.2	176.1	-68.2	-14.5	0	0	0	112.2	T478 T895 R899	T478-N897 WeakPolarHBondContact CG2-O 3.14Å; T895-N897 PolarHBondContact O-N 2.86Å; T895-N897 PolarHBondContact OG1-N 3.36Å; N897-R899 PolarHBondContact O-N 3Å
898	D	94.6	Very high	95.1	Very high	26 Å²	26	39.9 Å²	39.9	14%	0.139	20%	0.203	C	C	.	.			trans	-72.7	123.6	176.2	-179.3	-83.3	0	0	0	111.6	Y894 T895 I896 N900 L901 G902	Y894-D898 VanDerWaalsContact O-CB 3.27Å; Y894-D898 WeakPolarHBondContact O-CB 3.4Å; T895-D898 PolarHBondContact O-N 2.87Å; I896-D898 VanDerWaalsContact C-N 3.34Å; D898-N900 VanDerWaalsContact C-N 3.33Å; D898-N900 PolarHBondContact O-N 3.37Å; D898-N900 VanDerWaalsContact OD1-CA 3.31Å; D898-N900 WeakPolarHBondContact OD1-CA 3.38Å; D898-N900 VanDerWaalsContact OD1-CB 3.31Å; D898-N900 WeakPolarHBondContact OD1-CB 3.4Å; D898-N900 PolarHBondContact OD1-N 2.84Å; D898-L901 HydrophobicContact CB-CB 4.15Å; D898-L901 PolarHBondContact O-N 3.27Å; D898-L901 PolarHBondContact OD1-N 3.48Å; D898-G902 PolarHBondContact O-N 3.42Å
899	R	94.6	Very high	95.1	Very high	39 Å²	39	33.4 Å²	33.4	15%	0.147	17%	0.169	C	C	.	.	H	α-helix	trans	-64.6	-35.1	-177.6	-166.9	-173.1	-57	159.9	4.7	112.6	T478 F481 N897 R903	T478-R899 PolarHBondContact O-NE 3.26Å; T478-R899 PolarHBondContact OG1-NE 2.88Å; T478-R899 PolarHBondContact OG1-NH2 3Å; F481-R899 VanDerWaalsContact CB-NH2 3.34Å; F481-R899 VanDerWaalsContact CD2-NH2 3.25Å; F481-R899 VanDerWaalsContact CG-CZ 3.41Å; N897-R899 PolarHBondContact O-N 3Å; R899-R903 VanDerWaalsContact CD-CZ 3.48Å; R899-R903 VanDerWaalsContact CD-NH1 3.31Å; R899-R903 WeakPolarHBondContact O-CB 3.35Å; R899-R903 WeakPolarHBondContact O-CD 3.42Å; R899-R903 VanDerWaalsContact O-CG 3.23Å; R899-R903 WeakPolarHBondContact O-CG 3.14Å; R899-R903 PolarHBondContact O-N 3.24Å; R899-R903 VanDerWaalsContact O-N 3.11Å
900	N	95.6	Very high	95	Very high	39 Å²	39	32.8 Å²	32.8	21%	0.209	17%	0.173	C	C	.	.	H	α-helix	trans	-74	-39.1	-178.6	-66	-57.8	0	0	0	111.5	G362 F863 D898 R903 L904	G362-N900 PolarHBondContact O-ND2 2.97Å; F863-N900 HydrophobicContact CB-CB 4.41Å; F863-N900 HydrophobicContact CD2-CB 3.34Å; F863-N900 HydrophobicContact CE2-CB 3.6Å; F863-N900 HydrophobicContact CG-CB 3.88Å; F863-N900 HydrophobicContact CZ-CB 4.35Å; D898-N900 VanDerWaalsContact C-N 3.33Å; D898-N900 PolarHBondContact O-N 3.37Å; D898-N900 VanDerWaalsContact OD1-CA 3.31Å; D898-N900 WeakPolarHBondContact OD1-CA 3.38Å; D898-N900 VanDerWaalsContact OD1-CB 3.31Å; D898-N900 WeakPolarHBondContact OD1-CB 3.4Å; D898-N900 PolarHBondContact OD1-N 2.84Å; N900-R903 PolarHBondContact O-N 3.32Å; N900-L904 PolarHBondContact O-N 2.85Å
901	L	97	Very high	94.8	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-61.4	-49.2	171.4	178.8	58.8	0	0	0	110.9	F863 W887 L890 V891 T895 D898 R903 L904 P905	F863-L901 HydrophobicContact CE1-CB 4.06Å; F863-L901 HydrophobicContact CE1-CD1 4.06Å; F863-L901 HydrophobicContact CZ-CB 3.85Å; F863-L901 HydrophobicContact CZ-CD1 4.47Å; W887-L901 HydrophobicContact CE3-CD1 4.28Å; W887-L901 HydrophobicContact CH2-CD1 3.82Å; W887-L901 HydrophobicContact CH2-CG 4.03Å; W887-L901 HydrophobicContact CZ3-CD1 3.58Å; W887-L901 HydrophobicContact CZ3-CG 4.31Å; L890-L901 HydrophobicContact CB-CD1 3.75Å; L890-L901 HydrophobicContact CD1-CD1 4.24Å; V891-L901 HydrophobicContact CG2-CD2 4.1Å; T895-L901 WeakPolarHBondContact O-CD2 3.34Å; D898-L901 HydrophobicContact CB-CB 4.15Å; D898-L901 PolarHBondContact O-N 3.27Å; D898-L901 PolarHBondContact OD1-N 3.48Å; L901-R903 PolarHBondContact O-N 2.94Å; L901-L904 WeakPolarHBondContact O-CB 3.44Å; L901-L904 PolarHBondContact O-N 3.38Å; L901-L904 VanDerWaalsContact O-N 3.12Å; L901-P905 WeakPolarHBondContact O-CD 3.37Å
902	G	96.9	Very high	94.9	Very high	3 Å²	3	31.9 Å²	31.9	3%	0.031	17%	0.168	C	C	.	.	H	α-helix	trans	-56.9	-38.3	178.5	0	0	0	0	0	112.9	D898 G934 P937	D898-G902 PolarHBondContact O-N 3.42Å; G902-G934 WeakPolarHBondContact O-CA 3.03Å; G902-P937 VanDerWaalsContact O-CB 3.31Å; G902-P937 WeakPolarHBondContact O-CB 3.37Å
903	R	97.3	Very high	95.1	Very high	47 Å²	47	27.7 Å²	27.7	18%	0.177	14%	0.137	C	C	.	.	H	α-helix	trans	-81	-16.4	179.2	-71.9	172.4	175.7	173.8	-0.5	114.6	F481 D482 R899 N900 L901 N906 R907 P937	F481-R903 PolarHBondContact O-NH1 3.48Å; F481-R903 PolarHBondContact O-NH2 3.05Å; D482-R903 VanDerWaalsContact CA-NH2 3.33Å; D482-R903 VanDerWaalsContact CB-NH2 3.26Å; R899-R903 VanDerWaalsContact CD-CZ 3.48Å; R899-R903 VanDerWaalsContact CD-NH1 3.31Å; R899-R903 WeakPolarHBondContact O-CB 3.35Å; R899-R903 WeakPolarHBondContact O-CD 3.42Å; R899-R903 VanDerWaalsContact O-CG 3.23Å; R899-R903 WeakPolarHBondContact O-CG 3.14Å; R899-R903 PolarHBondContact O-N 3.24Å; R899-R903 VanDerWaalsContact O-N 3.11Å; N900-R903 PolarHBondContact O-N 3.32Å; L901-R903 PolarHBondContact O-N 2.94Å; R903-N906 PolarHBondContact O-N 3.23Å; R903-R907 WeakPolarHBondContact O-CG 3.19Å; R903-R907 PolarHBondContact O-N 3.3Å; R903-P937 HydrophobicContact CG-CG 4.09Å
904	L	97.6	Very high	95.4	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-57	-49	-172.5	-179.9	67.2	0	0	0	112.4	F863 V866 T883 L890 N900 L901 N906 R907 I908	F863-L904 HydrophobicContact CD1-CB 4.34Å; F863-L904 HydrophobicContact CD1-CD1 4.26Å; F863-L904 HydrophobicContact CD1-CD2 3.99Å; F863-L904 HydrophobicContact CD1-CG 4.43Å; F863-L904 HydrophobicContact CE1-CD2 4.23Å; V866-L904 HydrophobicContact CB-CD1 4.17Å; V866-L904 HydrophobicContact CG1-CD1 3.92Å; V866-L904 HydrophobicContact CG1-CD2 4.47Å; T883-L904 HydrophobicContact CG2-CD2 3.53Å; T883-L904 HydrophobicContact CG2-CG 4.26Å; L890-L904 HydrophobicContact CD1-CD2 4.29Å; N900-L904 PolarHBondContact O-N 2.85Å; L901-L904 WeakPolarHBondContact O-CB 3.44Å; L901-L904 PolarHBondContact O-N 3.38Å; L901-L904 VanDerWaalsContact O-N 3.12Å; L904-N906 VanDerWaalsContact C-N 3.33Å; L904-N906 PolarHBondContact O-N 3.49Å; L904-R907 PolarHBondContact O-N 3.42Å; L904-R907 VanDerWaalsContact O-N 3.16Å; L904-I908 HydrophobicContact CD1-CG2 3.72Å; L904-I908 HydrophobicContact CG-CD1 4.35Å; L904-I908 HydrophobicContact CG-CG2 4.45Å; L904-I908 WeakPolarHBondContact O-CG1 3.38Å; L904-I908 PolarHBondContact O-N 2.9Å; L904-I908 VanDerWaalsContact O-N 3.12Å
905	P	96.5	Very high	95.7	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-57.9	-42.2	178.6	-25.9	36.1	0	0	0	113.3	W880 W887 L901 T909 F925	W880-P905 HydrophobicContact CZ3-CB 4.29Å; W887-P905 HydrophobicContact CZ3-CG 4.41Å; L901-P905 WeakPolarHBondContact O-CD 3.37Å; P905-T909 WeakPolarHBondContact O-CB 3.47Å; P905-T909 VanDerWaalsContact O-CG2 3.31Å; P905-T909 WeakPolarHBondContact O-CG2 3.46Å; P905-T909 PolarHBondContact O-N 3.01Å; P905-T909 PolarHBondContact O-OG1 3.49Å; P905-F925 HydrophobicContact CB-CE1 3.92Å; P905-F925 HydrophobicContact CB-CZ 3.83Å; P905-F925 HydrophobicContact CG-CE1 4.26Å
906	N	95	Very high	95.9	Very high	35 Å²	35	36 Å²	36	19%	0.187	18%	0.179	C	C	.	.	H	α-helix	trans	-61.5	-47.2	176.6	179.7	-54.6	0	0	0	111.2	R903 L904 I908 T909 T910 P937 Q940 A941	R903-N906 PolarHBondContact O-N 3.23Å; L904-N906 VanDerWaalsContact C-N 3.33Å; L904-N906 PolarHBondContact O-N 3.49Å; N906-I908 PolarHBondContact O-N 2.83Å; N906-T909 PolarHBondContact O-N 2.9Å; N906-T910 VanDerWaalsContact O-CG2 3.27Å; N906-T910 WeakPolarHBondContact O-CG2 3.19Å; N906-P937 HydrophobicContact CB-CB 4.12Å; N906-P937 PolarHBondContact ND2-O 3.49Å; N906-Q940 VanDerWaalsContact ND2-CB 3.3Å; N906-Q940 WeakPolarHBondContact ND2-CB 3.47Å; N906-A941 HydrophobicContact CB-CB 4.07Å
907	R	95.7	Very high	96.1	Very high	75 Å²	75	35 Å²	35	28%	0.283	17%	0.174	S	C	.	.	H	α-helix	trans	-67	-33	-175	-72	176.3	173.6	-178.9	-1.5	114.1	R903 L904	R903-R907 WeakPolarHBondContact O-CG 3.19Å; R903-R907 PolarHBondContact O-N 3.3Å; L904-R907 PolarHBondContact O-N 3.42Å; L904-R907 VanDerWaalsContact O-N 3.16Å
908	I	97.6	Very high	96.4	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-93.9	-8.3	-175.5	71.1	-177.6	0	0	0	113.9	V866 W880 T883 L904 N906	V866-I908 HydrophobicContact CG1-CG2 4.3Å; W880-I908 HydrophobicContact CE3-CD1 4.12Å; W880-I908 HydrophobicContact CE3-CG1 4.33Å; T883-I908 HydrophobicContact CG2-CD1 4.39Å; L904-I908 HydrophobicContact CD1-CG2 3.72Å; L904-I908 HydrophobicContact CG-CD1 4.35Å; L904-I908 HydrophobicContact CG-CG2 4.45Å; L904-I908 WeakPolarHBondContact O-CG1 3.38Å; L904-I908 PolarHBondContact O-N 2.9Å; L904-I908 VanDerWaalsContact O-N 3.12Å; N906-I908 PolarHBondContact O-N 2.83Å
909	T	97	Very high	96.6	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-112.2	6	-177.5	60.7	0	0	0	0	113.9	W880 P905 N906 S911 Y912 M921	W880-T909 HydrophobicContact CD2-CG2 4.35Å; W880-T909 HydrophobicContact CE3-CG2 3.46Å; W880-T909 VanDerWaalsContact CE3-CG2 3.46Å; W880-T909 HydrophobicContact CZ3-CG2 3.64Å; P905-T909 WeakPolarHBondContact O-CB 3.47Å; P905-T909 VanDerWaalsContact O-CG2 3.31Å; P905-T909 WeakPolarHBondContact O-CG2 3.46Å; P905-T909 PolarHBondContact O-N 3.01Å; P905-T909 PolarHBondContact O-OG1 3.49Å; N906-T909 PolarHBondContact O-N 2.9Å; T909-S911 PolarHBondContact O-N 2.89Å; T909-Y912 HydrophobicContact CG2-CD2 3.81Å; T909-Y912 HydrophobicContact CG2-CE2 3.65Å; T909-Y912 HydrophobicContact CG2-CG 4.4Å; T909-Y912 VanDerWaalsContact O-CB 3.3Å; T909-Y912 WeakPolarHBondContact O-CB 3.32Å; T909-Y912 PolarHBondContact O-N 3.06Å; T909-M921 HydrophobicContact CG2-CE 4.07Å; T909-M921 HydrophobicContact CG2-CG 4.4Å; T909-M921 HydrophobicContact CG2-SD 4.06Å; T909-M921 WeakPolarHBondContact OG1-CE 3.5Å
910	T	93.6	Very high	96.8	Very high	61 Å²	61	40.8 Å²	40.8	37%	0.374	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-30.2	-177.6	52.9	0	0	0	0	114.7	N906 N948	N906-T910 VanDerWaalsContact O-CG2 3.27Å; N906-T910 WeakPolarHBondContact O-CG2 3.19Å; T910-N948 PolarHBondContact O-ND2 2.66Å
911	S	94.1	Very high	96.9	Very high	22 Å²	22	38.9 Å²	38.9	15%	0.154	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	0.9	179.4	49.2	0	0	0	0	114.1	Q876 T909 N913	Q876-S911 PolarHBondContact NE2-OG 3.07Å; T909-S911 PolarHBondContact O-N 2.89Å; S911-N913 PolarHBondContact O-N 2.91Å
912	Y	96.9	Very high	97	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.008	20%	0.195	C	C	.	.			trans	-69.3	132.7	176.2	-75.2	15	0	0	0	109.5	Q876 W880 T909 Q917 M921 N948	Q876-Y912 HydrophobicContact CG-CD1 4.38Å; Q876-Y912 HydrophobicContact CG-CE1 3.74Å; W880-Y912 WeakPolarHBondContact CB-OH 3.43Å; W880-Y912 HydrophobicContact CD2-CE2 4.45Å; W880-Y912 HydrophobicContact CG-CE2 4.48Å; T909-Y912 HydrophobicContact CG2-CD2 3.81Å; T909-Y912 HydrophobicContact CG2-CE2 3.65Å; T909-Y912 HydrophobicContact CG2-CG 4.4Å; T909-Y912 VanDerWaalsContact O-CB 3.3Å; T909-Y912 WeakPolarHBondContact O-CB 3.32Å; T909-Y912 PolarHBondContact O-N 3.06Å; Y912-Q917 HydrophobicContact CD1-CG 4.37Å; Y912-Q917 VanDerWaalsContact CD1-NE2 3.35Å; Y912-Q917 HydrophobicContact CD2-CB 3.51Å; Y912-Q917 HydrophobicContact CD2-CG 3.73Å; Y912-Q917 HydrophobicContact CE2-CB 4.14Å; Y912-Q917 HydrophobicContact CE2-CG 4.03Å; Y912-Q917 HydrophobicContact CG-CB 3.88Å; Y912-Q917 HydrophobicContact CG-CG 3.87Å; Y912-M921 HydrophobicContact CD2-CG 4.34Å; Y912-M921 HydrophobicContact CD2-SD 3.75Å; Y912-M921 HydrophobicContact CE2-CG 4.49Å; Y912-M921 HydrophobicContact CE2-SD 4.41Å; Y912-N948 WeakPolarHBondContact O-CB 3.39Å; Y912-N948 PolarHBondContact O-ND2 2.63Å
913	N	96.4	Very high	97	Very high	15 Å²	15	44 Å²	44	8%	0.08	21%	0.21	C	C	.	.			trans	-146.6	20.7	-172.2	65	5	0	0	0	113.3	M716 S911 N948 I949 I952	M716-N913 HydrophobicContact CE-CB 4.12Å; M716-N913 PolarHBondContact O-ND2 3.06Å; M716-N913 HydrophobicContact SD-CB 3.74Å; S911-N913 PolarHBondContact O-N 2.91Å; N913-N948 HydrophobicContact CB-CB 3.84Å; N913-I949 VanDerWaalsContact C-CG1 3.45Å; N913-I949 WeakPolarHBondContact O-CG1 3.42Å; N913-I952 HydrophobicContact CB-CG1 4.36Å
914	T	96.6	Very high	97.1	Very high	53 Å²	53	42.8 Å²	42.8	33%	0.325	21%	0.206	S	C	.	.	S	Bend	trans	-123.4	150.8	178.6	70.2	0	0	0	0	112.7	L916 Q917 L918	T914-L916 PolarHBondContact O-N 3.21Å; T914-Q917 VanDerWaalsContact N-OE1 3.11Å; T914-Q917 PolarHBondContact O-N 3.02Å; T914-Q917 WeakPolarHBondContact OG1-CB 3.41Å; T914-Q917 WeakPolarHBondContact OG1-CG 3.36Å; T914-Q917 PolarHBondContact OG1-N 2.91Å; T914-Q917 PolarHBondContact OG1-OE1 2.92Å; T914-L918 PolarHBondContact O-N 3.41Å
915	K	97.9	Very high	97.1	Very high	135 Å²	135	43.7 Å²	43.7	59%	0.587	21%	0.21	S	C	*	.	H	α-helix	trans	-60.2	-29.4	175.7	-68.7	175.1	-177.8	159.4	0	112.9	W919 I949 E953	K915-W919 WeakPolarHBondContact O-CB 3.31Å; K915-W919 PolarHBondContact O-N 3.24Å; K915-I949 HydrophobicContact CG-CD1 4.26Å; K915-I949 HydrophobicContact CG-CG2 4.2Å; K915-E953 WeakPolarHBondContact CE-OE1 3.41Å; K915-E953 IonicContact NZ-OE1 2.66Å; K915-E953 PolarHBondContact NZ-OE1 2.88Å
916	L	97.4	Very high	97.1	Very high	112 Å²	112	50.9 Å²	50.9	59%	0.586	24%	0.241	S	C	*	.	H	α-helix	trans	-68	-47.6	176.1	178.2	61.1	0	0	0	111.4	T914 W919 Q920	T914-L916 PolarHBondContact O-N 3.21Å; L916-W919 HydrophobicContact CD1-CE3 4.21Å; L916-W919 PolarHBondContact O-N 2.93Å; L916-Q920 WeakPolarHBondContact O-CG 3.42Å; L916-Q920 PolarHBondContact O-N 3.12Å
917	Q	97.8	Very high	97.2	Very high	22 Å²	22	55.1 Å²	55.1	10%	0.103	26%	0.263	C	S	.	.	H	α-helix	trans	-59.8	-45.8	176.2	-80.2	165.5	-36.5	0	0	111.8	Y912 T914 W919 Q920 M921	Y912-Q917 HydrophobicContact CD1-CG 4.37Å; Y912-Q917 VanDerWaalsContact CD1-NE2 3.35Å; Y912-Q917 HydrophobicContact CD2-CB 3.51Å; Y912-Q917 HydrophobicContact CD2-CG 3.73Å; Y912-Q917 HydrophobicContact CE2-CB 4.14Å; Y912-Q917 HydrophobicContact CE2-CG 4.03Å; Y912-Q917 HydrophobicContact CG-CB 3.88Å; Y912-Q917 HydrophobicContact CG-CG 3.87Å; T914-Q917 VanDerWaalsContact N-OE1 3.11Å; T914-Q917 PolarHBondContact O-N 3.02Å; T914-Q917 WeakPolarHBondContact OG1-CB 3.41Å; T914-Q917 WeakPolarHBondContact OG1-CG 3.36Å; T914-Q917 PolarHBondContact OG1-N 2.91Å; T914-Q917 PolarHBondContact OG1-OE1 2.92Å; Q917-W919 VanDerWaalsContact C-N 3.32Å; Q917-W919 PolarHBondContact O-N 3.36Å; Q917-Q920 WeakPolarHBondContact O-CB 3.41Å; Q917-Q920 PolarHBondContact O-N 3.34Å; Q917-Q920 VanDerWaalsContact O-N 3.16Å; Q917-M921 WeakPolarHBondContact O-CG 3.36Å; Q917-M921 PolarHBondContact O-N 3.5Å
918	L	98.5	Very high	97.3	Very high	22 Å²	22	52.7 Å²	52.7	12%	0.115	26%	0.257	C	S	.	.	H	α-helix	trans	-57.6	-46.2	175.4	-179.8	61.8	0	0	0	111.6	T914 Q920 M921 E922 L942 V945 R946 I949	T914-L918 PolarHBondContact O-N 3.41Å; L918-Q920 VanDerWaalsContact C-N 3.33Å; L918-Q920 PolarHBondContact O-N 3.43Å; L918-M921 PolarHBondContact O-N 2.99Å; L918-E922 HydrophobicContact CD1-CG 4.35Å; L918-E922 WeakPolarHBondContact O-CG 3.05Å; L918-E922 PolarHBondContact O-N 3.23Å; L918-L942 HydrophobicContact CD1-CD2 3.77Å; L918-V945 HydrophobicContact CB-CG1 3.96Å; L918-V945 HydrophobicContact CD1-CB 4.37Å; L918-V945 HydrophobicContact CD1-CG1 4.19Å; L918-R946 HydrophobicContact CD1-CG 4.07Å; L918-R946 HydrophobicContact CD2-CG 3.6Å; L918-I949 HydrophobicContact CB-CD1 4Å; L918-I949 HydrophobicContact CD2-CD1 3.94Å
919	W	98.4	Very high	97.1	Very high	146 Å²	146	57.8 Å²	57.8	55%	0.553	29%	0.29	S	S	*	.	H	α-helix	trans	-61.1	-39.9	177	172.3	84.8	0	0	0	112.5	K915 L916 Q917 E922 N923	K915-W919 WeakPolarHBondContact O-CB 3.31Å; K915-W919 PolarHBondContact O-N 3.24Å; L916-W919 HydrophobicContact CD1-CE3 4.21Å; L916-W919 PolarHBondContact O-N 2.93Å; Q917-W919 VanDerWaalsContact C-N 3.32Å; Q917-W919 PolarHBondContact O-N 3.36Å; W919-E922 PolarHBondContact O-N 3.18Å; W919-N923 HydrophobicContact CZ2-CB 4.46Å; W919-N923 VanDerWaalsContact O-CB 3.24Å; W919-N923 WeakPolarHBondContact O-CB 3.47Å; W919-N923 PolarHBondContact O-N 2.93Å
920	Q	98.2	Very high	97	Very high	61 Å²	61	62.8 Å²	62.8	29%	0.285	32%	0.316	S	S	.	.	H	α-helix	trans	-60.9	-45.4	176.6	-72.1	171.1	-49.7	0	0	111.4	L916 Q917 L918 N923 F924	L916-Q920 WeakPolarHBondContact O-CG 3.42Å; L916-Q920 PolarHBondContact O-N 3.12Å; Q917-Q920 WeakPolarHBondContact O-CB 3.41Å; Q917-Q920 PolarHBondContact O-N 3.34Å; Q917-Q920 VanDerWaalsContact O-N 3.16Å; L918-Q920 VanDerWaalsContact C-N 3.33Å; L918-Q920 PolarHBondContact O-N 3.43Å; Q920-N923 PolarHBondContact O-N 2.88Å; Q920-F924 WeakPolarHBondContact O-CB 3.35Å; Q920-F924 PolarHBondContact O-N 2.76Å
921	M	98.5	Very high	97	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-62.4	-50.7	176.7	-65.2	168.5	69.1	0	0	111.5	W880 T909 Y912 Q917 L918 N923 F924 F925 A941 L942 V945	W880-M921 HydrophobicContact CH2-CB 4.13Å; W880-M921 HydrophobicContact CH2-CG 3.69Å; W880-M921 HydrophobicContact CZ2-CB 4.37Å; W880-M921 HydrophobicContact CZ2-CG 3.93Å; W880-M921 HydrophobicContact CZ3-CG 4.18Å; T909-M921 HydrophobicContact CG2-CE 4.07Å; T909-M921 HydrophobicContact CG2-CG 4.4Å; T909-M921 HydrophobicContact CG2-SD 4.06Å; T909-M921 WeakPolarHBondContact OG1-CE 3.5Å; Y912-M921 HydrophobicContact CD2-CG 4.34Å; Y912-M921 HydrophobicContact CD2-SD 3.75Å; Y912-M921 HydrophobicContact CE2-CG 4.49Å; Y912-M921 HydrophobicContact CE2-SD 4.41Å; Q917-M921 WeakPolarHBondContact O-CG 3.36Å; Q917-M921 PolarHBondContact O-N 3.5Å; L918-M921 PolarHBondContact O-N 2.99Å; M921-N923 VanDerWaalsContact C-N 3.28Å; M921-N923 PolarHBondContact O-N 3.03Å; M921-F924 PolarHBondContact O-N 2.71Å; M921-F925 HydrophobicContact CB-CE2 4.11Å; M921-F925 HydrophobicContact CB-CZ 4.42Å; M921-F925 HydrophobicContact CE-CE2 4.28Å; M921-F925 HydrophobicContact CE-CZ 4.38Å; M921-F925 WeakPolarHBondContact O-CD2 3.32Å; M921-F925 VanDerWaalsContact O-CG 3.25Å; M921-F925 WeakPolarHBondContact O-CG 3.44Å; M921-F925 PolarHBondContact O-N 3.5Å; M921-A941 HydrophobicContact CE-CB 3.68Å; M921-L942 HydrophobicContact CB-CD2 3.89Å; M921-L942 HydrophobicContact CE-CD2 4.3Å; M921-V945 HydrophobicContact CE-CG2 4.01Å; M921-V945 HydrophobicContact SD-CB 4.36Å; M921-V945 HydrophobicContact SD-CG1 4.44Å; M921-V945 HydrophobicContact SD-CG2 3.76Å
922	E	98.4	Very high	97.1	Very high	48 Å²	48	60.1 Å²	60.1	22%	0.224	30%	0.304	C	S	.	.	H	α-helix	trans	-59.4	-39.9	178.5	-72	-177	165	0	0	112.1	L918 W919 K926 L942 R946	L918-E922 HydrophobicContact CD1-CG 4.35Å; L918-E922 WeakPolarHBondContact O-CG 3.05Å; L918-E922 PolarHBondContact O-N 3.23Å; W919-E922 PolarHBondContact O-N 3.18Å; E922-K926 WeakPolarHBondContact O-CB 3.38Å; E922-K926 WeakPolarHBondContact O-CD 3.13Å; E922-K926 WeakPolarHBondContact O-CG 3.44Å; E922-K926 PolarHBondContact O-N 2.96Å; E922-K926 VanDerWaalsContact O-N 3.07Å; E922-L942 HydrophobicContact CG-CD1 4.43Å; E922-L942 HydrophobicContact CG-CD2 3.67Å; E922-R946 IonicContact OE1-CZ 2.61Å; E922-R946 IonicContact OE1-NE 3.84Å; E922-R946 IonicContact OE1-NH2 3.37Å; E922-R946 PolarHBondContact OE1-NH2 2.94Å
923	N	98.1	Very high	97.1	Very high	64 Å²	64	60.2 Å²	60.2	34%	0.342	30%	0.304	S	S	.	.	H	α-helix	trans	-66.1	-46	177.2	-175.5	72.2	0	0	0	111.4	W919 Q920 M921 K926 L927	W919-N923 HydrophobicContact CZ2-CB 4.46Å; W919-N923 VanDerWaalsContact O-CB 3.24Å; W919-N923 WeakPolarHBondContact O-CB 3.47Å; W919-N923 PolarHBondContact O-N 2.93Å; Q920-N923 PolarHBondContact O-N 2.88Å; M921-N923 VanDerWaalsContact C-N 3.28Å; M921-N923 PolarHBondContact O-N 3.03Å; N923-K926 PolarHBondContact O-N 3.38Å; N923-L927 WeakPolarHBondContact O-CG 2.97Å; N923-L927 PolarHBondContact O-N 3.49Å; N923-L927 VanDerWaalsContact O-N 3.11Å
924	F	98.3	Very high	97.1	Very high	22 Å²	22	59.5 Å²	59.5	10%	0.096	30%	0.301	C	S	.	.	H	α-helix	trans	-62.2	-45.5	177.6	174.7	-110.2	0	0	0	112.2	W880 T884 W887 Q920 M921 K926 L927 T928	W880-F924 HydrophobicContact CH2-CB 4.41Å; W880-F924 AromaticContact CH2-CD1 3.84Å; W880-F924 HydrophobicContact CH2-CD1 3.84Å; W880-F924 HydrophobicContact CH2-CG 4.42Å; W880-F924 HydrophobicContact CZ2-CB 3.98Å; W880-F924 HydrophobicContact CZ2-CD1 4.12Å; W880-F924 HydrophobicContact CZ2-CG 4.25Å; T884-F924 HydrophobicContact CG2-CB 4.43Å; T884-F924 HydrophobicContact CG2-CD1 3.87Å; T884-F924 HydrophobicContact CG2-CD2 3.61Å; T884-F924 HydrophobicContact CG2-CE1 3.99Å; T884-F924 HydrophobicContact CG2-CE2 3.73Å; T884-F924 HydrophobicContact CG2-CG 3.69Å; T884-F924 HydrophobicContact CG2-CZ 3.91Å; W887-F924 HydrophobicContact CB-CE2 4.19Å; W887-F924 HydrophobicContact CB-CZ 3.97Å; W887-F924 HydrophobicContact CD2-CE1 4.38Å; W887-F924 AromaticContact CD2-CZ 3.65Å; W887-F924 HydrophobicContact CD2-CZ 3.65Å; W887-F924 HydrophobicContact CE3-CE1 4.33Å; W887-F924 AromaticContact CE3-CZ 3.88Å; W887-F924 HydrophobicContact CE3-CZ 3.88Å; W887-F924 HydrophobicContact CG-CE2 4.24Å; W887-F924 AromaticContact CG-CZ 3.68Å; W887-F924 HydrophobicContact CG-CZ 3.68Å; Q920-F924 WeakPolarHBondContact O-CB 3.35Å; Q920-F924 PolarHBondContact O-N 2.76Å; M921-F924 PolarHBondContact O-N 2.71Å; F924-K926 VanDerWaalsContact C-N 3.3Å; F924-K926 PolarHBondContact O-N 2.92Å; F924-L927 PolarHBondContact O-N 3.46Å; F924-T928 HydrophobicContact CD2-CG2 4.37Å; F924-T928 HydrophobicContact CE2-CG2 3.8Å; F924-T928 HydrophobicContact CZ-CG2 4.04Å; F924-T928 PolarHBondContact O-N 3Å; F924-T928 PolarHBondContact O-OG1 3.49Å
925	F	98.2	Very high	97.2	Very high	19 Å²	19	62.2 Å²	62.2	8%	0.083	31%	0.31	C	S	.	.	H	α-helix	trans	-65.6	-32.4	178.6	-60.2	-23.9	0	0	0	112.6	W880 P905 M921 L927 T928 R938 L942	W880-F925 HydrophobicContact CH2-CE1 4.09Å; W880-F925 HydrophobicContact CH2-CZ 4.22Å; P905-F925 HydrophobicContact CB-CE1 3.92Å; P905-F925 HydrophobicContact CB-CZ 3.83Å; P905-F925 HydrophobicContact CG-CE1 4.26Å; M921-F925 HydrophobicContact CB-CE2 4.11Å; M921-F925 HydrophobicContact CB-CZ 4.42Å; M921-F925 HydrophobicContact CE-CE2 4.28Å; M921-F925 HydrophobicContact CE-CZ 4.38Å; M921-F925 WeakPolarHBondContact O-CD2 3.32Å; M921-F925 VanDerWaalsContact O-CG 3.25Å; M921-F925 WeakPolarHBondContact O-CG 3.44Å; M921-F925 PolarHBondContact O-N 3.5Å; F925-L927 VanDerWaalsContact C-N 3.34Å; F925-T928 CarbonylContact O-C 3.54Å; F925-T928 VanDerWaalsContact O-C 3.31Å; F925-T928 PolarHBondContact O-N 2.79Å; F925-R938 HydrophobicContact CD1-CG 4.02Å; F925-R938 HydrophobicContact CD2-CB 4.14Å; F925-R938 HydrophobicContact CD2-CG 4.23Å; F925-R938 HydrophobicContact CE1-CG 3.79Å; F925-R938 HydrophobicContact CE2-CB 3.96Å; F925-R938 HydrophobicContact CE2-CG 4Å; F925-R938 HydrophobicContact CG-CG 4.26Å; F925-R938 HydrophobicContact CZ-CB 4.24Å; F925-R938 HydrophobicContact CZ-CG 3.79Å; F925-L942 HydrophobicContact CD2-CD1 4.07Å; F925-L942 HydrophobicContact CD2-CD2 4.06Å; F925-L942 HydrophobicContact CD2-CG 4.06Å; F925-L942 HydrophobicContact CE2-CD1 4.43Å; F925-L942 HydrophobicContact CE2-CD2 3.95Å; F925-L942 HydrophobicContact CE2-CG 3.93Å
926	K	97.4	Very high	97	Very high	152 Å²	152	57.5 Å²	57.5	66%	0.661	29%	0.291	S	S	*	.	H	α-helix	trans	-66.1	-34.4	171	-75.3	166.4	-173.2	165.3	0	113	E922 N923 F924 T928	E922-K926 WeakPolarHBondContact O-CB 3.38Å; E922-K926 WeakPolarHBondContact O-CD 3.13Å; E922-K926 WeakPolarHBondContact O-CG 3.44Å; E922-K926 PolarHBondContact O-N 2.96Å; E922-K926 VanDerWaalsContact O-N 3.07Å; N923-K926 PolarHBondContact O-N 3.38Å; F924-K926 VanDerWaalsContact C-N 3.3Å; F924-K926 PolarHBondContact O-N 2.92Å; K926-T928 VanDerWaalsContact C-N 3.3Å
927	L	96.9	Very high	97	Very high	125 Å²	125	52.6 Å²	52.6	65%	0.654	27%	0.265	S	S	*	.	H	α-helix	trans	-77.1	-18.6	177.3	-68.6	172	0	0	0	112.8	N923 F924 F925 P929	N923-L927 WeakPolarHBondContact O-CG 2.97Å; N923-L927 PolarHBondContact O-N 3.49Å; N923-L927 VanDerWaalsContact O-N 3.11Å; F924-L927 PolarHBondContact O-N 3.46Å; F925-L927 VanDerWaalsContact C-N 3.34Å; L927-P929 VanDerWaalsContact C-CD 3.45Å
928	T	96.1	Very high	97	Very high	24 Å²	24	52.2 Å²	52.2	15%	0.147	26%	0.263	C	S	.	.			trans	-127.3	58.1	-178	55.3	0	0	0	0	110.9	W887 F924 F925 K926 D930 R938	W887-T928 HydrophobicContact CG-CG2 4.35Å; F924-T928 HydrophobicContact CD2-CG2 4.37Å; F924-T928 HydrophobicContact CE2-CG2 3.8Å; F924-T928 HydrophobicContact CZ-CG2 4.04Å; F924-T928 PolarHBondContact O-N 3Å; F924-T928 PolarHBondContact O-OG1 3.49Å; F925-T928 CarbonylContact O-C 3.54Å; F925-T928 VanDerWaalsContact O-C 3.31Å; F925-T928 PolarHBondContact O-N 2.79Å; K926-T928 VanDerWaalsContact C-N 3.3Å; T928-D930 PolarHBondContact O-N 3.19Å; T928-D930 VanDerWaalsContact O-N 3.17Å; T928-R938 PolarHBondContact O-NH1 3.38Å; T928-R938 PolarHBondContact O-NH2 3.01Å; T928-R938 PolarHBondContact OG1-NH2 3.24Å
929	P	94.7	Very high	96.9	Very high	107 Å²	107	55.8 Å²	55.8	70%	0.695	28%	0.279	S	S	*	.			trans	-65.7	-23.9	-167	27.9	-36.3	0	0	0	114	L927 A931	L927-P929 VanDerWaalsContact C-CD 3.45Å; P929-A931 PolarHBondContact O-N 3Å; P929-A931 VanDerWaalsContact O-N 3.15Å
930	D	94.6	Very high	96.9	Very high	106 Å²	106	50.2 Å²	50.2	57%	0.567	26%	0.259	S	S	*	.			trans	-76.6	98.5	174.5	-170.2	6.8	0	0	0	110.1	I896 T928	I896-D930 VanDerWaalsContact CD1-OD1 3.23Å; I896-D930 WeakPolarHBondContact CD1-OD1 3.32Å; T928-D930 PolarHBondContact O-N 3.19Å; T928-D930 VanDerWaalsContact O-N 3.17Å
931	A	94.1	Very high	96.8	Very high	13 Å²	13	47.3 Å²	47.3	11%	0.107	25%	0.246	C	C	.	.			trans	-99	-18	-171.6	0	0	0	0	0	113.7	P929 A933 G934 E935	P929-A931 PolarHBondContact O-N 3Å; P929-A931 VanDerWaalsContact O-N 3.15Å; A931-A933 PolarHBondContact O-N 3.36Å; A931-G934 VanDerWaalsContact O-CA 3.31Å; A931-G934 WeakPolarHBondContact O-CA 3.47Å; A931-G934 PolarHBondContact O-N 2.99Å; A931-E935 HydrophobicContact CB-CB 4.09Å
932	G	96.3	Very high	96.8	Very high	15 Å²	15	48.6 Å²	48.6	16%	0.155	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	41.9	-125.6	-170.9	0	0	0	0	0	112.4	I896 G934 E935	I896-G932 WeakPolarHBondContact O-CA 3.33Å; G932-G934 PolarHBondContact O-N 3.35Å; G932-E935 PolarHBondContact O-N 3.5Å; G932-E935 VanDerWaalsContact O-N 3.15Å
933	A	96.4	Very high	96.8	Very high	3 Å²	3	46.8 Å²	46.8	3%	0.025	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-63.2	-9.6	179.4	0	0	0	0	0	114.3	T478 S479 I896 A931	T478-A933 HydrophobicContact CG2-CB 3.68Å; S479-A933 VanDerWaalsContact OG-CA 3.24Å; S479-A933 WeakPolarHBondContact OG-CA 3.45Å; S479-A933 PolarHBondContact OG-O 2.84Å; I896-A933 PolarHBondContact O-N 3.4Å; A931-A933 PolarHBondContact O-N 3.36Å
934	G	97.2	Very high	96.7	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.01	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-90	-1.4	177.1	0	0	0	0	0	115.3	G902 A931 G932 R938	G902-G934 WeakPolarHBondContact O-CA 3.03Å; A931-G934 VanDerWaalsContact O-CA 3.31Å; A931-G934 WeakPolarHBondContact O-CA 3.47Å; A931-G934 PolarHBondContact O-N 2.99Å; G932-G934 PolarHBondContact O-N 3.35Å; G934-R938 WeakPolarHBondContact O-CB 3.41Å; G934-R938 WeakPolarHBondContact O-CD 3.44Å; G934-R938 WeakPolarHBondContact O-CG 3.3Å; G934-R938 PolarHBondContact O-N 2.95Å
935	E	97	Very high	96.7	Very high	109 Å²	109	43.8 Å²	43.8	51%	0.509	23%	0.23	S	C	.	.	H	α-helix	trans	-58.4	-58	-178.1	-177.9	166.5	-172.7	0	0	112.4	A931 G932 R938 Q939	A931-E935 HydrophobicContact CB-CB 4.09Å; G932-E935 PolarHBondContact O-N 3.5Å; G932-E935 VanDerWaalsContact O-N 3.15Å; E935-R938 PolarHBondContact O-N 3.41Å; E935-Q939 WeakPolarHBondContact O-CG 3.27Å; E935-Q939 PolarHBondContact O-N 3.02Å
936	M	95.1	Very high	96.7	Very high	37 Å²	37	47.8 Å²	47.8	18%	0.182	24%	0.244	C	C	.	.	H	α-helix	trans	-62.8	-47.5	177.4	177.3	-164.6	-63	0	0	112.3	H465 R938 Q939 Q940	H465-M936 HydrophobicContact CB-CE 4.24Å; H465-M936 VanDerWaalsContact CD2-CE 3.48Å; H465-M936 WeakPolarHBondContact CD2-CE 3.44Å; M936-R938 VanDerWaalsContact C-N 3.26Å; M936-R938 PolarHBondContact O-N 3.4Å; M936-Q939 WeakPolarHBondContact O-CB 3.27Å; M936-Q939 PolarHBondContact O-N 3.48Å; M936-Q940 HydrophobicContact CG-CG 4.48Å; M936-Q940 PolarHBondContact O-N 2.88Å
937	P	96.9	Very high	96.7	Very high	9 Å²	9	41 Å²	41	6%	0.058	22%	0.215	C	C	.	.	H	α-helix	trans	-54.4	-36.9	174.3	-30.4	35	0	0	0	114.7	G902 R903 N906 A941	G902-P937 VanDerWaalsContact O-CB 3.31Å; G902-P937 WeakPolarHBondContact O-CB 3.37Å; R903-P937 HydrophobicContact CG-CG 4.09Å; N906-P937 HydrophobicContact CB-CB 4.12Å; N906-P937 PolarHBondContact ND2-O 3.49Å; P937-A941 VanDerWaalsContact O-CB 3.3Å; P937-A941 WeakPolarHBondContact O-CB 3.3Å; P937-A941 PolarHBondContact O-N 3.34Å
938	R	97.8	Very high	96.7	Very high	14 Å²	14	35 Å²	35	5%	0.053	18%	0.184	C	C	.	.	H	α-helix	trans	-67.4	-39.6	176.2	-74.4	172.1	-179.7	-157.9	-0.1	112	W887 F925 T928 G934 E935 M936 A941 L942	W887-R938 VanDerWaalsContact CZ2-NH2 3.28Å; F925-R938 HydrophobicContact CD1-CG 4.02Å; F925-R938 HydrophobicContact CD2-CB 4.14Å; F925-R938 HydrophobicContact CD2-CG 4.23Å; F925-R938 HydrophobicContact CE1-CG 3.79Å; F925-R938 HydrophobicContact CE2-CB 3.96Å; F925-R938 HydrophobicContact CE2-CG 4Å; F925-R938 HydrophobicContact CG-CG 4.26Å; F925-R938 HydrophobicContact CZ-CB 4.24Å; F925-R938 HydrophobicContact CZ-CG 3.79Å; T928-R938 PolarHBondContact O-NH1 3.38Å; T928-R938 PolarHBondContact O-NH2 3.01Å; T928-R938 PolarHBondContact OG1-NH2 3.24Å; G934-R938 WeakPolarHBondContact O-CB 3.41Å; G934-R938 WeakPolarHBondContact O-CD 3.44Å; G934-R938 WeakPolarHBondContact O-CG 3.3Å; G934-R938 PolarHBondContact O-N 2.95Å; E935-R938 PolarHBondContact O-N 3.41Å; M936-R938 VanDerWaalsContact C-N 3.26Å; M936-R938 PolarHBondContact O-N 3.4Å; R938-A941 PolarHBondContact O-N 3.19Å; R938-L942 WeakPolarHBondContact O-CG 3.24Å; R938-L942 PolarHBondContact O-N 2.93Å
939	Q	97.1	Very high	96.8	Very high	97 Å²	97	34.5 Å²	34.5	45%	0.453	18%	0.18	S	C	.	.	H	α-helix	trans	-62.3	-48.2	175	-65.3	178.1	13.7	0	0	110.8	E935 M936 A941 L942 E943	E935-Q939 WeakPolarHBondContact O-CG 3.27Å; E935-Q939 PolarHBondContact O-N 3.02Å; M936-Q939 WeakPolarHBondContact O-CB 3.27Å; M936-Q939 PolarHBondContact O-N 3.48Å; Q939-A941 VanDerWaalsContact C-N 3.32Å; Q939-A941 PolarHBondContact O-N 2.82Å; Q939-L942 PolarHBondContact O-N 3.4Å; Q939-E943 WeakPolarHBondContact O-CB 3.48Å; Q939-E943 PolarHBondContact O-N 2.83Å
940	Q	97	Very high	96.8	Very high	28 Å²	28	31.9 Å²	31.9	13%	0.131	16%	0.159	C	C	.	.	H	α-helix	trans	-59.8	-39.9	175.3	-69.7	169.1	-15.5	0	0	112.5	L461 S463 N906 M936 E943 T944	L461-Q940 HydrophobicContact CD1-CB 4.42Å; L461-Q940 HydrophobicContact CD1-CG 4.42Å; S463-Q940 VanDerWaalsContact OG-CA 3.32Å; S463-Q940 WeakPolarHBondContact OG-CA 3.48Å; S463-Q940 VanDerWaalsContact OG-CG 3.29Å; S463-Q940 WeakPolarHBondContact OG-CG 3.46Å; N906-Q940 VanDerWaalsContact ND2-CB 3.3Å; N906-Q940 WeakPolarHBondContact ND2-CB 3.47Å; M936-Q940 HydrophobicContact CG-CG 4.48Å; M936-Q940 PolarHBondContact O-N 2.88Å; Q940-E943 PolarHBondContact O-N 2.93Å; Q940-T944 VanDerWaalsContact O-CB 3.27Å; Q940-T944 WeakPolarHBondContact O-CB 3.49Å; Q940-T944 PolarHBondContact O-N 2.86Å; Q940-T944 PolarHBondContact O-OG1 3.3Å
941	A	97.5	Very high	96.9	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.008	13%	0.133	C	C	.	.	H	α-helix	trans	-63.3	-47.4	177.2	0	0	0	0	0	111.4	N906 M921 P937 R938 Q939 T944 V945	N906-A941 HydrophobicContact CB-CB 4.07Å; M921-A941 HydrophobicContact CE-CB 3.68Å; P937-A941 VanDerWaalsContact O-CB 3.3Å; P937-A941 WeakPolarHBondContact O-CB 3.3Å; P937-A941 PolarHBondContact O-N 3.34Å; R938-A941 PolarHBondContact O-N 3.19Å; Q939-A941 VanDerWaalsContact C-N 3.32Å; Q939-A941 PolarHBondContact O-N 2.82Å; A941-T944 PolarHBondContact O-N 3.17Å; A941-V945 WeakPolarHBondContact O-CG2 3.16Å; A941-V945 PolarHBondContact O-N 3.19Å
942	L	98.2	Very high	97	Very high	26 Å²	26	28 Å²	28	14%	0.136	14%	0.136	C	C	.	.	H	α-helix	trans	-64	-42.6	177.9	-69.1	176.7	0	0	0	112	L918 M921 E922 F925 R938 Q939 V945 R946	L918-L942 HydrophobicContact CD1-CD2 3.77Å; M921-L942 HydrophobicContact CB-CD2 3.89Å; M921-L942 HydrophobicContact CE-CD2 4.3Å; E922-L942 HydrophobicContact CG-CD1 4.43Å; E922-L942 HydrophobicContact CG-CD2 3.67Å; F925-L942 HydrophobicContact CD2-CD1 4.07Å; F925-L942 HydrophobicContact CD2-CD2 4.06Å; F925-L942 HydrophobicContact CD2-CG 4.06Å; F925-L942 HydrophobicContact CE2-CD1 4.43Å; F925-L942 HydrophobicContact CE2-CD2 3.95Å; F925-L942 HydrophobicContact CE2-CG 3.93Å; R938-L942 WeakPolarHBondContact O-CG 3.24Å; R938-L942 PolarHBondContact O-N 2.93Å; Q939-L942 PolarHBondContact O-N 3.4Å; L942-V945 PolarHBondContact O-N 3.25Å; L942-R946 VanDerWaalsContact O-CG 3.28Å; L942-R946 WeakPolarHBondContact O-CG 3.34Å; L942-R946 PolarHBondContact O-N 3.47Å
943	E	97.7	Very high	96.9	Very high	10 Å²	10	33 Å²	33	5%	0.047	16%	0.155	C	C	.	.	H	α-helix	trans	-62.5	-48.3	176.1	-173.8	-179.4	169.6	0	0	111.4	L461 I462 S463 Q939 Q940 V945 R946 N947	L461-E943 WeakPolarHBondContact CA-OE1 3.47Å; L461-E943 HydrophobicContact CD2-CG 4.31Å; I462-E943 WeakPolarHBondContact CG2-OE2 3.18Å; I462-E943 PolarHBondContact N-OE1 3.01Å; I462-E943 PolarHBondContact N-OE2 3.09Å; S463-E943 WeakPolarHBondContact CB-OE2 3.21Å; S463-E943 PolarHBondContact N-OE2 2.93Å; S463-E943 PolarHBondContact OG-OE2 3.08Å; Q939-E943 WeakPolarHBondContact O-CB 3.48Å; Q939-E943 PolarHBondContact O-N 2.83Å; Q940-E943 PolarHBondContact O-N 2.93Å; E943-V945 VanDerWaalsContact C-N 3.3Å; E943-V945 PolarHBondContact O-N 3.38Å; E943-R946 WeakPolarHBondContact O-CB 3.28Å; E943-R946 PolarHBondContact O-N 3.28Å; E943-R946 VanDerWaalsContact O-N 3.11Å; E943-N947 PolarHBondContact O-N 3.43Å; E943-N947 PolarHBondContact O-OD1 3.43Å
944	T	97.4	Very high	96.8	Very high	24 Å²	24	36.7 Å²	36.7	15%	0.147	17%	0.17	C	C	.	.	H	α-helix	trans	-55.8	-45.2	178.1	-63.1	0	0	0	0	111.5	Q940 A941 N947 N948	Q940-T944 VanDerWaalsContact O-CB 3.27Å; Q940-T944 WeakPolarHBondContact O-CB 3.49Å; Q940-T944 PolarHBondContact O-N 2.86Å; Q940-T944 PolarHBondContact O-OG1 3.3Å; A941-T944 PolarHBondContact O-N 3.17Å; T944-N947 PolarHBondContact O-N 3.35Å; T944-N948 WeakPolarHBondContact O-CB 3.47Å; T944-N948 PolarHBondContact O-N 3Å; T944-N948 PolarHBondContact O-ND2 2.98Å; T944-N948 PolarHBondContact O-OD1 2.69Å
945	V	97.9	Very high	96.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-69.3	-35.3	179.7	175.5	0	0	0	0	112	L918 M921 A941 L942 E943 N948 I949	L918-V945 HydrophobicContact CB-CG1 3.96Å; L918-V945 HydrophobicContact CD1-CB 4.37Å; L918-V945 HydrophobicContact CD1-CG1 4.19Å; M921-V945 HydrophobicContact CE-CG2 4.01Å; M921-V945 HydrophobicContact SD-CB 4.36Å; M921-V945 HydrophobicContact SD-CG1 4.44Å; M921-V945 HydrophobicContact SD-CG2 3.76Å; A941-V945 WeakPolarHBondContact O-CG2 3.16Å; A941-V945 PolarHBondContact O-N 3.19Å; L942-V945 PolarHBondContact O-N 3.25Å; E943-V945 VanDerWaalsContact C-N 3.3Å; E943-V945 PolarHBondContact O-N 3.38Å; V945-N948 PolarHBondContact O-N 3.28Å; V945-I949 HydrophobicContact CG1-CD1 4.2Å; V945-I949 WeakPolarHBondContact O-CD1 3.33Å; V945-I949 VanDerWaalsContact O-CG1 3.28Å; V945-I949 WeakPolarHBondContact O-CG1 3.47Å; V945-I949 PolarHBondContact O-N 2.79Å
946	R	97.6	Very high	96.6	Very high	102 Å²	102	34.1 Å²	34.1	39%	0.385	16%	0.158	S	C	.	.	H	α-helix	trans	-62.6	-47.6	171.6	-72.7	170.8	-168.8	138.5	3.6	110.9	L918 E922 L942 E943 N948 I949 E950	L918-R946 HydrophobicContact CD1-CG 4.07Å; L918-R946 HydrophobicContact CD2-CG 3.6Å; E922-R946 IonicContact OE1-CZ 2.61Å; E922-R946 IonicContact OE1-NE 3.84Å; E922-R946 IonicContact OE1-NH2 3.37Å; E922-R946 PolarHBondContact OE1-NH2 2.94Å; L942-R946 VanDerWaalsContact O-CG 3.28Å; L942-R946 WeakPolarHBondContact O-CG 3.34Å; L942-R946 PolarHBondContact O-N 3.47Å; E943-R946 WeakPolarHBondContact O-CB 3.28Å; E943-R946 PolarHBondContact O-N 3.28Å; E943-R946 VanDerWaalsContact O-N 3.11Å; R946-N948 VanDerWaalsContact C-N 3.27Å; R946-N948 PolarHBondContact O-N 2.8Å; R946-I949 WeakPolarHBondContact O-CB 3.3Å; R946-I949 PolarHBondContact O-N 3.11Å; R946-I949 VanDerWaalsContact O-N 3.12Å; R946-E950 PolarHBondContact O-N 3.01Å
947	N	96.9	Very high	96.6	Very high	9 Å²	9	38.9 Å²	38.9	5%	0.048	18%	0.183	C	C	.	.	H	α-helix	trans	-59.1	-40.5	177.4	-64.5	-3.1	0	0	0	111	E943 T944 E950 W951	E943-N947 PolarHBondContact O-N 3.43Å; E943-N947 PolarHBondContact O-OD1 3.43Å; T944-N947 PolarHBondContact O-N 3.35Å; N947-E950 PolarHBondContact O-N 3.35Å; N947-W951 WeakPolarHBondContact O-CB 3.34Å; N947-W951 PolarHBondContact O-N 3.06Å
948	N	97.4	Very high	96.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.3	-42.3	176	-70.4	-11.2	0	0	0	113	Y712 M716 T910 Y912 N913 T944 V945 R946 W951 I952	Y712-N948 WeakPolarHBondContact CE2-OD1 3.47Å; Y712-N948 PolarHBondContact OH-OD1 2.57Å; M716-N948 HydrophobicContact CE-CB 4.31Å; M716-N948 HydrophobicContact SD-CB 3.61Å; M716-N948 VanDerWaalsContact SD-CG 3.59Å; T910-N948 PolarHBondContact O-ND2 2.66Å; Y912-N948 WeakPolarHBondContact O-CB 3.39Å; Y912-N948 PolarHBondContact O-ND2 2.63Å; N913-N948 HydrophobicContact CB-CB 3.84Å; T944-N948 WeakPolarHBondContact O-CB 3.47Å; T944-N948 PolarHBondContact O-N 3Å; T944-N948 PolarHBondContact O-ND2 2.98Å; T944-N948 PolarHBondContact O-OD1 2.69Å; V945-N948 PolarHBondContact O-N 3.28Å; R946-N948 VanDerWaalsContact C-N 3.27Å; R946-N948 PolarHBondContact O-N 2.8Å; N948-W951 PolarHBondContact O-N 3.01Å; N948-I952 WeakPolarHBondContact O-CG1 3.45Å; N948-I952 PolarHBondContact O-N 3.05Å; N948-I952 VanDerWaalsContact O-N 3.11Å
949	I	97.1	Very high	96.5	Very high	14 Å²	14	40.2 Å²	40.2	7%	0.072	19%	0.19	C	C	.	.	H	α-helix	trans	-61.7	-48.3	176.5	-68.1	159.7	0	0	0	110	N913 K915 L918 V945 R946 W951 I952 E953	N913-I949 VanDerWaalsContact C-CG1 3.45Å; N913-I949 WeakPolarHBondContact O-CG1 3.42Å; K915-I949 HydrophobicContact CG-CD1 4.26Å; K915-I949 HydrophobicContact CG-CG2 4.2Å; L918-I949 HydrophobicContact CB-CD1 4Å; L918-I949 HydrophobicContact CD2-CD1 3.94Å; V945-I949 HydrophobicContact CG1-CD1 4.2Å; V945-I949 WeakPolarHBondContact O-CD1 3.33Å; V945-I949 VanDerWaalsContact O-CG1 3.28Å; V945-I949 WeakPolarHBondContact O-CG1 3.47Å; V945-I949 PolarHBondContact O-N 2.79Å; R946-I949 WeakPolarHBondContact O-CB 3.3Å; R946-I949 PolarHBondContact O-N 3.11Å; R946-I949 VanDerWaalsContact O-N 3.12Å; I949-W951 VanDerWaalsContact C-N 3.35Å; I949-I952 PolarHBondContact O-N 3.25Å; I949-E953 WeakPolarHBondContact O-CG 3.29Å; I949-E953 PolarHBondContact O-N 3.44Å; I949-E953 VanDerWaalsContact O-N 3.13Å
950	E	96	Very high	96.5	Very high	51 Å²	51	39.7 Å²	39.7	24%	0.238	19%	0.186	C	C	.	.	H	α-helix	trans	-65.8	-39.1	179.4	-67.4	-160.4	179.6	0	0	112.4	L575 R946 N947 I952 E953 K954	L575-E950 VanDerWaalsContact CD1-OE1 3.26Å; L575-E950 WeakPolarHBondContact CD1-OE1 3.43Å; L575-E950 VanDerWaalsContact CD1-OE2 3.29Å; L575-E950 WeakPolarHBondContact CD1-OE2 3.39Å; R946-E950 PolarHBondContact O-N 3.01Å; N947-E950 PolarHBondContact O-N 3.35Å; E950-I952 VanDerWaalsContact C-N 3.31Å; E950-I952 PolarHBondContact O-N 2.97Å; E950-E953 PolarHBondContact O-N 3.1Å; E950-K954 WeakPolarHBondContact O-CG 3.49Å; E950-K954 PolarHBondContact O-N 3.13Å
951	W	96.7	Very high	96.4	Very high	7 Å²	7	41 Å²	41	3%	0.027	20%	0.201	C	C	.	.	H	α-helix	trans	-58.9	-43.7	177.2	-176.6	92.7	0	0	0	111.5	Y684 Y712 V713 M716 L717 N947 N948 I949 K954 N955 I959	Y684-W951 HydrophobicContact CE1-CZ2 4.15Å; Y684-W951 AromaticContact CE2-CE2 3.72Å; Y684-W951 AromaticContact CE2-CZ2 3.68Å; Y684-W951 HydrophobicContact CE2-CZ2 3.68Å; Y684-W951 AromaticContact CE2-NE1 3.29Å; Y684-W951 VanDerWaalsContact CE2-NE1 3.29Å; Y684-W951 AromaticContact CZ-CE2 3.73Å; Y684-W951 AromaticContact CZ-CZ2 3.47Å; Y684-W951 VanDerWaalsContact CZ-CZ2 3.47Å; Y684-W951 AromaticContact CZ-NE1 3.39Å; Y684-W951 WeakPolarHBondContact OH-CZ2 3.49Å; Y684-W951 PolarHBondContact OH-NE1 2.9Å; Y712-W951 AromaticContact CE1-CD1 3.98Å; Y712-W951 AromaticContact CE1-CD2 3.97Å; Y712-W951 HydrophobicContact CE1-CD2 3.97Å; Y712-W951 AromaticContact CE1-CE2 3.86Å; Y712-W951 HydrophobicContact CE1-CG 4.07Å; Y712-W951 HydrophobicContact CE1-CZ2 4.42Å; Y712-W951 AromaticContact CE1-NE1 3.83Å; V713-W951 HydrophobicContact CG1-CH2 4.11Å; V713-W951 HydrophobicContact CG1-CZ2 4.42Å; V713-W951 HydrophobicContact CG2-CZ2 4.29Å; M716-W951 HydrophobicContact CB-CE3 3.71Å; M716-W951 HydrophobicContact CB-CH2 4.08Å; M716-W951 HydrophobicContact CB-CZ3 3.34Å; M716-W951 HydrophobicContact CG-CD2 4.46Å; M716-W951 HydrophobicContact CG-CE3 3.82Å; M716-W951 HydrophobicContact CG-CZ3 3.94Å; L717-W951 HydrophobicContact CD2-CH2 4.23Å; L717-W951 HydrophobicContact CD2-CZ3 4.16Å; L717-W951 HydrophobicContact CG-CH2 4.48Å; N947-W951 WeakPolarHBondContact O-CB 3.34Å; N947-W951 PolarHBondContact O-N 3.06Å; N948-W951 PolarHBondContact O-N 3.01Å; I949-W951 VanDerWaalsContact C-N 3.35Å; W951-K954 PolarHBondContact O-N 3.23Å; W951-N955 HydrophobicContact CD2-CB 4.29Å; W951-N955 HydrophobicContact CZ2-CB 4.18Å; W951-N955 PolarHBondContact NE1-ND2 3.21Å; W951-N955 VanDerWaalsContact O-CB 3.29Å; W951-N955 WeakPolarHBondContact O-CB 3.42Å; W951-N955 PolarHBondContact O-N 3.45Å; W951-N955 PolarHBondContact O-ND2 3.3Å; W951-I959 HydrophobicContact CH2-CD1 3.42Å; W951-I959 VanDerWaalsContact CH2-CD1 3.42Å; W951-I959 HydrophobicContact CZ2-CD1 3.52Å; W951-I959 HydrophobicContact CZ3-CD1 4.5Å
952	I	95.8	Very high	96.4	Very high	32 Å²	32	42.1 Å²	42.1	16%	0.164	21%	0.205	C	C	.	.	H	α-helix	trans	-61.1	-49.9	174.6	-70.4	-72.5	0	0	0	110.5	M716 N913 N948 I949 E950 K954 E956	M716-I952 HydrophobicContact CB-CD1 3.95Å; M716-I952 WeakPolarHBondContact O-CD1 3.23Å; N913-I952 HydrophobicContact CB-CG1 4.36Å; N948-I952 WeakPolarHBondContact O-CG1 3.45Å; N948-I952 PolarHBondContact O-N 3.05Å; N948-I952 VanDerWaalsContact O-N 3.11Å; I949-I952 PolarHBondContact O-N 3.25Å; E950-I952 VanDerWaalsContact C-N 3.31Å; E950-I952 PolarHBondContact O-N 2.97Å; I952-K954 PolarHBondContact O-N 3.41Å; I952-E956 VanDerWaalsContact O-CB 3.28Å; I952-E956 WeakPolarHBondContact O-CB 3.04Å; I952-E956 PolarHBondContact O-N 2.92Å
953	E	93.9	Very high	96.4	Very high	120 Å²	120	40.9 Å²	40.9	56%	0.561	20%	0.199	S	C	*	.	H	α-helix	trans	-59.2	-32.6	-177.4	-72.5	-177.2	177	0	0	112.6	K915 I949 E950	K915-E953 WeakPolarHBondContact CE-OE1 3.41Å; K915-E953 IonicContact NZ-OE1 2.66Å; K915-E953 PolarHBondContact NZ-OE1 2.88Å; I949-E953 WeakPolarHBondContact O-CG 3.29Å; I949-E953 PolarHBondContact O-N 3.44Å; I949-E953 VanDerWaalsContact O-N 3.13Å; E950-E953 PolarHBondContact O-N 3.1Å
954	K	93.8	Very high	96.3	Very high	79 Å²	79	43.7 Å²	43.7	34%	0.343	21%	0.214	S	C	.	.	H	α-helix	trans	-91	-45	-178.3	-69.6	-176.7	169.8	-165.3	0	114.4	D680 E950 W951 I952	D680-K954 HydrophobicContact CB-CD 4.48Å; D680-K954 WeakPolarHBondContact OD2-CD 3.17Å; D680-K954 IonicContact OD2-NZ 2.82Å; D680-K954 PolarHBondContact OD2-NZ 3.28Å; E950-K954 WeakPolarHBondContact O-CG 3.49Å; E950-K954 PolarHBondContact O-N 3.13Å; W951-K954 PolarHBondContact O-N 3.23Å; I952-K954 PolarHBondContact O-N 3.41Å
955	N	95.3	Very high	96.3	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-102	-21.2	-162	-60.6	-72.7	0	0	0	114.2	Y684 W951 L957 E958 I959	Y684-N955 HydrophobicContact CD2-CB 3.89Å; Y684-N955 HydrophobicContact CE2-CB 3.93Å; W951-N955 HydrophobicContact CD2-CB 4.29Å; W951-N955 HydrophobicContact CZ2-CB 4.18Å; W951-N955 PolarHBondContact NE1-ND2 3.21Å; W951-N955 VanDerWaalsContact O-CB 3.29Å; W951-N955 WeakPolarHBondContact O-CB 3.42Å; W951-N955 PolarHBondContact O-N 3.45Å; W951-N955 PolarHBondContact O-ND2 3.3Å; N955-L957 VanDerWaalsContact C-N 3.32Å; N955-L957 PolarHBondContact O-N 3.28Å; N955-E958 PolarHBondContact O-N 2.95Å; N955-I959 HydrophobicContact CB-CD1 4.15Å; N955-I959 WeakPolarHBondContact O-CB 3.4Å; N955-I959 WeakPolarHBondContact O-CG1 3.26Å; N955-I959 PolarHBondContact O-N 3.39Å
956	E	94.9	Very high	96.2	Very high	52 Å²	52	50.8 Å²	50.8	24%	0.243	26%	0.259	C	S	.	.	H	α-helix	trans	-59.1	-42.3	-173	-173.4	-177.1	175.9	0	0	112.4	L717 N720 L723 I952 K960	L717-E956 HydrophobicContact CD2-CG 4.4Å; N720-E956 PolarHBondContact ND2-OE1 2.91Å; L723-E956 HydrophobicContact CD2-CG 3.74Å; I952-E956 VanDerWaalsContact O-CB 3.28Å; I952-E956 WeakPolarHBondContact O-CB 3.04Å; I952-E956 PolarHBondContact O-N 2.92Å; E956-K960 VanDerWaalsContact O-CB 3.24Å; E956-K960 WeakPolarHBondContact O-CB 3.43Å; E956-K960 PolarHBondContact O-N 2.93Å
957	L	95.1	Very high	96	Very high	137 Å²	137	46.4 Å²	46.4	72%	0.717	24%	0.244	S	C	*	.	H	α-helix	trans	-68.9	-38.1	179.8	-69.2	178.3	0	0	0	112.7	N955 K960 A961	N955-L957 VanDerWaalsContact C-N 3.32Å; N955-L957 PolarHBondContact O-N 3.28Å; L957-K960 PolarHBondContact O-N 3.38Å; L957-A961 WeakPolarHBondContact O-CB 3.31Å; L957-A961 PolarHBondContact O-N 3.36Å
958	E	95.6	Very high	95.1	Very high	51 Å²	51	53.5 Å²	53.5	24%	0.238	29%	0.293	C	S	.	.	H	α-helix	trans	-65.5	-49.1	177.1	-167.2	-148.2	143.1	0	0	110.5	N683 Y684 G685 N955 K960 A961 W962	N683-E958 WeakPolarHBondContact CA-OE1 3.48Å; N683-E958 VanDerWaalsContact CB-OE1 3.31Å; N683-E958 WeakPolarHBondContact CB-OE1 3.28Å; Y684-E958 WeakPolarHBondContact CA-OE1 3.47Å; Y684-E958 PolarHBondContact N-OE1 3.29Å; Y684-E958 PolarHBondContact N-OE2 3.44Å; G685-E958 PolarHBondContact N-OE1 2.96Å; N955-E958 PolarHBondContact O-N 2.95Å; E958-K960 VanDerWaalsContact C-N 3.3Å; E958-K960 PolarHBondContact O-N 3.03Å; E958-A961 PolarHBondContact O-N 3.42Å; E958-A961 VanDerWaalsContact O-N 3.16Å; E958-W962 PolarHBondContact O-N 3.45Å
959	I	97	Very high	95	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-58.3	-44.5	176.2	-71.6	169.1	0	0	0	110.5	Y684 F688 V713 L717 L723 W951 N955 A961 W962 L963	Y684-I959 HydrophobicContact CD1-CD1 4.01Å; Y684-I959 HydrophobicContact CD1-CG1 4.15Å; Y684-I959 HydrophobicContact CD2-CD1 3.98Å; Y684-I959 HydrophobicContact CD2-CG1 4.17Å; Y684-I959 HydrophobicContact CE1-CD1 4.34Å; Y684-I959 HydrophobicContact CE2-CD1 4.3Å; Y684-I959 HydrophobicContact CG-CD1 3.84Å; Y684-I959 HydrophobicContact CG-CG1 3.73Å; F688-I959 HydrophobicContact CE2-CB 4.23Å; F688-I959 HydrophobicContact CE2-CG1 3.91Å; F688-I959 HydrophobicContact CE2-CG2 3.81Å; F688-I959 HydrophobicContact CZ-CD1 4.49Å; F688-I959 HydrophobicContact CZ-CG1 4.17Å; F688-I959 HydrophobicContact CZ-CG2 4.11Å; V713-I959 HydrophobicContact CG1-CD1 4.39Å; L717-I959 HydrophobicContact CD1-CG2 3.96Å; L723-I959 HydrophobicContact CD1-CG2 4.33Å; L723-I959 HydrophobicContact CD2-CG2 4.43Å; W951-I959 HydrophobicContact CH2-CD1 3.42Å; W951-I959 VanDerWaalsContact CH2-CD1 3.42Å; W951-I959 HydrophobicContact CZ2-CD1 3.52Å; W951-I959 HydrophobicContact CZ3-CD1 4.5Å; N955-I959 HydrophobicContact CB-CD1 4.15Å; N955-I959 WeakPolarHBondContact O-CB 3.4Å; N955-I959 WeakPolarHBondContact O-CG1 3.26Å; N955-I959 PolarHBondContact O-N 3.39Å; I959-A961 PolarHBondContact O-N 2.97Å; I959-W962 PolarHBondContact O-N 3.46Å; I959-L963 HydrophobicContact CG2-CD1 3.68Å; I959-L963 HydrophobicContact CG2-CG 4.34Å; I959-L963 WeakPolarHBondContact O-CB 3.44Å; I959-L963 WeakPolarHBondContact O-CG 3.37Å; I959-L963 PolarHBondContact O-N 2.9Å
960	K	96.6	Very high	94.9	Very high	87 Å²	87	58.4 Å²	58.4	38%	0.378	32%	0.321	S	S	.	.	H	α-helix	trans	-58.5	-48.1	175.4	-177.7	-177	-179.3	-58.8	0	111.8	L723 E956 L957 E958 W962 L963 D964	L723-K960 HydrophobicContact CD1-CB 3.86Å; L723-K960 HydrophobicContact CD1-CG 4.17Å; L723-K960 HydrophobicContact CD2-CB 4.29Å; E956-K960 VanDerWaalsContact O-CB 3.24Å; E956-K960 WeakPolarHBondContact O-CB 3.43Å; E956-K960 PolarHBondContact O-N 2.93Å; L957-K960 PolarHBondContact O-N 3.38Å; E958-K960 VanDerWaalsContact C-N 3.3Å; E958-K960 PolarHBondContact O-N 3.03Å; K960-W962 VanDerWaalsContact C-N 3.3Å; K960-W962 PolarHBondContact O-N 3.49Å; K960-L963 PolarHBondContact O-N 3.36Å; K960-D964 IonicContact NZ-OD2 3.24Å; K960-D964 PolarHBondContact NZ-OD2 3.14Å; K960-D964 VanDerWaalsContact O-CB 3.32Å; K960-D964 WeakPolarHBondContact O-CB 3.39Å; K960-D964 PolarHBondContact O-N 3.18Å
961	A	96.9	Very high	94.8	Very high	54 Å²	54	58.8 Å²	58.8	45%	0.446	33%	0.325	S	S	.	.	H	α-helix	trans	-61.5	-40.5	179.9	0	0	0	0	0	112	L957 E958 I959 S965	L957-A961 WeakPolarHBondContact O-CB 3.31Å; L957-A961 PolarHBondContact O-N 3.36Å; E958-A961 PolarHBondContact O-N 3.42Å; E958-A961 VanDerWaalsContact O-N 3.16Å; I959-A961 PolarHBondContact O-N 2.97Å; A961-S965 WeakPolarHBondContact O-CB 3.4Å; A961-S965 PolarHBondContact O-N 3.34Å; A961-S965 PolarHBondContact O-OG 2.96Å
962	W	97.5	Very high	94.7	Very high	26 Å²	26	61.8 Å²	61.8	10%	0.098	34%	0.343	C	S	.	.	H	α-helix	trans	-66	-48.2	176.6	-168.7	99.7	0	0	0	111.8	G685 F688 N689 L730 E958 I959 K960 S965 N966 V967	G685-W962 VanDerWaalsContact CA-CD1 3.4Å; G685-W962 PolarHBondContact O-NE1 3.15Å; F688-W962 HydrophobicContact CB-CD2 3.91Å; F688-W962 HydrophobicContact CB-CE3 3.95Å; F688-W962 HydrophobicContact CB-CH2 3.55Å; F688-W962 HydrophobicContact CB-CZ2 3.44Å; F688-W962 VanDerWaalsContact CB-CZ2 3.44Å; F688-W962 HydrophobicContact CB-CZ3 3.81Å; F688-W962 AromaticContact CD2-CD2 3.8Å; F688-W962 HydrophobicContact CD2-CD2 3.8Å; F688-W962 AromaticContact CD2-CE3 3.63Å; F688-W962 HydrophobicContact CD2-CE3 3.63Å; F688-W962 HydrophobicContact CD2-CG 4.22Å; F688-W962 HydrophobicContact CD2-CZ3 4.13Å; F688-W962 HydrophobicContact CG-CD2 4.36Å; F688-W962 HydrophobicContact CG-CE3 4.18Å; F688-W962 HydrophobicContact CG-CH2 4.47Å; F688-W962 HydrophobicContact CG-CZ3 4.26Å; N689-W962 WeakPolarHBondContact OD1-CZ2 3.3Å; N689-W962 PolarHBondContact OD1-NE1 2.96Å; L730-W962 HydrophobicContact CD2-CH2 4.23Å; L730-W962 HydrophobicContact CD2-CZ3 3.79Å; E958-W962 PolarHBondContact O-N 3.45Å; I959-W962 PolarHBondContact O-N 3.46Å; K960-W962 VanDerWaalsContact C-N 3.3Å; K960-W962 PolarHBondContact O-N 3.49Å; W962-S965 PolarHBondContact O-N 2.98Å; W962-S965 VanDerWaalsContact O-N 3.16Å; W962-N966 HydrophobicContact CD2-CB 4.27Å; W962-N966 HydrophobicContact CE3-CB 3.99Å; W962-N966 HydrophobicContact CH2-CB 3.84Å; W962-N966 HydrophobicContact CZ2-CB 4.15Å; W962-N966 HydrophobicContact CZ3-CB 3.75Å; W962-N966 WeakPolarHBondContact O-CB 3.43Å; W962-N966 PolarHBondContact O-N 3.43Å; W962-N966 PolarHBondContact O-ND2 3.05Å; W962-V967 HydrophobicContact CZ3-CG2 4.45Å
963	L	97.1	Very high	94.6	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-64.3	-41.1	179.7	-72.7	172	0	0	0	111.7	L723 K726 F727 L730 I959 K960 S965 N966 V967	L723-L963 HydrophobicContact CD1-CB 4.4Å; L723-L963 HydrophobicContact CD1-CD1 3.51Å; L723-L963 HydrophobicContact CG-CD1 4.34Å; K726-L963 HydrophobicContact CB-CB 4.28Å; K726-L963 HydrophobicContact CB-CD1 4.45Å; K726-L963 HydrophobicContact CD-CB 4.48Å; F727-L963 HydrophobicContact CB-CD1 4.22Å; L730-L963 HydrophobicContact CD2-CD2 4.01Å; I959-L963 HydrophobicContact CG2-CD1 3.68Å; I959-L963 HydrophobicContact CG2-CG 4.34Å; I959-L963 WeakPolarHBondContact O-CB 3.44Å; I959-L963 WeakPolarHBondContact O-CG 3.37Å; I959-L963 PolarHBondContact O-N 2.9Å; K960-L963 PolarHBondContact O-N 3.36Å; L963-S965 PolarHBondContact O-N 3.07Å; L963-N966 PolarHBondContact O-N 3.46Å; L963-V967 HydrophobicContact CD2-CG2 3.69Å; L963-V967 WeakPolarHBondContact O-CA 3.5Å; L963-V967 VanDerWaalsContact O-CB 3.31Å; L963-V967 WeakPolarHBondContact O-CB 3.34Å; L963-V967 PolarHBondContact O-N 3.19Å
964	D	95.8	Very high	94.7	Very high	69 Å²	69	59.9 Å²	59.9	37%	0.369	34%	0.34	S	S	.	.	H	α-helix	trans	-59.3	-32.4	174.9	-74	-14.9	0	0	0	112.6	K726 K960	K726-D964 IonicContact NZ-OD1 2.69Å; K726-D964 PolarHBondContact NZ-OD1 3.43Å; K960-D964 IonicContact NZ-OD2 3.24Å; K960-D964 PolarHBondContact NZ-OD2 3.14Å; K960-D964 VanDerWaalsContact O-CB 3.32Å; K960-D964 WeakPolarHBondContact O-CB 3.39Å; K960-D964 PolarHBondContact O-N 3.18Å
965	S	96.3	Very high	94.7	Very high	99 Å²	99	58.6 Å²	58.6	69%	0.692	34%	0.34	S	S	*	.	H	α-helix	trans	-88.3	-26.4	-176.8	-55.9	0	0	0	0	113.6	A961 W962 L963	A961-S965 WeakPolarHBondContact O-CB 3.4Å; A961-S965 PolarHBondContact O-N 3.34Å; A961-S965 PolarHBondContact O-OG 2.96Å; W962-S965 PolarHBondContact O-N 2.98Å; W962-S965 VanDerWaalsContact O-N 3.16Å; L963-S965 PolarHBondContact O-N 3.07Å
966	N	96.1	Very high	94.7	Very high	74 Å²	74	62.8 Å²	62.8	40%	0.396	36%	0.364	S	S	.	.	H	α-helix	trans	-114.9	-14.2	-171.3	-67.8	-96.2	0	0	0	113.7	K692 W962 L963	K692-N966 PolarHBondContact NZ-OD1 3.49Å; W962-N966 HydrophobicContact CD2-CB 4.27Å; W962-N966 HydrophobicContact CE3-CB 3.99Å; W962-N966 HydrophobicContact CH2-CB 3.84Å; W962-N966 HydrophobicContact CZ2-CB 4.15Å; W962-N966 HydrophobicContact CZ3-CB 3.75Å; W962-N966 WeakPolarHBondContact O-CB 3.43Å; W962-N966 PolarHBondContact O-N 3.43Å; W962-N966 PolarHBondContact O-ND2 3.05Å; L963-N966 PolarHBondContact O-N 3.46Å
967	V	93.9	Very high	94.7	Very high	10 Å²	10	63.7 Å²	63.7	6%	0.061	38%	0.375	C	S	.	.			trans	-122.9	97.3	-177.7	-172.1	0	0	0	0	108.7	K726 K729 L730 W962 L963	K726-V967 HydrophobicContact CB-CG1 4.42Å; K729-V967 HydrophobicContact CB-CG1 4.06Å; K729-V967 HydrophobicContact CD-CG1 3.88Å; K729-V967 HydrophobicContact CG-CG1 3.97Å; L730-V967 HydrophobicContact CB-CG2 4.02Å; L730-V967 HydrophobicContact CD1-CG2 4.29Å; W962-V967 HydrophobicContact CZ3-CG2 4.45Å; L963-V967 HydrophobicContact CD2-CG2 3.69Å; L963-V967 WeakPolarHBondContact O-CA 3.5Å; L963-V967 VanDerWaalsContact O-CB 3.31Å; L963-V967 WeakPolarHBondContact O-CB 3.34Å; L963-V967 PolarHBondContact O-N 3.19Å
968	S	78	Confident	94.6	Very high	157 Å²	157	57 Å²	57	100%	1.098	34%	0.343	S	S	*	.			trans	-77.6	0	-179.1	62.3	0	0	0	0	112.9	K729	K729-S968 WeakPolarHBondContact CE-O 3.43Å; K729-S968 PolarHBondContact NZ-O 3.34Å

Retrieved 968 of 968 residues in 239.6 ms (Link to these results)

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