A0A077ZGK4_TRITR Loading...

Glycosylphosphatidylinositol anchor attachment 1 protein

AlphaFold DB , UniProt , Accession A0A077ZGK4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 890 aa.

						>A0A077ZGK4_TRITR|A0A077ZGK4
MEEEEPCCSSTVAAARLEHYEYETLHFGFSPKALMDNIYNITFEIAMAEVAAIEQELLSEALDEDRKAAVTDRLNLLRGKIEKELDRSIIPLQNLSLKKLFRIRSYVSLPEDEVQNSPFGPITHTEHLKACEKAKELEKMFSTQRFILNAHKEELELIRTLKDMTVANDRRLYSIIFANPDIHMRVTKLAVLIDDRPVRLFDLNNGNVAEGQCVALNGATHFRLELQLFAKREIASGLKFIHVLACESENCTGAGVGLVKVCSTIVHCNIGVCAQWRIRLIMTCSTKIGGSAKLKAWIIKNGNLLAVASYLCGILYYAVIVHPAMRSNTYISESALLVGLVDEEIRSPYLFFGDNPKLIEFSKQTNVRAASAVQWAFARLNELSLETGLQSYTIHSSLGKNISGTTAYGLLRTRRGSSTKCVIVSAPADSSSSVAFLLYLAKSFLSRPYWAKNIMFMVHEHSSLGMMAWLSTYHFGDHPFIHAEKIPFQAGRIEVALNIRTDFNSPPTHVNIEYNSLNGQLPNLDLINLAVRSMRKHGLTPTLFMQRQKRAKTELDDMVFRGRMFVLGLLSQAVSVPTDVHTVCGQFGIHALSLSTYSKSKRSSNNNGHHSFAKVLESMLRSVNNLQEILHQSFFFYVLPSVDSYISIGIYAPGIGLLLLVPLLQATKCWLTLTSNDGESQSALKAISFMPVLIWLCIPFSASAMLLPYFTYSFGSKWPGYSMSALWASHAAAFILPLMIHGSEWQRTCHYALLKFVLLLLLTLTVASISVLNFGLGLVFSCSFVPVVTLMRCSRSIYAFLSQLVLLVMVHPLILVCLMRNVQSSLSISSNFDIVSALDSFLFNLIANTKECISEMMYSNMLYFDWSYLITIICLTIWIAALGYILPSYG
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.4	Very low	45.6	Very low	130 Å²	130	106.7 Å²	106.7	64%	0.64	58%	0.58	S	S	*	*				0	-33	0	-80.8	-82.4	-65.2	0	0	111	E3	M1-E3 PolarHBondContact O-N 3.15Å
2	E	39.5	Very low	45.6	Very low	183 Å²	183	100.1 Å²	100.1	86%	0.855	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-67.3	-17.8	174.6	-70.5	176.6	163.8	0	0	114.3	E4	E2-E4 VanDerWaalsContact C-N 3.3Å; E2-E4 PolarHBondContact O-N 2.72Å
3	E	44.1	Very low	45.5	Very low	191 Å²	191	95.7 Å²	95.7	89%	0.893	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-73.5	-10.8	-175.9	-67.8	178.8	161.9	0	0	115.2	M1	M1-E3 PolarHBondContact O-N 3.15Å
4	E	46.7	Very low	45.4	Very low	74 Å²	74	92.8 Å²	92.8	35%	0.346	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-111.7	9.5	-177	-78.2	-172.7	170.4	0	0	115.4	E2 Y106	E2-E4 VanDerWaalsContact C-N 3.3Å; E2-E4 PolarHBondContact O-N 2.72Å; E4-Y106 WeakPolarHBondContact OE1-CE1 3.5Å
5	E	43.5	Very low	45.4	Very low	164 Å²	164	89.9 Å²	89.9	77%	0.766	52%	0.517	S	S	*	.	S	Bend	trans	-101	138.3	170.5	-75	-172.7	174.3	0	0	112.1
6	P	44.3	Very low	45.2	Very low	106 Å²	106	90.1 Å²	90.1	69%	0.688	51%	0.507	S	S	*	.	S	Bend	cis	-127.2	96.6	-32.4	34.1	-14.9	0	0	0	110.2
7	C	47.7	Very low	45.2	Very low	89 Å²	89	90.2 Å²	90.2	60%	0.601	51%	0.505	S	S	*	.	S	Bend	trans	-76.9	-10.5	162.6	-74.5	0	0	0	0	112.2	L128 K135	C7-L128 HydrophobicContact CB-CD2 4.27Å; C7-K135 VanDerWaalsContact O-CE 3.22Å; C7-K135 WeakPolarHBondContact O-CE 3.39Å; C7-K135 PolarHBondContact O-NZ 2.63Å
8	C	48.5	Very low	45.2	Very low	34 Å²	34	94.1 Å²	94.1	23%	0.23	52%	0.519	C	S	.	.	S	Bend	trans	-86.9	141.8	173	-69	0	0	0	0	111	V12 C131	C8-V12 HydrophobicContact CB-CB 4.43Å; C8-V12 HydrophobicContact CB-CG1 4.33Å; C8-C131 VanDerWaalsContact SG-SG 3.67Å
9	S	48.8	Very low	45.1	Very low	26 Å²	26	96.8 Å²	96.8	18%	0.182	53%	0.527	C	S	.	.			trans	-58.4	153.9	174.4	54.6	0	0	0	0	110.6	T11 V12 A13 E138	S9-T11 PolarHBondContact O-N 2.83Å; S9-T11 PolarHBondContact OG-OG1 3.06Å; S9-V12 PolarHBondContact O-N 3.45Å; S9-V12 VanDerWaalsContact O-N 3.16Å; S9-V12 WeakPolarHBondContact OG-CG2 3.04Å; S9-V12 PolarHBondContact OG-N 3.04Å; S9-A13 PolarHBondContact O-N 3.46Å; S9-E138 PolarHBondContact OG-OE2 3.18Å
10	S	48.9	Very low	45.1	Very low	102 Å²	102	95.2 Å²	95.2	71%	0.713	51%	0.513	S	S	*	.	H	α-helix	trans	-57.8	-28.4	175.4	52.8	0	0	0	0	112.6	A14	S10-A14 WeakPolarHBondContact O-CB 3.43Å; S10-A14 PolarHBondContact O-N 3.03Å
11	T	48.3	Very low	45.1	Very low	75 Å²	75	99.1 Å²	99.1	46%	0.46	53%	0.529	S	S	.	.	H	α-helix	trans	-69.5	-46.4	174.7	45.4	0	0	0	0	112.3	S9 A13 A14 A15 E138	S9-T11 PolarHBondContact O-N 2.83Å; S9-T11 PolarHBondContact OG-OG1 3.06Å; T11-A13 VanDerWaalsContact C-N 3.33Å; T11-A14 PolarHBondContact O-N 3.17Å; T11-A15 VanDerWaalsContact O-CB 3.24Å; T11-A15 WeakPolarHBondContact O-CB 3.36Å; T11-A15 PolarHBondContact O-N 3.28Å; T11-E138 PolarHBondContact OG1-OE2 2.97Å
12	V	45.1	Very low	45.6	Very low	27 Å²	27	95.6 Å²	95.6	16%	0.164	51%	0.508	C	S	.	.	H	α-helix	trans	-66.9	-37.8	174.6	175.1	0	0	0	0	110.5	C8 S9 R16 E138	C8-V12 HydrophobicContact CB-CB 4.43Å; C8-V12 HydrophobicContact CB-CG1 4.33Å; S9-V12 PolarHBondContact O-N 3.45Å; S9-V12 VanDerWaalsContact O-N 3.16Å; S9-V12 WeakPolarHBondContact OG-CG2 3.04Å; S9-V12 PolarHBondContact OG-N 3.04Å; V12-R16 HydrophobicContact CG1-CG 4.11Å; V12-R16 WeakPolarHBondContact O-CB 3.3Å; V12-R16 VanDerWaalsContact O-CG 3.28Å; V12-R16 WeakPolarHBondContact O-CG 3.34Å; V12-R16 PolarHBondContact O-N 2.9Å; V12-E138 WeakPolarHBondContact CG2-OE1 3.4Å
13	A	45.3	Very low	46	Very low	43 Å²	43	90.1 Å²	90.1	36%	0.355	48%	0.483	S	S	.	.	H	α-helix	trans	-63.4	-42.5	174.8	0	0	0	0	0	111.8	S9 T11 L17	S9-A13 PolarHBondContact O-N 3.46Å; T11-A13 VanDerWaalsContact C-N 3.33Å; A13-L17 WeakPolarHBondContact O-CB 3.32Å; A13-L17 PolarHBondContact O-N 3.36Å
14	A	43.9	Very low	46.1	Very low	55 Å²	55	84.3 Å²	84.3	46%	0.455	46%	0.46	S	S	.	.	H	α-helix	trans	-68.5	-46.8	176.7	0	0	0	0	0	112.3	S10 T11 L17 E18	S10-A14 WeakPolarHBondContact O-CB 3.43Å; S10-A14 PolarHBondContact O-N 3.03Å; T11-A14 PolarHBondContact O-N 3.17Å; A14-L17 WeakPolarHBondContact O-CB 3.43Å; A14-L17 PolarHBondContact O-N 2.99Å; A14-E18 PolarHBondContact O-N 3.03Å
15	A	44.7	Very low	46.2	Very low	50 Å²	50	87.2 Å²	87.2	41%	0.413	48%	0.478	S	S	.	.	H	α-helix	trans	-65.7	-37.9	177.2	0	0	0	0	0	111.9	T11 L17 E18 H19	T11-A15 VanDerWaalsContact O-CB 3.24Å; T11-A15 WeakPolarHBondContact O-CB 3.36Å; T11-A15 PolarHBondContact O-N 3.28Å; A15-L17 VanDerWaalsContact C-N 3.31Å; A15-L17 PolarHBondContact O-N 3.36Å; A15-E18 PolarHBondContact O-N 3.37Å; A15-H19 WeakPolarHBondContact O-CB 3.5Å; A15-H19 PolarHBondContact O-N 3.38Å; A15-H19 VanDerWaalsContact O-N 3.15Å
16	R	42.9	Very low	46.4	Very low	92 Å²	92	86 Å²	86	35%	0.347	47%	0.472	S	S	.	.	H	α-helix	trans	-65.9	-33.9	172.8	-80.9	-174.8	-179.3	178.7	3.7	111.9	V12 E18 H19 Y20 H127	V12-R16 HydrophobicContact CG1-CG 4.11Å; V12-R16 WeakPolarHBondContact O-CB 3.3Å; V12-R16 VanDerWaalsContact O-CG 3.28Å; V12-R16 WeakPolarHBondContact O-CG 3.34Å; V12-R16 PolarHBondContact O-N 2.9Å; R16-E18 VanDerWaalsContact C-N 3.3Å; R16-E18 PolarHBondContact O-N 3.27Å; R16-H19 PolarHBondContact O-N 3.48Å; R16-Y20 WeakPolarHBondContact O-CD2 3.39Å; R16-Y20 PolarHBondContact O-N 3.06Å; R16-H127 PolarHBondContact NH1-NE2 3.44Å
17	L	44.5	Very low	46.9	Very low	92 Å²	92	86.5 Å²	86.5	48%	0.482	46%	0.463	S	S	.	.	H	α-helix	trans	-65.3	-34.5	175.4	-112	145.7	0	0	0	112.3	A13 A14 A15 K98	A13-L17 WeakPolarHBondContact O-CB 3.32Å; A13-L17 PolarHBondContact O-N 3.36Å; A14-L17 WeakPolarHBondContact O-CB 3.43Å; A14-L17 PolarHBondContact O-N 2.99Å; A15-L17 VanDerWaalsContact C-N 3.31Å; A15-L17 PolarHBondContact O-N 3.36Å; L17-K98 VanDerWaalsContact CD2-CE 3.48Å; L17-K98 HydrophobicContact CD2-CG 4.23Å
18	E	45	Very low	47.3	Very low	161 Å²	161	85.6 Å²	85.6	75%	0.752	47%	0.469	S	S	*	.	H	α-helix	trans	-81	-17.8	177.1	-72.6	-174	169.3	0	0	113.9	A14 A15 R16	A14-E18 PolarHBondContact O-N 3.03Å; A15-E18 PolarHBondContact O-N 3.37Å; R16-E18 VanDerWaalsContact C-N 3.3Å; R16-E18 PolarHBondContact O-N 3.27Å
19	H	43.7	Very low	47.9	Very low	145 Å²	145	87.5 Å²	87.5	67%	0.671	47%	0.473	S	S	*	.			trans	-120.5	19.8	-170.2	-72.1	15.6	0	0	0	114.7	A15 R16 E21	A15-H19 WeakPolarHBondContact O-CB 3.5Å; A15-H19 PolarHBondContact O-N 3.38Å; A15-H19 VanDerWaalsContact O-N 3.15Å; R16-H19 PolarHBondContact O-N 3.48Å; H19-E21 PolarHBondContact O-N 3.13Å
20	Y	45.5	Very low	48.7	Very low	64 Å²	64	88.1 Å²	88.1	25%	0.251	48%	0.478	S	S	.	.			trans	-66.5	94.4	160	-84.3	-75.1	0	0	0	108	R16 Y22 R102	R16-Y20 WeakPolarHBondContact O-CD2 3.39Å; R16-Y20 PolarHBondContact O-N 3.06Å; Y20-Y22 WeakPolarHBondContact O-CD2 3.37Å; Y20-Y22 WeakPolarHBondContact O-CE2 3.22Å; Y20-Y22 PolarHBondContact O-N 2.91Å; Y20-R102 PolarHBondContact OH-NE 2.93Å
21	E	45.1	Very low	49.6	Very low	179 Å²	179	83.4 Å²	83.4	84%	0.836	45%	0.445	S	S	*	.			trans	-61.7	93.6	158.4	-74.5	-174.5	166	0	0	106.3	H19 E23	H19-E21 PolarHBondContact O-N 3.13Å; E21-E23 PolarHBondContact O-N 3.39Å
22	Y	51.6	Low	50.7	Low	55 Å²	55	85.9 Å²	85.9	22%	0.216	45%	0.449	C	S	.	.			trans	-65.1	108.8	166	-60.1	-80.2	0	0	0	105.5	Y20 T24 P31 L97 F101	Y20-Y22 WeakPolarHBondContact O-CD2 3.37Å; Y20-Y22 WeakPolarHBondContact O-CE2 3.22Å; Y20-Y22 PolarHBondContact O-N 2.91Å; Y22-T24 PolarHBondContact O-N 2.64Å; Y22-P31 VanDerWaalsContact CB-CD 3.48Å; Y22-P31 HydrophobicContact CD1-CG 3.95Å; Y22-P31 HydrophobicContact CD2-CG 4.37Å; Y22-P31 HydrophobicContact CG-CB 4.47Å; Y22-P31 HydrophobicContact CG-CG 3.71Å; Y22-L97 HydrophobicContact CD2-CD2 4.18Å; Y22-L97 HydrophobicContact CE1-CD2 4.14Å; Y22-L97 HydrophobicContact CE2-CD2 3.58Å; Y22-L97 VanDerWaalsContact OH-CB 3.31Å; Y22-L97 WeakPolarHBondContact OH-CB 3.36Å; Y22-L97 PolarHBondContact OH-O 3.36Å; Y22-F101 HydrophobicContact CD1-CB 3.62Å; Y22-F101 WeakPolarHBondContact CD1-O 3.16Å; Y22-F101 HydrophobicContact CE1-CB 3.5Å; Y22-F101 WeakPolarHBondContact CE1-O 3.47Å
23	E	48.4	Very low	52	Low	69 Å²	69	86.4 Å²	86.4	32%	0.322	46%	0.456	S	S	.	.			trans	-61.4	96.5	177.3	-78.3	-164.1	159	0	0	109.3	E21 L25 H26	E21-E23 PolarHBondContact O-N 3.39Å; E23-L25 PolarHBondContact O-N 3.39Å; E23-H26 PolarHBondContact O-N 3.49Å
24	T	46.7	Very low	53.6	Low	68 Å²	68	87 Å²	87	42%	0.417	45%	0.453	S	S	.	.	H	α-helix	trans	-50.6	-22.7	171.2	42.5	0	0	0	0	112.2	Y22 H26 G28 F29 S30	Y22-T24 PolarHBondContact O-N 2.64Å; T24-H26 PolarHBondContact O-N 2.91Å; T24-G28 CarbonylContact O-C 3.29Å; T24-G28 WeakPolarHBondContact O-CA 3.38Å; T24-G28 PolarHBondContact O-N 3.23Å; T24-F29 WeakPolarHBondContact CA-O 3.42Å; T24-F29 PolarHBondContact O-N 3.44Å; T24-S30 VanDerWaalsContact CG2-CA 3.42Å; T24-S30 VanDerWaalsContact CG2-CB 3.42Å
25	L	47	Very low	55.3	Low	135 Å²	135	84.8 Å²	84.8	71%	0.707	43%	0.434	S	S	*	.	H	α-helix	trans	-62.7	-39.7	-179.1	-78.7	160.7	0	0	0	112.7	E23	E23-L25 PolarHBondContact O-N 3.39Å
26	H	48.7	Very low	57	Low	138 Å²	138	85.7 Å²	85.7	64%	0.639	43%	0.431	S	S	*	.	H	α-helix	trans	-75.8	-33.1	-174.6	-132.8	-30.4	0	0	0	112.8	E23 T24	E23-H26 PolarHBondContact O-N 3.49Å; T24-H26 PolarHBondContact O-N 2.91Å
27	F	53.8	Low	58.9	Low	117 Å²	117	85.9 Å²	85.9	51%	0.513	44%	0.44	S	S	.	.	H	α-helix	trans	-94.4	-16.9	178.6	-70.2	-71.1	0	0	0	113.4	F29 F101	F27-F29 HydrophobicContact CB-CD1 3.91Å; F27-F29 HydrophobicContact CB-CD2 4.18Å; F27-F29 HydrophobicContact CB-CE1 3.7Å; F27-F29 HydrophobicContact CB-CE2 3.97Å; F27-F29 HydrophobicContact CB-CG 4.15Å; F27-F29 HydrophobicContact CB-CZ 3.73Å; F27-F29 HydrophobicContact CD1-CE1 4.35Å; F27-F29 AromaticContact CD1-CZ 3.97Å; F27-F29 HydrophobicContact CD1-CZ 3.97Å; F27-F29 HydrophobicContact CG-CE1 4.41Å; F27-F29 HydrophobicContact CG-CE2 4.34Å; F27-F29 HydrophobicContact CG-CZ 4.05Å; F27-F29 WeakPolarHBondContact O-CD1 3.39Å; F27-F29 WeakPolarHBondContact O-CE1 3.38Å; F27-F29 PolarHBondContact O-N 3.07Å; F27-F101 HydrophobicContact CE1-CE1 4.41Å; F27-F101 AromaticContact CE2-CD1 3.97Å; F27-F101 HydrophobicContact CE2-CD1 3.97Å; F27-F101 HydrophobicContact CE2-CE1 4.16Å; F27-F101 HydrophobicContact CZ-CD1 4.14Å; F27-F101 HydrophobicContact CZ-CE1 4.08Å
28	G	56.8	Low	60.8	Low	70 Å²	70	85.1 Å²	85.1	72%	0.722	44%	0.435	S	S	*	.	S	Bend	trans	71.4	3.5	-168.5	0	0	0	0	0	114	T24	T24-G28 CarbonylContact O-C 3.29Å; T24-G28 WeakPolarHBondContact O-CA 3.38Å; T24-G28 PolarHBondContact O-N 3.23Å
29	F	62.2	Low	62.9	Low	74 Å²	74	79.5 Å²	79.5	33%	0.325	41%	0.407	S	S	.	.	S	Bend	trans	-146.8	157.2	179.4	60.5	-99.7	0	0	0	110.9	T24 F27 L34	T24-F29 WeakPolarHBondContact CA-O 3.42Å; T24-F29 PolarHBondContact O-N 3.44Å; F27-F29 HydrophobicContact CB-CD1 3.91Å; F27-F29 HydrophobicContact CB-CD2 4.18Å; F27-F29 HydrophobicContact CB-CE1 3.7Å; F27-F29 HydrophobicContact CB-CE2 3.97Å; F27-F29 HydrophobicContact CB-CG 4.15Å; F27-F29 HydrophobicContact CB-CZ 3.73Å; F27-F29 HydrophobicContact CD1-CE1 4.35Å; F27-F29 AromaticContact CD1-CZ 3.97Å; F27-F29 HydrophobicContact CD1-CZ 3.97Å; F27-F29 HydrophobicContact CG-CE1 4.41Å; F27-F29 HydrophobicContact CG-CE2 4.34Å; F27-F29 HydrophobicContact CG-CZ 4.05Å; F27-F29 WeakPolarHBondContact O-CD1 3.39Å; F27-F29 WeakPolarHBondContact O-CE1 3.38Å; F27-F29 PolarHBondContact O-N 3.07Å; F29-L34 HydrophobicContact CD2-CB 3.7Å; F29-L34 HydrophobicContact CD2-CD2 4.48Å; F29-L34 HydrophobicContact CD2-CG 4.49Å; F29-L34 HydrophobicContact CE2-CB 3.7Å; F29-L34 HydrophobicContact CE2-CD1 4.33Å; F29-L34 HydrophobicContact CE2-CD2 3.63Å; F29-L34 HydrophobicContact CE2-CG 4.08Å; F29-L34 HydrophobicContact CZ-CD1 4.46Å; F29-L34 HydrophobicContact CZ-CD2 3.99Å
30	S	65.4	Low	65	Low	40 Å²	40	76.5 Å²	76.5	28%	0.28	40%	0.396	S	S	.	.			trans	-83	136.9	170	74.6	0	0	0	0	108.3	T24 K32 A33 L34	T24-S30 VanDerWaalsContact CG2-CA 3.42Å; T24-S30 VanDerWaalsContact CG2-CB 3.42Å; S30-K32 PolarHBondContact O-N 3.39Å; S30-A33 WeakPolarHBondContact O-CA 3.38Å; S30-A33 WeakPolarHBondContact O-CB 2.99Å; S30-A33 PolarHBondContact O-N 3.33Å; S30-A33 WeakPolarHBondContact OG-CB 3.44Å; S30-A33 PolarHBondContact OG-N 3.41Å; S30-L34 PolarHBondContact O-N 3.05Å
31	P	67.2	Low	67	Low	2 Å²	2	78.1 Å²	78.1	1%	0.013	41%	0.408	C	S	.	.	H	α-helix	trans	-52.6	-30.9	174.8	-31.6	39	0	0	0	112.9	Y22 L34 M35 L97 F101	Y22-P31 VanDerWaalsContact CB-CD 3.48Å; Y22-P31 HydrophobicContact CD1-CG 3.95Å; Y22-P31 HydrophobicContact CD2-CG 4.37Å; Y22-P31 HydrophobicContact CG-CB 4.47Å; Y22-P31 HydrophobicContact CG-CG 3.71Å; P31-L34 PolarHBondContact O-N 3.05Å; P31-M35 WeakPolarHBondContact O-CG 3.25Å; P31-M35 PolarHBondContact O-N 3.45Å; P31-L97 HydrophobicContact CB-CD2 3.63Å; P31-F101 HydrophobicContact CB-CD1 4.3Å; P31-F101 HydrophobicContact CB-CD2 3.7Å; P31-F101 HydrophobicContact CB-CE1 4.45Å; P31-F101 HydrophobicContact CB-CE2 3.87Å; P31-F101 HydrophobicContact CB-CG 3.93Å; P31-F101 HydrophobicContact CB-CZ 4.24Å; P31-F101 HydrophobicContact CG-CB 4.21Å; P31-F101 HydrophobicContact CG-CD1 3.84Å; P31-F101 HydrophobicContact CG-CD2 4.11Å; P31-F101 HydrophobicContact CG-CE1 4.19Å; P31-F101 HydrophobicContact CG-CE2 4.44Å; P31-F101 HydrophobicContact CG-CG 3.8Å; P31-F101 HydrophobicContact CG-CZ 4.47Å
32	K	70.7	Confident	69.1	Low	127 Å²	127	72.5 Å²	72.5	55%	0.552	39%	0.386	S	S	*	.	H	α-helix	trans	-64.3	-50	171.9	-166.9	176.7	-179.7	-179.2	0	112	S30 L34 M35 D36	S30-K32 PolarHBondContact O-N 3.39Å; K32-L34 VanDerWaalsContact C-N 3.27Å; K32-L34 PolarHBondContact O-N 3.37Å; K32-M35 PolarHBondContact O-N 2.97Å; K32-M35 VanDerWaalsContact O-N 3.12Å; K32-D36 WeakPolarHBondContact O-CB 3.41Å; K32-D36 PolarHBondContact O-N 3.31Å
33	A	72.8	Confident	71	Confident	38 Å²	38	72.5 Å²	72.5	31%	0.314	39%	0.387	S	S	.	.	H	α-helix	trans	-61.4	-34.3	176.3	0	0	0	0	0	112.6	S30 N37	S30-A33 WeakPolarHBondContact O-CA 3.38Å; S30-A33 WeakPolarHBondContact O-CB 2.99Å; S30-A33 PolarHBondContact O-N 3.33Å; S30-A33 WeakPolarHBondContact OG-CB 3.44Å; S30-A33 PolarHBondContact OG-N 3.41Å; A33-N37 WeakPolarHBondContact O-CB 3.46Å; A33-N37 PolarHBondContact O-N 3.23Å
34	L	78.3	Confident	73	Confident	56 Å²	56	75.9 Å²	75.9	29%	0.293	40%	0.403	S	S	.	.	H	α-helix	trans	-62	-49.7	172.1	178.7	71.2	0	0	0	111.1	F29 S30 P31 K32 D36 N37 I38 F101	F29-L34 HydrophobicContact CD2-CB 3.7Å; F29-L34 HydrophobicContact CD2-CD2 4.48Å; F29-L34 HydrophobicContact CD2-CG 4.49Å; F29-L34 HydrophobicContact CE2-CB 3.7Å; F29-L34 HydrophobicContact CE2-CD1 4.33Å; F29-L34 HydrophobicContact CE2-CD2 3.63Å; F29-L34 HydrophobicContact CE2-CG 4.08Å; F29-L34 HydrophobicContact CZ-CD1 4.46Å; F29-L34 HydrophobicContact CZ-CD2 3.99Å; S30-L34 PolarHBondContact O-N 3.05Å; P31-L34 PolarHBondContact O-N 3.05Å; K32-L34 VanDerWaalsContact C-N 3.27Å; K32-L34 PolarHBondContact O-N 3.37Å; L34-D36 VanDerWaalsContact C-N 3.35Å; L34-N37 PolarHBondContact O-N 3.39Å; L34-I38 HydrophobicContact CD1-CD1 4.44Å; L34-I38 HydrophobicContact CG-CD1 4.11Å; L34-I38 WeakPolarHBondContact O-CG1 3.49Å; L34-I38 PolarHBondContact O-N 3.49Å; L34-F101 HydrophobicContact CD2-CZ 4.13Å
35	M	80.5	Confident	75.1	Confident	9 Å²	9	77.6 Å²	77.6	4%	0.044	41%	0.409	C	S	.	.	H	α-helix	trans	-64.6	-39.6	179.6	-71.1	-57.3	-53.2	0	0	112.1	P31 K32 N37 I38 Y39 I89 L92 Q93	P31-M35 WeakPolarHBondContact O-CG 3.25Å; P31-M35 PolarHBondContact O-N 3.45Å; K32-M35 PolarHBondContact O-N 2.97Å; K32-M35 VanDerWaalsContact O-N 3.12Å; M35-N37 VanDerWaalsContact C-N 3.34Å; M35-I38 PolarHBondContact O-N 2.86Å; M35-I38 HydrophobicContact SD-CD1 4.31Å; M35-Y39 WeakPolarHBondContact O-CB 3.48Å; M35-Y39 PolarHBondContact O-N 3.37Å; M35-I89 HydrophobicContact CE-CG2 3.93Å; M35-L92 HydrophobicContact CE-CD2 4.17Å; M35-Q93 HydrophobicContact CB-CB 4.48Å; M35-Q93 HydrophobicContact CB-CG 4.14Å; M35-Q93 HydrophobicContact CE-CB 4.1Å; M35-Q93 HydrophobicContact CG-CB 4.26Å; M35-Q93 HydrophobicContact CG-CG 4.06Å
36	D	80.1	Confident	77.2	Confident	68 Å²	68	72.4 Å²	72.4	36%	0.364	39%	0.385	S	S	.	.	H	α-helix	trans	-65.5	-38.5	176	-63.8	-12.5	0	0	0	110.6	K32 L34 Y39 N40	K32-D36 WeakPolarHBondContact O-CB 3.41Å; K32-D36 PolarHBondContact O-N 3.31Å; L34-D36 VanDerWaalsContact C-N 3.35Å; D36-Y39 WeakPolarHBondContact O-CB 3.31Å; D36-Y39 PolarHBondContact O-N 3.23Å; D36-N40 WeakPolarHBondContact O-CB 3.47Å; D36-N40 PolarHBondContact O-N 3.19Å; D36-N40 PolarHBondContact O-ND2 3.3Å
37	N	82.8	Confident	79.3	Confident	97 Å²	97	67.6 Å²	67.6	52%	0.519	36%	0.364	S	S	.	.	H	α-helix	trans	-65.3	-42.3	173.2	-88.2	-12.6	0	0	0	112.5	A33 L34 M35 Y39 N40 I41	A33-N37 WeakPolarHBondContact O-CB 3.46Å; A33-N37 PolarHBondContact O-N 3.23Å; L34-N37 PolarHBondContact O-N 3.39Å; M35-N37 VanDerWaalsContact C-N 3.34Å; N37-Y39 VanDerWaalsContact C-N 3.29Å; N37-Y39 PolarHBondContact O-N 2.94Å; N37-N40 PolarHBondContact O-N 3.46Å; N37-I41 WeakPolarHBondContact O-CB 3.45Å; N37-I41 VanDerWaalsContact O-CG1 3.29Å; N37-I41 WeakPolarHBondContact O-CG1 3.45Å; N37-I41 PolarHBondContact O-N 3.09Å
38	I	84.9	Confident	81	Confident	75 Å²	75	65 Å²	65	39%	0.385	36%	0.364	S	S	.	.	H	α-helix	trans	-61.5	-42.5	175.8	-68.7	166.6	0	0	0	110	L34 M35 T42	L34-I38 HydrophobicContact CD1-CD1 4.44Å; L34-I38 HydrophobicContact CG-CD1 4.11Å; L34-I38 WeakPolarHBondContact O-CG1 3.49Å; L34-I38 PolarHBondContact O-N 3.49Å; M35-I38 PolarHBondContact O-N 2.86Å; M35-I38 HydrophobicContact SD-CD1 4.31Å; I38-T42 VanDerWaalsContact O-CB 3.32Å; I38-T42 WeakPolarHBondContact O-CB 3.35Å; I38-T42 PolarHBondContact O-N 3.26Å; I38-T42 PolarHBondContact O-OG1 3.43Å
39	Y	88.3	Confident	82.6	Confident	43 Å²	43	67.6 Å²	67.6	17%	0.169	36%	0.357	C	S	.	.	H	α-helix	trans	-57.2	-54.3	174.2	-178.3	-82	0	0	0	111.1	M35 D36 N37 I41 T42 F43 L85 D86 I89	M35-Y39 WeakPolarHBondContact O-CB 3.48Å; M35-Y39 PolarHBondContact O-N 3.37Å; D36-Y39 WeakPolarHBondContact O-CB 3.31Å; D36-Y39 PolarHBondContact O-N 3.23Å; N37-Y39 VanDerWaalsContact C-N 3.29Å; N37-Y39 PolarHBondContact O-N 2.94Å; Y39-I41 PolarHBondContact O-N 3.21Å; Y39-T42 PolarHBondContact O-N 3.29Å; Y39-F43 HydrophobicContact CE1-CB 4.44Å; Y39-F43 WeakPolarHBondContact O-CB 3.34Å; Y39-F43 PolarHBondContact O-N 2.85Å; Y39-L85 HydrophobicContact CD1-CD2 4.27Å; Y39-L85 HydrophobicContact CD2-CD2 3.66Å; Y39-L85 HydrophobicContact CD2-CG 3.85Å; Y39-L85 HydrophobicContact CE1-CD2 4.08Å; Y39-L85 HydrophobicContact CE2-CB 4.2Å; Y39-L85 HydrophobicContact CE2-CD2 3.45Å; Y39-L85 VanDerWaalsContact CE2-CD2 3.45Å; Y39-L85 HydrophobicContact CE2-CG 3.66Å; Y39-L85 HydrophobicContact CG-CD2 4.06Å; Y39-D86 WeakPolarHBondContact CE2-OD1 3.28Å; Y39-D86 PolarHBondContact OH-OD1 3.37Å; Y39-I89 HydrophobicContact CD2-CB 4.29Å; Y39-I89 HydrophobicContact CD2-CD1 3.7Å; Y39-I89 HydrophobicContact CD2-CG1 4.5Å; Y39-I89 HydrophobicContact CD2-CG2 4.21Å; Y39-I89 HydrophobicContact CG-CD1 4.25Å
40	N	87.7	Confident	84	Confident	83 Å²	83	64.3 Å²	64.3	44%	0.444	34%	0.343	S	S	.	.	H	α-helix	trans	-60.7	-46	-176.4	-69.6	-21.7	0	0	0	112	D36 N37 T42 F43 E44	D36-N40 WeakPolarHBondContact O-CB 3.47Å; D36-N40 PolarHBondContact O-N 3.19Å; D36-N40 PolarHBondContact O-ND2 3.3Å; N37-N40 PolarHBondContact O-N 3.46Å; N40-T42 PolarHBondContact O-N 3.49Å; N40-F43 PolarHBondContact O-N 3.47Å; N40-E44 WeakPolarHBondContact O-CB 3.42Å; N40-E44 WeakPolarHBondContact O-CG 3.34Å; N40-E44 PolarHBondContact O-N 3.15Å
41	I	88.5	Confident	85.1	Confident	98 Å²	98	64.2 Å²	64.2	50%	0.503	34%	0.344	S	S	.	.	H	α-helix	trans	-63.5	-44.2	178.6	-67.8	167.5	0	0	0	110.7	N37 Y39 F43 E44 I45	N37-I41 WeakPolarHBondContact O-CB 3.45Å; N37-I41 VanDerWaalsContact O-CG1 3.29Å; N37-I41 WeakPolarHBondContact O-CG1 3.45Å; N37-I41 PolarHBondContact O-N 3.09Å; Y39-I41 PolarHBondContact O-N 3.21Å; I41-F43 VanDerWaalsContact C-N 3.32Å; I41-F43 PolarHBondContact O-N 3.41Å; I41-E44 PolarHBondContact O-N 3.3Å; I41-I45 HydrophobicContact CG2-CD1 3.83Å; I41-I45 VanDerWaalsContact O-CG1 3.27Å; I41-I45 WeakPolarHBondContact O-CG1 3.49Å; I41-I45 PolarHBondContact O-N 3.28Å
42	T	89.2	Confident	86.2	Confident	60 Å²	60	66.4 Å²	66.4	37%	0.368	36%	0.363	S	S	.	.	H	α-helix	trans	-65.1	-40	179.5	-51.7	0	0	0	0	111.1	I38 Y39 N40 A46 L85	I38-T42 VanDerWaalsContact O-CB 3.32Å; I38-T42 WeakPolarHBondContact O-CB 3.35Å; I38-T42 PolarHBondContact O-N 3.26Å; I38-T42 PolarHBondContact O-OG1 3.43Å; Y39-T42 PolarHBondContact O-N 3.29Å; N40-T42 PolarHBondContact O-N 3.49Å; T42-A46 WeakPolarHBondContact O-CB 3.45Å; T42-A46 PolarHBondContact O-N 2.84Å; T42-L85 HydrophobicContact CG2-CD1 3.75Å
43	F	91	Very high	87	Confident	56 Å²	56	63.9 Å²	63.9	25%	0.246	36%	0.355	C	S	.	.	H	α-helix	trans	-66.2	-45.5	176.9	-173.4	-99	0	0	0	111.8	Y39 N40 I41 I45 A46 M47 E82 L85	Y39-F43 HydrophobicContact CE1-CB 4.44Å; Y39-F43 WeakPolarHBondContact O-CB 3.34Å; Y39-F43 PolarHBondContact O-N 2.85Å; N40-F43 PolarHBondContact O-N 3.47Å; I41-F43 VanDerWaalsContact C-N 3.32Å; I41-F43 PolarHBondContact O-N 3.41Å; F43-I45 PolarHBondContact O-N 3.19Å; F43-A46 PolarHBondContact O-N 2.88Å; F43-M47 HydrophobicContact CD1-CG 3.85Å; F43-M47 HydrophobicContact CD2-CE 4.36Å; F43-M47 HydrophobicContact CE1-CG 3.47Å; F43-M47 VanDerWaalsContact CE1-CG 3.47Å; F43-M47 HydrophobicContact CE1-SD 4.21Å; F43-M47 HydrophobicContact CE2-CE 3.85Å; F43-M47 HydrophobicContact CE2-CG 4.19Å; F43-M47 HydrophobicContact CE2-SD 4.21Å; F43-M47 HydrophobicContact CG-CG 4.36Å; F43-M47 HydrophobicContact CZ-CE 4.07Å; F43-M47 HydrophobicContact CZ-CG 3.67Å; F43-M47 HydrophobicContact CZ-SD 3.8Å; F43-M47 WeakPolarHBondContact O-CB 3.5Å; F43-M47 VanDerWaalsContact O-CG 3.3Å; F43-M47 WeakPolarHBondContact O-CG 3.33Å; F43-M47 PolarHBondContact O-N 3.37Å; F43-E82 HydrophobicContact CE2-CB 4.16Å; F43-E82 HydrophobicContact CE2-CG 4.32Å; F43-L85 HydrophobicContact CB-CD2 3.85Å; F43-L85 HydrophobicContact CD2-CD2 4.07Å; F43-L85 HydrophobicContact CG-CD2 4.46Å
44	E	90.4	Very high	87.8	Confident	139 Å²	139	63.7 Å²	63.7	65%	0.65	35%	0.347	S	S	*	.	H	α-helix	trans	-59.2	-45.3	176.7	-80.7	-171.5	166.3	0	0	112	N40 I41 A46 M47 A48	N40-E44 WeakPolarHBondContact O-CB 3.42Å; N40-E44 WeakPolarHBondContact O-CG 3.34Å; N40-E44 PolarHBondContact O-N 3.15Å; I41-E44 PolarHBondContact O-N 3.3Å; E44-A46 PolarHBondContact O-N 3.38Å; E44-M47 PolarHBondContact O-N 3.29Å; E44-A48 WeakPolarHBondContact O-CB 3.26Å; E44-A48 PolarHBondContact O-N 3.05Å
45	I	91.4	Very high	88.2	Confident	105 Å²	105	68.2 Å²	68.2	54%	0.538	37%	0.367	S	S	.	.	H	α-helix	trans	-61.2	-46.5	176.5	-67.2	167	0	0	0	110.3	I41 F43 M47 A48 E49	I41-I45 HydrophobicContact CG2-CD1 3.83Å; I41-I45 VanDerWaalsContact O-CG1 3.27Å; I41-I45 WeakPolarHBondContact O-CG1 3.49Å; I41-I45 PolarHBondContact O-N 3.28Å; F43-I45 PolarHBondContact O-N 3.19Å; I45-M47 VanDerWaalsContact C-N 3.35Å; I45-M47 PolarHBondContact O-N 2.89Å; I45-A48 PolarHBondContact O-N 3.2Å; I45-E49 PolarHBondContact O-N 3.17Å; I45-E49 VanDerWaalsContact O-N 3.17Å
46	A	90.1	Very high	88.6	Confident	26 Å²	26	74 Å²	74	22%	0.215	39%	0.394	C	S	.	.	H	α-helix	trans	-63.6	-39.2	178.7	0	0	0	0	0	112.4	T42 F43 E44 E49 V50 I81	T42-A46 WeakPolarHBondContact O-CB 3.45Å; T42-A46 PolarHBondContact O-N 2.84Å; F43-A46 PolarHBondContact O-N 2.88Å; E44-A46 PolarHBondContact O-N 3.38Å; A46-E49 PolarHBondContact O-N 3.47Å; A46-V50 VanDerWaalsContact O-CG2 3.31Å; A46-V50 WeakPolarHBondContact O-CG2 3.45Å; A46-V50 PolarHBondContact O-N 3.09Å; A46-I81 HydrophobicContact CB-CG2 4.01Å
47	M	92.1	Very high	88.9	Confident	37 Å²	37	74.1 Å²	74.1	18%	0.182	39%	0.394	C	S	.	.	H	α-helix	trans	-68.9	-34.5	177.7	-70.9	-55.3	103.6	0	0	112.4	F43 E44 I45 V50 A51 R78 I81	F43-M47 HydrophobicContact CD1-CG 3.85Å; F43-M47 HydrophobicContact CD2-CE 4.36Å; F43-M47 HydrophobicContact CE1-CG 3.47Å; F43-M47 VanDerWaalsContact CE1-CG 3.47Å; F43-M47 HydrophobicContact CE1-SD 4.21Å; F43-M47 HydrophobicContact CE2-CE 3.85Å; F43-M47 HydrophobicContact CE2-CG 4.19Å; F43-M47 HydrophobicContact CE2-SD 4.21Å; F43-M47 HydrophobicContact CG-CG 4.36Å; F43-M47 HydrophobicContact CZ-CE 4.07Å; F43-M47 HydrophobicContact CZ-CG 3.67Å; F43-M47 HydrophobicContact CZ-SD 3.8Å; F43-M47 WeakPolarHBondContact O-CB 3.5Å; F43-M47 VanDerWaalsContact O-CG 3.3Å; F43-M47 WeakPolarHBondContact O-CG 3.33Å; F43-M47 PolarHBondContact O-N 3.37Å; E44-M47 PolarHBondContact O-N 3.29Å; I45-M47 VanDerWaalsContact C-N 3.35Å; I45-M47 PolarHBondContact O-N 2.89Å; M47-V50 HydrophobicContact CE-CG2 4.49Å; M47-V50 PolarHBondContact O-N 2.9Å; M47-A51 WeakPolarHBondContact O-CB 3.25Å; M47-A51 PolarHBondContact O-N 3.41Å; M47-R78 HydrophobicContact CE-CB 4.5Å; M47-R78 HydrophobicContact CE-CG 4.31Å; M47-R78 HydrophobicContact SD-CB 4.35Å; M47-R78 HydrophobicContact SD-CG 3.89Å; M47-I81 HydrophobicContact CE-CB 4.28Å; M47-I81 HydrophobicContact CE-CD1 4.21Å; M47-I81 HydrophobicContact CE-CG2 3.99Å
48	A	91.1	Very high	89	Confident	62 Å²	62	72.1 Å²	72.1	51%	0.512	38%	0.383	S	S	.	.	H	α-helix	trans	-62.7	-44	174	0	0	0	0	0	111.6	E44 I45 A51 A52	E44-A48 WeakPolarHBondContact O-CB 3.26Å; E44-A48 PolarHBondContact O-N 3.05Å; I45-A48 PolarHBondContact O-N 3.2Å; A48-A51 PolarHBondContact O-N 3.3Å; A48-A52 PolarHBondContact O-N 3.42Å
49	E	90.6	Very high	89	Confident	124 Å²	124	73.1 Å²	73.1	58%	0.579	40%	0.397	S	S	*	.	H	α-helix	trans	-64.9	-41.4	175.6	-67.6	-63.1	150.3	0	0	112.1	I45 A46 A51 A52 I53	I45-E49 PolarHBondContact O-N 3.17Å; I45-E49 VanDerWaalsContact O-N 3.17Å; A46-E49 PolarHBondContact O-N 3.47Å; E49-A51 VanDerWaalsContact C-N 3.3Å; E49-A51 PolarHBondContact O-N 3.25Å; E49-A52 WeakPolarHBondContact O-CB 3.29Å; E49-A52 PolarHBondContact O-N 3.38Å; E49-I53 WeakPolarHBondContact O-CG1 3.42Å; E49-I53 PolarHBondContact O-N 2.87Å
50	V	90.6	Very high	88.8	Confident	5 Å²	5	78 Å²	78	3%	0.03	42%	0.421	C	S	.	.	H	α-helix	trans	-63	-38.1	175.4	173.2	0	0	0	0	111.5	A46 M47 A52 I53 E54 L74 L77 R78 I81	A46-V50 VanDerWaalsContact O-CG2 3.31Å; A46-V50 WeakPolarHBondContact O-CG2 3.45Å; A46-V50 PolarHBondContact O-N 3.09Å; M47-V50 HydrophobicContact CE-CG2 4.49Å; M47-V50 PolarHBondContact O-N 2.9Å; V50-A52 VanDerWaalsContact C-N 3.35Å; V50-I53 PolarHBondContact O-N 3.22Å; V50-E54 WeakPolarHBondContact O-CB 3.43Å; V50-E54 PolarHBondContact O-N 2.94Å; V50-L74 HydrophobicContact CG1-CD2 4.18Å; V50-L77 HydrophobicContact CG2-CD2 4.38Å; V50-R78 HydrophobicContact CG1-CG 3.87Å; V50-I81 HydrophobicContact CG2-CD1 3.54Å
51	A	89.2	Confident	88.2	Confident	38 Å²	38	74.7 Å²	74.7	31%	0.314	41%	0.405	S	S	.	.	H	α-helix	trans	-66.9	-35.8	176.1	0	0	0	0	0	112.2	M47 A48 E49 E54 Q55	M47-A51 WeakPolarHBondContact O-CB 3.25Å; M47-A51 PolarHBondContact O-N 3.41Å; A48-A51 PolarHBondContact O-N 3.3Å; E49-A51 VanDerWaalsContact C-N 3.3Å; E49-A51 PolarHBondContact O-N 3.25Å; A51-E54 WeakPolarHBondContact O-CB 3.37Å; A51-E54 PolarHBondContact O-N 3.44Å; A51-Q55 PolarHBondContact O-N 3.46Å; A51-Q55 VanDerWaalsContact O-N 3.09Å
52	A	90	Very high	87.7	Confident	49 Å²	49	77.3 Å²	77.3	41%	0.405	42%	0.42	S	S	.	.	H	α-helix	trans	-64.2	-45.5	173.5	0	0	0	0	0	111.5	A48 E49 V50 E54 Q55 E56	A48-A52 PolarHBondContact O-N 3.42Å; E49-A52 WeakPolarHBondContact O-CB 3.29Å; E49-A52 PolarHBondContact O-N 3.38Å; V50-A52 VanDerWaalsContact C-N 3.35Å; A52-E54 VanDerWaalsContact C-N 3.3Å; A52-E54 PolarHBondContact O-N 2.99Å; A52-Q55 PolarHBondContact O-N 3.07Å; A52-E56 PolarHBondContact O-N 2.68Å; A52-E56 VanDerWaalsContact O-N 3.13Å
53	I	88.1	Confident	87.5	Confident	73 Å²	73	79.3 Å²	79.3	37%	0.374	43%	0.428	S	S	.	.	H	α-helix	trans	-61.6	-39.2	175	-65.2	166.6	0	0	0	111.2	E49 V50 E56 L57 L74	E49-I53 WeakPolarHBondContact O-CG1 3.42Å; E49-I53 PolarHBondContact O-N 2.87Å; V50-I53 PolarHBondContact O-N 3.22Å; I53-E56 PolarHBondContact O-N 3.15Å; I53-L57 HydrophobicContact CG2-CD1 3.65Å; I53-L57 HydrophobicContact CG2-CG 4.19Å; I53-L57 WeakPolarHBondContact O-CB 3.25Å; I53-L57 WeakPolarHBondContact O-CG 3.2Å; I53-L57 PolarHBondContact O-N 2.98Å; I53-L74 HydrophobicContact CG2-CD2 4.23Å
54	E	88.5	Confident	87.1	Confident	34 Å²	34	82.8 Å²	82.8	16%	0.159	45%	0.445	C	S	.	.	H	α-helix	trans	-60.3	-45.6	176.7	-176.1	165.8	-152	0	0	111.8	V50 A51 A52 E56 L58 L74 R78	V50-E54 WeakPolarHBondContact O-CB 3.43Å; V50-E54 PolarHBondContact O-N 2.94Å; A51-E54 WeakPolarHBondContact O-CB 3.37Å; A51-E54 PolarHBondContact O-N 3.44Å; A52-E54 VanDerWaalsContact C-N 3.3Å; A52-E54 PolarHBondContact O-N 2.99Å; E54-E56 PolarHBondContact O-N 3.48Å; E54-L58 HydrophobicContact CG-CD1 3.69Å; E54-L58 HydrophobicContact CG-CG 4.34Å; E54-L58 VanDerWaalsContact O-CB 3.31Å; E54-L58 WeakPolarHBondContact O-CB 3.2Å; E54-L58 VanDerWaalsContact O-CG 3.22Å; E54-L58 WeakPolarHBondContact O-CG 3.23Å; E54-L58 PolarHBondContact O-N 3.45Å; E54-L74 HydrophobicContact CB-CD1 3.63Å; E54-L74 HydrophobicContact CG-CD1 3.66Å; E54-R78 IonicContact OE2-CZ 3.97Å; E54-R78 IonicContact OE2-NH1 3.18Å; E54-R78 IonicContact OE2-NH2 3.24Å; E54-R78 PolarHBondContact OE2-NH2 2.98Å
55	Q	87.2	Confident	86.9	Confident	152 Å²	152	82.9 Å²	82.9	71%	0.71	45%	0.45	S	S	*	.	H	α-helix	trans	-62.9	-41.8	177.8	-74.7	-175.9	-9.2	0	0	112.2	A51 A52 S59	A51-Q55 PolarHBondContact O-N 3.46Å; A51-Q55 VanDerWaalsContact O-N 3.09Å; A52-Q55 PolarHBondContact O-N 3.07Å; Q55-S59 PolarHBondContact O-N 3.32Å
56	E	88.1	Confident	86.5	Confident	131 Å²	131	85.2 Å²	85.2	61%	0.612	45%	0.452	S	S	*	.	H	α-helix	trans	-67	-46.6	179.9	-163	170.6	-166.2	0	0	111.4	A52 I53 E54 L58 S59 E60	A52-E56 PolarHBondContact O-N 2.68Å; A52-E56 VanDerWaalsContact O-N 3.13Å; I53-E56 PolarHBondContact O-N 3.15Å; E54-E56 PolarHBondContact O-N 3.48Å; E56-L58 PolarHBondContact O-N 3.34Å; E56-S59 WeakPolarHBondContact O-CB 3.44Å; E56-S59 PolarHBondContact O-N 2.91Å; E56-S59 VanDerWaalsContact O-N 3.15Å; E56-S59 PolarHBondContact O-OG 3.25Å; E56-E60 PolarHBondContact O-N 3.38Å
57	L	86.1	Confident	86.2	Confident	69 Å²	69	86.9 Å²	86.9	36%	0.361	45%	0.454	S	S	.	.	H	α-helix	trans	-67.7	-36.9	179.4	-71.6	171.9	0	0	0	113.5	I53 S59 E60 A61 V70 L74	I53-L57 HydrophobicContact CG2-CD1 3.65Å; I53-L57 HydrophobicContact CG2-CG 4.19Å; I53-L57 WeakPolarHBondContact O-CB 3.25Å; I53-L57 WeakPolarHBondContact O-CG 3.2Å; I53-L57 PolarHBondContact O-N 2.98Å; L57-S59 PolarHBondContact O-N 2.9Å; L57-E60 PolarHBondContact O-N 3.47Å; L57-A61 PolarHBondContact O-N 3.49Å; L57-V70 HydrophobicContact CB-CG1 3.78Å; L57-V70 HydrophobicContact CD1-CG1 4.15Å; L57-L74 HydrophobicContact CD1-CD1 4.46Å
58	L	85.9	Confident	85.9	Confident	56 Å²	56	88.1 Å²	88.1	29%	0.293	47%	0.47	S	S	.	.	H	α-helix	trans	-67.7	-23.5	175.5	-73.4	171.5	0	0	0	112	E54 E56 K67	E54-L58 HydrophobicContact CG-CD1 3.69Å; E54-L58 HydrophobicContact CG-CG 4.34Å; E54-L58 VanDerWaalsContact O-CB 3.31Å; E54-L58 WeakPolarHBondContact O-CB 3.2Å; E54-L58 VanDerWaalsContact O-CG 3.22Å; E54-L58 WeakPolarHBondContact O-CG 3.23Å; E54-L58 PolarHBondContact O-N 3.45Å; E56-L58 PolarHBondContact O-N 3.34Å; L58-K67 HydrophobicContact CD2-CB 3.82Å; L58-K67 HydrophobicContact CD2-CD 4.36Å; L58-K67 HydrophobicContact CD2-CG 3.89Å
59	S	84.7	Confident	85.8	Confident	95 Å²	95	87.3 Å²	87.3	66%	0.664	46%	0.464	S	S	*	.	H	α-helix	trans	-75	-29.2	175.4	81.9	0	0	0	0	113.3	Q55 E56 L57	Q55-S59 PolarHBondContact O-N 3.32Å; E56-S59 WeakPolarHBondContact O-CB 3.44Å; E56-S59 PolarHBondContact O-N 2.91Å; E56-S59 VanDerWaalsContact O-N 3.15Å; E56-S59 PolarHBondContact O-OG 3.25Å; L57-S59 PolarHBondContact O-N 2.9Å
60	E	83.5	Confident	85.6	Confident	145 Å²	145	82.9 Å²	82.9	68%	0.678	45%	0.445	S	S	*	.	H	α-helix	trans	-87.2	-19.2	177.8	-66.4	-169.9	156.3	0	0	113.6	E56 L57 L62	E56-E60 PolarHBondContact O-N 3.38Å; L57-E60 PolarHBondContact O-N 3.47Å; E60-L62 PolarHBondContact O-N 2.9Å
61	A	76.7	Confident	85.5	Confident	14 Å²	14	84.9 Å²	84.9	12%	0.116	46%	0.457	C	S	.	.			trans	-78.5	110.7	-176.4	0	0	0	0	0	112.8	L57 R66 K67	L57-A61 PolarHBondContact O-N 3.49Å; A61-R66 HydrophobicContact CB-CB 4.3Å; A61-K67 HydrophobicContact CB-CG 3.71Å; A61-K67 WeakPolarHBondContact O-CE 3.5Å
62	L	77.9	Confident	85.5	Confident	154 Å²	154	88.2 Å²	88.2	81%	0.806	47%	0.47	S	S	*	.			trans	-74.6	-36.8	-178.6	-74.2	151	0	0	0	114.8	E60	E60-L62 PolarHBondContact O-N 2.9Å
63	D	84.2	Confident	85.5	Confident	101 Å²	101	95 Å²	95	54%	0.54	49%	0.485	S	S	.	.	S	Bend	trans	-107	145	-175.9	-79.1	-37.7	0	0	0	112.2	D65 R66 K67	D63-D65 VanDerWaalsContact C-N 3.28Å; D63-D65 PolarHBondContact O-N 2.98Å; D63-R66 WeakPolarHBondContact O-CB 3.45Å; D63-R66 PolarHBondContact O-N 2.86Å; D63-K67 PolarHBondContact O-N 2.85Å; D63-K67 VanDerWaalsContact O-N 3.08Å
64	E	82.6	Confident	85.6	Confident	130 Å²	130	91.9 Å²	91.9	61%	0.607	47%	0.469	S	S	*	.	H	α-helix	trans	-59.3	-36.1	176.7	-74	-60.1	132.5	0	0	112.6	R66 K67 A68	E64-R66 VanDerWaalsContact C-N 3.27Å; E64-R66 PolarHBondContact O-N 2.95Å; E64-K67 PolarHBondContact O-N 3.29Å; E64-K67 IonicContact OE1-NZ 2.9Å; E64-K67 PolarHBondContact OE1-NZ 2.68Å; E64-A68 PolarHBondContact O-N 3.31Å
65	D	85.9	Confident	85.7	Confident	140 Å²	140	93.9 Å²	93.9	75%	0.749	48%	0.481	S	S	*	.	H	α-helix	trans	-62.1	-35.5	175.1	-72.2	-21.9	0	0	0	112	D63 A69	D63-D65 VanDerWaalsContact C-N 3.28Å; D63-D65 PolarHBondContact O-N 2.98Å; D65-A69 WeakPolarHBondContact O-CB 3.42Å; D65-A69 PolarHBondContact O-N 2.7Å; D65-A69 VanDerWaalsContact O-N 3.09Å
66	R	83.5	Confident	85.9	Confident	154 Å²	154	91.8 Å²	91.8	58%	0.581	47%	0.474	S	S	*	.	H	α-helix	trans	-72.3	-40.7	175.2	-73.6	-173.1	-177.7	-177.4	3	111.6	A61 D63 E64 A69 V70	A61-R66 HydrophobicContact CB-CB 4.3Å; D63-R66 WeakPolarHBondContact O-CB 3.45Å; D63-R66 PolarHBondContact O-N 2.86Å; E64-R66 VanDerWaalsContact C-N 3.27Å; E64-R66 PolarHBondContact O-N 2.95Å; R66-A69 PolarHBondContact O-N 3.24Å; R66-V70 VanDerWaalsContact O-CG2 3.29Å; R66-V70 WeakPolarHBondContact O-CG2 3.34Å; R66-V70 PolarHBondContact O-N 2.92Å
67	K	83.5	Confident	86	Confident	61 Å²	61	88.9 Å²	88.9	27%	0.265	46%	0.463	S	S	.	.	H	α-helix	trans	-59.8	-47.5	175.5	-68	-178.5	-169.2	164.6	0	110.9	L58 A61 D63 E64 A69 V70 T71	L58-K67 HydrophobicContact CD2-CB 3.82Å; L58-K67 HydrophobicContact CD2-CD 4.36Å; L58-K67 HydrophobicContact CD2-CG 3.89Å; A61-K67 HydrophobicContact CB-CG 3.71Å; A61-K67 WeakPolarHBondContact O-CE 3.5Å; D63-K67 PolarHBondContact O-N 2.85Å; D63-K67 VanDerWaalsContact O-N 3.08Å; E64-K67 PolarHBondContact O-N 3.29Å; E64-K67 IonicContact OE1-NZ 2.9Å; E64-K67 PolarHBondContact OE1-NZ 2.68Å; K67-A69 VanDerWaalsContact C-N 3.32Å; K67-A69 PolarHBondContact O-N 3.37Å; K67-V70 WeakPolarHBondContact O-CB 3.3Å; K67-V70 PolarHBondContact O-N 2.92Å; K67-V70 VanDerWaalsContact O-N 3.14Å; K67-T71 PolarHBondContact O-N 3.36Å; K67-T71 PolarHBondContact O-OG1 3.18Å; K67-T71 VanDerWaalsContact O-OG1 3.08Å
68	A	86.4	Confident	86.3	Confident	63 Å²	63	88.8 Å²	88.8	52%	0.521	46%	0.457	S	S	.	.	H	α-helix	trans	-57.7	-44.6	175.7	0	0	0	0	0	111.8	E64 V70 T71 D72	E64-A68 PolarHBondContact O-N 3.31Å; A68-V70 VanDerWaalsContact C-N 3.35Å; A68-V70 PolarHBondContact O-N 3.42Å; A68-T71 PolarHBondContact O-N 3.22Å; A68-D72 WeakPolarHBondContact O-CB 3.39Å; A68-D72 PolarHBondContact O-N 3.46Å
69	A	88	Confident	86.6	Confident	46 Å²	46	87.6 Å²	87.6	38%	0.38	46%	0.458	S	S	.	.	H	α-helix	trans	-65.5	-33.5	176.9	0	0	0	0	0	113.7	D65 R66 K67 R73	D65-A69 WeakPolarHBondContact O-CB 3.42Å; D65-A69 PolarHBondContact O-N 2.7Å; D65-A69 VanDerWaalsContact O-N 3.09Å; R66-A69 PolarHBondContact O-N 3.24Å; K67-A69 VanDerWaalsContact C-N 3.32Å; K67-A69 PolarHBondContact O-N 3.37Å; A69-R73 WeakPolarHBondContact O-CB 3.34Å; A69-R73 PolarHBondContact O-N 3.2Å; A69-R73 VanDerWaalsContact O-N 3.13Å
70	V	87.2	Confident	87	Confident	31 Å²	31	89.9 Å²	89.9	19%	0.188	46%	0.456	C	S	.	.	H	α-helix	trans	-67.5	-49.5	174.7	165.9	0	0	0	0	110.3	L57 R66 K67 A68 D72 R73 L74	L57-V70 HydrophobicContact CB-CG1 3.78Å; L57-V70 HydrophobicContact CD1-CG1 4.15Å; R66-V70 VanDerWaalsContact O-CG2 3.29Å; R66-V70 WeakPolarHBondContact O-CG2 3.34Å; R66-V70 PolarHBondContact O-N 2.92Å; K67-V70 WeakPolarHBondContact O-CB 3.3Å; K67-V70 PolarHBondContact O-N 2.92Å; K67-V70 VanDerWaalsContact O-N 3.14Å; A68-V70 VanDerWaalsContact C-N 3.35Å; A68-V70 PolarHBondContact O-N 3.42Å; V70-D72 VanDerWaalsContact C-N 3.32Å; V70-D72 PolarHBondContact O-N 3.27Å; V70-R73 PolarHBondContact O-N 3.44Å; V70-L74 HydrophobicContact CG1-CD1 3.68Å; V70-L74 HydrophobicContact CG1-CG 4.47Å; V70-L74 WeakPolarHBondContact O-CG 3.21Å; V70-L74 PolarHBondContact O-N 3.26Å
71	T	87.3	Confident	87.3	Confident	46 Å²	46	85 Å²	85	28%	0.282	44%	0.435	S	S	.	.	H	α-helix	trans	-60.6	-41.7	178.4	-51.8	0	0	0	0	111.4	K67 A68 R73 L74 N75	K67-T71 PolarHBondContact O-N 3.36Å; K67-T71 PolarHBondContact O-OG1 3.18Å; K67-T71 VanDerWaalsContact O-OG1 3.08Å; A68-T71 PolarHBondContact O-N 3.22Å; T71-R73 PolarHBondContact O-N 2.92Å; T71-L74 PolarHBondContact O-N 2.82Å; T71-N75 PolarHBondContact O-N 3.38Å; T71-N75 PolarHBondContact O-ND2 3.22Å
72	D	90.6	Very high	88	Confident	108 Å²	108	88.7 Å²	88.7	58%	0.578	45%	0.45	S	S	*	.	H	α-helix	trans	-65	-40.2	178.4	-156	37.5	0	0	0	111.8	A68 V70 N75 L76	A68-D72 WeakPolarHBondContact O-CB 3.39Å; A68-D72 PolarHBondContact O-N 3.46Å; V70-D72 VanDerWaalsContact C-N 3.32Å; V70-D72 PolarHBondContact O-N 3.27Å; D72-N75 PolarHBondContact O-N 3.07Å; D72-L76 PolarHBondContact O-N 2.94Å
73	R	90.1	Very high	88.7	Confident	192 Å²	192	88.6 Å²	88.6	73%	0.725	44%	0.443	S	S	*	.	H	α-helix	trans	-66	-37.9	173	-89.5	172.4	167.3	160.2	-3.5	113.5	A69 V70 T71 L76 L77	A69-R73 WeakPolarHBondContact O-CB 3.34Å; A69-R73 PolarHBondContact O-N 3.2Å; A69-R73 VanDerWaalsContact O-N 3.13Å; V70-R73 PolarHBondContact O-N 3.44Å; T71-R73 PolarHBondContact O-N 2.92Å; R73-L76 WeakPolarHBondContact O-CB 3.26Å; R73-L76 PolarHBondContact O-N 3.3Å; R73-L77 PolarHBondContact O-N 3.29Å
74	L	89.7	Confident	89	Confident	7 Å²	7	89 Å²	89	4%	0.037	44%	0.442	C	S	.	.	H	α-helix	trans	-70.1	-37.6	177.2	-75.7	163.7	0	0	0	111.6	V50 I53 E54 L57 V70 T71 L76 L77 R78	V50-L74 HydrophobicContact CG1-CD2 4.18Å; I53-L74 HydrophobicContact CG2-CD2 4.23Å; E54-L74 HydrophobicContact CB-CD1 3.63Å; E54-L74 HydrophobicContact CG-CD1 3.66Å; L57-L74 HydrophobicContact CD1-CD1 4.46Å; V70-L74 HydrophobicContact CG1-CD1 3.68Å; V70-L74 HydrophobicContact CG1-CG 4.47Å; V70-L74 WeakPolarHBondContact O-CG 3.21Å; V70-L74 PolarHBondContact O-N 3.26Å; T71-L74 PolarHBondContact O-N 2.82Å; L74-L76 VanDerWaalsContact C-N 3.31Å; L74-L76 PolarHBondContact O-N 2.62Å; L74-L77 HydrophobicContact CD2-CD2 4.28Å; L74-L77 CarbonylContact O-C 3.5Å; L74-L77 WeakPolarHBondContact O-CA 3.41Å; L74-L77 WeakPolarHBondContact O-CB 3.27Å; L74-L77 PolarHBondContact O-N 3.31Å; L74-L77 VanDerWaalsContact O-N 3.07Å; L74-R78 WeakPolarHBondContact O-CG 3.22Å; L74-R78 PolarHBondContact O-N 2.87Å
75	N	90.5	Very high	89.2	Confident	76 Å²	76	84 Å²	84	41%	0.406	42%	0.418	S	S	.	.	H	α-helix	trans	-63.4	-39.2	172.2	-72.2	-28.3	0	0	0	111.7	T71 D72 L77 R78 G79	T71-N75 PolarHBondContact O-N 3.38Å; T71-N75 PolarHBondContact O-ND2 3.22Å; D72-N75 PolarHBondContact O-N 3.07Å; N75-L77 VanDerWaalsContact C-N 3.31Å; N75-L77 PolarHBondContact O-N 3.04Å; N75-R78 PolarHBondContact O-N 3.27Å; N75-R78 PolarHBondContact OD1-NH1 3.47Å; N75-R78 VanDerWaalsContact OD1-NH1 3.13Å; N75-G79 PolarHBondContact O-N 3.04Å
76	L	92.2	Very high	89.3	Confident	109 Å²	109	80 Å²	80	57%	0.571	40%	0.397	S	S	*	.	H	α-helix	trans	-62.5	-36.6	170	-83.3	160.8	0	0	0	112.7	D72 R73 L74 K80	D72-L76 PolarHBondContact O-N 2.94Å; R73-L76 WeakPolarHBondContact O-CB 3.26Å; R73-L76 PolarHBondContact O-N 3.3Å; L74-L76 VanDerWaalsContact C-N 3.31Å; L74-L76 PolarHBondContact O-N 2.62Å; L76-K80 WeakPolarHBondContact O-CG 3.14Å; L76-K80 PolarHBondContact O-N 3.11Å
77	L	90.3	Very high	89.6	Confident	70 Å²	70	81.5 Å²	81.5	37%	0.366	40%	0.403	S	S	.	.	H	α-helix	trans	-66.9	-44.5	175.3	-176.4	67.8	0	0	0	111.3	V50 R73 L74 N75 G79 K80 I81	V50-L77 HydrophobicContact CG2-CD2 4.38Å; R73-L77 PolarHBondContact O-N 3.29Å; L74-L77 HydrophobicContact CD2-CD2 4.28Å; L74-L77 CarbonylContact O-C 3.5Å; L74-L77 WeakPolarHBondContact O-CA 3.41Å; L74-L77 WeakPolarHBondContact O-CB 3.27Å; L74-L77 PolarHBondContact O-N 3.31Å; L74-L77 VanDerWaalsContact O-N 3.07Å; N75-L77 VanDerWaalsContact C-N 3.31Å; N75-L77 PolarHBondContact O-N 3.04Å; L77-G79 PolarHBondContact O-N 3.24Å; L77-K80 WeakPolarHBondContact O-CB 3.39Å; L77-K80 PolarHBondContact O-N 3.42Å; L77-I81 HydrophobicContact CG-CD1 4.11Å; L77-I81 WeakPolarHBondContact O-CG1 3.32Å; L77-I81 PolarHBondContact O-N 2.94Å
78	R	92.4	Very high	89.6	Confident	66 Å²	66	81.7 Å²	81.7	25%	0.249	41%	0.412	C	S	.	.	H	α-helix	trans	-55.3	-50.5	174.8	-70.3	175.8	176.2	150.5	0.9	111.1	M47 V50 E54 L74 N75 K80 I81 E82	M47-R78 HydrophobicContact CE-CB 4.5Å; M47-R78 HydrophobicContact CE-CG 4.31Å; M47-R78 HydrophobicContact SD-CB 4.35Å; M47-R78 HydrophobicContact SD-CG 3.89Å; V50-R78 HydrophobicContact CG1-CG 3.87Å; E54-R78 IonicContact OE2-CZ 3.97Å; E54-R78 IonicContact OE2-NH1 3.18Å; E54-R78 IonicContact OE2-NH2 3.24Å; E54-R78 PolarHBondContact OE2-NH2 2.98Å; L74-R78 WeakPolarHBondContact O-CG 3.22Å; L74-R78 PolarHBondContact O-N 2.87Å; N75-R78 PolarHBondContact O-N 3.27Å; N75-R78 PolarHBondContact OD1-NH1 3.47Å; N75-R78 VanDerWaalsContact OD1-NH1 3.13Å; R78-K80 VanDerWaalsContact C-N 3.25Å; R78-K80 PolarHBondContact O-N 2.96Å; R78-I81 PolarHBondContact O-N 2.97Å; R78-E82 PolarHBondContact O-N 2.82Å
79	G	91.6	Very high	89.5	Confident	31 Å²	31	79.5 Å²	79.5	32%	0.32	39%	0.391	S	S	.	.	H	α-helix	trans	-65.2	-24.8	177	0	0	0	0	0	114.2	N75 L77 K83	N75-G79 PolarHBondContact O-N 3.04Å; L77-G79 PolarHBondContact O-N 3.24Å; G79-K83 WeakPolarHBondContact O-CB 3.45Å; G79-K83 WeakPolarHBondContact O-CG 3.26Å; G79-K83 PolarHBondContact O-N 2.8Å
80	K	92.9	Very high	89.2	Confident	143 Å²	143	81.4 Å²	81.4	62%	0.622	39%	0.394	S	S	*	.	H	α-helix	trans	-74.8	-43.2	171.1	-82	-179.5	178.9	-179.8	0	112.2	L76 L77 R78 E82 K83 E84	L76-K80 WeakPolarHBondContact O-CG 3.14Å; L76-K80 PolarHBondContact O-N 3.11Å; L77-K80 WeakPolarHBondContact O-CB 3.39Å; L77-K80 PolarHBondContact O-N 3.42Å; R78-K80 VanDerWaalsContact C-N 3.25Å; R78-K80 PolarHBondContact O-N 2.96Å; K80-E82 VanDerWaalsContact C-N 3.34Å; K80-K83 PolarHBondContact O-N 2.95Å; K80-E84 WeakPolarHBondContact O-CB 3.45Å; K80-E84 PolarHBondContact O-N 3.38Å
81	I	90.6	Very high	89	Confident	44 Å²	44	83.1 Å²	83.1	23%	0.226	41%	0.406	C	S	.	.	H	α-helix	trans	-59.9	-47.5	177.3	-69.5	167.4	0	0	0	109.7	A46 M47 V50 L77 R78 K83 E84 L85	A46-I81 HydrophobicContact CB-CG2 4.01Å; M47-I81 HydrophobicContact CE-CB 4.28Å; M47-I81 HydrophobicContact CE-CD1 4.21Å; M47-I81 HydrophobicContact CE-CG2 3.99Å; V50-I81 HydrophobicContact CG2-CD1 3.54Å; L77-I81 HydrophobicContact CG-CD1 4.11Å; L77-I81 WeakPolarHBondContact O-CG1 3.32Å; L77-I81 PolarHBondContact O-N 2.94Å; R78-I81 PolarHBondContact O-N 2.97Å; I81-K83 PolarHBondContact O-N 2.87Å; I81-E84 PolarHBondContact O-N 3.15Å; I81-L85 VanDerWaalsContact O-CB 3.29Å; I81-L85 WeakPolarHBondContact O-CB 3.44Å; I81-L85 PolarHBondContact O-N 2.82Å
82	E	90.8	Very high	88.6	Confident	91 Å²	91	85.5 Å²	85.5	43%	0.425	42%	0.416	S	S	.	.	H	α-helix	trans	-56.3	-50	176.4	-170.1	-179.2	175	0	0	111.4	F43 R78 K80 E84 L85 D86	F43-E82 HydrophobicContact CE2-CB 4.16Å; F43-E82 HydrophobicContact CE2-CG 4.32Å; R78-E82 PolarHBondContact O-N 2.82Å; K80-E82 VanDerWaalsContact C-N 3.34Å; E82-E84 VanDerWaalsContact C-N 3.33Å; E82-E84 PolarHBondContact O-N 3.29Å; E82-L85 PolarHBondContact O-N 2.72Å; E82-D86 WeakPolarHBondContact O-CB 3.33Å; E82-D86 PolarHBondContact O-N 2.91Å
83	K	91.6	Very high	88	Confident	152 Å²	152	81.9 Å²	81.9	66%	0.661	40%	0.396	S	S	*	.	H	α-helix	trans	-60.9	-38.2	177	-84.3	-178.8	177.1	175.8	0	113.9	G79 K80 I81 R87	G79-K83 WeakPolarHBondContact O-CB 3.45Å; G79-K83 WeakPolarHBondContact O-CG 3.26Å; G79-K83 PolarHBondContact O-N 2.8Å; K80-K83 PolarHBondContact O-N 2.95Å; I81-K83 PolarHBondContact O-N 2.87Å; K83-R87 WeakPolarHBondContact O-CB 3.4Å; K83-R87 WeakPolarHBondContact O-CG 3.19Å; K83-R87 PolarHBondContact O-N 3.43Å
84	E	90.4	Very high	87.3	Confident	110 Å²	110	76.5 Å²	76.5	51%	0.514	38%	0.381	S	S	.	.	H	α-helix	trans	-74.3	-37	-179.6	-159.9	61.9	-154.5	0	0	111.1	K80 I81 E82 R87 S88	K80-E84 WeakPolarHBondContact O-CB 3.45Å; K80-E84 PolarHBondContact O-N 3.38Å; I81-E84 PolarHBondContact O-N 3.15Å; E82-E84 VanDerWaalsContact C-N 3.33Å; E82-E84 PolarHBondContact O-N 3.29Å; E84-R87 PolarHBondContact O-N 3.1Å; E84-S88 WeakPolarHBondContact O-CB 3.25Å; E84-S88 PolarHBondContact O-N 2.81Å; E84-S88 PolarHBondContact O-OG 2.82Å
85	L	88.3	Confident	86.7	Confident	23 Å²	23	80.2 Å²	80.2	12%	0.12	40%	0.401	C	S	.	.	H	α-helix	trans	-63.1	-47	173.8	-165.9	70.7	0	0	0	110.4	Y39 T42 F43 I81 E82 R87 S88 I89	Y39-L85 HydrophobicContact CD1-CD2 4.27Å; Y39-L85 HydrophobicContact CD2-CD2 3.66Å; Y39-L85 HydrophobicContact CD2-CG 3.85Å; Y39-L85 HydrophobicContact CE1-CD2 4.08Å; Y39-L85 HydrophobicContact CE2-CB 4.2Å; Y39-L85 HydrophobicContact CE2-CD2 3.45Å; Y39-L85 VanDerWaalsContact CE2-CD2 3.45Å; Y39-L85 HydrophobicContact CE2-CG 3.66Å; Y39-L85 HydrophobicContact CG-CD2 4.06Å; T42-L85 HydrophobicContact CG2-CD1 3.75Å; F43-L85 HydrophobicContact CB-CD2 3.85Å; F43-L85 HydrophobicContact CD2-CD2 4.07Å; F43-L85 HydrophobicContact CG-CD2 4.46Å; I81-L85 VanDerWaalsContact O-CB 3.29Å; I81-L85 WeakPolarHBondContact O-CB 3.44Å; I81-L85 PolarHBondContact O-N 2.82Å; E82-L85 PolarHBondContact O-N 2.72Å; L85-R87 PolarHBondContact O-N 2.93Å; L85-S88 PolarHBondContact O-N 2.9Å; L85-I89 HydrophobicContact CD1-CD1 3.64Å; L85-I89 HydrophobicContact CD1-CG1 4.27Å; L85-I89 HydrophobicContact CD2-CD1 4.48Å; L85-I89 HydrophobicContact CG-CD1 3.82Å; L85-I89 HydrophobicContact CG-CG1 4.42Å; L85-I89 WeakPolarHBondContact O-CB 3.47Å; L85-I89 PolarHBondContact O-N 2.93Å
86	D	87.4	Confident	85.8	Confident	56 Å²	56	77.8 Å²	77.8	30%	0.299	39%	0.39	S	S	.	.	H	α-helix	trans	-58.8	-47.4	174.2	-74.7	-7	0	0	0	111.6	Y39 E82 S88 I90	Y39-D86 WeakPolarHBondContact CE2-OD1 3.28Å; Y39-D86 PolarHBondContact OH-OD1 3.37Å; E82-D86 WeakPolarHBondContact O-CB 3.33Å; E82-D86 PolarHBondContact O-N 2.91Å; D86-S88 PolarHBondContact O-N 2.9Å; D86-I90 HydrophobicContact CB-CD1 4.12Å; D86-I90 VanDerWaalsContact O-CB 3.31Å; D86-I90 WeakPolarHBondContact O-CB 3.43Å; D86-I90 WeakPolarHBondContact O-CD1 3.48Å; D86-I90 WeakPolarHBondContact O-CG1 3.38Å; D86-I90 PolarHBondContact O-N 2.98Å
87	R	88.8	Confident	84.7	Confident	186 Å²	186	74 Å²	74	70%	0.702	37%	0.37	S	S	*	.	H	α-helix	trans	-59.1	-32.3	177.6	-90.7	-177.8	169.9	-176.1	-3.2	113.2	K83 E84 L85 P91	K83-R87 WeakPolarHBondContact O-CB 3.4Å; K83-R87 WeakPolarHBondContact O-CG 3.19Å; K83-R87 PolarHBondContact O-N 3.43Å; E84-R87 PolarHBondContact O-N 3.1Å; L85-R87 PolarHBondContact O-N 2.93Å; R87-P91 WeakPolarHBondContact O-CD 3.32Å; R87-P91 WeakPolarHBondContact O-CG 3.43Å
88	S	84.2	Confident	83.5	Confident	65 Å²	65	75.4 Å²	75.4	46%	0.455	37%	0.373	S	S	.	.	H	α-helix	trans	-87.7	-45.1	-176.5	-54.3	0	0	0	0	111.9	E84 L85 D86 P91 L92	E84-S88 WeakPolarHBondContact O-CB 3.25Å; E84-S88 PolarHBondContact O-N 2.81Å; E84-S88 PolarHBondContact O-OG 2.82Å; L85-S88 PolarHBondContact O-N 2.9Å; D86-S88 PolarHBondContact O-N 2.9Å; S88-P91 WeakPolarHBondContact O-CD 3.34Å; S88-L92 WeakPolarHBondContact O-CB 3.44Å; S88-L92 PolarHBondContact O-N 2.91Å
89	I	85.4	Confident	82.5	Confident	18 Å²	18	79.6 Å²	79.6	9%	0.092	39%	0.393	C	S	.	.	H	α-helix	trans	-79.1	-37.1	-172.5	-70.4	-173.3	0	0	0	111.7	M35 Y39 L85 L92 Q93	M35-I89 HydrophobicContact CE-CG2 3.93Å; Y39-I89 HydrophobicContact CD2-CB 4.29Å; Y39-I89 HydrophobicContact CD2-CD1 3.7Å; Y39-I89 HydrophobicContact CD2-CG1 4.5Å; Y39-I89 HydrophobicContact CD2-CG2 4.21Å; Y39-I89 HydrophobicContact CG-CD1 4.25Å; L85-I89 HydrophobicContact CD1-CD1 3.64Å; L85-I89 HydrophobicContact CD1-CG1 4.27Å; L85-I89 HydrophobicContact CD2-CD1 4.48Å; L85-I89 HydrophobicContact CG-CD1 3.82Å; L85-I89 HydrophobicContact CG-CG1 4.42Å; L85-I89 WeakPolarHBondContact O-CB 3.47Å; L85-I89 PolarHBondContact O-N 2.93Å; I89-L92 CarbonylContact O-C 3.57Å; I89-L92 PolarHBondContact O-N 2.96Å; I89-L92 VanDerWaalsContact O-N 3.15Å; I89-Q93 VanDerWaalsContact O-CB 3.28Å; I89-Q93 WeakPolarHBondContact O-CB 3.24Å; I89-Q93 PolarHBondContact O-N 2.88Å
90	I	81.6	Confident	81.4	Confident	86 Å²	86	84.4 Å²	84.4	44%	0.441	41%	0.411	S	S	.	.	H	α-helix	trans	-60.3	-47.7	-179.5	-66.1	167	0	0	0	111.7	D86 L92 Q93 N94	D86-I90 HydrophobicContact CB-CD1 4.12Å; D86-I90 VanDerWaalsContact O-CB 3.31Å; D86-I90 WeakPolarHBondContact O-CB 3.43Å; D86-I90 WeakPolarHBondContact O-CD1 3.48Å; D86-I90 WeakPolarHBondContact O-CG1 3.38Å; D86-I90 PolarHBondContact O-N 2.98Å; I90-L92 VanDerWaalsContact C-N 3.34Å; I90-L92 PolarHBondContact O-N 3.09Å; I90-Q93 PolarHBondContact O-N 2.95Å; I90-N94 WeakPolarHBondContact O-CB 3.31Å; I90-N94 PolarHBondContact O-N 3.37Å; I90-N94 PolarHBondContact O-ND2 3.08Å
91	P	82	Confident	80.1	Confident	67 Å²	67	78.8 Å²	78.8	44%	0.435	39%	0.387	S	S	.	.	H	α-helix	trans	-63.9	-38.2	173.8	-22.2	34.1	0	0	0	112.9	R87 S88 N94 L95	R87-P91 WeakPolarHBondContact O-CD 3.32Å; R87-P91 WeakPolarHBondContact O-CG 3.43Å; S88-P91 WeakPolarHBondContact O-CD 3.34Å; P91-N94 PolarHBondContact O-N 2.85Å; P91-L95 WeakPolarHBondContact O-CB 3.35Å; P91-L95 PolarHBondContact O-N 2.86Å
92	L	79.1	Confident	78.8	Confident	95 Å²	95	81 Å²	81	50%	0.497	39%	0.392	S	S	.	.	H	α-helix	trans	-66.4	-41.8	179.3	-164.6	78.4	0	0	0	111.6	M35 S88 I89 I90 L95 S96	M35-L92 HydrophobicContact CE-CD2 4.17Å; S88-L92 WeakPolarHBondContact O-CB 3.44Å; S88-L92 PolarHBondContact O-N 2.91Å; I89-L92 CarbonylContact O-C 3.57Å; I89-L92 PolarHBondContact O-N 2.96Å; I89-L92 VanDerWaalsContact O-N 3.15Å; I90-L92 VanDerWaalsContact C-N 3.34Å; I90-L92 PolarHBondContact O-N 3.09Å; L92-L95 PolarHBondContact O-N 2.81Å; L92-S96 VanDerWaalsContact O-CB 3.26Å; L92-S96 WeakPolarHBondContact O-CB 3.45Å; L92-S96 PolarHBondContact O-N 2.93Å; L92-S96 PolarHBondContact O-OG 2.83Å
93	Q	78.7	Confident	77.5	Confident	32 Å²	32	79.8 Å²	79.8	15%	0.15	39%	0.388	C	S	.	.	H	α-helix	trans	-58.6	-51.7	172.8	-179.3	177.9	51	0	0	109.2	M35 I89 I90 L95 S96 L97	M35-Q93 HydrophobicContact CB-CB 4.48Å; M35-Q93 HydrophobicContact CB-CG 4.14Å; M35-Q93 HydrophobicContact CE-CB 4.1Å; M35-Q93 HydrophobicContact CG-CB 4.26Å; M35-Q93 HydrophobicContact CG-CG 4.06Å; I89-Q93 VanDerWaalsContact O-CB 3.28Å; I89-Q93 WeakPolarHBondContact O-CB 3.24Å; I89-Q93 PolarHBondContact O-N 2.88Å; I90-Q93 PolarHBondContact O-N 2.95Å; Q93-L95 VanDerWaalsContact C-N 3.34Å; Q93-L95 PolarHBondContact O-N 3.24Å; Q93-S96 PolarHBondContact O-N 3.49Å; Q93-L97 HydrophobicContact CG-CD1 3.86Å; Q93-L97 HydrophobicContact CG-CG 4.39Å; Q93-L97 VanDerWaalsContact O-CB 3.27Å; Q93-L97 WeakPolarHBondContact O-CB 3.46Å; Q93-L97 WeakPolarHBondContact O-CG 3.27Å; Q93-L97 PolarHBondContact O-N 3.12Å
94	N	74.6	Confident	75.9	Confident	79 Å²	79	78.3 Å²	78.3	42%	0.422	38%	0.378	S	S	.	.	H	α-helix	trans	-60.1	-40.3	177.6	-75.8	-32	0	0	0	113.1	I90 P91 K98	I90-N94 WeakPolarHBondContact O-CB 3.31Å; I90-N94 PolarHBondContact O-N 3.37Å; I90-N94 PolarHBondContact O-ND2 3.08Å; P91-N94 PolarHBondContact O-N 2.85Å; N94-K98 VanDerWaalsContact O-CB 3.23Å; N94-K98 WeakPolarHBondContact O-CB 3.34Å; N94-K98 WeakPolarHBondContact O-CG 3.46Å; N94-K98 PolarHBondContact O-N 3.12Å
95	L	76.6	Confident	74.3	Confident	85 Å²	85	75.5 Å²	75.5	45%	0.445	37%	0.371	S	S	.	.	H	α-helix	trans	-67.7	-43.7	176.2	-97.4	160.5	0	0	0	112.4	P91 L92 Q93 K98 K99	P91-L95 WeakPolarHBondContact O-CB 3.35Å; P91-L95 PolarHBondContact O-N 2.86Å; L92-L95 PolarHBondContact O-N 2.81Å; Q93-L95 VanDerWaalsContact C-N 3.34Å; Q93-L95 PolarHBondContact O-N 3.24Å; L95-K98 PolarHBondContact O-N 3.25Å; L95-K99 HydrophobicContact CD2-CD 3.74Å; L95-K99 HydrophobicContact CD2-CG 4.24Å; L95-K99 WeakPolarHBondContact O-CB 3.49Å; L95-K99 PolarHBondContact O-N 3.37Å
96	S	72.1	Confident	72.8	Confident	25 Å²	25	79.1 Å²	79.1	18%	0.175	38%	0.384	C	S	.	.	H	α-helix	trans	-64.8	-44.7	179.5	-57.6	0	0	0	0	110.6	L92 Q93 K98 L100 F101	L92-S96 VanDerWaalsContact O-CB 3.26Å; L92-S96 WeakPolarHBondContact O-CB 3.45Å; L92-S96 PolarHBondContact O-N 2.93Å; L92-S96 PolarHBondContact O-OG 2.83Å; Q93-S96 PolarHBondContact O-N 3.49Å; S96-K98 VanDerWaalsContact C-N 3.34Å; S96-K98 PolarHBondContact O-N 2.73Å; S96-L100 WeakPolarHBondContact O-CA 3.47Å; S96-L100 WeakPolarHBondContact O-CB 3.48Å; S96-L100 PolarHBondContact O-N 3.32Å; S96-F101 PolarHBondContact O-N 3.15Å
97	L	68.8	Low	71.5	Confident	29 Å²	29	80.1 Å²	80.1	15%	0.152	39%	0.392	C	S	.	.	H	α-helix	trans	-62.6	-38.2	174.8	-70.4	178.9	0	0	0	112.2	Y22 P31 Q93	Y22-L97 HydrophobicContact CD2-CD2 4.18Å; Y22-L97 HydrophobicContact CE1-CD2 4.14Å; Y22-L97 HydrophobicContact CE2-CD2 3.58Å; Y22-L97 VanDerWaalsContact OH-CB 3.31Å; Y22-L97 WeakPolarHBondContact OH-CB 3.36Å; Y22-L97 PolarHBondContact OH-O 3.36Å; P31-L97 HydrophobicContact CB-CD2 3.63Å; Q93-L97 HydrophobicContact CG-CD1 3.86Å; Q93-L97 HydrophobicContact CG-CG 4.39Å; Q93-L97 VanDerWaalsContact O-CB 3.27Å; Q93-L97 WeakPolarHBondContact O-CB 3.46Å; Q93-L97 WeakPolarHBondContact O-CG 3.27Å; Q93-L97 PolarHBondContact O-N 3.12Å
98	K	66.3	Low	70	Confident	101 Å²	101	73 Å²	73	44%	0.439	37%	0.37	S	S	.	.	H	α-helix	trans	-79.9	-34.9	-179.8	-78.3	178.7	177.6	-176.6	0	114.9	L17 N94 L95 S96 R102	L17-K98 VanDerWaalsContact CD2-CE 3.48Å; L17-K98 HydrophobicContact CD2-CG 4.23Å; N94-K98 VanDerWaalsContact O-CB 3.23Å; N94-K98 WeakPolarHBondContact O-CB 3.34Å; N94-K98 WeakPolarHBondContact O-CG 3.46Å; N94-K98 PolarHBondContact O-N 3.12Å; L95-K98 PolarHBondContact O-N 3.25Å; S96-K98 VanDerWaalsContact C-N 3.34Å; S96-K98 PolarHBondContact O-N 2.73Å; K98-R102 WeakPolarHBondContact O-CB 3.35Å; K98-R102 VanDerWaalsContact O-CD 3.29Å; K98-R102 WeakPolarHBondContact O-CD 3.37Å
99	K	70	Confident	68.8	Low	153 Å²	153	71.5 Å²	71.5	67%	0.665	36%	0.357	S	S	*	.	H	α-helix	trans	-111.7	-36.8	-170.8	-67.5	-168.5	177.3	-176.2	0	114	L95	L95-K99 HydrophobicContact CD2-CD 3.74Å; L95-K99 HydrophobicContact CD2-CG 4.24Å; L95-K99 WeakPolarHBondContact O-CB 3.49Å; L95-K99 PolarHBondContact O-N 3.37Å
100	L	68.6	Low	67.6	Low	133 Å²	133	74.6 Å²	74.6	70%	0.696	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-48.6	-172.7	-153.7	90	0	0	0	111.6	S96	S96-L100 WeakPolarHBondContact O-CA 3.47Å; S96-L100 WeakPolarHBondContact O-CB 3.48Å; S96-L100 PolarHBondContact O-N 3.32Å
101	F	67.1	Low	66.3	Low	25 Å²	25	75.8 Å²	75.8	11%	0.11	38%	0.382	C	S	.	.	S	Bend	trans	-96.7	1.7	-175.9	-62.4	-71.9	0	0	0	113.8	Y22 F27 P31 L34 S96 I103	Y22-F101 HydrophobicContact CD1-CB 3.62Å; Y22-F101 WeakPolarHBondContact CD1-O 3.16Å; Y22-F101 HydrophobicContact CE1-CB 3.5Å; Y22-F101 WeakPolarHBondContact CE1-O 3.47Å; F27-F101 HydrophobicContact CE1-CE1 4.41Å; F27-F101 AromaticContact CE2-CD1 3.97Å; F27-F101 HydrophobicContact CE2-CD1 3.97Å; F27-F101 HydrophobicContact CE2-CE1 4.16Å; F27-F101 HydrophobicContact CZ-CD1 4.14Å; F27-F101 HydrophobicContact CZ-CE1 4.08Å; P31-F101 HydrophobicContact CB-CD1 4.3Å; P31-F101 HydrophobicContact CB-CD2 3.7Å; P31-F101 HydrophobicContact CB-CE1 4.45Å; P31-F101 HydrophobicContact CB-CE2 3.87Å; P31-F101 HydrophobicContact CB-CG 3.93Å; P31-F101 HydrophobicContact CB-CZ 4.24Å; P31-F101 HydrophobicContact CG-CB 4.21Å; P31-F101 HydrophobicContact CG-CD1 3.84Å; P31-F101 HydrophobicContact CG-CD2 4.11Å; P31-F101 HydrophobicContact CG-CE1 4.19Å; P31-F101 HydrophobicContact CG-CE2 4.44Å; P31-F101 HydrophobicContact CG-CG 3.8Å; P31-F101 HydrophobicContact CG-CZ 4.47Å; L34-F101 HydrophobicContact CD2-CZ 4.13Å; S96-F101 PolarHBondContact O-N 3.15Å; F101-I103 PolarHBondContact O-N 3.22Å
102	R	62.7	Low	65	Low	90 Å²	90	75.6 Å²	75.6	34%	0.34	38%	0.377	S	S	.	.			trans	-76.3	113.7	-179.6	-175.9	177.9	178.1	-168	-6.2	110.7	Y20 K98	Y20-R102 PolarHBondContact OH-NE 2.93Å; K98-R102 WeakPolarHBondContact O-CB 3.35Å; K98-R102 VanDerWaalsContact O-CD 3.29Å; K98-R102 WeakPolarHBondContact O-CD 3.37Å
103	I	62.3	Low	63.8	Low	66 Å²	66	76.8 Å²	76.8	34%	0.338	38%	0.38	S	S	.	.			trans	-80	131.7	168.6	-52.9	171.6	0	0	0	108.2	F101 V107 L109	F101-I103 PolarHBondContact O-N 3.22Å; I103-V107 HydrophobicContact CG2-CB 4.42Å; I103-L109 HydrophobicContact CD1-CD1 4.37Å; I103-L109 HydrophobicContact CD1-CD2 4.2Å
104	R	59.5	Low	62.6	Low	120 Å²	120	80.6 Å²	80.6	45%	0.453	41%	0.406	S	S	.	.			trans	-72.1	140	177.8	-61.8	-171.4	-168.1	-172.2	3.1	109.4	Y106 V107	R104-Y106 HydrophobicContact CB-CD1 4.24Å; R104-Y106 HydrophobicContact CB-CE1 3.92Å; R104-Y106 HydrophobicContact CB-CE2 4.47Å; R104-Y106 VanDerWaalsContact CD-CZ 3.48Å; R104-Y106 WeakPolarHBondContact CD-OH 3.18Å; R104-Y106 HydrophobicContact CG-CE1 4.48Å; R104-Y106 PolarHBondContact NH1-OH 2.96Å; R104-Y106 PolarHBondContact O-N 3.38Å; R104-Y106 VanDerWaalsContact O-N 3.09Å; R104-V107 HydrophobicContact CB-CG2 4.03Å; R104-V107 PolarHBondContact O-N 2.88Å
105	S	57.1	Low	61.4	Low	51 Å²	51	84.3 Å²	84.3	36%	0.357	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-17	-171	44.7	0	0	0	0	115.4
106	Y	56.5	Low	60.2	Low	100 Å²	100	83.2 Å²	83.2	39%	0.392	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-2.9	175.2	59.3	-99.1	0	0	0	113.8	E4 R104 S108	E4-Y106 WeakPolarHBondContact OE1-CE1 3.5Å; R104-Y106 HydrophobicContact CB-CD1 4.24Å; R104-Y106 HydrophobicContact CB-CE1 3.92Å; R104-Y106 HydrophobicContact CB-CE2 4.47Å; R104-Y106 VanDerWaalsContact CD-CZ 3.48Å; R104-Y106 WeakPolarHBondContact CD-OH 3.18Å; R104-Y106 HydrophobicContact CG-CE1 4.48Å; R104-Y106 PolarHBondContact NH1-OH 2.96Å; R104-Y106 PolarHBondContact O-N 3.38Å; R104-Y106 VanDerWaalsContact O-N 3.09Å; Y106-S108 PolarHBondContact O-N 3.26Å
107	V	59.7	Low	59.2	Low	77 Å²	77	86.6 Å²	86.6	47%	0.467	44%	0.439	S	S	.	.			trans	-88.5	106.2	175.2	177	0	0	0	0	107.1	I103 R104	I103-V107 HydrophobicContact CG2-CB 4.42Å; R104-V107 HydrophobicContact CB-CG2 4.03Å; R104-V107 PolarHBondContact O-N 2.88Å
108	S	58.1	Low	58.4	Low	35 Å²	35	89.7 Å²	89.7	25%	0.245	46%	0.46	C	S	.	.			trans	-68.8	130.6	167.5	43.4	0	0	0	0	109.4	Y106 E113	Y106-S108 PolarHBondContact O-N 3.26Å; S108-E113 VanDerWaalsContact OG-CG 3.29Å; S108-E113 WeakPolarHBondContact OG-CG 3.37Å
109	L	59.1	Low	57.7	Low	34 Å²	34	93.3 Å²	93.3	18%	0.178	48%	0.476	C	S	.	.			trans	-67.5	152.5	169.1	-70	168.1	0	0	0	109.2	I103 E111 D112 E113	I103-L109 HydrophobicContact CD1-CD1 4.37Å; I103-L109 HydrophobicContact CD1-CD2 4.2Å; L109-E111 PolarHBondContact O-N 3.47Å; L109-E111 VanDerWaalsContact O-N 3.08Å; L109-D112 HydrophobicContact CB-CB 4.5Å; L109-D112 CarbonylContact O-C 3.6Å; L109-D112 PolarHBondContact O-N 2.96Å; L109-E113 PolarHBondContact O-N 3.47Å
110	P	59.1	Low	56.9	Low	84 Å²	84	87.5 Å²	87.5	55%	0.545	46%	0.46	S	S	.	.	H	α-helix	trans	-54.8	-29.8	178.4	-25	33.4	0	0	0	113.3
111	E	54.3	Low	56.3	Low	111 Å²	111	86 Å²	86	52%	0.519	46%	0.458	S	S	.	.	H	α-helix	trans	-72.6	-39.7	177.3	-45	-163.3	-162.3	0	0	111.7	L109 V114	L109-E111 PolarHBondContact O-N 3.47Å; L109-E111 VanDerWaalsContact O-N 3.08Å; E111-V114 WeakPolarHBondContact O-CB 3.44Å; E111-V114 PolarHBondContact O-N 2.91Å
112	D	54.6	Low	55.9	Low	63 Å²	63	89.4 Å²	89.4	34%	0.337	48%	0.477	S	S	.	.	H	α-helix	trans	-75.9	-29.5	177	-67.1	-30	0	0	0	112.4	L109 V114 Q115 N116	L109-D112 HydrophobicContact CB-CB 4.5Å; L109-D112 CarbonylContact O-C 3.6Å; L109-D112 PolarHBondContact O-N 2.96Å; D112-V114 PolarHBondContact O-N 3.48Å; D112-Q115 PolarHBondContact O-N 3.23Å; D112-N116 WeakPolarHBondContact O-CB 3.12Å; D112-N116 PolarHBondContact O-N 3.49Å; D112-N116 PolarHBondContact O-ND2 2.82Å
113	E	53.6	Low	56	Low	119 Å²	119	88.2 Å²	88.2	56%	0.556	48%	0.479	S	S	*	.	H	α-helix	trans	-57.2	-35.3	172.2	-84.6	-166.7	154.9	0	0	111.3	S108 L109 Q115 S117	S108-E113 VanDerWaalsContact OG-CG 3.29Å; S108-E113 WeakPolarHBondContact OG-CG 3.37Å; L109-E113 PolarHBondContact O-N 3.47Å; E113-Q115 VanDerWaalsContact C-N 3.34Å; E113-S117 PolarHBondContact O-N 3.17Å
114	V	53.4	Low	55.9	Low	113 Å²	113	90 Å²	90	69%	0.685	49%	0.486	S	S	*	.	H	α-helix	trans	-66.6	-36.5	176.4	-177.8	0	0	0	0	111.2	E111 D112	E111-V114 WeakPolarHBondContact O-CB 3.44Å; E111-V114 PolarHBondContact O-N 2.91Å; D112-V114 PolarHBondContact O-N 3.48Å
115	Q	51.1	Low	56.4	Low	156 Å²	156	88.7 Å²	88.7	73%	0.729	49%	0.492	S	S	*	.	H	α-helix	trans	-81.6	-31.6	178.1	-65.8	-165.7	10.6	0	0	113.2	D112 E113 S117 P118	D112-Q115 PolarHBondContact O-N 3.23Å; E113-Q115 VanDerWaalsContact C-N 3.34Å; Q115-S117 VanDerWaalsContact C-N 3.3Å; Q115-S117 PolarHBondContact O-N 2.97Å; Q115-P118 WeakPolarHBondContact O-CD 2.92Å
116	N	49.6	Very low	57	Low	62 Å²	62	91.2 Å²	91.2	33%	0.332	50%	0.497	S	S	.	.	S	Bend	trans	-85.6	3.2	-177.3	-72.4	-38	0	0	0	113.9	D112 P118 F119 G120	D112-N116 WeakPolarHBondContact O-CB 3.12Å; D112-N116 PolarHBondContact O-N 3.49Å; D112-N116 PolarHBondContact O-ND2 2.82Å; N116-P118 WeakPolarHBondContact O-CD 3.33Å; N116-P118 VanDerWaalsContact O-N 3.07Å; N116-F119 PolarHBondContact O-N 3.36Å; N116-G120 PolarHBondContact O-N 3.15Å
117	S	51.3	Low	57.5	Low	97 Å²	97	88.4 Å²	88.4	68%	0.678	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-30.1	-178.7	82.2	0	0	0	0	115.4	E113 Q115	E113-S117 PolarHBondContact O-N 3.17Å; Q115-S117 VanDerWaalsContact C-N 3.3Å; Q115-S117 PolarHBondContact O-N 2.97Å
118	P	53.4	Low	57.9	Low	93 Å²	93	88 Å²	88	60%	0.604	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-24	175.1	-11.4	27	0	0	0	113.9	Q115 N116	Q115-P118 WeakPolarHBondContact O-CD 2.92Å; N116-P118 WeakPolarHBondContact O-CD 3.33Å; N116-P118 VanDerWaalsContact O-N 3.07Å
119	F	50.9	Low	58.7	Low	178 Å²	178	93.5 Å²	93.5	78%	0.781	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	-8.6	-168.8	-64.4	-71.9	0	0	0	114.1	N116	N116-F119 PolarHBondContact O-N 3.36Å
120	G	53.2	Low	59.2	Low	31 Å²	31	94.6 Å²	94.6	32%	0.32	52%	0.517	S	S	.	.			trans	68.1	173.5	-177.2	0	0	0	0	0	112.6	N116 I122	N116-G120 PolarHBondContact O-N 3.15Å; G120-I122 PolarHBondContact O-N 3.4Å
121	P	56.1	Low	59.6	Low	101 Å²	101	91.2 Å²	91.2	66%	0.656	50%	0.495	S	S	*	.	S	Bend	trans	-63.9	125.7	174.2	25.3	-31.2	0	0	0	109.4	T123	P121-T123 PolarHBondContact O-N 3.23Å; P121-T123 VanDerWaalsContact O-N 3.1Å
122	I	58.2	Low	60.6	Low	97 Å²	97	92.7 Å²	92.7	50%	0.497	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-53.5	118.5	178	-63.3	168.6	0	0	0	108.6	G120 E126 H127	G120-I122 PolarHBondContact O-N 3.4Å; I122-E126 HydrophobicContact CG2-CB 4.01Å; I122-H127 HydrophobicContact CG2-CB 4.31Å
123	T	65.7	Low	61.6	Low	65 Å²	65	96.5 Å²	96.5	40%	0.399	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-68.6	148.5	178.7	57.7	0	0	0	0	110.2	P121 T125 E126 H127	P121-T123 PolarHBondContact O-N 3.23Å; P121-T123 VanDerWaalsContact O-N 3.1Å; T123-T125 PolarHBondContact O-N 2.89Å; T123-T125 PolarHBondContact OG1-OG1 2.95Å; T123-E126 PolarHBondContact N-OE2 3.47Å; T123-E126 PolarHBondContact O-N 3.32Å; T123-E126 VanDerWaalsContact OG1-CG 3.24Å; T123-E126 WeakPolarHBondContact OG1-CG 3.41Å; T123-E126 PolarHBondContact OG1-N 2.89Å; T123-E126 PolarHBondContact OG1-OE2 3.1Å; T123-H127 PolarHBondContact O-N 3.08Å
124	H	60.2	Low	62.4	Low	103 Å²	103	92.8 Å²	92.8	48%	0.477	51%	0.505	S	S	.	.	H	α-helix	trans	-52.4	-34.2	176.7	-177.7	-94.4	0	0	0	112.2	H127 L128	H124-H127 PolarHBondContact O-N 2.73Å; H124-L128 WeakPolarHBondContact O-CG 3.38Å; H124-L128 PolarHBondContact O-N 3.12Å; H124-L128 VanDerWaalsContact O-N 3.1Å
125	T	69.8	Low	63.3	Low	93 Å²	93	91.6 Å²	91.6	57%	0.571	49%	0.49	S	S	*	.	H	α-helix	trans	-67.3	-39	174.9	36	0	0	0	0	114.1	T123 L128 K129	T123-T125 PolarHBondContact O-N 2.89Å; T123-T125 PolarHBondContact OG1-OG1 2.95Å; T125-L128 PolarHBondContact O-N 3.44Å; T125-K129 PolarHBondContact O-N 2.84Å; T125-K129 VanDerWaalsContact O-N 3.16Å
126	E	68.3	Low	64.5	Low	103 Å²	103	90.8 Å²	90.8	48%	0.481	49%	0.486	S	S	.	.	H	α-helix	trans	-68.5	-38.4	174.7	-75.1	164.1	152.1	0	0	111.4	I122 T123 L128 K129 A130	I122-E126 HydrophobicContact CG2-CB 4.01Å; T123-E126 PolarHBondContact N-OE2 3.47Å; T123-E126 PolarHBondContact O-N 3.32Å; T123-E126 VanDerWaalsContact OG1-CG 3.24Å; T123-E126 WeakPolarHBondContact OG1-CG 3.41Å; T123-E126 PolarHBondContact OG1-N 2.89Å; T123-E126 PolarHBondContact OG1-OE2 3.1Å; E126-L128 VanDerWaalsContact C-N 3.35Å; E126-L128 PolarHBondContact O-N 3.31Å; E126-K129 PolarHBondContact O-N 2.8Å; E126-A130 WeakPolarHBondContact O-CB 3.5Å; E126-A130 PolarHBondContact O-N 2.66Å
127	H	66.9	Low	65.8	Low	42 Å²	42	91.8 Å²	91.8	19%	0.194	49%	0.492	C	S	.	.	H	α-helix	trans	-59.5	-44.6	174.2	-170.7	74.2	0	0	0	112	R16 I122 T123 H124 A130 C131	R16-H127 PolarHBondContact NH1-NE2 3.44Å; I122-H127 HydrophobicContact CG2-CB 4.31Å; T123-H127 PolarHBondContact O-N 3.08Å; H124-H127 PolarHBondContact O-N 2.73Å; H127-A130 PolarHBondContact O-N 2.74Å; H127-C131 PolarHBondContact O-N 3.42Å; H127-C131 PolarHBondContact O-SG 3.41Å
128	L	69.3	Low	66.8	Low	67 Å²	67	90.6 Å²	90.6	35%	0.351	48%	0.475	S	S	.	.	H	α-helix	trans	-62.1	-43.8	176.5	-74.5	171.7	0	0	0	112.3	C7 H124 T125 E126 A130 C131 E132	C7-L128 HydrophobicContact CB-CD2 4.27Å; H124-L128 WeakPolarHBondContact O-CG 3.38Å; H124-L128 PolarHBondContact O-N 3.12Å; H124-L128 VanDerWaalsContact O-N 3.1Å; T125-L128 PolarHBondContact O-N 3.44Å; E126-L128 VanDerWaalsContact C-N 3.35Å; E126-L128 PolarHBondContact O-N 3.31Å; L128-A130 VanDerWaalsContact C-N 3.34Å; L128-A130 PolarHBondContact O-N 3.42Å; L128-C131 WeakPolarHBondContact O-CB 3.24Å; L128-C131 PolarHBondContact O-N 3.08Å; L128-C131 VanDerWaalsContact O-N 3.14Å; L128-E132 PolarHBondContact O-N 3.43Å
129	K	74.3	Confident	67.8	Low	151 Å²	151	93.9 Å²	93.9	66%	0.657	48%	0.48	S	S	*	.	H	α-helix	trans	-62.1	-40.5	175.2	-75.5	-178.6	179.5	177.2	0	112.3	T125 E126 C131 E132 K133	T125-K129 PolarHBondContact O-N 2.84Å; T125-K129 VanDerWaalsContact O-N 3.16Å; E126-K129 PolarHBondContact O-N 2.8Å; K129-C131 VanDerWaalsContact C-N 3.28Å; K129-C131 PolarHBondContact O-N 2.8Å; K129-E132 PolarHBondContact O-N 2.96Å; K129-K133 WeakPolarHBondContact O-CB 3.45Å; K129-K133 PolarHBondContact O-N 3.25Å
130	A	69.2	Low	69.1	Low	58 Å²	58	91.1 Å²	91.1	48%	0.479	47%	0.471	S	S	.	.	H	α-helix	trans	-62.7	-37.8	175	0	0	0	0	0	111.4	E126 H127 L128 K133 A134	E126-A130 WeakPolarHBondContact O-CB 3.5Å; E126-A130 PolarHBondContact O-N 2.66Å; H127-A130 PolarHBondContact O-N 2.74Å; L128-A130 VanDerWaalsContact C-N 3.34Å; L128-A130 PolarHBondContact O-N 3.42Å; A130-K133 PolarHBondContact O-N 2.88Å; A130-A134 WeakPolarHBondContact O-CB 3.32Å; A130-A134 PolarHBondContact O-N 3.39Å
131	C	67.2	Low	69.9	Low	13 Å²	13	95.8 Å²	95.8	9%	0.088	48%	0.483	C	S	.	.	H	α-helix	trans	-67.8	-39.8	176.4	-68.1	0	0	0	0	113	C8 H127 L128 K129 A134 K135	C8-C131 VanDerWaalsContact SG-SG 3.67Å; H127-C131 PolarHBondContact O-N 3.42Å; H127-C131 PolarHBondContact O-SG 3.41Å; L128-C131 WeakPolarHBondContact O-CB 3.24Å; L128-C131 PolarHBondContact O-N 3.08Å; L128-C131 VanDerWaalsContact O-N 3.14Å; K129-C131 VanDerWaalsContact C-N 3.28Å; K129-C131 PolarHBondContact O-N 2.8Å; C131-A134 PolarHBondContact O-N 3.13Å; C131-K135 PolarHBondContact O-N 3.36Å; C131-K135 VanDerWaalsContact O-N 3.09Å
132	E	75.5	Confident	70.5	Confident	141 Å²	141	94.4 Å²	94.4	66%	0.659	48%	0.476	S	S	*	.	H	α-helix	trans	-62.4	-44.7	173	-75.7	-175.3	159	0	0	111.7	L128 K129 A134 K135 E136	L128-E132 PolarHBondContact O-N 3.43Å; K129-E132 PolarHBondContact O-N 2.96Å; E132-A134 VanDerWaalsContact C-N 3.32Å; E132-A134 PolarHBondContact O-N 3.36Å; E132-K135 WeakPolarHBondContact O-CB 3.34Å; E132-K135 PolarHBondContact O-N 2.85Å; E132-K135 VanDerWaalsContact O-N 3.16Å; E132-E136 PolarHBondContact O-N 2.9Å; E132-E136 VanDerWaalsContact O-N 3.14Å
133	K	76.1	Confident	70.9	Confident	143 Å²	143	93.7 Å²	93.7	62%	0.622	48%	0.476	S	S	*	.	H	α-helix	trans	-65.6	-35.6	178.5	-155.1	169.6	-173.1	177.2	0	112.3	K129 A130 E136 L137	K129-K133 WeakPolarHBondContact O-CB 3.45Å; K129-K133 PolarHBondContact O-N 3.25Å; A130-K133 PolarHBondContact O-N 2.88Å; K133-E136 PolarHBondContact O-N 2.88Å; K133-L137 WeakPolarHBondContact O-CG 3.28Å; K133-L137 PolarHBondContact O-N 2.86Å
134	A	70.4	Confident	71.1	Confident	41 Å²	41	96.5 Å²	96.5	34%	0.339	48%	0.484	S	S	.	.	H	α-helix	trans	-63.6	-39.8	172.9	0	0	0	0	0	112	A130 C131 E132 L137 E138	A130-A134 WeakPolarHBondContact O-CB 3.32Å; A130-A134 PolarHBondContact O-N 3.39Å; C131-A134 PolarHBondContact O-N 3.13Å; E132-A134 VanDerWaalsContact C-N 3.32Å; E132-A134 PolarHBondContact O-N 3.36Å; A134-L137 PolarHBondContact O-N 2.81Å; A134-E138 PolarHBondContact O-N 3.21Å
135	K	71.7	Confident	71.5	Confident	89 Å²	89	100.1 Å²	100.1	39%	0.387	49%	0.494	S	S	.	.	H	α-helix	trans	-62.8	-41.4	174.6	-79.8	178.9	171.5	176.5	0	112.7	C7 C131 E132 E138 K139	C7-K135 VanDerWaalsContact O-CE 3.22Å; C7-K135 WeakPolarHBondContact O-CE 3.39Å; C7-K135 PolarHBondContact O-NZ 2.63Å; C131-K135 PolarHBondContact O-N 3.36Å; C131-K135 VanDerWaalsContact O-N 3.09Å; E132-K135 WeakPolarHBondContact O-CB 3.34Å; E132-K135 PolarHBondContact O-N 2.85Å; E132-K135 VanDerWaalsContact O-N 3.16Å; K135-E138 PolarHBondContact O-N 3.44Å; K135-K139 PolarHBondContact O-N 2.85Å
136	E	78.1	Confident	71	Confident	138 Å²	138	103.2 Å²	103.2	65%	0.645	50%	0.5	S	S	*	.	H	α-helix	trans	-61.8	-46.6	174.4	-85.8	-170.5	152.4	0	0	111.5	E132 K133 E138 K139 M140	E132-E136 PolarHBondContact O-N 2.9Å; E132-E136 VanDerWaalsContact O-N 3.14Å; K133-E136 PolarHBondContact O-N 2.88Å; E136-E138 PolarHBondContact O-N 2.8Å; E136-K139 PolarHBondContact O-N 2.67Å; E136-M140 WeakPolarHBondContact O-CG 3.48Å; E136-M140 PolarHBondContact O-N 3.35Å
137	L	76	Confident	70.6	Confident	84 Å²	84	102.4 Å²	102.4	44%	0.44	50%	0.497	S	S	.	.	H	α-helix	trans	-62.4	-42.4	177.8	-75.8	168	0	0	0	112.1	K133 A134 K139 M140 F141	K133-L137 WeakPolarHBondContact O-CG 3.28Å; K133-L137 PolarHBondContact O-N 2.86Å; A134-L137 PolarHBondContact O-N 2.81Å; L137-K139 VanDerWaalsContact C-N 3.29Å; L137-K139 PolarHBondContact O-N 3.07Å; L137-M140 WeakPolarHBondContact O-CB 3.37Å; L137-M140 PolarHBondContact O-N 3.47Å; L137-M140 VanDerWaalsContact O-N 3.15Å; L137-F141 HydrophobicContact CB-CD2 4.39Å; L137-F141 HydrophobicContact CB-CE2 4.43Å; L137-F141 WeakPolarHBondContact O-CB 3.33Å; L137-F141 WeakPolarHBondContact O-CD2 3.34Å; L137-F141 PolarHBondContact O-N 2.92Å
138	E	72.2	Confident	70.3	Confident	72 Å²	72	106 Å²	106	34%	0.336	52%	0.518	S	S	.	.	H	α-helix	trans	-57.1	-42.9	174.9	-82.8	-169.2	149.4	0	0	111.8	S9 T11 V12 A134 K135 E136 M140 F141 S142	S9-E138 PolarHBondContact OG-OE2 3.18Å; T11-E138 PolarHBondContact OG1-OE2 2.97Å; V12-E138 WeakPolarHBondContact CG2-OE1 3.4Å; A134-E138 PolarHBondContact O-N 3.21Å; K135-E138 PolarHBondContact O-N 3.44Å; E136-E138 PolarHBondContact O-N 2.8Å; E138-M140 VanDerWaalsContact C-N 3.32Å; E138-M140 PolarHBondContact O-N 3.39Å; E138-F141 PolarHBondContact O-N 2.61Å; E138-S142 PolarHBondContact O-N 3.02Å; E138-S142 PolarHBondContact O-OG 3.25Å
139	K	74.9	Confident	69.8	Low	161 Å²	161	106.5 Å²	106.5	70%	0.7	52%	0.521	S	S	*	.	H	α-helix	trans	-66.2	-35.5	178.5	-156.7	178.4	-175.4	-178.1	0	111.9	K135 E136 L137 S142 T143	K135-K139 PolarHBondContact O-N 2.85Å; E136-K139 PolarHBondContact O-N 2.67Å; L137-K139 VanDerWaalsContact C-N 3.29Å; L137-K139 PolarHBondContact O-N 3.07Å; K139-S142 PolarHBondContact O-OG 3.27Å; K139-T143 PolarHBondContact O-N 2.85Å; K139-T143 PolarHBondContact O-OG1 3.26Å
140	M	76.9	Confident	68.7	Low	120 Å²	120	101.4 Å²	101.4	59%	0.591	51%	0.507	S	S	*	.	H	α-helix	trans	-68.2	-44.2	172.1	-68.1	179.5	66.6	0	0	111.4	E136 L137 E138 T143 Q144	E136-M140 WeakPolarHBondContact O-CG 3.48Å; E136-M140 PolarHBondContact O-N 3.35Å; L137-M140 WeakPolarHBondContact O-CB 3.37Å; L137-M140 PolarHBondContact O-N 3.47Å; L137-M140 VanDerWaalsContact O-N 3.15Å; E138-M140 VanDerWaalsContact C-N 3.32Å; E138-M140 PolarHBondContact O-N 3.39Å; M140-T143 WeakPolarHBondContact O-CB 3.42Å; M140-T143 PolarHBondContact O-N 3.08Å; M140-Q144 PolarHBondContact O-N 2.82Å
141	F	71.2	Confident	68	Low	130 Å²	130	103.4 Å²	103.4	57%	0.57	51%	0.506	S	S	*	.	H	α-helix	trans	-65.4	-39.3	178.5	-84.3	-64.5	0	0	0	112.7	L137 E138 T143 Q144 R145	L137-F141 HydrophobicContact CB-CD2 4.39Å; L137-F141 HydrophobicContact CB-CE2 4.43Å; L137-F141 WeakPolarHBondContact O-CB 3.33Å; L137-F141 WeakPolarHBondContact O-CD2 3.34Å; L137-F141 PolarHBondContact O-N 2.92Å; E138-F141 PolarHBondContact O-N 2.61Å; F141-T143 VanDerWaalsContact C-N 3.26Å; F141-T143 PolarHBondContact O-N 3.17Å; F141-Q144 PolarHBondContact O-N 3.13Å; F141-R145 WeakPolarHBondContact O-CB 3.4Å; F141-R145 PolarHBondContact O-N 3.05Å
142	S	68.7	Low	67.5	Low	72 Å²	72	109.3 Å²	109.3	50%	0.503	53%	0.53	S	S	.	.	H	α-helix	trans	-62.5	-38.1	176.1	66.3	0	0	0	0	111.4	E138 K139 F146	E138-S142 PolarHBondContact O-N 3.02Å; E138-S142 PolarHBondContact O-OG 3.25Å; K139-S142 PolarHBondContact O-OG 3.27Å; S142-F146 PolarHBondContact O-N 3.04Å
143	T	65.9	Low	66.5	Low	81 Å²	81	108.4 Å²	108.4	50%	0.497	53%	0.526	S	S	.	.	H	α-helix	trans	-68	-45.9	176.2	-50.4	0	0	0	0	111	K139 M140 F141 R145 F146 I147	K139-T143 PolarHBondContact O-N 2.85Å; K139-T143 PolarHBondContact O-OG1 3.26Å; M140-T143 WeakPolarHBondContact O-CB 3.42Å; M140-T143 PolarHBondContact O-N 3.08Å; F141-T143 VanDerWaalsContact C-N 3.26Å; F141-T143 PolarHBondContact O-N 3.17Å; T143-R145 PolarHBondContact O-N 3.3Å; T143-F146 PolarHBondContact O-N 3.3Å; T143-I147 HydrophobicContact CG2-CD1 4.42Å; T143-I147 WeakPolarHBondContact O-CG1 3.3Å; T143-I147 PolarHBondContact O-N 3.28Å; T143-I147 VanDerWaalsContact O-N 3.14Å
144	Q	70.7	Confident	65	Low	124 Å²	124	106.7 Å²	106.7	58%	0.579	52%	0.52	S	S	*	.	H	α-helix	trans	-65	-38.5	175.7	-75.7	-162.4	-16.9	0	0	112.7	M140 F141 F146 I147 L148	M140-Q144 PolarHBondContact O-N 2.82Å; F141-Q144 PolarHBondContact O-N 3.13Å; Q144-F146 VanDerWaalsContact C-N 3.33Å; Q144-F146 PolarHBondContact O-N 3.24Å; Q144-I147 PolarHBondContact O-N 3.08Å; Q144-L148 WeakPolarHBondContact O-CB 3.43Å; Q144-L148 PolarHBondContact O-N 3.31Å
145	R	67.2	Low	64.1	Low	179 Å²	179	109.3 Å²	109.3	68%	0.675	53%	0.528	S	S	*	.	H	α-helix	trans	-63.6	-39.7	176.9	-172.7	173.9	-175.8	173.6	0.2	111.5	F141 T143 L148 N149	F141-R145 WeakPolarHBondContact O-CB 3.4Å; F141-R145 PolarHBondContact O-N 3.05Å; T143-R145 PolarHBondContact O-N 3.3Å; R145-L148 PolarHBondContact O-N 3.17Å; R145-N149 WeakPolarHBondContact O-CB 3.41Å; R145-N149 VanDerWaalsContact O-CG 3.27Å; R145-N149 PolarHBondContact O-N 3.24Å
146	F	61	Low	63.2	Low	159 Å²	159	110.7 Å²	110.7	70%	0.697	54%	0.536	S	S	*	.	H	α-helix	trans	-61	-47	173.5	-177.5	-95.9	0	0	0	111.6	S142 T143 Q144 N149 A150	S142-F146 PolarHBondContact O-N 3.04Å; T143-F146 PolarHBondContact O-N 3.3Å; Q144-F146 VanDerWaalsContact C-N 3.33Å; Q144-F146 PolarHBondContact O-N 3.24Å; F146-N149 PolarHBondContact O-N 3.13Å; F146-A150 PolarHBondContact O-N 3.27Å
147	I	58.7	Low	61.8	Low	85 Å²	85	107.1 Å²	107.1	44%	0.436	52%	0.521	S	S	.	.	H	α-helix	trans	-63.1	-43.6	177.1	-65	165.8	0	0	0	111.3	T143 Q144 N149 A150 H151	T143-I147 HydrophobicContact CG2-CD1 4.42Å; T143-I147 WeakPolarHBondContact O-CG1 3.3Å; T143-I147 PolarHBondContact O-N 3.28Å; T143-I147 VanDerWaalsContact O-N 3.14Å; Q144-I147 PolarHBondContact O-N 3.08Å; I147-N149 PolarHBondContact O-N 3.37Å; I147-A150 PolarHBondContact O-N 3.44Å; I147-H151 PolarHBondContact O-N 3.41Å
148	L	60.3	Low	60.3	Low	118 Å²	118	107.9 Å²	107.9	62%	0.618	52%	0.524	S	S	*	.	H	α-helix	trans	-64.5	-41.4	179.9	-162.8	102.9	0	0	0	111.5	Q144 R145 H151 K152	Q144-L148 WeakPolarHBondContact O-CB 3.43Å; Q144-L148 PolarHBondContact O-N 3.31Å; R145-L148 PolarHBondContact O-N 3.17Å; L148-H151 PolarHBondContact O-N 3.01Å; L148-K152 VanDerWaalsContact O-CB 3.29Å; L148-K152 WeakPolarHBondContact O-CB 3.26Å; L148-K152 PolarHBondContact O-N 3.42Å
149	N	60	Low	59.1	Low	77 Å²	77	112.1 Å²	112.1	41%	0.412	54%	0.537	S	S	.	.	H	α-helix	trans	-64.2	-43	175.8	-75.9	-9.9	0	0	0	111.3	R145 F146 I147 H151 K152 E153	R145-N149 WeakPolarHBondContact O-CB 3.41Å; R145-N149 VanDerWaalsContact O-CG 3.27Å; R145-N149 PolarHBondContact O-N 3.24Å; F146-N149 PolarHBondContact O-N 3.13Å; I147-N149 PolarHBondContact O-N 3.37Å; N149-H151 PolarHBondContact O-N 3.49Å; N149-K152 PolarHBondContact O-N 3.21Å; N149-E153 WeakPolarHBondContact O-CG 3.44Å; N149-E153 PolarHBondContact O-N 3.25Å
150	A	51.8	Low	57.8	Low	44 Å²	44	108 Å²	108	36%	0.364	53%	0.526	S	S	.	.	H	α-helix	trans	-59.9	-45.3	174.8	0	0	0	0	0	112	F146 I147 K152 E153 E154	F146-A150 PolarHBondContact O-N 3.27Å; I147-A150 PolarHBondContact O-N 3.44Å; A150-K152 VanDerWaalsContact C-N 3.33Å; A150-K152 PolarHBondContact O-N 3.41Å; A150-E153 PolarHBondContact O-N 3.32Å; A150-E154 PolarHBondContact O-N 3.43Å
151	H	53.1	Low	56.3	Low	100 Å²	100	103.7 Å²	103.7	46%	0.463	51%	0.505	S	S	.	.	H	α-helix	trans	-67.8	-31.5	175.3	-78.8	-41.9	0	0	0	113.5	I147 L148 N149 E154 L155	I147-H151 PolarHBondContact O-N 3.41Å; L148-H151 PolarHBondContact O-N 3.01Å; N149-H151 PolarHBondContact O-N 3.49Å; H151-E154 IonicContact CE1-OE2 3.32Å; H151-E154 IonicContact CG-OE2 3.79Å; H151-E154 IonicContact ND1-OE2 2.92Å; H151-E154 PolarHBondContact ND1-OE2 3.38Å; H151-E154 PolarHBondContact O-N 2.63Å; H151-L155 WeakPolarHBondContact O-CB 3.47Å; H151-L155 WeakPolarHBondContact O-CG 3.4Å; H151-L155 PolarHBondContact O-N 2.96Å
152	K	57.9	Low	54.9	Low	137 Å²	137	103.5 Å²	103.5	60%	0.596	50%	0.504	S	S	*	.	H	α-helix	trans	-67.4	-44.3	175.5	-165.1	-179.2	179.9	-172.4	0	110.3	L148 N149 A150 L155 E156	L148-K152 VanDerWaalsContact O-CB 3.29Å; L148-K152 WeakPolarHBondContact O-CB 3.26Å; L148-K152 PolarHBondContact O-N 3.42Å; N149-K152 PolarHBondContact O-N 3.21Å; A150-K152 VanDerWaalsContact C-N 3.33Å; A150-K152 PolarHBondContact O-N 3.41Å; K152-L155 PolarHBondContact O-N 3.43Å; K152-E156 VanDerWaalsContact O-CB 3.29Å; K152-E156 WeakPolarHBondContact O-CB 3.33Å; K152-E156 PolarHBondContact O-N 3.09Å
153	E	53.7	Low	53.7	Low	122 Å²	122	104.4 Å²	104.4	57%	0.57	50%	0.503	S	S	*	.	H	α-helix	trans	-63.7	-39.7	173.7	-72.6	179.8	-173.9	0	0	111.8	N149 A150 E156 L157	N149-E153 WeakPolarHBondContact O-CG 3.44Å; N149-E153 PolarHBondContact O-N 3.25Å; A150-E153 PolarHBondContact O-N 3.32Å; E153-E156 PolarHBondContact O-N 3.48Å; E153-L157 WeakPolarHBondContact O-CB 3.49Å; E153-L157 PolarHBondContact O-N 3.47Å
154	E	45.6	Very low	52.5	Low	107 Å²	107	103 Å²	103	50%	0.5	49%	0.491	S	S	.	.	H	α-helix	trans	-60.4	-48	171.2	-80.8	-176.5	146.1	0	0	112.3	A150 H151 E156 L157 I158	A150-E154 PolarHBondContact O-N 3.43Å; H151-E154 IonicContact CE1-OE2 3.32Å; H151-E154 IonicContact CG-OE2 3.79Å; H151-E154 IonicContact ND1-OE2 2.92Å; H151-E154 PolarHBondContact ND1-OE2 3.38Å; H151-E154 PolarHBondContact O-N 2.63Å; E154-E156 VanDerWaalsContact C-N 3.3Å; E154-E156 PolarHBondContact O-N 3.4Å; E154-L157 WeakPolarHBondContact O-CB 3.38Å; E154-L157 PolarHBondContact O-N 2.83Å; E154-I158 WeakPolarHBondContact O-CB 3.37Å; E154-I158 VanDerWaalsContact O-CG1 3.25Å; E154-I158 WeakPolarHBondContact O-CG1 3.44Å; E154-I158 PolarHBondContact O-N 3.15Å
155	L	51.1	Low	51	Low	97 Å²	97	100 Å²	100	51%	0.508	48%	0.481	S	S	.	.	H	α-helix	trans	-65.4	-36.2	179.5	-85.6	166.6	0	0	0	111.9	H151 K152 I158 R159	H151-L155 WeakPolarHBondContact O-CB 3.47Å; H151-L155 WeakPolarHBondContact O-CG 3.4Å; H151-L155 PolarHBondContact O-N 2.96Å; K152-L155 PolarHBondContact O-N 3.43Å; L155-I158 PolarHBondContact O-N 3.48Å; L155-R159 WeakPolarHBondContact O-CB 3.42Å; L155-R159 WeakPolarHBondContact O-CG 3.25Å; L155-R159 PolarHBondContact O-N 2.92Å
156	E	51.9	Low	49.6	Very low	118 Å²	118	96.1 Å²	96.1	55%	0.551	48%	0.477	S	S	*	.	H	α-helix	trans	-68.6	-42.7	175.5	-158.1	160.1	-142.8	0	0	109.9	K152 E153 E154 I158 R159 T160	K152-E156 VanDerWaalsContact O-CB 3.29Å; K152-E156 WeakPolarHBondContact O-CB 3.33Å; K152-E156 PolarHBondContact O-N 3.09Å; E153-E156 PolarHBondContact O-N 3.48Å; E154-E156 VanDerWaalsContact C-N 3.3Å; E154-E156 PolarHBondContact O-N 3.4Å; E156-I158 PolarHBondContact O-N 2.97Å; E156-R159 CarbonylContact O-C 3.56Å; E156-R159 PolarHBondContact O-N 3.19Å; E156-T160 PolarHBondContact O-N 3.05Å; E156-T160 PolarHBondContact O-OG1 2.95Å
157	L	48.6	Very low	48.6	Very low	63 Å²	63	91.1 Å²	91.1	33%	0.33	47%	0.465	S	S	.	.	H	α-helix	trans	-59.7	-45.5	171.9	-167.2	82.1	0	0	0	112	E153 E154 R159 T160 L161 F177	E153-L157 WeakPolarHBondContact O-CB 3.49Å; E153-L157 PolarHBondContact O-N 3.47Å; E154-L157 WeakPolarHBondContact O-CB 3.38Å; E154-L157 PolarHBondContact O-N 2.83Å; L157-R159 VanDerWaalsContact C-N 3.34Å; L157-T160 PolarHBondContact O-N 2.79Å; L157-L161 HydrophobicContact CD2-CD1 4.45Å; L157-L161 HydrophobicContact CG-CD1 4.19Å; L157-L161 WeakPolarHBondContact O-CB 3.42Å; L157-L161 VanDerWaalsContact O-CG 3.25Å; L157-L161 WeakPolarHBondContact O-CG 3.42Å; L157-L161 PolarHBondContact O-N 2.91Å; L157-F177 HydrophobicContact CD1-CD1 3.88Å; L157-F177 HydrophobicContact CD1-CE1 4.04Å
158	I	45.2	Very low	47.5	Very low	99 Å²	99	90.7 Å²	90.7	51%	0.508	46%	0.464	S	S	.	.	H	α-helix	trans	-62.5	-41.7	175.8	-69.4	164.9	0	0	0	110.5	E154 L155 E156 L161 K162	E154-I158 WeakPolarHBondContact O-CB 3.37Å; E154-I158 VanDerWaalsContact O-CG1 3.25Å; E154-I158 WeakPolarHBondContact O-CG1 3.44Å; E154-I158 PolarHBondContact O-N 3.15Å; L155-I158 PolarHBondContact O-N 3.48Å; E156-I158 PolarHBondContact O-N 2.97Å; I158-L161 PolarHBondContact O-N 3.23Å; I158-K162 WeakPolarHBondContact O-CB 3.49Å; I158-K162 PolarHBondContact O-N 3.39Å
159	R	47.6	Very low	46.3	Very low	162 Å²	162	89.4 Å²	89.4	61%	0.611	46%	0.458	S	S	*	.	H	α-helix	trans	-64.9	-46.9	175.3	-83.3	-177.2	-165.3	167.1	4.7	111	L155 E156 L157 L161 K162 D163	L155-R159 WeakPolarHBondContact O-CB 3.42Å; L155-R159 WeakPolarHBondContact O-CG 3.25Å; L155-R159 PolarHBondContact O-N 2.92Å; E156-R159 CarbonylContact O-C 3.56Å; E156-R159 PolarHBondContact O-N 3.19Å; L157-R159 VanDerWaalsContact C-N 3.34Å; R159-L161 VanDerWaalsContact C-N 3.28Å; R159-L161 PolarHBondContact O-N 3.16Å; R159-K162 CarbonylContact O-C 3.6Å; R159-K162 PolarHBondContact O-N 2.84Å; R159-K162 VanDerWaalsContact O-N 3.14Å; R159-D163 VanDerWaalsContact O-CB 3.23Å; R159-D163 WeakPolarHBondContact O-CB 3.37Å; R159-D163 VanDerWaalsContact O-CG 3.22Å; R159-D163 PolarHBondContact O-N 2.8Å
160	T	47.4	Very low	45.2	Very low	75 Å²	75	90.8 Å²	90.8	46%	0.46	46%	0.457	S	S	.	.	H	α-helix	trans	-61.7	-39.2	178	-44	0	0	0	0	110.6	E156 L157 M164	E156-T160 PolarHBondContact O-N 3.05Å; E156-T160 PolarHBondContact O-OG1 2.95Å; L157-T160 PolarHBondContact O-N 2.79Å; T160-M164 HydrophobicContact CG2-CE 4.28Å; T160-M164 VanDerWaalsContact O-CB 3.27Å; T160-M164 WeakPolarHBondContact O-CB 3.48Å; T160-M164 WeakPolarHBondContact O-CE 3.27Å; T160-M164 WeakPolarHBondContact O-CG 3.38Å; T160-M164 PolarHBondContact O-N 2.93Å
161	L	44.6	Very low	44.3	Very low	28 Å²	28	97.8 Å²	97.8	15%	0.147	47%	0.474	C	S	.	.	H	α-helix	trans	-68.2	-40.7	173.3	-72.2	167.3	0	0	0	112.9	L157 I158 R159 M164 T165 L280	L157-L161 HydrophobicContact CD2-CD1 4.45Å; L157-L161 HydrophobicContact CG-CD1 4.19Å; L157-L161 WeakPolarHBondContact O-CB 3.42Å; L157-L161 VanDerWaalsContact O-CG 3.25Å; L157-L161 WeakPolarHBondContact O-CG 3.42Å; L157-L161 PolarHBondContact O-N 2.91Å; I158-L161 PolarHBondContact O-N 3.23Å; R159-L161 VanDerWaalsContact C-N 3.28Å; R159-L161 PolarHBondContact O-N 3.16Å; L161-M164 HydrophobicContact CD2-CE 3.77Å; L161-M164 HydrophobicContact CG-CE 4.3Å; L161-M164 PolarHBondContact O-N 3.39Å; L161-T165 PolarHBondContact O-N 3.21Å; L161-T165 PolarHBondContact O-OG1 2.85Å; L161-L280 HydrophobicContact CD2-CD1 4.36Å
162	K	42.2	Very low	43.3	Very low	127 Å²	127	97.7 Å²	97.7	55%	0.552	48%	0.477	S	S	*	.	H	α-helix	trans	-67.6	-44.8	176.5	-174.9	-178.3	174	-174.7	0	110.8	I158 R159 M164 T165 V166	I158-K162 WeakPolarHBondContact O-CB 3.49Å; I158-K162 PolarHBondContact O-N 3.39Å; R159-K162 CarbonylContact O-C 3.6Å; R159-K162 PolarHBondContact O-N 2.84Å; R159-K162 VanDerWaalsContact O-N 3.14Å; K162-M164 VanDerWaalsContact C-N 3.31Å; K162-T165 VanDerWaalsContact CA-OG1 3.31Å; K162-T165 WeakPolarHBondContact CA-OG1 3.45Å; K162-T165 CarbonylContact O-C 3.6Å; K162-T165 PolarHBondContact O-N 2.9Å; K162-T165 VanDerWaalsContact O-N 3.11Å; K162-T165 PolarHBondContact O-OG1 3.33Å; K162-V166 HydrophobicContact CG-CG2 4.02Å; K162-V166 VanDerWaalsContact O-CB 3.26Å; K162-V166 WeakPolarHBondContact O-CB 3.44Å; K162-V166 WeakPolarHBondContact O-CG2 3.4Å; K162-V166 PolarHBondContact O-N 3.19Å
163	D	44.1	Very low	42.1	Very low	90 Å²	90	96.5 Å²	96.5	48%	0.481	47%	0.469	S	S	.	.	H	α-helix	trans	-67.7	-35.3	176.1	-67.1	-19.6	0	0	0	109.1	R159 T165 V166 A167	R159-D163 VanDerWaalsContact O-CB 3.23Å; R159-D163 WeakPolarHBondContact O-CB 3.37Å; R159-D163 VanDerWaalsContact O-CG 3.22Å; R159-D163 PolarHBondContact O-N 2.8Å; D163-T165 VanDerWaalsContact C-N 3.35Å; D163-T165 PolarHBondContact O-N 3.12Å; D163-V166 PolarHBondContact O-N 3.38Å; D163-A167 VanDerWaalsContact O-CA 3.29Å; D163-A167 WeakPolarHBondContact O-CA 3.48Å; D163-A167 WeakPolarHBondContact O-CB 3.39Å; D163-A167 PolarHBondContact O-N 2.97Å
164	M	40.1	Very low	41.1	Very low	51 Å²	51	94 Å²	94	25%	0.251	47%	0.466	S	S	.	.	H	α-helix	trans	-64	-36.3	168.9	-77.7	-174	-65.5	0	0	112.9	T160 L161 K162 Y173	T160-M164 HydrophobicContact CG2-CE 4.28Å; T160-M164 VanDerWaalsContact O-CB 3.27Å; T160-M164 WeakPolarHBondContact O-CB 3.48Å; T160-M164 WeakPolarHBondContact O-CE 3.27Å; T160-M164 WeakPolarHBondContact O-CG 3.38Å; T160-M164 PolarHBondContact O-N 2.93Å; L161-M164 HydrophobicContact CD2-CE 3.77Å; L161-M164 HydrophobicContact CG-CE 4.3Å; L161-M164 PolarHBondContact O-N 3.39Å; K162-M164 VanDerWaalsContact C-N 3.31Å; M164-Y173 HydrophobicContact CG-CD2 4.35Å; M164-Y173 HydrophobicContact SD-CD2 4.07Å; M164-Y173 HydrophobicContact SD-CG 4.33Å
165	T	38.3	Very low	40.7	Very low	62 Å²	62	91.9 Å²	91.9	38%	0.38	46%	0.457	S	S	.	.	H	α-helix	trans	-74.3	-33.8	173.9	49.1	0	0	0	0	113.3	L161 K162 D163 L280	L161-T165 PolarHBondContact O-N 3.21Å; L161-T165 PolarHBondContact O-OG1 2.85Å; K162-T165 VanDerWaalsContact CA-OG1 3.31Å; K162-T165 WeakPolarHBondContact CA-OG1 3.45Å; K162-T165 CarbonylContact O-C 3.6Å; K162-T165 PolarHBondContact O-N 2.9Å; K162-T165 VanDerWaalsContact O-N 3.11Å; K162-T165 PolarHBondContact O-OG1 3.33Å; D163-T165 VanDerWaalsContact C-N 3.35Å; D163-T165 PolarHBondContact O-N 3.12Å; T165-L280 HydrophobicContact CG2-CD2 3.49Å; T165-L280 VanDerWaalsContact CG2-CD2 3.49Å; T165-L280 HydrophobicContact CG2-CG 4.06Å
166	V	39	Very low	40	Very low	97 Å²	97	94.2 Å²	94.2	59%	0.588	47%	0.468	S	S	*	.	H	α-helix	trans	-94.1	-40.3	-172.6	174.6	0	0	0	0	112.2	K162 D163 N168	K162-V166 HydrophobicContact CG-CG2 4.02Å; K162-V166 VanDerWaalsContact O-CB 3.26Å; K162-V166 WeakPolarHBondContact O-CB 3.44Å; K162-V166 WeakPolarHBondContact O-CG2 3.4Å; K162-V166 PolarHBondContact O-N 3.19Å; D163-V166 PolarHBondContact O-N 3.38Å; V166-N168 PolarHBondContact O-N 2.95Å
167	A	39.3	Very low	39.4	Very low	54 Å²	54	90.1 Å²	90.1	45%	0.446	45%	0.449	S	S	.	.	S	Bend	trans	-62.1	-9.6	176.9	0	0	0	0	0	111.4	D163 D169	D163-A167 VanDerWaalsContact O-CA 3.29Å; D163-A167 WeakPolarHBondContact O-CA 3.48Å; D163-A167 WeakPolarHBondContact O-CB 3.39Å; D163-A167 PolarHBondContact O-N 2.97Å; A167-D169 HydrophobicContact CB-CB 3.75Å; A167-D169 WeakPolarHBondContact O-CA 3.43Å; A167-D169 WeakPolarHBondContact O-CB 3.26Å; A167-D169 PolarHBondContact O-N 2.67Å
168	N	36.7	Very low	38.9	Very low	77 Å²	77	92.4 Å²	92.4	41%	0.412	48%	0.477	S	S	.	.			trans	54.4	26.4	173.5	-121.7	-10.2	0	0	0	109.6	V166 R170 T283	V166-N168 PolarHBondContact O-N 2.95Å; N168-R170 VanDerWaalsContact C-N 3.28Å; N168-R170 WeakPolarHBondContact O-CG 3.35Å; N168-R170 PolarHBondContact O-N 2.79Å; N168-R170 VanDerWaalsContact O-N 3.08Å; N168-T283 PolarHBondContact OD1-OG1 3.34Å
169	D	34.8	Very low	38.8	Very low	90 Å²	90	90.9 Å²	90.9	48%	0.481	47%	0.47	S	S	.	.			trans	-98.1	57.6	-152.7	-144	2	0	0	0	109.7	A167 R171 Y173	A167-D169 HydrophobicContact CB-CB 3.75Å; A167-D169 WeakPolarHBondContact O-CA 3.43Å; A167-D169 WeakPolarHBondContact O-CB 3.26Å; A167-D169 PolarHBondContact O-N 2.67Å; D169-R171 PolarHBondContact O-N 2.69Å; D169-Y173 WeakPolarHBondContact O-CE2 3.49Å
170	R	36.3	Very low	38.6	Very low	106 Å²	106	85.9 Å²	85.9	40%	0.4	46%	0.458	S	S	.	.			trans	36.9	-5.1	137.7	-40.3	-174.5	150.5	-147.7	2.3	121.9	N168 S285 T286	N168-R170 VanDerWaalsContact C-N 3.28Å; N168-R170 WeakPolarHBondContact O-CG 3.35Å; N168-R170 PolarHBondContact O-N 2.79Å; N168-R170 VanDerWaalsContact O-N 3.08Å; R170-S285 WeakPolarHBondContact CD-OG 3.46Å; R170-S285 VanDerWaalsContact CZ-CB 3.44Å; R170-S285 VanDerWaalsContact CZ-OG 3.32Å; R170-S285 PolarHBondContact NE-OG 3.46Å; R170-S285 VanDerWaalsContact NH1-CB 3.32Å; R170-S285 PolarHBondContact NH1-OG 2.97Å; R170-T286 VanDerWaalsContact NH1-C 3.29Å
171	R	32.5	Very low	38.6	Very low	192 Å²	192	83.6 Å²	83.6	73%	0.725	44%	0.443	S	S	*	.	S	Bend	trans	-106.5	127.2	175.6	-66.9	-177.3	176.6	-175.1	-1.5	107.4	D169 Y173	D169-R171 PolarHBondContact O-N 2.69Å; R171-Y173 HydrophobicContact CB-CD2 4.49Å; R171-Y173 HydrophobicContact CB-CE1 4.39Å; R171-Y173 HydrophobicContact CB-CE2 4.08Å; R171-Y173 WeakPolarHBondContact O-CD2 3.5Å; R171-Y173 WeakPolarHBondContact O-CE2 3.26Å; R171-Y173 PolarHBondContact O-N 2.99Å
172	L	32.4	Very low	38.5	Very low	98 Å²	98	84.6 Å²	84.6	51%	0.513	45%	0.448	S	S	.	.			trans	-62.5	86.6	168.6	-94.1	152.6	0	0	0	107.3	S174 L244 C246	L172-S174 PolarHBondContact O-N 2.93Å; L172-L244 WeakPolarHBondContact CD1-O 3.41Å; L172-L244 HydrophobicContact CD2-CB 4.12Å; L172-L244 WeakPolarHBondContact CD2-O 3.4Å; L172-C246 HydrophobicContact CD1-CB 3.82Å
173	Y	32.6	Very low	38.5	Very low	111 Å²	111	81.4 Å²	81.4	44%	0.435	44%	0.435	S	S	.	.			trans	-66.9	119.9	176.1	-69	-77.6	0	0	0	107.2	M164 D169 R171 I175	M164-Y173 HydrophobicContact CG-CD2 4.35Å; M164-Y173 HydrophobicContact SD-CD2 4.07Å; M164-Y173 HydrophobicContact SD-CG 4.33Å; D169-Y173 WeakPolarHBondContact O-CE2 3.49Å; R171-Y173 HydrophobicContact CB-CD2 4.49Å; R171-Y173 HydrophobicContact CB-CE1 4.39Å; R171-Y173 HydrophobicContact CB-CE2 4.08Å; R171-Y173 WeakPolarHBondContact O-CD2 3.5Å; R171-Y173 WeakPolarHBondContact O-CE2 3.26Å; R171-Y173 PolarHBondContact O-N 2.99Å; Y173-I175 VanDerWaalsContact C-N 3.34Å; Y173-I175 PolarHBondContact O-N 3.07Å
174	S	33.6	Very low	38.6	Very low	71 Å²	71	77.9 Å²	77.9	50%	0.497	42%	0.416	S	S	.	.			trans	-54.7	110.1	150.9	58.4	0	0	0	0	105.2	L172 I176	L172-S174 PolarHBondContact O-N 2.93Å; S174-I176 PolarHBondContact O-N 3.07Å
175	I	36.3	Very low	39	Very low	62 Å²	62	78.3 Å²	78.3	32%	0.318	42%	0.415	S	S	.	.			trans	-72.9	89	175.9	-49.8	172.7	0	0	0	105.5	Y173 F177	Y173-I175 VanDerWaalsContact C-N 3.34Å; Y173-I175 PolarHBondContact O-N 3.07Å; I175-F177 HydrophobicContact CB-CE2 3.88Å; I175-F177 HydrophobicContact CB-CZ 3.85Å; I175-F177 HydrophobicContact CD1-CZ 4.46Å; I175-F177 HydrophobicContact CG2-CD1 4.04Å; I175-F177 HydrophobicContact CG2-CD2 4.12Å; I175-F177 HydrophobicContact CG2-CE1 3.46Å; I175-F177 VanDerWaalsContact CG2-CE1 3.46Å; I175-F177 HydrophobicContact CG2-CE2 3.56Å; I175-F177 HydrophobicContact CG2-CG 4.32Å; I175-F177 HydrophobicContact CG2-CZ 3.15Å; I175-F177 WeakPolarHBondContact O-CD2 3.39Å; I175-F177 PolarHBondContact O-N 2.93Å
176	I	37	Very low	39.6	Very low	145 Å²	145	75.9 Å²	75.9	74%	0.744	40%	0.4	S	S	*	.			trans	-78.9	97.4	171.8	-57.9	169.4	0	0	0	104.2	S174 A178	S174-I176 PolarHBondContact O-N 3.07Å; I176-A178 PolarHBondContact O-N 2.8Å
177	F	38.3	Very low	40.3	Very low	32 Å²	32	71.5 Å²	71.5	14%	0.14	37%	0.373	C	S	.	.			trans	-65.9	125.8	170.6	-62.7	-79.9	0	0	0	107.6	L157 I175 N179 M184	L157-F177 HydrophobicContact CD1-CD1 3.88Å; L157-F177 HydrophobicContact CD1-CE1 4.04Å; I175-F177 HydrophobicContact CB-CE2 3.88Å; I175-F177 HydrophobicContact CB-CZ 3.85Å; I175-F177 HydrophobicContact CD1-CZ 4.46Å; I175-F177 HydrophobicContact CG2-CD1 4.04Å; I175-F177 HydrophobicContact CG2-CD2 4.12Å; I175-F177 HydrophobicContact CG2-CE1 3.46Å; I175-F177 VanDerWaalsContact CG2-CE1 3.46Å; I175-F177 HydrophobicContact CG2-CE2 3.56Å; I175-F177 HydrophobicContact CG2-CG 4.32Å; I175-F177 HydrophobicContact CG2-CZ 3.15Å; I175-F177 WeakPolarHBondContact O-CD2 3.39Å; I175-F177 PolarHBondContact O-N 2.93Å; F177-N179 WeakPolarHBondContact CB-O 3.5Å; F177-N179 PolarHBondContact O-N 3.06Å; F177-N179 VanDerWaalsContact O-N 3.16Å; F177-M184 HydrophobicContact CD1-CE 4.4Å; F177-M184 HydrophobicContact CE1-CE 3.26Å; F177-M184 HydrophobicContact CE1-SD 4.23Å; F177-M184 HydrophobicContact CE2-CE 4.09Å; F177-M184 HydrophobicContact CE2-CG 4.27Å; F177-M184 HydrophobicContact CE2-SD 4.11Å; F177-M184 HydrophobicContact CZ-CE 3.07Å; F177-M184 HydrophobicContact CZ-CG 4.07Å; F177-M184 HydrophobicContact CZ-SD 3.42Å; F177-M184 WeakPolarHBondContact CZ-SD 3.26Å
178	A	39.1	Very low	41.1	Very low	112 Å²	112	72.2 Å²	72.2	93%	0.926	37%	0.366	S	S	*	.	S	Bend	trans	-57.6	-26.1	170.8	0	0	0	0	0	111.2	I176 P180	I176-A178 PolarHBondContact O-N 2.8Å; A178-P180 WeakPolarHBondContact O-CD 3.25Å
179	N	42.1	Very low	42	Very low	66 Å²	66	69.5 Å²	69.5	35%	0.353	35%	0.352	S	S	.	.	S	Bend	trans	-103.3	107.3	176.2	-160.9	-21	0	0	0	110.7	F177 D181 I182	F177-N179 WeakPolarHBondContact CB-O 3.5Å; F177-N179 PolarHBondContact O-N 3.06Å; F177-N179 VanDerWaalsContact O-N 3.16Å; N179-D181 PolarHBondContact O-N 3.49Å; N179-D181 VanDerWaalsContact O-N 3.15Å; N179-D181 PolarHBondContact OD1-N 2.85Å; N179-D181 PolarHBondContact OD1-OD2 2.92Å; N179-I182 HydrophobicContact CB-CD1 4.49Å
180	P	43.9	Very low	43.2	Very low	57 Å²	57	65.5 Å²	65.5	37%	0.37	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	0.7	-174.2	32.5	-38.6	0	0	0	114.6	A178 C268	A178-P180 WeakPolarHBondContact O-CD 3.25Å; P180-C268 HydrophobicContact CB-CB 3.53Å; P180-C268 HydrophobicContact CG-CB 3.3Å
181	D	46.6	Very low	44.3	Very low	27 Å²	27	60.9 Å²	60.9	14%	0.144	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-5.6	-177.3	-58	-30.4	0	0	0	114.1	N179 N269 I270	N179-D181 PolarHBondContact O-N 3.49Å; N179-D181 VanDerWaalsContact O-N 3.15Å; N179-D181 PolarHBondContact OD1-N 2.85Å; N179-D181 PolarHBondContact OD1-OD2 2.92Å; D181-N269 VanDerWaalsContact CG-C 3.42Å; D181-N269 VanDerWaalsContact OD1-CA 3.26Å; D181-N269 WeakPolarHBondContact OD1-CA 3.4Å; D181-N269 PolarHBondContact OD1-N 3.29Å; D181-I270 WeakPolarHBondContact CB-O 3Å; D181-I270 PolarHBondContact OD1-N 3.41Å; D181-I270 PolarHBondContact OD2-N 3.49Å; D181-I270 VanDerWaalsContact OD2-N 3.14Å
182	I	43.3	Very low	45.3	Very low	50 Å²	50	51.9 Å²	51.9	26%	0.256	28%	0.281	S	S	.	.			trans	-96.7	103.3	-178.5	-59.2	-177	0	0	0	108.9	N179 M184 L228	N179-I182 HydrophobicContact CB-CD1 4.49Å; I182-M184 HydrophobicContact CG2-CE 4.42Å; I182-L228 HydrophobicContact CG2-CD2 3.2Å
183	H	42.8	Very low	46.5	Very low	59 Å²	59	49.7 Å²	49.7	27%	0.273	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	123.9	173.1	-61.6	-67.7	0	0	0	111.1	F229	H183-F229 PolarHBondContact O-N 3.48Å
184	M	46.2	Very low	47.6	Very low	17 Å²	17	50.7 Å²	50.7	8%	0.084	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	121.4	170.3	-65.2	-164.9	-173.8	0	0	110.3	F177 I182 L226 L228	F177-M184 HydrophobicContact CD1-CE 4.4Å; F177-M184 HydrophobicContact CE1-CE 3.26Å; F177-M184 HydrophobicContact CE1-SD 4.23Å; F177-M184 HydrophobicContact CE2-CE 4.09Å; F177-M184 HydrophobicContact CE2-CG 4.27Å; F177-M184 HydrophobicContact CE2-SD 4.11Å; F177-M184 HydrophobicContact CZ-CE 3.07Å; F177-M184 HydrophobicContact CZ-CG 4.07Å; F177-M184 HydrophobicContact CZ-SD 3.42Å; F177-M184 WeakPolarHBondContact CZ-SD 3.26Å; I182-M184 HydrophobicContact CG2-CE 4.42Å; M184-L226 HydrophobicContact SD-CD1 4.13Å; M184-L228 HydrophobicContact CE-CD1 4.33Å; M184-L228 HydrophobicContact CE-CD2 4.26Å; M184-L228 HydrophobicContact CE-CG 4.44Å; M184-L228 HydrophobicContact CG-CD2 4.29Å; M184-L228 HydrophobicContact CG-CG 4.16Å
185	R	47.2	Very low	48.7	Very low	59 Å²	59	52.4 Å²	52.4	22%	0.223	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	127.9	167	176.1	-177.9	-88.6	-173.7	-20.3	108.8	T187 L226 Q227 F229	R185-T187 HydrophobicContact CG-CG2 4.41Å; R185-T187 PolarHBondContact O-N 3.47Å; R185-L226 WeakPolarHBondContact O-CA 3.45Å; R185-Q227 PolarHBondContact N-O 2.87Å; R185-Q227 PolarHBondContact O-N 3.19Å; R185-F229 HydrophobicContact CB-CD2 4.03Å; R185-F229 HydrophobicContact CB-CE2 3.75Å; R185-F229 HydrophobicContact CG-CE2 4.43Å
186	V	51.6	Low	49.6	Very low	12 Å²	12	58.9 Å²	58.9	7%	0.073	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	114.5	163.5	-172	0	0	0	0	107.3	L203 L224 E225 L226 H242	V186-L203 HydrophobicContact CB-CD1 3.75Å; V186-L203 HydrophobicContact CG1-CD1 3.57Å; V186-L203 WeakPolarHBondContact O-CD1 3.37Å; V186-L224 HydrophobicContact CG1-CD2 3.45Å; V186-L224 VanDerWaalsContact CG1-CD2 3.45Å; V186-L224 HydrophobicContact CG2-CD2 4.27Å; V186-E225 CarbonylContact C-O 3.54Å; V186-L226 HydrophobicContact CB-CD2 4.32Å; V186-L226 HydrophobicContact CG2-CD2 3.66Å; V186-H242 HydrophobicContact CG2-CB 4.26Å
187	T	54.8	Low	50.4	Low	4 Å²	4	55.4 Å²	55.4	3%	0.025	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-37.8	176.5	53.1	0	0	0	0	111.4	R185 L203 E225 Q227	R185-T187 HydrophobicContact CG-CG2 4.41Å; R185-T187 PolarHBondContact O-N 3.47Å; T187-L203 PolarHBondContact O-N 3.32Å; T187-E225 PolarHBondContact N-O 2.8Å; T187-E225 PolarHBondContact OG1-O 2.91Å; T187-Q227 HydrophobicContact CG2-CB 3.54Å
188	K	55.5	Low	51.5	Low	70 Å²	70	58 Å²	58	30%	0.304	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	139.5	178	-59.1	-173.4	178.3	178.5	0	111.7	L200 F201 D202 L224 E225	K188-L200 HydrophobicContact CD-CD2 4.36Å; K188-F201 VanDerWaalsContact CA-O 3.29Å; K188-F201 WeakPolarHBondContact CA-O 3.47Å; K188-D202 WeakPolarHBondContact CE-OD2 3.13Å; K188-D202 IonicContact NZ-OD2 2.95Å; K188-L224 WeakPolarHBondContact O-CA 3.14Å; K188-E225 HydrophobicContact CB-CB 4.07Å; K188-E225 HydrophobicContact CB-CG 4.44Å; K188-E225 WeakPolarHBondContact CD-OE2 3.38Å; K188-E225 PolarHBondContact N-O 2.94Å; K188-E225 PolarHBondContact O-N 2.96Å
189	L	54.5	Low	52.6	Low	19 Å²	19	57.9 Å²	57.9	10%	0.099	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	120.9	168.2	173.3	88.7	0	0	0	107.6	F201 R223 L224 L244	L189-F201 HydrophobicContact CB-CB 4.24Å; L189-F201 HydrophobicContact CB-CD2 4.47Å; L189-F201 HydrophobicContact CD2-CD2 3.68Å; L189-F201 HydrophobicContact CD2-CE2 4.24Å; L189-F201 HydrophobicContact CD2-CG 4.38Å; L189-F201 HydrophobicContact CG-CD2 4.29Å; L189-F201 PolarHBondContact N-O 2.95Å; L189-F201 PolarHBondContact O-N 3.37Å; L189-R223 CarbonylContact C-O 3.43Å; L189-L224 HydrophobicContact CB-CD2 4.31Å; L189-L224 HydrophobicContact CD1-CD2 3.42Å; L189-L224 VanDerWaalsContact CD1-CD2 3.42Å; L189-L224 HydrophobicContact CD1-CG 4.17Å; L189-L224 HydrophobicContact CG-CD2 4.48Å; L189-L244 HydrophobicContact CD1-CD1 3.99Å
190	A	61	Low	53.3	Low	6 Å²	6	59.9 Å²	59.9	5%	0.05	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	126.8	172.3	0	0	0	0	0	110	P197 R199 L200 F222 R223	A190-P197 HydrophobicContact CB-CB 4.4Å; A190-R199 CarbonylContact C-O 3.6Å; A190-R199 VanDerWaalsContact CA-O 3.28Å; A190-R199 WeakPolarHBondContact CA-O 3.39Å; A190-L200 HydrophobicContact CB-CD2 3.98Å; A190-L200 HydrophobicContact CB-CG 3.84Å; A190-F222 CarbonylContact O-C 3.49Å; A190-F222 WeakPolarHBondContact O-CA 3.36Å; A190-R223 HydrophobicContact CB-CB 4.22Å; A190-R223 PolarHBondContact N-O 2.79Å; A190-R223 PolarHBondContact O-N 3.36Å
191	V	59.2	Low	54.1	Low	9 Å²	9	58.9 Å²	58.9	6%	0.055	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	122.8	172	-174.1	0	0	0	0	107.8	P197 V198 R199 F201 A219 F222	V191-P197 CarbonylContact O-C 3.51Å; V191-V198 PolarHBondContact O-N 3.08Å; V191-R199 HydrophobicContact CB-CB 4.21Å; V191-R199 HydrophobicContact CG2-CB 4.26Å; V191-R199 PolarHBondContact N-O 2.82Å; V191-R199 PolarHBondContact O-N 3.37Å; V191-F201 HydrophobicContact CG2-CE2 3.98Å; V191-A219 HydrophobicContact CG1-CB 3.35Å; V191-F222 HydrophobicContact CB-CD1 4.19Å; V191-F222 HydrophobicContact CB-CE1 4.04Å; V191-F222 HydrophobicContact CG1-CD1 4.14Å; V191-F222 HydrophobicContact CG1-CE1 3.6Å; V191-F222 HydrophobicContact CG1-CZ 4.32Å; V191-F222 HydrophobicContact CG2-CD1 3.82Å; V191-F222 HydrophobicContact CG2-CE1 3.66Å
192	L	54.5	Low	54.7	Low	4 Å²	4	59.4 Å²	59.4	2%	0.021	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	134.9	-175.1	-61.1	131.2	0	0	0	111.2	D195 R196 P197 T220 H221 R223	L192-D195 VanDerWaalsContact CD2-O 3.31Å; L192-D195 WeakPolarHBondContact CD2-O 3.46Å; L192-R196 VanDerWaalsContact CA-O 3.3Å; L192-R196 WeakPolarHBondContact CA-O 3.28Å; L192-P197 HydrophobicContact CD2-CB 4.2Å; L192-T220 PolarHBondContact O-N 3.03Å; L192-T220 PolarHBondContact O-OG1 3.41Å; L192-T220 VanDerWaalsContact O-OG1 3.06Å; L192-H221 HydrophobicContact CB-CB 4.06Å; L192-H221 WeakPolarHBondContact CB-O 3.42Å; L192-H221 HydrophobicContact CD1-CB 3.97Å; L192-H221 PolarHBondContact N-O 3.3Å; L192-H221 PolarHBondContact O-N 2.93Å; L192-H221 VanDerWaalsContact O-N 3.12Å; L192-R223 HydrophobicContact CD1-CB 3.6Å
193	I	56.1	Low	55.4	Low	51 Å²	51	58.7 Å²	58.7	26%	0.262	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124.6	166	-55.3	-177.9	0	0	0	105.8	D195 R196 V198 N217	I193-D195 VanDerWaalsContact C-N 3.31Å; I193-D195 PolarHBondContact O-N 3.36Å; I193-R196 PolarHBondContact N-O 2.94Å; I193-R196 PolarHBondContact O-N 3.29Å; I193-V198 HydrophobicContact CB-CG2 3.69Å; I193-V198 HydrophobicContact CD1-CB 4.37Å; I193-V198 HydrophobicContact CD1-CG1 4.34Å; I193-V198 HydrophobicContact CD1-CG2 3.84Å; I193-V198 HydrophobicContact CG1-CB 4.32Å; I193-V198 HydrophobicContact CG1-CG2 3.61Å; I193-N217 VanDerWaalsContact CD1-O 3.29Å; I193-N217 WeakPolarHBondContact CD1-O 3.38Å
194	D	57	Low	55.9	Low	132 Å²	132	59.7 Å²	59.7	71%	0.706	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	49.6	-175.6	-59.2	-30.8	0	0	0	113.1	R196 T220	D194-R196 PolarHBondContact O-N 3.17Å; D194-T220 PolarHBondContact N-OG1 3.19Å
195	D	55.6	Low	56.4	Low	107 Å²	107	64.6 Å²	64.6	57%	0.572	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	7.5	-177.8	-74.6	-39.7	0	0	0	116.4	L192 I193 H221	L192-D195 VanDerWaalsContact CD2-O 3.31Å; L192-D195 WeakPolarHBondContact CD2-O 3.46Å; I193-D195 VanDerWaalsContact C-N 3.31Å; I193-D195 PolarHBondContact O-N 3.36Å; D195-H221 IonicContact OD1-ND1 3.16Å
196	R	56	Low	56.5	Low	198 Å²	198	64.8 Å²	64.8	75%	0.747	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	128.2	172.7	-65.9	-173	178.6	-168.6	0.5	110.4	L192 I193 D194 V198	L192-R196 VanDerWaalsContact CA-O 3.3Å; L192-R196 WeakPolarHBondContact CA-O 3.28Å; I193-R196 PolarHBondContact N-O 2.94Å; I193-R196 PolarHBondContact O-N 3.29Å; D194-R196 PolarHBondContact O-N 3.17Å; R196-V198 PolarHBondContact O-N 2.82Å; R196-V198 VanDerWaalsContact O-N 3.13Å
197	P	54.3	Low	56.4	Low	73 Å²	73	69.7 Å²	69.7	47%	0.474	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	111.8	-179.5	26.9	-32	0	0	0	109.4	A190 V191 L192 L200	A190-P197 HydrophobicContact CB-CB 4.4Å; V191-P197 CarbonylContact O-C 3.51Å; L192-P197 HydrophobicContact CD2-CB 4.2Å; P197-L200 HydrophobicContact CB-CD1 4Å; P197-L200 HydrophobicContact CG-CD1 4.41Å
198	V	61.2	Low	56.2	Low	86 Å²	86	70.7 Å²	70.7	52%	0.521	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-35.3	179.9	179.3	0	0	0	0	111.1	V191 I193 R196	V191-V198 PolarHBondContact O-N 3.08Å; I193-V198 HydrophobicContact CB-CG2 3.69Å; I193-V198 HydrophobicContact CD1-CB 4.37Å; I193-V198 HydrophobicContact CD1-CG1 4.34Å; I193-V198 HydrophobicContact CD1-CG2 3.84Å; I193-V198 HydrophobicContact CG1-CB 4.32Å; I193-V198 HydrophobicContact CG1-CG2 3.61Å; R196-V198 PolarHBondContact O-N 2.82Å; R196-V198 VanDerWaalsContact O-N 3.13Å
199	R	61.1	Low	55.8	Low	110 Å²	110	70.4 Å²	70.4	42%	0.415	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	131.4	173.9	-70.3	-176.5	174	164.9	-4	110.3	A190 V191 F201 A215	A190-R199 CarbonylContact C-O 3.6Å; A190-R199 VanDerWaalsContact CA-O 3.28Å; A190-R199 WeakPolarHBondContact CA-O 3.39Å; V191-R199 HydrophobicContact CB-CB 4.21Å; V191-R199 HydrophobicContact CG2-CB 4.26Å; V191-R199 PolarHBondContact N-O 2.82Å; V191-R199 PolarHBondContact O-N 3.37Å; R199-F201 HydrophobicContact CB-CE2 3.9Å; R199-F201 HydrophobicContact CB-CZ 4.26Å; R199-A215 PolarHBondContact NH1-O 2.95Å
200	L	58.1	Low	55.5	Low	108 Å²	108	75.9 Å²	75.9	57%	0.565	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.6	121.6	176.5	-106.8	145.3	0	0	0	108.3	K188 A190 P197	K188-L200 HydrophobicContact CD-CD2 4.36Å; A190-L200 HydrophobicContact CB-CD2 3.98Å; A190-L200 HydrophobicContact CB-CG 3.84Å; P197-L200 HydrophobicContact CB-CD1 4Å; P197-L200 HydrophobicContact CG-CD1 4.41Å
201	F	60.2	Low	54.7	Low	35 Å²	35	77.1 Å²	77.1	15%	0.154	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	113.1	174.3	-58.9	-86.1	0	0	0	107.7	K188 L189 V191 R199 V208 V214	K188-F201 VanDerWaalsContact CA-O 3.29Å; K188-F201 WeakPolarHBondContact CA-O 3.47Å; L189-F201 HydrophobicContact CB-CB 4.24Å; L189-F201 HydrophobicContact CB-CD2 4.47Å; L189-F201 HydrophobicContact CD2-CD2 3.68Å; L189-F201 HydrophobicContact CD2-CE2 4.24Å; L189-F201 HydrophobicContact CD2-CG 4.38Å; L189-F201 HydrophobicContact CG-CD2 4.29Å; L189-F201 PolarHBondContact N-O 2.95Å; L189-F201 PolarHBondContact O-N 3.37Å; V191-F201 HydrophobicContact CG2-CE2 3.98Å; R199-F201 HydrophobicContact CB-CE2 3.9Å; R199-F201 HydrophobicContact CB-CZ 4.26Å; F201-V208 HydrophobicContact CB-CG2 3.95Å; F201-V208 HydrophobicContact CD1-CG2 3.56Å; F201-V208 HydrophobicContact CE1-CG2 4.44Å; F201-V208 HydrophobicContact CG-CG2 4.09Å; F201-V214 HydrophobicContact CE1-CG2 4.22Å; F201-V214 HydrophobicContact CE2-CG1 3.86Å; F201-V214 HydrophobicContact CE2-CG2 4.42Å; F201-V214 HydrophobicContact CZ-CB 4.39Å; F201-V214 HydrophobicContact CZ-CG1 3.52Å; F201-V214 HydrophobicContact CZ-CG2 3.9Å
202	D	59.2	Low	54.2	Low	38 Å²	38	80.7 Å²	80.7	20%	0.203	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	105.2	168.5	-157.7	-29.4	0	0	0	108	K188 N204 N205	K188-D202 WeakPolarHBondContact CE-OD2 3.13Å; K188-D202 IonicContact NZ-OD2 2.95Å; D202-N204 PolarHBondContact O-N 3.36Å; D202-N204 WeakPolarHBondContact OD1-CB 3.26Å; D202-N204 PolarHBondContact OD1-N 2.89Å; D202-N205 PolarHBondContact O-N 2.79Å
203	L	56.5	Low	53.9	Low	36 Å²	36	83.5 Å²	83.5	19%	0.188	46%	0.457	C	S	.	.	G	3₁₀ helix	trans	-74.5	-16.3	-176.2	-70.2	161	0	0	0	111.4	V186 T187 V208	V186-L203 HydrophobicContact CB-CD1 3.75Å; V186-L203 HydrophobicContact CG1-CD1 3.57Å; V186-L203 WeakPolarHBondContact O-CD1 3.37Å; T187-L203 PolarHBondContact O-N 3.32Å; L203-V208 HydrophobicContact CD2-CB 3.79Å; L203-V208 HydrophobicContact CD2-CG1 4.35Å; L203-V208 HydrophobicContact CD2-CG2 3.94Å
204	N	55	Low	53.8	Low	80 Å²	80	81.8 Å²	81.8	43%	0.428	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-73.3	-27.5	176.6	-69.5	-28.3	0	0	0	112.9	D202	D202-N204 PolarHBondContact O-N 3.36Å; D202-N204 WeakPolarHBondContact OD1-CB 3.26Å; D202-N204 PolarHBondContact OD1-N 2.89Å
205	N	55.8	Low	53.5	Low	120 Å²	120	77 Å²	77	64%	0.642	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-93.2	9.3	-175.3	-73	-4.5	0	0	0	113.8	D202 N207	D202-N205 PolarHBondContact O-N 2.79Å; N205-N207 VanDerWaalsContact C-N 3.34Å; N205-N207 PolarHBondContact O-N 3.45Å
206	G	48.8	Very low	53.2	Low	63 Å²	63	73 Å²	73	65%	0.649	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	15.3	175.2	0	0	0	0	0	115.4	V208	G206-V208 PolarHBondContact O-N 3.35Å
207	N	50	Low	53.1	Low	114 Å²	114	68.8 Å²	68.8	61%	0.61	40%	0.398	S	S	*	.			trans	-73.1	-7.8	-176.9	-82.2	-9.2	0	0	0	115	N205	N205-N207 VanDerWaalsContact C-N 3.34Å; N205-N207 PolarHBondContact O-N 3.45Å
208	V	49.5	Very low	52.8	Low	25 Å²	25	68.1 Å²	68.1	15%	0.152	40%	0.404	C	S	.	.	S	Bend	trans	-130.2	120.4	-178.6	-173.8	0	0	0	0	108.9	F201 L203 G206 Q212	F201-V208 HydrophobicContact CB-CG2 3.95Å; F201-V208 HydrophobicContact CD1-CG2 3.56Å; F201-V208 HydrophobicContact CE1-CG2 4.44Å; F201-V208 HydrophobicContact CG-CG2 4.09Å; L203-V208 HydrophobicContact CD2-CB 3.79Å; L203-V208 HydrophobicContact CD2-CG1 4.35Å; L203-V208 HydrophobicContact CD2-CG2 3.94Å; G206-V208 PolarHBondContact O-N 3.35Å; V208-Q212 HydrophobicContact CG1-CB 4.2Å
209	A	47.8	Very low	52.3	Low	65 Å²	65	64.8 Å²	64.8	54%	0.537	39%	0.386	S	S	.	.			trans	-79.2	151.1	173.4	0	0	0	0	0	110.6	G211 Q212	A209-G211 PolarHBondContact O-N 3.46Å; A209-Q212 VanDerWaalsContact N-OE1 3.08Å; A209-Q212 WeakPolarHBondContact O-CB 3.28Å; A209-Q212 PolarHBondContact O-N 3.42Å; A209-Q212 VanDerWaalsContact O-N 3.17Å
210	E	48.4	Very low	51.7	Low	134 Å²	134	61.5 Å²	61.5	63%	0.626	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	134	173.3	-141.3	-178.1	161.6	0	0	110.8	Q212 S263	E210-Q212 VanDerWaalsContact C-N 3.29Å; E210-Q212 PolarHBondContact O-N 3.3Å; E210-S263 WeakPolarHBondContact OE1-CB 3.49Å; E210-S263 PolarHBondContact OE1-OG 3.02Å
211	G	45.1	Very low	51.1	Low	31 Å²	31	58.3 Å²	58.3	32%	0.32	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	1.9	-177.1	0	0	0	0	0	115.9	A209 C213 V261	A209-G211 PolarHBondContact O-N 3.46Å; G211-C213 PolarHBondContact O-N 3.41Å; G211-V261 WeakPolarHBondContact CA-O 3.42Å; G211-V261 PolarHBondContact N-O 3.33Å
212	Q	47.7	Very low	50.8	Low	84 Å²	84	58.2 Å²	58.2	39%	0.393	36%	0.36	S	S	.	.			trans	-67.3	127.5	175.7	-169	174.8	0.2	0	0	110.9	V208 A209 E210	V208-Q212 HydrophobicContact CG1-CB 4.2Å; A209-Q212 VanDerWaalsContact N-OE1 3.08Å; A209-Q212 WeakPolarHBondContact O-CB 3.28Å; A209-Q212 PolarHBondContact O-N 3.42Å; A209-Q212 VanDerWaalsContact O-N 3.17Å; E210-Q212 VanDerWaalsContact C-N 3.29Å; E210-Q212 PolarHBondContact O-N 3.3Å
213	C	49.4	Very low	50.5	Low	64 Å²	64	60.2 Å²	60.2	43%	0.432	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	128.1	174.4	-63.9	0	0	0	0	110.5	G211 L258 V259	G211-C213 PolarHBondContact O-N 3.41Å; C213-L258 HydrophobicContact CB-CB 4.28Å; C213-L258 HydrophobicContact CB-CD2 3.83Å; C213-V259 WeakPolarHBondContact CA-O 3.38Å
214	V	52.7	Low	50.2	Low	14 Å²	14	59.6 Å²	59.6	9%	0.085	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	122.3	176	-178.7	0	0	0	0	109.8	F201 V259	F201-V214 HydrophobicContact CE1-CG2 4.22Å; F201-V214 HydrophobicContact CE2-CG1 3.86Å; F201-V214 HydrophobicContact CE2-CG2 4.42Å; F201-V214 HydrophobicContact CZ-CB 4.39Å; F201-V214 HydrophobicContact CZ-CG1 3.52Å; F201-V214 HydrophobicContact CZ-CG2 3.9Å; V214-V259 PolarHBondContact N-O 2.85Å; V214-V259 PolarHBondContact O-N 3.42Å
215	A	50.7	Low	50.1	Low	31 Å²	31	56.8 Å²	56.8	26%	0.256	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	131.5	174.2	0	0	0	0	0	111.2	R199 V256 L258	R199-A215 PolarHBondContact NH1-O 2.95Å; A215-V256 HydrophobicContact CB-CG1 3.78Å; A215-L258 HydrophobicContact CB-CD2 4.35Å
216	L	49.9	Very low	49.9	Very low	25 Å²	25	51.9 Å²	51.9	13%	0.131	32%	0.319	C	S	.	.			trans	-90.1	-6.1	-169	-66.4	-174.9	0	0	0	116.6	G218 A219 F222 G257 V259	L216-G218 VanDerWaalsContact C-N 3.33Å; L216-G218 PolarHBondContact O-N 3Å; L216-A219 HydrophobicContact CB-CB 4.3Å; L216-A219 WeakPolarHBondContact O-CB 3.22Å; L216-A219 PolarHBondContact O-N 2.89Å; L216-F222 HydrophobicContact CB-CZ 4.5Å; L216-F222 HydrophobicContact CD1-CE1 4.5Å; L216-F222 HydrophobicContact CD1-CE2 4.17Å; L216-F222 HydrophobicContact CD1-CZ 3.55Å; L216-F222 HydrophobicContact CD2-CE1 3.27Å; L216-F222 HydrophobicContact CD2-CE2 4.42Å; L216-F222 HydrophobicContact CD2-CZ 3.17Å; L216-F222 HydrophobicContact CG-CE1 4.42Å; L216-F222 HydrophobicContact CG-CZ 3.86Å; L216-G257 WeakPolarHBondContact CB-O 3.32Å; L216-G257 VanDerWaalsContact CG-O 3.28Å; L216-G257 WeakPolarHBondContact CG-O 3.41Å; L216-G257 PolarHBondContact N-O 3.04Å; L216-V259 HydrophobicContact CD1-CG2 3.55Å; L216-V259 HydrophobicContact CD2-CG2 3.92Å; L216-V259 HydrophobicContact CG-CG2 3.94Å
217	N	53.2	Low	49.9	Very low	108 Å²	108	50.5 Å²	50.5	58%	0.578	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	25	55.9	170.4	-67.4	9.8	0	0	0	117.1	I193	I193-N217 VanDerWaalsContact CD1-O 3.29Å; I193-N217 WeakPolarHBondContact CD1-O 3.38Å
218	G	49.1	Very low	49.8	Very low	59 Å²	59	46.7 Å²	46.7	61%	0.608	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	17.5	176.9	0	0	0	0	0	116	L216 T220	L216-G218 VanDerWaalsContact C-N 3.33Å; L216-G218 PolarHBondContact O-N 3Å; G218-T220 PolarHBondContact O-N 3.47Å
219	A	50	Low	49.6	Very low	16 Å²	16	47.5 Å²	47.5	13%	0.132	28%	0.277	C	S	.	.			trans	-53.3	126.1	173.1	0	0	0	0	0	111.7	V191 L216 F222	V191-A219 HydrophobicContact CG1-CB 3.35Å; L216-A219 HydrophobicContact CB-CB 4.3Å; L216-A219 WeakPolarHBondContact O-CB 3.22Å; L216-A219 PolarHBondContact O-N 2.89Å; A219-F222 HydrophobicContact CB-CE1 4.18Å; A219-F222 HydrophobicContact CB-CE2 4.4Å; A219-F222 HydrophobicContact CB-CZ 3.73Å
220	T	48.2	Very low	49.5	Very low	41 Å²	41	46.1 Å²	46.1	25%	0.252	27%	0.265	S	S	.	.			trans	-90.5	-36.3	174.9	57.7	0	0	0	0	111	L192 D194 G218 C284	L192-T220 PolarHBondContact O-N 3.03Å; L192-T220 PolarHBondContact O-OG1 3.41Å; L192-T220 VanDerWaalsContact O-OG1 3.06Å; D194-T220 PolarHBondContact N-OG1 3.19Å; G218-T220 PolarHBondContact O-N 3.47Å; T220-C284 PolarHBondContact O-N 2.92Å; T220-C284 VanDerWaalsContact O-N 3.14Å
221	H	45.6	Very low	49.2	Very low	41 Å²	41	45.9 Å²	45.9	19%	0.19	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	157.6	-176.3	-55.9	82.4	0	0	0	111.6	L192 D195 I281 M282 T283	L192-H221 HydrophobicContact CB-CB 4.06Å; L192-H221 WeakPolarHBondContact CB-O 3.42Å; L192-H221 HydrophobicContact CD1-CB 3.97Å; L192-H221 PolarHBondContact N-O 3.3Å; L192-H221 PolarHBondContact O-N 2.93Å; L192-H221 VanDerWaalsContact O-N 3.12Å; D195-H221 IonicContact OD1-ND1 3.16Å; H221-I281 HydrophobicContact CB-CG2 4.18Å; H221-M282 VanDerWaalsContact CA-O 3.23Å; H221-M282 WeakPolarHBondContact CA-O 3.37Å; H221-M282 WeakPolarHBondContact CB-O 3.06Å; H221-T283 WeakPolarHBondContact NE2-CG2 3.25Å
222	F	53.4	Low	48.9	Very low	34 Å²	34	53.6 Å²	53.6	15%	0.149	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	139.5	163.9	-59.2	-85.2	0	0	0	109.2	A190 V191 L216 A219 I281 M282	A190-F222 CarbonylContact O-C 3.49Å; A190-F222 WeakPolarHBondContact O-CA 3.36Å; V191-F222 HydrophobicContact CB-CD1 4.19Å; V191-F222 HydrophobicContact CB-CE1 4.04Å; V191-F222 HydrophobicContact CG1-CD1 4.14Å; V191-F222 HydrophobicContact CG1-CE1 3.6Å; V191-F222 HydrophobicContact CG1-CZ 4.32Å; V191-F222 HydrophobicContact CG2-CD1 3.82Å; V191-F222 HydrophobicContact CG2-CE1 3.66Å; L216-F222 HydrophobicContact CB-CZ 4.5Å; L216-F222 HydrophobicContact CD1-CE1 4.5Å; L216-F222 HydrophobicContact CD1-CE2 4.17Å; L216-F222 HydrophobicContact CD1-CZ 3.55Å; L216-F222 HydrophobicContact CD2-CE1 3.27Å; L216-F222 HydrophobicContact CD2-CE2 4.42Å; L216-F222 HydrophobicContact CD2-CZ 3.17Å; L216-F222 HydrophobicContact CG-CE1 4.42Å; L216-F222 HydrophobicContact CG-CZ 3.86Å; A219-F222 HydrophobicContact CB-CE1 4.18Å; A219-F222 HydrophobicContact CB-CE2 4.4Å; A219-F222 HydrophobicContact CB-CZ 3.73Å; F222-I281 WeakPolarHBondContact O-CA 3.45Å; F222-M282 PolarHBondContact N-O 3.03Å; F222-M282 VanDerWaalsContact N-O 3.14Å; F222-M282 PolarHBondContact O-N 2.91Å
223	R	52.8	Low	48.5	Very low	80 Å²	80	57.5 Å²	57.5	30%	0.302	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.5	168.8	169.6	-178	-84.6	163.1	-5.4	109.5	L189 A190 L192 L280	L189-R223 CarbonylContact C-O 3.43Å; A190-R223 HydrophobicContact CB-CB 4.22Å; A190-R223 PolarHBondContact N-O 2.79Å; A190-R223 PolarHBondContact O-N 3.36Å; L192-R223 HydrophobicContact CD1-CB 3.6Å; R223-L280 VanDerWaalsContact CA-O 3.24Å; R223-L280 WeakPolarHBondContact CA-O 3.29Å
224	L	51.8	Low	48	Very low	22 Å²	22	58.6 Å²	58.6	12%	0.115	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	127.9	172.3	-69.6	159.3	0	0	0	108.5	V186 K188 L189 L244 R279 L280	V186-L224 HydrophobicContact CG1-CD2 3.45Å; V186-L224 VanDerWaalsContact CG1-CD2 3.45Å; V186-L224 HydrophobicContact CG2-CD2 4.27Å; K188-L224 WeakPolarHBondContact O-CA 3.14Å; L189-L224 HydrophobicContact CB-CD2 4.31Å; L189-L224 HydrophobicContact CD1-CD2 3.42Å; L189-L224 VanDerWaalsContact CD1-CD2 3.42Å; L189-L224 HydrophobicContact CD1-CG 4.17Å; L189-L224 HydrophobicContact CG-CD2 4.48Å; L224-L244 HydrophobicContact CD1-CD1 4.26Å; L224-L244 HydrophobicContact CD2-CD1 3.96Å; L224-R279 WeakPolarHBondContact O-CA 3.45Å; L224-L280 PolarHBondContact N-O 3.37Å; L224-L280 PolarHBondContact O-N 3.09Å
225	E	53.2	Low	47.2	Very low	22 Å²	22	60.1 Å²	60.1	10%	0.103	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	117.1	160.3	-71.6	-169.4	161	0	0	108.2	V186 T187 K188 R279	V186-E225 CarbonylContact C-O 3.54Å; T187-E225 PolarHBondContact N-O 2.8Å; T187-E225 PolarHBondContact OG1-O 2.91Å; K188-E225 HydrophobicContact CB-CB 4.07Å; K188-E225 HydrophobicContact CB-CG 4.44Å; K188-E225 WeakPolarHBondContact CD-OE2 3.38Å; K188-E225 PolarHBondContact N-O 2.94Å; K188-E225 PolarHBondContact O-N 2.96Å; E225-R279 HydrophobicContact CG-CG 3.86Å; E225-R279 IonicContact OE1-CZ 3.81Å; E225-R279 VanDerWaalsContact OE1-CZ 3.32Å; E225-R279 IonicContact OE1-NE 3.39Å; E225-R279 PolarHBondContact OE1-NE 2.8Å; E225-R279 IonicContact OE1-NH2 3.19Å; E225-R279 PolarHBondContact OE1-NH2 2.99Å
226	L	49.8	Very low	46.4	Very low	16 Å²	16	64 Å²	64	8%	0.084	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	136.8	177.2	-61.5	166.4	0	0	0	108.7	M184 R185 V186 I278 L280	M184-L226 HydrophobicContact SD-CD1 4.13Å; R185-L226 WeakPolarHBondContact O-CA 3.45Å; V186-L226 HydrophobicContact CB-CD2 4.32Å; V186-L226 HydrophobicContact CG2-CD2 3.66Å; L226-I278 PolarHBondContact N-O 3.25Å; L226-I278 PolarHBondContact O-N 3.01Å; L226-L280 HydrophobicContact CD1-CD1 4.05Å
227	Q	50.1	Low	45.5	Very low	35 Å²	35	65.9 Å²	65.9	16%	0.164	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.7	169.6	-166.2	173.8	7.7	0	0	108.8	R185 T187 F229	R185-Q227 PolarHBondContact N-O 2.87Å; R185-Q227 PolarHBondContact O-N 3.19Å; T187-Q227 HydrophobicContact CG2-CB 3.54Å; Q227-F229 HydrophobicContact CB-CE2 3.86Å; Q227-F229 HydrophobicContact CB-CZ 4.31Å; Q227-F229 VanDerWaalsContact CD-CZ 3.44Å; Q227-F229 HydrophobicContact CG-CD2 4.49Å; Q227-F229 HydrophobicContact CG-CE2 3.78Å; Q227-F229 HydrophobicContact CG-CZ 3.8Å; Q227-F229 WeakPolarHBondContact O-CD2 3.48Å
228	L	48	Very low	44.5	Very low	34 Å²	34	63.2 Å²	63.2	18%	0.178	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	132.6	175.1	-89.4	127.9	0	0	0	110.7	I182 M184 I278	I182-L228 HydrophobicContact CG2-CD2 3.2Å; M184-L228 HydrophobicContact CE-CD1 4.33Å; M184-L228 HydrophobicContact CE-CD2 4.26Å; M184-L228 HydrophobicContact CE-CG 4.44Å; M184-L228 HydrophobicContact CG-CD2 4.29Å; M184-L228 HydrophobicContact CG-CG 4.16Å; L228-I278 HydrophobicContact CD1-CD1 4.11Å
229	F	44.7	Very low	43.5	Very low	42 Å²	42	67 Å²	67	18%	0.184	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.6	174.9	-66.7	-87.1	0	0	0	110.4	H183 R185 Q227	H183-F229 PolarHBondContact O-N 3.48Å; R185-F229 HydrophobicContact CB-CD2 4.03Å; R185-F229 HydrophobicContact CB-CE2 3.75Å; R185-F229 HydrophobicContact CG-CE2 4.43Å; Q227-F229 HydrophobicContact CB-CE2 3.86Å; Q227-F229 HydrophobicContact CB-CZ 4.31Å; Q227-F229 VanDerWaalsContact CD-CZ 3.44Å; Q227-F229 HydrophobicContact CG-CD2 4.49Å; Q227-F229 HydrophobicContact CG-CE2 3.78Å; Q227-F229 HydrophobicContact CG-CZ 3.8Å; Q227-F229 WeakPolarHBondContact O-CD2 3.48Å
230	A	46.9	Very low	42.7	Very low	35 Å²	35	70.3 Å²	70.3	29%	0.289	36%	0.362	S	S	.	.			trans	-137.3	77.5	168.5	0	0	0	0	0	108.6	V272	A230-V272 WeakPolarHBondContact CB-O 3.43Å
231	K	41.9	Very low	42.1	Very low	129 Å²	129	71.6 Å²	71.6	56%	0.561	37%	0.366	S	S	*	.			trans	-142.4	124.3	172.3	-108.9	-168.3	177	-168.1	0	111.3	E233 I234 A235	K231-E233 VanDerWaalsContact C-N 3.29Å; K231-E233 PolarHBondContact O-N 3.05Å; K231-I234 HydrophobicContact CB-CD1 4.42Å; K231-I234 HydrophobicContact CB-CG1 4.22Å; K231-I234 HydrophobicContact CD-CD1 4.4Å; K231-I234 PolarHBondContact O-N 2.76Å; K231-A235 WeakPolarHBondContact O-CB 3.46Å; K231-A235 PolarHBondContact O-N 3.34Å
232	R	37.8	Very low	41.6	Very low	194 Å²	194	71.4 Å²	71.4	73%	0.732	37%	0.365	S	S	*	.	H	α-helix	trans	-56.2	-37.2	178.9	-126.1	179.2	-167.9	179.9	5	113.5	N269	R232-N269 PolarHBondContact NH2-OD1 2.94Å
233	E	39.6	Very low	40.8	Very low	166 Å²	166	72.2 Å²	72.2	78%	0.776	37%	0.373	S	S	*	.	H	α-helix	trans	-78.8	-25.9	-175.5	-69.5	176.4	169.6	0	0	113.9	K231 S236	K231-E233 VanDerWaalsContact C-N 3.29Å; K231-E233 PolarHBondContact O-N 3.05Å; E233-S236 PolarHBondContact O-OG 3.43Å
234	I	38.4	Very low	40.1	Very low	87 Å²	87	69.9 Å²	69.9	45%	0.446	37%	0.366	S	S	.	.	H	α-helix	trans	-91.2	-24.1	175.3	-38.9	-178.8	0	0	0	110.1	K231 S236 G237 L238	K231-I234 HydrophobicContact CB-CD1 4.42Å; K231-I234 HydrophobicContact CB-CG1 4.22Å; K231-I234 HydrophobicContact CD-CD1 4.4Å; K231-I234 PolarHBondContact O-N 2.76Å; I234-S236 VanDerWaalsContact C-N 3.32Å; I234-S236 PolarHBondContact O-N 2.94Å; I234-G237 PolarHBondContact O-N 3.31Å; I234-L238 HydrophobicContact CB-CD1 4.12Å; I234-L238 HydrophobicContact CG2-CD1 3.3Å; I234-L238 HydrophobicContact CG2-CG 4.13Å; I234-L238 VanDerWaalsContact O-CG 3.32Å; I234-L238 WeakPolarHBondContact O-CG 3.12Å
235	A	35.6	Very low	39.4	Very low	46 Å²	46	70.6 Å²	70.6	38%	0.38	38%	0.376	S	S	.	.	H	α-helix	trans	-66.3	-27.9	-178.5	0	0	0	0	0	113.8	K231 G237 L238	K231-A235 WeakPolarHBondContact O-CB 3.46Å; K231-A235 PolarHBondContact O-N 3.34Å; A235-G237 PolarHBondContact O-N 3.32Å; A235-L238 PolarHBondContact O-N 3.46Å; A235-L238 VanDerWaalsContact O-N 3.17Å
236	S	34.4	Very low	38.6	Very low	113 Å²	113	72.7 Å²	72.7	79%	0.79	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-13.4	178.2	58.1	0	0	0	0	113.6	E233 I234	E233-S236 PolarHBondContact O-OG 3.43Å; I234-S236 VanDerWaalsContact C-N 3.32Å; I234-S236 PolarHBondContact O-N 2.94Å
237	G	31.4	Very low	37.8	Very low	63 Å²	63	79 Å²	79	65%	0.649	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.8	-2.4	174.9	0	0	0	0	0	116.3	I234 A235	I234-G237 PolarHBondContact O-N 3.31Å; A235-G237 PolarHBondContact O-N 3.32Å
238	L	31.5	Very low	37.2	Very low	52 Å²	52	82.3 Å²	82.3	27%	0.272	45%	0.448	S	S	.	.			trans	-114.1	88.5	-163.6	-73.7	179.9	0	0	0	114.1	I234 A235 F240	I234-L238 HydrophobicContact CB-CD1 4.12Å; I234-L238 HydrophobicContact CG2-CD1 3.3Å; I234-L238 HydrophobicContact CG2-CG 4.13Å; I234-L238 VanDerWaalsContact O-CG 3.32Å; I234-L238 WeakPolarHBondContact O-CG 3.12Å; A235-L238 PolarHBondContact O-N 3.46Å; A235-L238 VanDerWaalsContact O-N 3.17Å; L238-F240 HydrophobicContact CD2-CD2 3.99Å; L238-F240 HydrophobicContact CD2-CE2 4.06Å
239	K	29.4	Very low	36.5	Very low	140 Å²	140	88.6 Å²	88.6	61%	0.609	48%	0.477	S	S	*	.			trans	-87.5	90.5	166.2	-69.1	177.1	176.1	-179.9	0	110.3	I265	K239-I265 HydrophobicContact CD-CD1 3.84Å; K239-I265 HydrophobicContact CD-CG1 4.08Å; K239-I265 HydrophobicContact CG-CG1 4.4Å
240	F	32.2	Very low	35.9	Very low	85 Å²	85	93.9 Å²	93.9	37%	0.373	51%	0.507	S	S	.	.			trans	-147.7	103.7	175.1	-71.3	-81	0	0	0	113	L238 H242	L238-F240 HydrophobicContact CD2-CD2 3.99Å; L238-F240 HydrophobicContact CD2-CE2 4.06Å; F240-H242 AromaticContact CD1-NE2 3.65Å
241	I	35.5	Very low	35.1	Very low	67 Å²	67	97.2 Å²	97.2	34%	0.344	53%	0.526	S	S	.	.			trans	-124.1	119.7	144.5	-62.6	177.7	0	0	0	105.4	V243 S263	I241-V243 HydrophobicContact CG2-CG2 4.4Å; I241-S263 WeakPolarHBondContact O-CA 3.49Å
242	H	34.6	Very low	34.6	Very low	37 Å²	37	98.3 Å²	98.3	17%	0.171	54%	0.544	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	106	172.3	-74.8	-62.8	0	0	0	108.3	V186 F240 V261	V186-H242 HydrophobicContact CG2-CB 4.26Å; F240-H242 AromaticContact CD1-NE2 3.65Å; H242-V261 HydrophobicContact CB-CG1 3.95Å; H242-V261 WeakPolarHBondContact ND1-CG1 3.46Å
243	V	37.5	Very low	34.4	Very low	51 Å²	51	91.3 Å²	91.3	31%	0.309	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	116.6	166	-177.6	0	0	0	0	106.8	I241 C262	I241-V243 HydrophobicContact CG2-CG2 4.4Å; V243-C262 PolarHBondContact N-O 2.85Å; V243-C262 PolarHBondContact O-N 2.96Å
244	L	38	Very low	34	Very low	31 Å²	31	88.1 Å²	88.1	16%	0.162	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	108.4	168.4	-71.1	161.5	0	0	0	106.7	L172 L189 L224 V259 V261	L172-L244 WeakPolarHBondContact CD1-O 3.41Å; L172-L244 HydrophobicContact CD2-CB 4.12Å; L172-L244 WeakPolarHBondContact CD2-O 3.4Å; L189-L244 HydrophobicContact CD1-CD1 3.99Å; L224-L244 HydrophobicContact CD1-CD1 4.26Å; L224-L244 HydrophobicContact CD2-CD1 3.96Å; L244-V259 HydrophobicContact CB-CG1 3.88Å; L244-V259 HydrophobicContact CD2-CG1 3.46Å; L244-V259 VanDerWaalsContact CD2-CG1 3.46Å; L244-V259 HydrophobicContact CG-CG1 4.25Å; L244-V261 HydrophobicContact CD2-CG2 3.75Å
245	A	36.3	Very low	33.7	Very low	38 Å²	38	88.3 Å²	88.3	31%	0.314	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.2	131.1	171.6	0	0	0	0	0	108.9	K260	A245-K260 PolarHBondContact N-O 3.41Å; A245-K260 PolarHBondContact O-N 3.47Å
246	C	36.4	Very low	33.9	Very low	65 Å²	65	89.3 Å²	89.3	44%	0.439	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.4	102.4	169.3	-162.9	0	0	0	0	106.7	L172	L172-C246 HydrophobicContact CD1-CB 3.82Å
247	E	33.2	Very low	34.1	Very low	149 Å²	149	85.4 Å²	85.4	70%	0.696	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	115.5	171.1	-81	-179	168.5	0	0	108.2
248	S	37.6	Very low	34.5	Very low	105 Å²	105	85 Å²	85	73%	0.734	52%	0.52	S	S	*	.			trans	-95.8	-4.6	176.4	61.1	0	0	0	0	114.3
249	E	33.4	Very low	35.1	Very low	166 Å²	166	83.4 Å²	83.4	78%	0.776	51%	0.512	S	S	*	.	S	Bend	trans	-104.4	-6.3	-154.3	-76.1	-169.1	167.1	0	0	118.8
250	N	32.7	Very low	35.6	Very low	153 Å²	153	80.7 Å²	80.7	82%	0.818	50%	0.5	S	S	*	.	S	Bend	trans	-147.1	13.5	180	-92.2	-34.1	0	0	0	118.8	T252	N250-T252 PolarHBondContact O-N 2.94Å
251	C	30.5	Very low	36.2	Very low	104 Å²	104	77.1 Å²	77.1	70%	0.703	49%	0.486	S	S	*	.			trans	-94.3	96.4	172.9	-70.8	0	0	0	0	110.3	G253 L258	C251-G253 PolarHBondContact O-N 3.32Å; C251-L258 HydrophobicContact CB-CD1 4.46Å
252	T	31.5	Very low	36.3	Very low	152 Å²	152	76.4 Å²	76.4	93%	0.933	49%	0.486	S	S	*	.			trans	-67.6	39.8	-176.1	50.5	0	0	0	0	115.4	N250	N250-T252 PolarHBondContact O-N 2.94Å
253	G	31.8	Very low	36.3	Very low	48 Å²	48	76.6 Å²	76.6	50%	0.495	49%	0.491	S	S	.	.	S	Bend	trans	-139.7	99.9	-178.5	0	0	0	0	0	112.4	C251 G255	C251-G253 PolarHBondContact O-N 3.32Å; G253-G255 PolarHBondContact O-N 3.5Å
254	A	31.9	Very low	36	Very low	98 Å²	98	78.5 Å²	78.5	81%	0.81	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.7	68.8	156.3	0	0	0	0	0	117.3	V256	A254-V256 WeakPolarHBondContact O-CG2 3.38Å; A254-V256 PolarHBondContact O-N 3.24Å
255	G	33	Very low	35.4	Very low	91 Å²	91	81.8 Å²	81.8	94%	0.938	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	11.7	154.4	0	0	0	0	0	118.1	G253 G257	G253-G255 PolarHBondContact O-N 3.5Å; G255-G257 PolarHBondContact O-N 2.83Å
256	V	38.3	Very low	34.9	Very low	67 Å²	67	85.5 Å²	85.5	41%	0.406	54%	0.538	S	S	.	.			trans	-92.8	101	-176.5	-169.5	0	0	0	0	109.5	A215 A254 L258	A215-V256 HydrophobicContact CB-CG1 3.78Å; A254-V256 WeakPolarHBondContact O-CG2 3.38Å; A254-V256 PolarHBondContact O-N 3.24Å; V256-L258 PolarHBondContact O-N 3.45Å
257	G	40.2	Very low	34.4	Very low	32 Å²	32	90.5 Å²	90.5	33%	0.33	56%	0.555	S	S	.	*			trans	-60.4	117.8	165.4	0	0	0	0	0	109.3	L216 G255	L216-G257 WeakPolarHBondContact CB-O 3.32Å; L216-G257 VanDerWaalsContact CG-O 3.28Å; L216-G257 WeakPolarHBondContact CG-O 3.41Å; L216-G257 PolarHBondContact N-O 3.04Å; G255-G257 PolarHBondContact O-N 2.83Å
258	L	39.2	Very low	34.1	Very low	54 Å²	54	87 Å²	87	28%	0.283	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	133.6	174.3	-74.2	158.5	0	0	0	108.2	C213 A215 C251 V256	C213-L258 HydrophobicContact CB-CB 4.28Å; C213-L258 HydrophobicContact CB-CD2 3.83Å; A215-L258 HydrophobicContact CB-CD2 4.35Å; C251-L258 HydrophobicContact CB-CD1 4.46Å; V256-L258 PolarHBondContact O-N 3.45Å
259	V	43.8	Very low	33.6	Very low	19 Å²	19	86.8 Å²	86.8	12%	0.115	54%	0.537	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	122.6	171.4	-176.3	0	0	0	0	108.6	C213 V214 L216 L244	C213-V259 WeakPolarHBondContact CA-O 3.38Å; V214-V259 PolarHBondContact N-O 2.85Å; V214-V259 PolarHBondContact O-N 3.42Å; L216-V259 HydrophobicContact CD1-CG2 3.55Å; L216-V259 HydrophobicContact CD2-CG2 3.92Å; L216-V259 HydrophobicContact CG-CG2 3.94Å; L244-V259 HydrophobicContact CB-CG1 3.88Å; L244-V259 HydrophobicContact CD2-CG1 3.46Å; L244-V259 VanDerWaalsContact CD2-CG1 3.46Å; L244-V259 HydrophobicContact CG-CG1 4.25Å
260	K	40.8	Very low	33.5	Very low	82 Å²	82	85 Å²	85	36%	0.357	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	133.6	176.1	-165.4	175.8	-176.6	179.9	0	109.6	A245	A245-K260 PolarHBondContact N-O 3.41Å; A245-K260 PolarHBondContact O-N 3.47Å
261	V	43.2	Very low	33.3	Very low	11 Å²	11	80.4 Å²	80.4	7%	0.067	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	112	177.1	-176.1	0	0	0	0	109	G211 H242 L244	G211-V261 WeakPolarHBondContact CA-O 3.42Å; G211-V261 PolarHBondContact N-O 3.33Å; H242-V261 HydrophobicContact CB-CG1 3.95Å; H242-V261 WeakPolarHBondContact ND1-CG1 3.46Å; L244-V261 HydrophobicContact CD2-CG2 3.75Å
262	C	37.9	Very low	33.6	Very low	51 Å²	51	81.8 Å²	81.8	35%	0.345	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	138.9	176.1	-71.9	0	0	0	0	110.9	V243	V243-C262 PolarHBondContact N-O 2.85Å; V243-C262 PolarHBondContact O-N 2.96Å
263	S	34.1	Very low	33.6	Very low	41 Å²	41	79.4 Å²	79.4	29%	0.287	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	144.8	167	86.7	0	0	0	0	110.7	E210 I241	E210-S263 WeakPolarHBondContact OE1-CB 3.49Å; E210-S263 PolarHBondContact OE1-OG 3.02Å; I241-S263 WeakPolarHBondContact O-CA 3.49Å
264	T	31.6	Very low	33.6	Very low	92 Å²	92	79.6 Å²	79.6	56%	0.564	51%	0.51	S	S	*	.			trans	-140.5	141.9	169.4	-14.5	0	0	0	0	109.4
265	I	25.1	Very low	33.7	Very low	99 Å²	99	82 Å²	82	51%	0.508	51%	0.505	S	S	.	.			trans	-102.5	125.6	-168.9	-58.4	166.4	0	0	0	109.2	K239	K239-I265 HydrophobicContact CD-CD1 3.84Å; K239-I265 HydrophobicContact CD-CG1 4.08Å; K239-I265 HydrophobicContact CG-CG1 4.4Å
266	V	27.6	Very low	33.8	Very low	116 Å²	116	86.1 Å²	86.1	70%	0.703	49%	0.492	S	S	*	.			trans	-141.5	131.5	162.3	-173.6	0	0	0	0	110
267	H	24.4	Very low	33.6	Very low	170 Å²	170	92.1 Å²	92.1	79%	0.787	51%	0.507	S	S	*	.			trans	-85.1	138.7	177	-105.7	-82.5	0	0	0	110.8
268	C	28.3	Very low	33.5	Very low	77 Å²	77	93.8 Å²	93.8	52%	0.52	51%	0.508	S	S	.	.			trans	-172	170.2	139	-110.6	0	0	0	0	111.9	P180	P180-C268 HydrophobicContact CB-CB 3.53Å; P180-C268 HydrophobicContact CG-CB 3.3Å
269	N	25.8	Very low	33.3	Very low	99 Å²	99	98.7 Å²	98.7	53%	0.529	52%	0.523	S	S	.	.			trans	-130.8	115.2	-153.5	-169.9	17.2	0	0	0	110.6	D181 R232	D181-N269 VanDerWaalsContact CG-C 3.42Å; D181-N269 VanDerWaalsContact OD1-CA 3.26Å; D181-N269 WeakPolarHBondContact OD1-CA 3.4Å; D181-N269 PolarHBondContact OD1-N 3.29Å; R232-N269 PolarHBondContact NH2-OD1 2.94Å
270	I	31	Very low	33	Very low	130 Å²	130	98.5 Å²	98.5	67%	0.667	52%	0.521	S	S	*	.			trans	164.2	127.4	144.5	-83.9	151.1	0	0	0	110.6	D181	D181-I270 WeakPolarHBondContact CB-O 3Å; D181-I270 PolarHBondContact OD1-N 3.41Å; D181-I270 PolarHBondContact OD2-N 3.49Å; D181-I270 VanDerWaalsContact OD2-N 3.14Å
271	G	29.8	Very low	32.7	Very low	56 Å²	56	98 Å²	98	58%	0.577	52%	0.521	S	S	*	.			trans	-93.7	161.6	-166.6	0	0	0	0	0	116.9
272	V	37.2	Very low	32.4	Very low	132 Å²	132	101.2 Å²	101.2	80%	0.8	54%	0.537	S	S	*	.			trans	-148.2	139.4	141.8	175.2	0	0	0	0	108.9	A230	A230-V272 WeakPolarHBondContact CB-O 3.43Å
273	C	31.5	Very low	32.1	Very low	102 Å²	102	101.4 Å²	101.4	69%	0.689	54%	0.537	S	S	*	.			trans	-74.6	128.1	-179.2	-73.8	0	0	0	0	113.6
274	A	31.8	Very low	32	Very low	53 Å²	53	103.3 Å²	103.3	44%	0.438	55%	0.549	S	S	.	.			trans	-165.5	130.4	134	0	0	0	0	0	110.6	W276	A274-W276 VanDerWaalsContact CB-CD1 3.4Å; A274-W276 PolarHBondContact O-N 2.67Å
275	Q	32.7	Very low	32	Very low	149 Å²	149	101.7 Å²	101.7	70%	0.696	54%	0.542	S	S	*	.			trans	-79.5	107.8	169.7	-84.6	-177.3	-22.5	0	0	109
276	W	34.5	Very low	32.2	Very low	176 Å²	176	103.1 Å²	103.1	67%	0.667	56%	0.555	S	S	*	*			trans	-118.2	135.4	168.9	-66.2	92.2	0	0	0	110.4	A274	A274-W276 VanDerWaalsContact CB-CD1 3.4Å; A274-W276 PolarHBondContact O-N 2.67Å
277	R	34.1	Very low	32.6	Very low	193 Å²	193	106.4 Å²	106.4	73%	0.728	56%	0.56	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.6	114.9	166.5	-83.1	-178	172.7	170.2	-0.6	107.9
278	I	39.1	Very low	33.1	Very low	67 Å²	67	106.1 Å²	106.1	34%	0.344	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.3	131.1	174.8	-61.4	173.6	0	0	0	108.4	L226 L228	L226-I278 PolarHBondContact N-O 3.25Å; L226-I278 PolarHBondContact O-N 3.01Å; L228-I278 HydrophobicContact CD1-CD1 4.11Å
279	R	35.1	Very low	33.8	Very low	158 Å²	158	104.6 Å²	104.6	60%	0.596	56%	0.56	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-101.1	116.9	171.8	-83	177.6	-177.3	166.8	4.7	109.2	L224 E225	L224-R279 WeakPolarHBondContact O-CA 3.45Å; E225-R279 HydrophobicContact CG-CG 3.86Å; E225-R279 IonicContact OE1-CZ 3.81Å; E225-R279 VanDerWaalsContact OE1-CZ 3.32Å; E225-R279 IonicContact OE1-NE 3.39Å; E225-R279 PolarHBondContact OE1-NE 2.8Å; E225-R279 IonicContact OE1-NH2 3.19Å; E225-R279 PolarHBondContact OE1-NH2 2.99Å
280	L	37.8	Very low	35.1	Very low	14 Å²	14	102.7 Å²	102.7	7%	0.073	56%	0.563	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.3	126.7	176.4	-125.4	147.5	0	0	0	108.5	L161 T165 R223 L224 L226 M282	L161-L280 HydrophobicContact CD2-CD1 4.36Å; T165-L280 HydrophobicContact CG2-CD2 3.49Å; T165-L280 VanDerWaalsContact CG2-CD2 3.49Å; T165-L280 HydrophobicContact CG2-CG 4.06Å; R223-L280 VanDerWaalsContact CA-O 3.24Å; R223-L280 WeakPolarHBondContact CA-O 3.29Å; L224-L280 PolarHBondContact N-O 3.37Å; L224-L280 PolarHBondContact O-N 3.09Å; L226-L280 HydrophobicContact CD1-CD1 4.05Å; L280-M282 HydrophobicContact CD2-CE 3.97Å; L280-M282 HydrophobicContact CD2-CG 4.1Å
281	I	34.1	Very low	36.7	Very low	71 Å²	71	99.9 Å²	99.9	36%	0.364	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.3	119.1	173.1	-60.2	173.1	0	0	0	106.6	H221 F222	H221-I281 HydrophobicContact CB-CG2 4.18Å; F222-I281 WeakPolarHBondContact O-CA 3.45Å
282	M	36.6	Very low	38.5	Very low	79 Å²	79	100 Å²	100	39%	0.389	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.7	139	174	-69.1	-162	-172.3	0	0	110.6	H221 F222 L280	H221-M282 VanDerWaalsContact CA-O 3.23Å; H221-M282 WeakPolarHBondContact CA-O 3.37Å; H221-M282 WeakPolarHBondContact CB-O 3.06Å; F222-M282 PolarHBondContact N-O 3.03Å; F222-M282 VanDerWaalsContact N-O 3.14Å; F222-M282 PolarHBondContact O-N 2.91Å; L280-M282 HydrophobicContact CD2-CE 3.97Å; L280-M282 HydrophobicContact CD2-CG 4.1Å
283	T	32	Very low	40.5	Very low	56 Å²	56	101.6 Å²	101.6	34%	0.344	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	137.6	-178.3	46.3	0	0	0	0	111.2	N168 H221	N168-T283 PolarHBondContact OD1-OG1 3.34Å; H221-T283 WeakPolarHBondContact NE2-CG2 3.25Å
284	C	30.8	Very low	42.6	Very low	81 Å²	81	101.6 Å²	101.6	55%	0.547	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-79.3	136.3	172.3	-122.6	0	0	0	0	111.2	T220	T220-C284 PolarHBondContact O-N 2.92Å; T220-C284 VanDerWaalsContact O-N 3.14Å
285	S	31.8	Very low	44.9	Very low	58 Å²	58	103.8 Å²	103.8	41%	0.406	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-94.4	123.3	-163.3	145.4	0	0	0	0	115.5	R170	R170-S285 WeakPolarHBondContact CD-OG 3.46Å; R170-S285 VanDerWaalsContact CZ-CB 3.44Å; R170-S285 VanDerWaalsContact CZ-OG 3.32Å; R170-S285 PolarHBondContact NE-OG 3.46Å; R170-S285 VanDerWaalsContact NH1-CB 3.32Å; R170-S285 PolarHBondContact NH1-OG 2.97Å
286	T	30.9	Very low	47.3	Very low	128 Å²	128	99.6 Å²	99.6	79%	0.785	53%	0.53	S	S	*	.			trans	-149.8	96.1	153.4	49.4	0	0	0	0	112.6	R170	R170-T286 VanDerWaalsContact NH1-C 3.29Å
287	K	34.9	Very low	49.6	Very low	185 Å²	185	97.6 Å²	97.6	80%	0.804	52%	0.523	S	S	*	.			trans	-162.1	101.1	172.2	-83.7	-161.8	179	169	0	112.4
288	I	34.1	Very low	52	Low	165 Å²	165	90 Å²	90	85%	0.846	50%	0.496	S	S	*	.			trans	-111.5	2.4	168.1	-67.8	168.3	0	0	0	111.5	G290	I288-G290 PolarHBondContact O-N 3.05Å
289	G	43.2	Very low	54.2	Low	45 Å²	45	89.3 Å²	89.3	46%	0.464	49%	0.492	S	S	.	.	H	α-helix	trans	-76.8	-13.1	-166	0	0	0	0	0	118.9
290	G	54.5	Low	56.7	Low	58 Å²	58	90.1 Å²	90.1	60%	0.598	50%	0.5	S	S	*	.	H	α-helix	trans	-71.4	-48	-173.9	0	0	0	0	0	113.9	I288 A292 K293 L294	I288-G290 PolarHBondContact O-N 3.05Å; G290-A292 VanDerWaalsContact C-N 3.34Å; G290-A292 PolarHBondContact O-N 2.9Å; G290-K293 PolarHBondContact O-N 3.12Å; G290-L294 PolarHBondContact O-N 3.45Å
291	S	63.6	Low	59.2	Low	71 Å²	71	91.7 Å²	91.7	50%	0.497	51%	0.509	S	S	.	.	H	α-helix	trans	-63.6	-39	-179	-176.8	0	0	0	0	112	K293 L294 K295	S291-K293 PolarHBondContact O-N 3.23Å; S291-L294 PolarHBondContact O-N 2.98Å; S291-K295 VanDerWaalsContact O-CG 3.3Å; S291-K295 WeakPolarHBondContact O-CG 3.42Å; S291-K295 PolarHBondContact O-N 2.89Å; S291-K295 WeakPolarHBondContact OG-CE 3.45Å
292	A	68.9	Low	61.7	Low	60 Å²	60	88.4 Å²	88.4	50%	0.496	49%	0.492	S	S	.	.	H	α-helix	trans	-62.4	-40.7	179.6	0	0	0	0	0	112.6	G290 K295 A296	G290-A292 VanDerWaalsContact C-N 3.34Å; G290-A292 PolarHBondContact O-N 2.9Å; A292-K295 PolarHBondContact O-N 3.1Å; A292-A296 WeakPolarHBondContact O-CB 3.25Å; A292-A296 PolarHBondContact O-N 2.93Å
293	K	78.1	Confident	64.2	Low	164 Å²	164	87.3 Å²	87.3	71%	0.713	49%	0.488	S	S	*	.	H	α-helix	trans	-64.6	-43	176.5	-71	-176.4	-179.8	-175.2	0	112.1	G290 S291 A296 W297	G290-K293 PolarHBondContact O-N 3.12Å; S291-K293 PolarHBondContact O-N 3.23Å; K293-A296 PolarHBondContact O-N 2.84Å; K293-W297 WeakPolarHBondContact O-CB 3.17Å; K293-W297 PolarHBondContact O-N 2.95Å
294	L	76.4	Confident	67.1	Low	103 Å²	103	90.7 Å²	90.7	54%	0.539	50%	0.503	S	S	.	.	H	α-helix	trans	-63.8	-45.2	178.1	-178	64.3	0	0	0	111.4	G290 S291 A296 W297 I298	G290-L294 PolarHBondContact O-N 3.45Å; S291-L294 PolarHBondContact O-N 2.98Å; L294-A296 PolarHBondContact O-N 3.49Å; L294-W297 PolarHBondContact O-N 3.47Å; L294-I298 HydrophobicContact CD1-CD1 4.25Å; L294-I298 HydrophobicContact CD1-CG1 4.43Å; L294-I298 HydrophobicContact CG-CD1 4.07Å; L294-I298 WeakPolarHBondContact O-CG1 3.39Å; L294-I298 PolarHBondContact O-N 3.31Å
295	K	80.1	Confident	69.9	Low	98 Å²	98	89.9 Å²	89.9	43%	0.426	49%	0.493	S	S	.	.	H	α-helix	trans	-56.9	-49.7	175.6	-70.3	176.9	-177.5	-174.6	0	111.4	S291 A292 W297 I298 I299 L671	S291-K295 VanDerWaalsContact O-CG 3.3Å; S291-K295 WeakPolarHBondContact O-CG 3.42Å; S291-K295 PolarHBondContact O-N 2.89Å; S291-K295 WeakPolarHBondContact OG-CE 3.45Å; A292-K295 PolarHBondContact O-N 3.1Å; K295-W297 VanDerWaalsContact C-N 3.31Å; K295-W297 PolarHBondContact O-N 3.2Å; K295-I298 PolarHBondContact O-N 3.39Å; K295-I299 VanDerWaalsContact O-CG1 3.3Å; K295-I299 WeakPolarHBondContact O-CG1 3.06Å; K295-I299 PolarHBondContact O-N 3.46Å; K295-I299 VanDerWaalsContact O-N 3.09Å; K295-L671 HydrophobicContact CD-CD2 4.31Å; K295-L671 HydrophobicContact CG-CD2 3.95Å
296	A	81.6	Confident	72.8	Confident	61 Å²	61	87.3 Å²	87.3	50%	0.504	48%	0.475	S	S	.	.	H	α-helix	trans	-61.4	-39	178.7	0	0	0	0	0	112.4	A292 K293 L294 K300	A292-A296 WeakPolarHBondContact O-CB 3.25Å; A292-A296 PolarHBondContact O-N 2.93Å; K293-A296 PolarHBondContact O-N 2.84Å; L294-A296 PolarHBondContact O-N 3.49Å; A296-K300 WeakPolarHBondContact O-CB 3.45Å; A296-K300 PolarHBondContact O-N 3.18Å; A296-K300 VanDerWaalsContact O-N 3.1Å
297	W	84.4	Confident	75.7	Confident	135 Å²	135	85 Å²	85	51%	0.511	46%	0.461	S	S	.	.	H	α-helix	trans	-66.3	-44.6	178.1	-175.1	88.5	0	0	0	112.7	K293 L294 K295 I299 K300 N301 L305	K293-W297 WeakPolarHBondContact O-CB 3.17Å; K293-W297 PolarHBondContact O-N 2.95Å; L294-W297 PolarHBondContact O-N 3.47Å; K295-W297 VanDerWaalsContact C-N 3.31Å; K295-W297 PolarHBondContact O-N 3.2Å; W297-I299 PolarHBondContact O-N 3.31Å; W297-K300 PolarHBondContact O-N 3.2Å; W297-N301 PolarHBondContact NE1-ND2 3.03Å; W297-N301 WeakPolarHBondContact O-CB 3.46Å; W297-N301 PolarHBondContact O-N 3.48Å; W297-L305 HydrophobicContact CH2-CD2 4.48Å; W297-L305 HydrophobicContact CZ3-CD2 4.47Å
298	I	84.9	Confident	78.6	Confident	32 Å²	32	78.5 Å²	78.5	16%	0.164	44%	0.442	C	S	.	.	H	α-helix	trans	-62.4	-42.9	177	-67	170.6	0	0	0	110.8	L294 K295 K300 G302 L671	L294-I298 HydrophobicContact CD1-CD1 4.25Å; L294-I298 HydrophobicContact CD1-CG1 4.43Å; L294-I298 HydrophobicContact CG-CD1 4.07Å; L294-I298 WeakPolarHBondContact O-CG1 3.39Å; L294-I298 PolarHBondContact O-N 3.31Å; K295-I298 PolarHBondContact O-N 3.39Å; I298-K300 VanDerWaalsContact C-N 3.33Å; I298-K300 PolarHBondContact O-N 2.97Å; I298-G302 VanDerWaalsContact O-CA 3.25Å; I298-G302 WeakPolarHBondContact O-CA 3.29Å; I298-G302 PolarHBondContact O-N 2.87Å; I298-L671 HydrophobicContact CB-CD1 4.08Å; I298-L671 HydrophobicContact CD1-CD1 4.3Å; I298-L671 HydrophobicContact CG2-CD1 3.83Å
299	I	85	Confident	81.4	Confident	53 Å²	53	71 Å²	71	27%	0.272	40%	0.404	S	S	.	.	H	α-helix	trans	-61.3	-44.1	178.4	-67.5	167	0	0	0	110.7	K295 W297 L671 T672	K295-I299 VanDerWaalsContact O-CG1 3.3Å; K295-I299 WeakPolarHBondContact O-CG1 3.06Å; K295-I299 PolarHBondContact O-N 3.46Å; K295-I299 VanDerWaalsContact O-N 3.09Å; W297-I299 PolarHBondContact O-N 3.31Å; I299-L671 HydrophobicContact CD1-CB 4.17Å; I299-L671 HydrophobicContact CG1-CB 4.05Å; I299-T672 HydrophobicContact CG1-CG2 4.33Å; I299-T672 HydrophobicContact CG2-CG2 4.12Å
300	K	87.9	Confident	83.9	Confident	175 Å²	175	71.3 Å²	71.3	76%	0.761	39%	0.391	S	S	*	.	H	α-helix	trans	-68.8	-46.4	-179.5	-171.1	179	178.3	179	0	112.8	A296 W297 I298	A296-K300 WeakPolarHBondContact O-CB 3.45Å; A296-K300 PolarHBondContact O-N 3.18Å; A296-K300 VanDerWaalsContact O-N 3.1Å; W297-K300 PolarHBondContact O-N 3.2Å; I298-K300 VanDerWaalsContact C-N 3.33Å; I298-K300 PolarHBondContact O-N 2.97Å
301	N	89.9	Confident	85.9	Confident	48 Å²	48	73.5 Å²	73.5	26%	0.257	39%	0.389	S	S	.	.	H	α-helix	trans	-104.7	-4	-168.7	-67.8	-15.9	0	0	0	114.8	W297 N303 L304 L305	W297-N301 PolarHBondContact NE1-ND2 3.03Å; W297-N301 WeakPolarHBondContact O-CB 3.46Å; W297-N301 PolarHBondContact O-N 3.48Å; N301-N303 VanDerWaalsContact C-N 3.3Å; N301-N303 PolarHBondContact O-N 3.38Å; N301-L304 PolarHBondContact O-N 3.37Å; N301-L304 VanDerWaalsContact O-N 3.11Å; N301-L305 PolarHBondContact O-N 3.47Å
302	G	86	Confident	87.4	Confident	1 Å²	1	73.1 Å²	73.1	1%	0.01	39%	0.385	C	S	.	.	H	α-helix	trans	-59.1	-33.6	-171	0	0	0	0	0	115.1	I298 A306	I298-G302 VanDerWaalsContact O-CA 3.25Å; I298-G302 WeakPolarHBondContact O-CA 3.29Å; I298-G302 PolarHBondContact O-N 2.87Å; G302-A306 WeakPolarHBondContact O-CB 3.43Å; G302-A306 PolarHBondContact O-N 3.46Å
303	N	89.2	Confident	88.7	Confident	57 Å²	57	70.2 Å²	70.2	31%	0.305	36%	0.362	S	S	.	.	H	α-helix	trans	-69.3	-44	176.6	-73.2	-0.7	0	0	0	112.1	N301 L305 A306 V307 Q665 K668	N301-N303 VanDerWaalsContact C-N 3.3Å; N301-N303 PolarHBondContact O-N 3.38Å; N303-L305 VanDerWaalsContact C-N 3.31Å; N303-A306 PolarHBondContact O-N 2.91Å; N303-V307 WeakPolarHBondContact O-CG2 3.46Å; N303-V307 PolarHBondContact O-N 3.13Å; N303-Q665 PolarHBondContact OD1-NE2 2.96Å; N303-K668 PolarHBondContact ND2-NZ 3.02Å; N303-K668 PolarHBondContact OD1-NZ 3.39Å
304	L	92	Very high	89.4	Confident	126 Å²	126	65.8 Å²	65.8	66%	0.66	35%	0.345	S	S	*	.	H	α-helix	trans	-63.8	-42.2	177.9	-179.1	66.1	0	0	0	110.3	N301 A306 V307 A308	N301-L304 PolarHBondContact O-N 3.37Å; N301-L304 VanDerWaalsContact O-N 3.11Å; L304-A306 PolarHBondContact O-N 2.9Å; L304-V307 PolarHBondContact O-N 3.44Å; L304-A308 VanDerWaalsContact O-CB 3.28Å; L304-A308 WeakPolarHBondContact O-CB 3.47Å; L304-A308 PolarHBondContact O-N 3.5Å
305	L	90.6	Very high	90.3	Very high	64 Å²	64	66.1 Å²	66.1	34%	0.335	35%	0.347	S	S	.	.	H	α-helix	trans	-63.9	-40.5	178	-170.8	63.5	0	0	0	112.1	W297 N301 N303 A308 S309 L664	W297-L305 HydrophobicContact CH2-CD2 4.48Å; W297-L305 HydrophobicContact CZ3-CD2 4.47Å; N301-L305 PolarHBondContact O-N 3.47Å; N303-L305 VanDerWaalsContact C-N 3.31Å; L305-A308 PolarHBondContact O-N 3.43Å; L305-S309 WeakPolarHBondContact O-CB 3.3Å; L305-S309 PolarHBondContact O-N 2.92Å; L305-S309 PolarHBondContact O-OG 3.24Å; L305-L664 HydrophobicContact CB-CD1 4.1Å; L305-L664 HydrophobicContact CD2-CD1 3.59Å; L305-L664 HydrophobicContact CD2-CD2 3.83Å; L305-L664 HydrophobicContact CD2-CG 4.38Å; L305-L664 HydrophobicContact CG-CD1 3.54Å
306	A	91.5	Very high	91	Very high	4 Å²	4	64.6 Å²	64.6	3%	0.033	34%	0.339	C	S	.	.	H	α-helix	trans	-65	-42.3	176.3	0	0	0	0	0	112.4	G302 N303 L304 S309 Y310 V661 Q665	G302-A306 WeakPolarHBondContact O-CB 3.43Å; G302-A306 PolarHBondContact O-N 3.46Å; N303-A306 PolarHBondContact O-N 2.91Å; L304-A306 PolarHBondContact O-N 2.9Å; A306-S309 PolarHBondContact O-N 3.17Å; A306-S309 PolarHBondContact O-OG 3.19Å; A306-S309 VanDerWaalsContact O-OG 3.05Å; A306-Y310 WeakPolarHBondContact O-CB 3.4Å; A306-Y310 PolarHBondContact O-N 2.88Å; A306-V661 HydrophobicContact CB-CG1 4.04Å; A306-Q665 HydrophobicContact CB-CG 4.25Å
307	V	93.5	Very high	91.4	Very high	80 Å²	80	62.7 Å²	62.7	49%	0.485	32%	0.319	S	S	.	.	H	α-helix	trans	-66.2	-43.2	175.2	173.7	0	0	0	0	110.7	N303 L304 S309 Y310 L311	N303-V307 WeakPolarHBondContact O-CG2 3.46Å; N303-V307 PolarHBondContact O-N 3.13Å; L304-V307 PolarHBondContact O-N 3.44Å; V307-S309 PolarHBondContact O-N 3.35Å; V307-Y310 PolarHBondContact O-N 2.98Å; V307-L311 HydrophobicContact CG1-CD1 3.95Å; V307-L311 HydrophobicContact CG1-CG 4.39Å; V307-L311 WeakPolarHBondContact O-CG 3.32Å; V307-L311 PolarHBondContact O-N 2.93Å
308	A	95	Very high	91.7	Very high	48 Å²	48	59.3 Å²	59.3	40%	0.397	32%	0.32	S	S	.	.	H	α-helix	trans	-62.1	-42	177.2	0	0	0	0	0	111.9	L304 L305 C312	L304-A308 VanDerWaalsContact O-CB 3.28Å; L304-A308 WeakPolarHBondContact O-CB 3.47Å; L304-A308 PolarHBondContact O-N 3.5Å; L305-A308 PolarHBondContact O-N 3.43Å; A308-C312 WeakPolarHBondContact O-CB 3.2Å; A308-C312 PolarHBondContact O-N 3.34Å
309	S	94	Very high	92	Very high	8 Å²	8	61.6 Å²	61.6	6%	0.056	34%	0.335	C	S	.	.	H	α-helix	trans	-67.8	-39	178.2	71.4	0	0	0	0	112	L305 A306 V307 C312 G313 L657 V661	L305-S309 WeakPolarHBondContact O-CB 3.3Å; L305-S309 PolarHBondContact O-N 2.92Å; L305-S309 PolarHBondContact O-OG 3.24Å; A306-S309 PolarHBondContact O-N 3.17Å; A306-S309 PolarHBondContact O-OG 3.19Å; A306-S309 VanDerWaalsContact O-OG 3.05Å; V307-S309 PolarHBondContact O-N 3.35Å; S309-C312 PolarHBondContact O-N 3.36Å; S309-G313 PolarHBondContact O-N 3.35Å; S309-L657 PolarHBondContact OG-O 3.24Å; S309-V661 VanDerWaalsContact OG-CG2 3.24Å; S309-V661 WeakPolarHBondContact OG-CG2 3.17Å
310	Y	95	Very high	92.2	Very high	51 Å²	51	59.2 Å²	59.2	20%	0.2	32%	0.323	C	S	.	.	H	α-helix	trans	-62	-50.2	174.5	-175.9	-103.6	0	0	0	112	A306 V307 C312 G313 I314 L658 V661 C782 P786	A306-Y310 WeakPolarHBondContact O-CB 3.4Å; A306-Y310 PolarHBondContact O-N 2.88Å; V307-Y310 PolarHBondContact O-N 2.98Å; Y310-C312 VanDerWaalsContact C-N 3.35Å; Y310-C312 PolarHBondContact O-N 2.7Å; Y310-G313 PolarHBondContact O-N 3.4Å; Y310-I314 HydrophobicContact CD1-CD1 3.9Å; Y310-I314 HydrophobicContact CE1-CD1 3.25Å; Y310-I314 HydrophobicContact CE1-CG1 4.29Å; Y310-I314 HydrophobicContact CE2-CD1 4.23Å; Y310-I314 VanDerWaalsContact CZ-CD1 3.44Å; Y310-I314 PolarHBondContact O-N 2.82Å; Y310-L658 HydrophobicContact CD2-CD2 3.64Å; Y310-L658 HydrophobicContact CE2-CD2 3.96Å; Y310-L658 HydrophobicContact CG-CD2 4.44Å; Y310-V661 HydrophobicContact CD2-CG2 4.32Å; Y310-C782 PolarHBondContact OH-O 3.23Å; Y310-P786 HydrophobicContact CE1-CB 4.47Å; Y310-P786 HydrophobicContact CE2-CB 4.09Å; Y310-P786 HydrophobicContact CE2-CG 3.92Å
311	L	95.6	Very high	92.2	Very high	104 Å²	104	51.5 Å²	51.5	55%	0.545	29%	0.29	S	S	.	.	H	α-helix	trans	-63.1	-40.9	178.3	-69.9	175.2	0	0	0	111.9	V307 G313 I314 L315	V307-L311 HydrophobicContact CG1-CD1 3.95Å; V307-L311 HydrophobicContact CG1-CG 4.39Å; V307-L311 WeakPolarHBondContact O-CG 3.32Å; V307-L311 PolarHBondContact O-N 2.93Å; L311-G313 VanDerWaalsContact C-N 3.33Å; L311-I314 PolarHBondContact O-N 3.47Å; L311-L315 VanDerWaalsContact O-CB 3.23Å; L311-L315 WeakPolarHBondContact O-CB 3.31Å; L311-L315 PolarHBondContact O-N 3.44Å
312	C	96.4	Very high	92.1	Very high	63 Å²	63	53.2 Å²	53.2	43%	0.426	30%	0.296	S	S	.	.	H	α-helix	trans	-62.5	-41.7	175	-167.6	0	0	0	0	111.1	A308 S309 Y310 L315 Y316 L657	A308-C312 WeakPolarHBondContact O-CB 3.2Å; A308-C312 PolarHBondContact O-N 3.34Å; S309-C312 PolarHBondContact O-N 3.36Å; Y310-C312 VanDerWaalsContact C-N 3.35Å; Y310-C312 PolarHBondContact O-N 2.7Å; C312-L315 PolarHBondContact O-N 2.85Å; C312-Y316 VanDerWaalsContact O-CB 3.24Å; C312-Y316 WeakPolarHBondContact O-CB 3.44Å; C312-Y316 PolarHBondContact O-N 3.02Å; C312-L657 HydrophobicContact CB-CD1 4.27Å
313	G	94.8	Very high	92	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.2	-46.9	175.1	0	0	0	0	0	113.2	S309 Y310 L311 Y316 Y317	S309-G313 PolarHBondContact O-N 3.35Å; Y310-G313 PolarHBondContact O-N 3.4Å; L311-G313 VanDerWaalsContact C-N 3.33Å; G313-Y316 WeakPolarHBondContact O-CB 3.22Å; G313-Y316 PolarHBondContact O-N 2.92Å; G313-Y317 WeakPolarHBondContact O-CD2 3.29Å; G313-Y317 PolarHBondContact O-N 3.01Å
314	I	93.9	Very high	91.7	Very high	71 Å²	71	55.8 Å²	55.8	36%	0.364	32%	0.323	S	S	.	.	H	α-helix	trans	-63.7	-47.8	175.8	-68.3	178.8	0	0	0	111	Y310 L311 Y316 Y317 A318 L658	Y310-I314 HydrophobicContact CD1-CD1 3.9Å; Y310-I314 HydrophobicContact CE1-CD1 3.25Å; Y310-I314 HydrophobicContact CE1-CG1 4.29Å; Y310-I314 HydrophobicContact CE2-CD1 4.23Å; Y310-I314 VanDerWaalsContact CZ-CD1 3.44Å; Y310-I314 PolarHBondContact O-N 2.82Å; L311-I314 PolarHBondContact O-N 3.47Å; I314-Y316 PolarHBondContact O-N 3.34Å; I314-Y317 PolarHBondContact O-N 3.04Å; I314-Y317 VanDerWaalsContact O-N 3.14Å; I314-A318 PolarHBondContact O-N 3.39Å; I314-L658 HydrophobicContact CG1-CD2 4.47Å
315	L	94.4	Very high	91.3	Very high	110 Å²	110	53.1 Å²	53.1	58%	0.576	31%	0.308	S	S	*	.	H	α-helix	trans	-60.7	-36.9	-180	-175.6	64.1	0	0	0	111.1	L311 C312 Y317 A318 V319	L311-L315 VanDerWaalsContact O-CB 3.23Å; L311-L315 WeakPolarHBondContact O-CB 3.31Å; L311-L315 PolarHBondContact O-N 3.44Å; C312-L315 PolarHBondContact O-N 2.85Å; L315-Y317 PolarHBondContact O-N 3.39Å; L315-A318 WeakPolarHBondContact O-CB 3.32Å; L315-A318 PolarHBondContact O-N 3.32Å; L315-A318 VanDerWaalsContact O-N 3.15Å; L315-V319 HydrophobicContact CG-CG2 4.49Å; L315-V319 WeakPolarHBondContact O-CG2 3.5Å; L315-V319 PolarHBondContact O-N 3.49Å
316	Y	94.3	Very high	90.8	Very high	65 Å²	65	55.8 Å²	55.8	26%	0.255	31%	0.313	S	S	.	.	H	α-helix	trans	-58	-46.1	175.1	-171.6	-96	0	0	0	112.1	C312 G313 I314 A318 V319 I320 I650	C312-Y316 VanDerWaalsContact O-CB 3.24Å; C312-Y316 WeakPolarHBondContact O-CB 3.44Å; C312-Y316 PolarHBondContact O-N 3.02Å; G313-Y316 WeakPolarHBondContact O-CB 3.22Å; G313-Y316 PolarHBondContact O-N 2.92Å; I314-Y316 PolarHBondContact O-N 3.34Å; Y316-A318 VanDerWaalsContact C-N 3.32Å; Y316-A318 PolarHBondContact O-N 2.99Å; Y316-V319 PolarHBondContact O-N 3.29Å; Y316-V319 VanDerWaalsContact O-N 3.17Å; Y316-I320 HydrophobicContact CE1-CD1 4.27Å; Y316-I320 PolarHBondContact O-N 3.16Å; Y316-I650 WeakPolarHBondContact CE1-O 3.31Å; Y316-I650 PolarHBondContact OH-O 2.84Å
317	Y	92	Very high	90.5	Very high	22 Å²	22	57.5 Å²	57.5	9%	0.086	33%	0.325	C	S	.	.	H	α-helix	trans	-70.1	-26.2	175.9	-73.7	-65.1	0	0	0	113.7	G313 I314 L315 V319 I320 F565 Y651 I655 L658 F774 L778	G313-Y317 WeakPolarHBondContact O-CD2 3.29Å; G313-Y317 PolarHBondContact O-N 3.01Å; I314-Y317 PolarHBondContact O-N 3.04Å; I314-Y317 VanDerWaalsContact O-N 3.14Å; L315-Y317 PolarHBondContact O-N 3.39Å; Y317-V319 VanDerWaalsContact C-N 3.35Å; Y317-I320 HydrophobicContact CD1-CG2 4.42Å; Y317-I320 VanDerWaalsContact O-CG2 3.32Å; Y317-I320 WeakPolarHBondContact O-CG2 3.36Å; Y317-F565 HydrophobicContact CD1-CE1 4.31Å; Y317-F565 HydrophobicContact CD1-CZ 4.24Å; Y317-Y651 PolarHBondContact OH-O 3.18Å; Y317-I655 PolarHBondContact OH-N 3.31Å; Y317-L658 HydrophobicContact CE2-CD1 4.03Å; Y317-F774 HydrophobicContact CE1-CZ 4.02Å; Y317-F774 WeakPolarHBondContact OH-CZ 2.97Å; Y317-L778 HydrophobicContact CD1-CD2 4.29Å; Y317-L778 HydrophobicContact CD2-CD1 3.85Å; Y317-L778 HydrophobicContact CE1-CD1 4.27Å; Y317-L778 HydrophobicContact CE1-CD2 4.04Å; Y317-L778 HydrophobicContact CE2-CD1 3.26Å; Y317-L778 HydrophobicContact CE2-CD2 4.42Å; Y317-L778 HydrophobicContact CE2-CG 4.48Å
318	A	89.2	Confident	90.2	Very high	64 Å²	64	58.3 Å²	58.3	53%	0.529	33%	0.327	S	S	.	.	H	α-helix	trans	-68.3	-37.2	169.7	0	0	0	0	0	111.4	I314 L315 Y316	I314-A318 PolarHBondContact O-N 3.39Å; L315-A318 WeakPolarHBondContact O-CB 3.32Å; L315-A318 PolarHBondContact O-N 3.32Å; L315-A318 VanDerWaalsContact O-N 3.15Å; Y316-A318 VanDerWaalsContact C-N 3.32Å; Y316-A318 PolarHBondContact O-N 2.99Å
319	V	90.7	Very high	89.8	Confident	79 Å²	79	56.9 Å²	56.9	48%	0.479	31%	0.313	S	S	.	.	H	α-helix	trans	-80.7	-28.7	-178.3	174.3	0	0	0	0	112.8	L315 Y316 Y317 V321 H322	L315-V319 HydrophobicContact CG-CG2 4.49Å; L315-V319 WeakPolarHBondContact O-CG2 3.5Å; L315-V319 PolarHBondContact O-N 3.49Å; Y316-V319 PolarHBondContact O-N 3.29Å; Y316-V319 VanDerWaalsContact O-N 3.17Å; Y317-V319 VanDerWaalsContact C-N 3.35Å; V319-V321 PolarHBondContact O-N 3.44Å; V319-H322 WeakPolarHBondContact O-CB 3.49Å; V319-H322 PolarHBondContact O-N 2.89Å
320	I	90.2	Very high	89.5	Confident	4 Å²	4	61.5 Å²	61.5	2%	0.021	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-24.6	-176.2	-154.7	174	0	0	0	113.5	Y316 Y317 H322 F565 I646 I650	Y316-I320 HydrophobicContact CE1-CD1 4.27Å; Y316-I320 PolarHBondContact O-N 3.16Å; Y317-I320 HydrophobicContact CD1-CG2 4.42Å; Y317-I320 VanDerWaalsContact O-CG2 3.32Å; Y317-I320 WeakPolarHBondContact O-CG2 3.36Å; I320-H322 PolarHBondContact O-N 3.07Å; I320-F565 HydrophobicContact CG2-CE1 4.09Å; I320-F565 HydrophobicContact CG2-CE2 4.33Å; I320-F565 HydrophobicContact CG2-CZ 3.91Å; I320-I646 HydrophobicContact CD1-CG2 3.82Å; I320-I646 HydrophobicContact CG1-CD1 4.4Å; I320-I646 HydrophobicContact CG1-CG2 4.2Å; I320-I650 HydrophobicContact CD1-CB 4.38Å; I320-I650 HydrophobicContact CD1-CG2 3.74Å; I320-I650 HydrophobicContact CG1-CG2 3.72Å
321	V	88	Confident	89.2	Confident	13 Å²	13	60.7 Å²	60.7	8%	0.079	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-13.9	178.3	-177.1	0	0	0	0	112.1	V319 M558 R561 G562 F565	V319-V321 PolarHBondContact O-N 3.44Å; V321-M558 HydrophobicContact CG1-CG 3.97Å; V321-M558 VanDerWaalsContact CG1-O 3.26Å; V321-M558 WeakPolarHBondContact CG1-O 3.25Å; V321-R561 HydrophobicContact CG1-CB 3.6Å; V321-R561 PolarHBondContact O-NE 3.26Å; V321-R561 VanDerWaalsContact O-NE 3.12Å; V321-G562 VanDerWaalsContact CG1-CA 3.41Å; V321-F565 HydrophobicContact CG2-CB 4.42Å; V321-F565 HydrophobicContact CG2-CD1 4.26Å; V321-F565 HydrophobicContact CG2-CG 4.39Å
322	H	88.6	Confident	88.7	Confident	83 Å²	83	56.9 Å²	56.9	38%	0.384	31%	0.311	S	S	.	.	S	Bend	trans	-60.6	139.2	-178.5	-170.9	-91.8	0	0	0	111.4	V319 I320 A324 M325	V319-H322 WeakPolarHBondContact O-CB 3.49Å; V319-H322 PolarHBondContact O-N 2.89Å; I320-H322 PolarHBondContact O-N 3.07Å; H322-A324 VanDerWaalsContact ND1-CB 3.33Å; H322-A324 WeakPolarHBondContact ND1-CB 3.22Å; H322-A324 PolarHBondContact ND1-N 3.23Å; H322-A324 VanDerWaalsContact ND1-N 3.2Å; H322-A324 PolarHBondContact O-N 3.13Å; H322-M325 PolarHBondContact O-N 3.11Å
323	P	82.1	Confident	88	Confident	33 Å²	33	55.4 Å²	55.4	21%	0.214	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-52.8	-27.4	-178	-13.5	9.9	0	0	0	115.4	M325 R326	P323-M325 VanDerWaalsContact C-N 3.33Å; P323-M325 PolarHBondContact O-N 3.2Å; P323-R326 WeakPolarHBondContact O-CD 3.42Å; P323-R326 WeakPolarHBondContact O-CG 3.46Å
324	A	84.7	Confident	87.4	Confident	79 Å²	79	60.1 Å²	60.1	65%	0.653	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-69.3	-26.2	-180	0	0	0	0	0	114	H322 R326	H322-A324 VanDerWaalsContact ND1-CB 3.33Å; H322-A324 WeakPolarHBondContact ND1-CB 3.22Å; H322-A324 PolarHBondContact ND1-N 3.23Å; H322-A324 VanDerWaalsContact ND1-N 3.2Å; H322-A324 PolarHBondContact O-N 3.13Å; A324-R326 VanDerWaalsContact C-N 3.34Å
325	M	83.6	Confident	86.9	Confident	71 Å²	71	58.5 Å²	58.5	35%	0.35	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-90.4	1.1	-178.1	-62.1	-60	-65.1	0	0	112.8	H322 P323 I650	H322-M325 PolarHBondContact O-N 3.11Å; P323-M325 VanDerWaalsContact C-N 3.33Å; P323-M325 PolarHBondContact O-N 3.2Å; M325-I650 HydrophobicContact CE-CG2 3.54Å
326	R	78.6	Confident	86.4	Confident	120 Å²	120	53.3 Å²	53.3	45%	0.453	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-81.9	139.2	-175.7	84.5	-168.3	169.4	124	-7.2	111.6	P323 A324 N328	P323-R326 WeakPolarHBondContact O-CD 3.42Å; P323-R326 WeakPolarHBondContact O-CG 3.46Å; A324-R326 VanDerWaalsContact C-N 3.34Å; R326-N328 PolarHBondContact NH1-OD1 3.26Å
327	S	85	Confident	85.9	Confident	39 Å²	39	54.2 Å²	54.2	27%	0.273	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	129.8	163.4	-59.2	0	0	0	0	109.1	S644 Y645	S327-S644 CarbonylContact O-C 3.58Å; S327-S644 WeakPolarHBondContact O-CA 3.26Å; S327-Y645 PolarHBondContact N-O 3.35Å; S327-Y645 WeakPolarHBondContact O-CD1 3.25Å; S327-Y645 PolarHBondContact O-N 2.93Å
328	N	88.8	Confident	85.4	Confident	97 Å²	97	54.6 Å²	54.6	52%	0.519	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	142.1	174.2	-69.6	-28.6	0	0	0	109.7	R326 Y330 D643 Y645	R326-N328 PolarHBondContact NH1-OD1 3.26Å; N328-Y330 PolarHBondContact O-N 3.48Å; N328-D643 CarbonylContact C-O 3.56Å; N328-D643 WeakPolarHBondContact CA-O 3.45Å; N328-Y645 WeakPolarHBondContact O-CE1 3.35Å
329	T	86.6	Confident	84.8	Confident	18 Å²	18	53 Å²	53	11%	0.11	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-66.8	122.6	176.4	51	0	0	0	0	110.8	N528 R532 D643 Y645	T329-N528 VanDerWaalsContact CB-OD1 3.3Å; T329-N528 WeakPolarHBondContact CB-OD1 3.24Å; T329-N528 VanDerWaalsContact CG2-OD1 3.29Å; T329-N528 WeakPolarHBondContact CG2-OD1 3.43Å; T329-R532 PolarHBondContact O-NH2 3.46Å; T329-D643 PolarHBondContact N-O 2.82Å; T329-D643 WeakPolarHBondContact OG1-CA 3.43Å; T329-D643 PolarHBondContact OG1-O 3.4Å; T329-Y645 HydrophobicContact CG2-CD1 4.04Å
330	Y	87.7	Confident	84.2	Confident	106 Å²	106	55.4 Å²	55.4	42%	0.416	31%	0.313	S	S	.	.			trans	-118.6	168.2	171.9	62.9	-91.2	0	0	0	110.2	N328 S332 N528 Y645	N328-Y330 PolarHBondContact O-N 3.48Å; Y330-S332 WeakPolarHBondContact CE2-OG 3.46Å; Y330-N528 PolarHBondContact O-ND2 2.76Å; Y330-Y645 HydrophobicContact CD1-CE1 4.43Å; Y330-Y645 HydrophobicContact CE1-CE1 4.26Å; Y330-Y645 WeakPolarHBondContact CE1-OH 3.42Å
331	I	87.7	Confident	83.6	Confident	34 Å²	34	56.1 Å²	56.1	17%	0.174	32%	0.317	C	S	.	.			trans	-99.9	119.4	171.8	-67.2	-178.3	0	0	0	105.7	E333 L336 V338 N528 R532	I331-E333 WeakPolarHBondContact CG2-O 3.45Å; I331-L336 HydrophobicContact CG2-CB 4.32Å; I331-L336 HydrophobicContact CG2-CD1 3.89Å; I331-V338 HydrophobicContact CD1-CB 3.56Å; I331-V338 HydrophobicContact CD1-CG1 4.08Å; I331-V338 HydrophobicContact CD1-CG2 3.22Å; I331-N528 HydrophobicContact CG1-CB 4.25Å; I331-R532 VanDerWaalsContact CD1-NH1 3.35Å
332	S	84.7	Confident	83.3	Confident	24 Å²	24	61.8 Å²	61.8	17%	0.168	35%	0.347	C	S	.	.			trans	-80.5	-41.6	-178.3	-45.7	0	0	0	0	109.8	Y330 S334 D525 Q632 S633	Y330-S332 WeakPolarHBondContact CE2-OG 3.46Å; S332-S334 PolarHBondContact O-N 3.47Å; S332-D525 WeakPolarHBondContact CA-OD2 3.35Å; S332-D525 WeakPolarHBondContact CB-OD2 3.1Å; S332-D525 PolarHBondContact N-OD1 3.36Å; S332-D525 PolarHBondContact N-OD2 3.41Å; S332-D525 PolarHBondContact OG-OD1 3.44Å; S332-Q632 PolarHBondContact O-OE1 3.24Å; S332-S633 WeakPolarHBondContact OG-CB 3.47Å
333	E	83.4	Confident	83.2	Confident	32 Å²	32	59.1 Å²	59.1	15%	0.15	34%	0.335	C	S	.	.			trans	-81.5	114.6	-178.5	-177	50.7	-107.1	0	0	112.1	I331 A335 L336 D525 L626 Q632	I331-E333 WeakPolarHBondContact CG2-O 3.45Å; E333-A335 VanDerWaalsContact C-N 3.32Å; E333-A335 HydrophobicContact CG-CB 4.11Å; E333-A335 PolarHBondContact O-N 3.11Å; E333-A335 WeakPolarHBondContact OE1-CB 3.33Å; E333-A335 PolarHBondContact OE1-N 2.64Å; E333-L336 HydrophobicContact CB-CD1 4.06Å; E333-L336 HydrophobicContact CB-CG 4.16Å; E333-L336 HydrophobicContact CG-CG 4.14Å; E333-L336 PolarHBondContact O-N 2.7Å; E333-D525 PolarHBondContact N-OD2 3.04Å; E333-L626 HydrophobicContact CG-CD2 3.77Å; E333-Q632 PolarHBondContact OE2-OE1 3.21Å
334	S	82	Confident	83.4	Confident	98 Å²	98	62 Å²	62	69%	0.685	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-71.6	-28.1	-178.8	-64.3	0	0	0	0	112.3	S332 L336 L337	S332-S334 PolarHBondContact O-N 3.47Å; S334-L336 PolarHBondContact O-N 2.7Å; S334-L337 PolarHBondContact O-N 3.02Å
335	A	83.3	Confident	83.6	Confident	37 Å²	37	58.7 Å²	58.7	31%	0.306	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-65.3	-19.6	-179.7	0	0	0	0	0	113.9	E333 L337 N625 L626	E333-A335 VanDerWaalsContact C-N 3.32Å; E333-A335 HydrophobicContact CG-CB 4.11Å; E333-A335 PolarHBondContact O-N 3.11Å; E333-A335 WeakPolarHBondContact OE1-CB 3.33Å; E333-A335 PolarHBondContact OE1-N 2.64Å; A335-L337 PolarHBondContact O-N 3.22Å; A335-N625 VanDerWaalsContact O-CB 3.26Å; A335-N625 WeakPolarHBondContact O-CB 3.4Å; A335-L626 HydrophobicContact CB-CD2 4.12Å
336	L	84.1	Confident	83.8	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.005	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-63.6	-26.3	177.2	-75.7	174.4	0	0	0	112.9	I331 E333 S334 V338 D525 L529 S622 L626	I331-L336 HydrophobicContact CG2-CB 4.32Å; I331-L336 HydrophobicContact CG2-CD1 3.89Å; E333-L336 HydrophobicContact CB-CD1 4.06Å; E333-L336 HydrophobicContact CB-CG 4.16Å; E333-L336 HydrophobicContact CG-CG 4.14Å; E333-L336 PolarHBondContact O-N 2.7Å; S334-L336 PolarHBondContact O-N 2.7Å; L336-V338 HydrophobicContact CB-CG2 3.79Å; L336-V338 PolarHBondContact O-N 3.31Å; L336-V338 VanDerWaalsContact O-N 3.1Å; L336-D525 HydrophobicContact CD1-CB 3.93Å; L336-L529 HydrophobicContact CD2-CD2 4.31Å; L336-S622 WeakPolarHBondContact O-CA 3.47Å; L336-S622 WeakPolarHBondContact O-CB 3.44Å; L336-S622 PolarHBondContact O-OG 3.45Å; L336-L626 HydrophobicContact CD2-CD1 3.8Å; L336-L626 HydrophobicContact CD2-CD2 3.81Å; L336-L626 HydrophobicContact CD2-CG 3.91Å; L336-L626 HydrophobicContact CG-CD2 4.04Å
337	L	84	Confident	84.2	Confident	84 Å²	84	58.6 Å²	58.6	44%	0.44	32%	0.319	S	S	.	.			trans	45.9	46.5	174.1	-64.3	172.7	0	0	0	113.6	S334 A335 G339 L340	S334-L337 PolarHBondContact O-N 3.02Å; A335-L337 PolarHBondContact O-N 3.22Å; L337-G339 PolarHBondContact O-N 2.98Å; L337-L340 HydrophobicContact CB-CD1 4.04Å; L337-L340 HydrophobicContact CD2-CD1 3.68Å; L337-L340 HydrophobicContact CG-CD1 4.46Å; L337-L340 PolarHBondContact O-N 2.94Å
338	V	81.5	Confident	84.1	Confident	30 Å²	30	56.7 Å²	56.7	18%	0.182	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	129	-168.7	-178.9	0	0	0	0	112.1	I331 L336 L340 L529 R532	I331-V338 HydrophobicContact CD1-CB 3.56Å; I331-V338 HydrophobicContact CD1-CG1 4.08Å; I331-V338 HydrophobicContact CD1-CG2 3.22Å; L336-V338 HydrophobicContact CB-CG2 3.79Å; L336-V338 PolarHBondContact O-N 3.31Å; L336-V338 VanDerWaalsContact O-N 3.1Å; V338-L340 PolarHBondContact O-N 2.67Å; V338-L529 HydrophobicContact CB-CD1 4.12Å; V338-L529 HydrophobicContact CG1-CD1 3.8Å; V338-L529 HydrophobicContact CG2-CB 4.45Å; V338-L529 HydrophobicContact CG2-CD1 3.31Å; V338-L529 HydrophobicContact CG2-CG 4.45Å; V338-R532 HydrophobicContact CG1-CB 3.9Å
339	G	75	Confident	83.7	Confident	30 Å²	30	56.7 Å²	56.7	31%	0.309	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	-8.5	176.3	0	0	0	0	0	115	L337 V341 K536	L337-G339 PolarHBondContact O-N 2.98Å; G339-V341 PolarHBondContact O-N 2.96Å; G339-K536 PolarHBondContact O-NZ 3.42Å
340	L	79.3	Confident	83.2	Confident	131 Å²	131	59.6 Å²	59.6	69%	0.686	31%	0.314	S	S	*	.			trans	-77.8	-7.8	179.4	-66.2	173.9	0	0	0	114.1	L337 V338	L337-L340 HydrophobicContact CB-CD1 4.04Å; L337-L340 HydrophobicContact CD2-CD1 3.68Å; L337-L340 HydrophobicContact CG-CD1 4.46Å; L337-L340 PolarHBondContact O-N 2.94Å; V338-L340 PolarHBondContact O-N 2.67Å
341	V	77	Confident	82.7	Confident	18 Å²	18	55.9 Å²	55.9	11%	0.109	30%	0.3	C	S	.	.	S	Bend	trans	-97.5	130.6	-174.6	177.4	0	0	0	0	110.1	G339 E343 K536 R621	G339-V341 PolarHBondContact O-N 2.96Å; V341-E343 VanDerWaalsContact O-OE1 3.13Å; V341-E343 VanDerWaalsContact O-OE2 3.13Å; V341-K536 PolarHBondContact O-NZ 2.65Å; V341-R621 HydrophobicContact CG1-CB 4.2Å; V341-R621 HydrophobicContact CG1-CG 4.44Å; V341-R621 HydrophobicContact CG2-CB 4.46Å
342	D	81.9	Confident	82.2	Confident	133 Å²	133	54.7 Å²	54.7	71%	0.711	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-81.2	120.1	168.4	-69.4	-41.3	0	0	0	110.4	R621	D342-R621 PolarHBondContact O-NH1 2.59Å; D342-R621 VanDerWaalsContact O-NH1 3.08Å
343	E	86.9	Confident	81.6	Confident	26 Å²	26	56 Å²	56	12%	0.121	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-79.5	119.1	-178.2	-63.3	82.2	-176.7	0	0	111.3	V341 K536 H537 K614 E617 S618	V341-E343 VanDerWaalsContact O-OE1 3.13Å; V341-E343 VanDerWaalsContact O-OE2 3.13Å; E343-K536 VanDerWaalsContact CD-NZ 3.26Å; E343-K536 IonicContact OE1-NZ 2.68Å; E343-K536 PolarHBondContact OE1-NZ 3.27Å; E343-K536 IonicContact OE2-NZ 3.04Å; E343-K536 PolarHBondContact OE2-NZ 2.77Å; E343-H537 VanDerWaalsContact CD-CE1 3.43Å; E343-H537 IonicContact OE1-CE1 3.46Å; E343-H537 PolarHBondContact OE1-CE1 2.97Å; E343-H537 IonicContact OE1-NE2 3Å; E343-H537 PolarHBondContact OE1-NE2 2.9Å; E343-H537 IonicContact OE2-CE1 3.64Å; E343-H537 IonicContact OE2-NE2 3.31Å; E343-H537 PolarHBondContact OE2-NE2 3.43Å; E343-H537 VanDerWaalsContact OE2-NE2 3.16Å; E343-K614 HydrophobicContact CB-CB 4.01Å; E343-K614 HydrophobicContact CB-CD 4.24Å; E343-K614 HydrophobicContact CB-CG 3.82Å; E343-K614 HydrophobicContact CG-CB 4.13Å; E343-K614 HydrophobicContact CG-CG 4.49Å; E343-E617 WeakPolarHBondContact CA-OE2 3.14Å; E343-E617 WeakPolarHBondContact CB-OE2 3.4Å; E343-E617 HydrophobicContact CG-CB 4.47Å; E343-S618 WeakPolarHBondContact OE1-CB 3.5Å; E343-S618 PolarHBondContact OE1-OG 2.92Å
344	E	84.9	Confident	81.2	Confident	94 Å²	94	59.6 Å²	59.6	44%	0.439	33%	0.331	S	S	.	.			trans	-99.7	2.8	-174.9	-64	-177.6	-175.9	0	0	113.4	R346 R447 E617	E344-R346 PolarHBondContact O-N 3.46Å; E344-R447 PolarHBondContact O-NH2 3.48Å; E344-R447 IonicContact OE2-CZ 2.63Å; E344-R447 VanDerWaalsContact OE2-CZ 3.3Å; E344-R447 IonicContact OE2-NE 2.83Å; E344-R447 IonicContact OE2-NH1 3.71Å; E344-R447 PolarHBondContact OE2-NH1 2.77Å; E344-E617 PolarHBondContact N-OE1 3.49Å; E344-E617 VanDerWaalsContact N-OE1 3.1Å; E344-E617 PolarHBondContact N-OE2 3.19Å; E344-E617 VanDerWaalsContact N-OE2 3.12Å
345	I	89.4	Confident	81.2	Confident	9 Å²	9	57.9 Å²	57.9	5%	0.046	31%	0.314	C	S	.	.			trans	-61.9	135.9	178.2	-166.9	153.6	0	0	0	110.7	Y439 L440 F444 H610 A613 K614 E617	I345-Y439 HydrophobicContact CD1-CE1 4.04Å; I345-Y439 HydrophobicContact CG1-CE1 4.4Å; I345-Y439 VanDerWaalsContact CG1-OH 3.26Å; I345-Y439 WeakPolarHBondContact CG1-OH 3.44Å; I345-L440 HydrophobicContact CD1-CD2 3.67Å; I345-F444 HydrophobicContact CD1-CE1 3.93Å; I345-H610 PolarHBondContact O-CE1 3.14Å; I345-A613 HydrophobicContact CD1-CB 3.95Å; I345-A613 HydrophobicContact CG1-CB 4.35Å; I345-A613 HydrophobicContact CG2-CB 4.18Å; I345-K614 HydrophobicContact CG2-CB 4.34Å; I345-K614 HydrophobicContact CG2-CG 3.56Å; I345-E617 WeakPolarHBondContact CB-OE2 3.31Å; I345-E617 HydrophobicContact CG2-CB 4.48Å; I345-E617 WeakPolarHBondContact CG2-OE2 3.36Å; I345-E617 PolarHBondContact N-OE2 2.92Å
346	R	87.8	Confident	81	Confident	147 Å²	147	60.7 Å²	60.7	56%	0.555	33%	0.329	S	S	*	.			trans	-76.8	-175.1	-179.6	-71.4	-170.1	-74.2	164.6	-2.8	110.9	E344 Y439 H610	E344-R346 PolarHBondContact O-N 3.46Å; R346-Y439 PolarHBondContact O-OH 2.91Å; R346-H610 PolarHBondContact O-CE1 3.01Å; R346-H610 VanDerWaalsContact O-CE1 3.26Å; R346-H610 PolarHBondContact O-ND1 3.3Å
347	S	86.4	Confident	80.8	Confident	42 Å²	42	66.8 Å²	66.8	29%	0.294	36%	0.356	S	S	.	.			trans	-77.4	140.2	173.3	70.8	0	0	0	0	110.3	Y349 L350	S347-Y349 PolarHBondContact O-N 3.47Å; S347-L350 PolarHBondContact O-N 3.29Å; S347-L350 WeakPolarHBondContact OG-CB 3.41Å; S347-L350 PolarHBondContact OG-N 3.42Å
348	P	83.5	Confident	80.7	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-61.7	-36.1	175.5	21.3	-29.1	0	0	0	111.6	L350 F351 F352 Y439 H609	P348-L350 VanDerWaalsContact C-N 3.28Å; P348-L350 PolarHBondContact O-N 3.03Å; P348-F351 PolarHBondContact O-N 3.33Å; P348-F351 VanDerWaalsContact O-N 3.15Å; P348-F352 VanDerWaalsContact C-CD2 3.46Å; P348-F352 HydrophobicContact CB-CD2 4.06Å; P348-F352 HydrophobicContact CB-CE2 3.73Å; P348-F352 WeakPolarHBondContact O-CD2 3.43Å; P348-F352 WeakPolarHBondContact O-CG 3.19Å; P348-F352 PolarHBondContact O-N 2.7Å; P348-Y439 HydrophobicContact CB-CD1 4Å; P348-Y439 HydrophobicContact CB-CD2 4.39Å; P348-Y439 HydrophobicContact CB-CE1 3.79Å; P348-Y439 HydrophobicContact CB-CE2 4.19Å; P348-Y439 HydrophobicContact CB-CG 4.27Å; P348-H609 HydrophobicContact CG-CB 3.71Å
349	Y	80.7	Confident	80.5	Confident	96 Å²	96	64.3 Å²	64.3	38%	0.376	34%	0.341	S	S	.	.	H	α-helix	trans	-62.3	-31.3	179.3	-59.1	-73.7	0	0	0	113.9	S347 G353 N606 H609	S347-Y349 PolarHBondContact O-N 3.47Å; Y349-G353 PolarHBondContact O-N 3.25Å; Y349-N606 VanDerWaalsContact CE2-O 3.25Å; Y349-N606 WeakPolarHBondContact CE2-O 3.31Å; Y349-N606 PolarHBondContact OH-O 2.74Å; Y349-H609 PolarHBondContact OH-CD2 3.29Å
350	L	76.9	Confident	80.8	Confident	79 Å²	79	68.9 Å²	68.9	41%	0.414	35%	0.354	S	S	.	.	H	α-helix	trans	-65.3	-49	173.9	179.9	64.7	0	0	0	110.3	S347 P348 F352 G353 D354	S347-L350 PolarHBondContact O-N 3.29Å; S347-L350 WeakPolarHBondContact OG-CB 3.41Å; S347-L350 PolarHBondContact OG-N 3.42Å; P348-L350 VanDerWaalsContact C-N 3.28Å; P348-L350 PolarHBondContact O-N 3.03Å; L350-F352 VanDerWaalsContact C-N 3.3Å; L350-F352 PolarHBondContact O-N 2.86Å; L350-G353 PolarHBondContact O-N 3.25Å; L350-G353 VanDerWaalsContact O-N 3.13Å; L350-D354 PolarHBondContact O-N 2.91Å
351	F	76.7	Confident	81	Confident	29 Å²	29	63 Å²	63	13%	0.127	32%	0.324	C	S	.	.	H	α-helix	trans	-62.5	-38.3	177.9	176.4	-106	0	0	0	112.7	P348 D354 N355 L358 Y439 K442	P348-F351 PolarHBondContact O-N 3.33Å; P348-F351 VanDerWaalsContact O-N 3.15Å; F351-D354 PolarHBondContact O-N 3.36Å; F351-N355 WeakPolarHBondContact CE2-ND2 3.18Å; F351-N355 PolarHBondContact O-N 2.91Å; F351-N355 PolarHBondContact O-ND2 3.08Å; F351-L358 HydrophobicContact CD1-CD1 4.2Å; F351-L358 HydrophobicContact CE1-CD1 3.34Å; F351-L358 HydrophobicContact CZ-CD1 3.66Å; F351-Y439 HydrophobicContact CB-CD2 3.53Å; F351-Y439 HydrophobicContact CB-CE2 3.85Å; F351-Y439 AromaticContact CD1-CD2 3.49Å; F351-Y439 HydrophobicContact CD1-CD2 3.49Å; F351-Y439 VanDerWaalsContact CD1-CD2 3.49Å; F351-Y439 HydrophobicContact CD1-CG 4.03Å; F351-Y439 HydrophobicContact CE1-CD2 4.31Å; F351-Y439 AromaticContact CG-CD2 3.61Å; F351-Y439 HydrophobicContact CG-CD2 3.61Å; F351-Y439 HydrophobicContact CG-CE2 4.35Å; F351-K442 HydrophobicContact CD2-CB 4.44Å; F351-K442 HydrophobicContact CD2-CG 4.12Å; F351-K442 HydrophobicContact CE2-CB 3.7Å; F351-K442 HydrophobicContact CE2-CD 4.32Å; F351-K442 HydrophobicContact CE2-CG 3.5Å; F351-K442 VanDerWaalsContact CE2-CG 3.5Å; F351-K442 HydrophobicContact CZ-CB 3.81Å; F351-K442 HydrophobicContact CZ-CG 4.12Å
352	F	77.3	Confident	81.3	Confident	9 Å²	9	62.8 Å²	62.8	4%	0.039	32%	0.323	C	S	.	.	H	α-helix	trans	-66.6	-40.5	173.7	-71.8	-49	0	0	0	111.8	P348 L350 D354 N355 L358 I359 A435 F503	P348-F352 VanDerWaalsContact C-CD2 3.46Å; P348-F352 HydrophobicContact CB-CD2 4.06Å; P348-F352 HydrophobicContact CB-CE2 3.73Å; P348-F352 WeakPolarHBondContact O-CD2 3.43Å; P348-F352 WeakPolarHBondContact O-CG 3.19Å; P348-F352 PolarHBondContact O-N 2.7Å; L350-F352 VanDerWaalsContact C-N 3.3Å; L350-F352 PolarHBondContact O-N 2.86Å; F352-D354 VanDerWaalsContact C-N 3.28Å; F352-D354 PolarHBondContact O-N 3.27Å; F352-N355 CarbonylContact O-C 3.28Å; F352-N355 VanDerWaalsContact O-C 3.27Å; F352-N355 PolarHBondContact O-N 2.83Å; F352-N355 VanDerWaalsContact O-O 3.09Å; F352-L358 HydrophobicContact CD1-CB 3.85Å; F352-L358 HydrophobicContact CE1-CB 4.15Å; F352-I359 VanDerWaalsContact C-CD1 3.46Å; F352-I359 HydrophobicContact CB-CD1 4.09Å; F352-I359 HydrophobicContact CB-CG1 3.64Å; F352-I359 HydrophobicContact CG-CG1 4.46Å; F352-I359 WeakPolarHBondContact O-CD1 3.42Å; F352-I359 VanDerWaalsContact O-CG1 3.32Å; F352-I359 WeakPolarHBondContact O-CG1 3.26Å; F352-A435 HydrophobicContact CE1-CB 3.92Å; F352-A435 HydrophobicContact CZ-CB 4.2Å; F352-F503 HydrophobicContact CD2-CZ 4.4Å; F352-F503 HydrophobicContact CE2-CD1 4.42Å; F352-F503 AromaticContact CE2-CE1 3.6Å; F352-F503 HydrophobicContact CE2-CE1 3.6Å; F352-F503 AromaticContact CE2-CE2 3.75Å; F352-F503 HydrophobicContact CE2-CE2 3.75Å; F352-F503 AromaticContact CE2-CZ 3.2Å; F352-F503 HydrophobicContact CE2-CZ 3.2Å; F352-F503 HydrophobicContact CZ-CE1 4.23Å; F352-F503 AromaticContact CZ-CE2 3.55Å; F352-F503 HydrophobicContact CZ-CE2 3.55Å; F352-F503 AromaticContact CZ-CZ 3.36Å; F352-F503 HydrophobicContact CZ-CZ 3.36Å
353	G	72.5	Confident	81.2	Confident	52 Å²	52	63.7 Å²	63.7	54%	0.536	32%	0.32	S	S	.	.	H	α-helix	trans	-58.4	-39.3	175.3	0	0	0	0	0	113	Y349 L350 N355	Y349-G353 PolarHBondContact O-N 3.25Å; L350-G353 PolarHBondContact O-N 3.25Å; L350-G353 VanDerWaalsContact O-N 3.13Å; G353-N355 PolarHBondContact O-N 3.12Å
354	D	74.4	Confident	80.9	Confident	107 Å²	107	66.4 Å²	66.4	57%	0.572	33%	0.333	S	S	*	.	H	α-helix	trans	-71.2	-17.2	176.5	-63.8	-25.8	0	0	0	113.1	L350 F351 F352	L350-D354 PolarHBondContact O-N 2.91Å; F351-D354 PolarHBondContact O-N 3.36Å; F352-D354 VanDerWaalsContact C-N 3.28Å; F352-D354 PolarHBondContact O-N 3.27Å
355	N	81.2	Confident	80.3	Confident	61 Å²	61	67.2 Å²	67.2	33%	0.326	34%	0.344	S	S	.	.			trans	-129.1	85.6	-173.5	-67.7	-78.5	0	0	0	111.8	F351 F352 G353 K357 L358 I359	F351-N355 WeakPolarHBondContact CE2-ND2 3.18Å; F351-N355 PolarHBondContact O-N 2.91Å; F351-N355 PolarHBondContact O-ND2 3.08Å; F352-N355 CarbonylContact O-C 3.28Å; F352-N355 VanDerWaalsContact O-C 3.27Å; F352-N355 PolarHBondContact O-N 2.83Å; F352-N355 VanDerWaalsContact O-O 3.09Å; G353-N355 PolarHBondContact O-N 3.12Å; N355-K357 PolarHBondContact O-N 3.07Å; N355-K357 VanDerWaalsContact O-N 3.15Å; N355-L358 HydrophobicContact CB-CB 4.1Å; N355-L358 HydrophobicContact CB-CD1 3.58Å; N355-L358 HydrophobicContact CB-CG 4.21Å; N355-L358 WeakPolarHBondContact O-CB 3.37Å; N355-L358 PolarHBondContact O-N 3.33Å; N355-I359 PolarHBondContact O-N 2.9Å
356	P	79	Confident	79.7	Confident	96 Å²	96	74.8 Å²	74.8	62%	0.623	39%	0.385	S	S	*	.	H	α-helix	trans	-58.6	-34.8	-175.2	21.5	-32.9	0	0	0	113.2	L358 I359 E360	P356-L358 VanDerWaalsContact C-N 3.3Å; P356-L358 PolarHBondContact O-N 3.49Å; P356-I359 PolarHBondContact O-N 3.31Å; P356-E360 PolarHBondContact O-N 3.45Å
357	K	80.9	Confident	79.5	Confident	130 Å²	130	69.3 Å²	69.3	57%	0.565	37%	0.368	S	S	*	.	H	α-helix	trans	-61.6	-34.5	177	-65.2	-177.3	179.5	179.2	0	113.3	N355 F361	N355-K357 PolarHBondContact O-N 3.07Å; N355-K357 VanDerWaalsContact O-N 3.15Å; K357-F361 WeakPolarHBondContact O-CB 3.45Å; K357-F361 PolarHBondContact O-N 2.99Å
358	L	81	Confident	79.5	Confident	9 Å²	9	76.6 Å²	76.6	5%	0.047	39%	0.389	C	S	.	.	H	α-helix	trans	-72.9	-37.4	178.7	-84.3	160.9	0	0	0	111.4	F351 F352 N355 P356 S362 W375 A435 L438	F351-L358 HydrophobicContact CD1-CD1 4.2Å; F351-L358 HydrophobicContact CE1-CD1 3.34Å; F351-L358 HydrophobicContact CZ-CD1 3.66Å; F352-L358 HydrophobicContact CD1-CB 3.85Å; F352-L358 HydrophobicContact CE1-CB 4.15Å; N355-L358 HydrophobicContact CB-CB 4.1Å; N355-L358 HydrophobicContact CB-CD1 3.58Å; N355-L358 HydrophobicContact CB-CG 4.21Å; N355-L358 WeakPolarHBondContact O-CB 3.37Å; N355-L358 PolarHBondContact O-N 3.33Å; P356-L358 VanDerWaalsContact C-N 3.3Å; P356-L358 PolarHBondContact O-N 3.49Å; L358-S362 VanDerWaalsContact O-CB 3.3Å; L358-S362 WeakPolarHBondContact O-CB 3.48Å; L358-S362 PolarHBondContact O-N 2.94Å; L358-S362 PolarHBondContact O-OG 3.05Å; L358-W375 HydrophobicContact CD2-CH2 3.34Å; L358-W375 HydrophobicContact CD2-CZ2 4.31Å; L358-W375 HydrophobicContact CD2-CZ3 3.99Å; L358-W375 HydrophobicContact CG-CH2 4Å; L358-A435 HydrophobicContact CD2-CB 4.22Å; L358-L438 HydrophobicContact CD2-CB 4.32Å; L358-L438 HydrophobicContact CD2-CD1 3.81Å
359	I	76.9	Confident	79.8	Confident	53 Å²	53	77.2 Å²	77.2	27%	0.272	39%	0.394	S	S	.	.	H	α-helix	trans	-64.5	-44.6	174	-68.7	172.6	0	0	0	110.6	F352 N355 P356 S362 K363	F352-I359 VanDerWaalsContact C-CD1 3.46Å; F352-I359 HydrophobicContact CB-CD1 4.09Å; F352-I359 HydrophobicContact CB-CG1 3.64Å; F352-I359 HydrophobicContact CG-CG1 4.46Å; F352-I359 WeakPolarHBondContact O-CD1 3.42Å; F352-I359 VanDerWaalsContact O-CG1 3.32Å; F352-I359 WeakPolarHBondContact O-CG1 3.26Å; N355-I359 PolarHBondContact O-N 2.9Å; P356-I359 PolarHBondContact O-N 3.31Å; I359-S362 PolarHBondContact O-N 3.45Å; I359-S362 PolarHBondContact O-OG 2.92Å; I359-S362 VanDerWaalsContact O-OG 3.06Å; I359-K363 HydrophobicContact CG2-CD 4.05Å; I359-K363 WeakPolarHBondContact O-CG 3.37Å; I359-K363 PolarHBondContact O-N 2.87Å
360	E	82	Confident	80.3	Confident	125 Å²	125	73.5 Å²	73.5	58%	0.584	38%	0.383	S	S	*	.	H	α-helix	trans	-61.6	-49.2	179.2	-172	-179.5	179	0	0	110.4	P356 S362 K363 Q364	P356-E360 PolarHBondContact O-N 3.45Å; E360-S362 PolarHBondContact O-N 2.87Å; E360-K363 PolarHBondContact O-N 3.08Å; E360-Q364 WeakPolarHBondContact O-CG 3.38Å; E360-Q364 PolarHBondContact O-N 3.13Å
361	F	83.7	Confident	80.9	Confident	9 Å²	9	72.2 Å²	72.2	4%	0.039	38%	0.381	C	S	.	.	H	α-helix	trans	-60.5	-44.2	177	-178.7	-98.3	0	0	0	112.6	K357 K363 Q364 V367 A372 W375 S431 V434 A435	K357-F361 WeakPolarHBondContact O-CB 3.45Å; K357-F361 PolarHBondContact O-N 2.99Å; F361-K363 PolarHBondContact O-N 2.68Å; F361-Q364 WeakPolarHBondContact O-CB 3.04Å; F361-Q364 PolarHBondContact O-N 3.28Å; F361-Q364 VanDerWaalsContact O-N 3.09Å; F361-V367 HydrophobicContact CE2-CG1 4.13Å; F361-V367 HydrophobicContact CE2-CG2 4.5Å; F361-A372 HydrophobicContact CE2-CB 4.28Å; F361-A372 HydrophobicContact CZ-CB 3.8Å; F361-W375 HydrophobicContact CB-CH2 3.79Å; F361-W375 HydrophobicContact CB-CZ2 3.72Å; F361-W375 HydrophobicContact CB-CZ3 4.46Å; F361-W375 HydrophobicContact CD1-CD2 4.5Å; F361-W375 AromaticContact CD1-CE3 3.97Å; F361-W375 HydrophobicContact CD1-CE3 3.97Å; F361-W375 AromaticContact CD1-CH2 3.61Å; F361-W375 HydrophobicContact CD1-CH2 3.61Å; F361-W375 HydrophobicContact CD1-CZ2 4.26Å; F361-W375 AromaticContact CD1-CZ3 3.47Å; F361-W375 HydrophobicContact CD1-CZ3 3.47Å; F361-W375 VanDerWaalsContact CD1-CZ3 3.47Å; F361-W375 HydrophobicContact CD2-CD2 4.02Å; F361-W375 HydrophobicContact CD2-CE3 4.23Å; F361-W375 HydrophobicContact CD2-CG 4.36Å; F361-W375 HydrophobicContact CD2-CH2 4.43Å; F361-W375 HydrophobicContact CD2-CZ2 4.34Å; F361-W375 HydrophobicContact CD2-CZ3 4.41Å; F361-W375 AromaticContact CE1-CE3 3.87Å; F361-W375 HydrophobicContact CE1-CE3 3.87Å; F361-W375 HydrophobicContact CE1-CH2 4.3Å; F361-W375 AromaticContact CE1-CZ3 3.68Å; F361-W375 HydrophobicContact CE1-CZ3 3.68Å; F361-W375 HydrophobicContact CE2-CB 4.48Å; F361-W375 HydrophobicContact CE2-CD2 4.11Å; F361-W375 HydrophobicContact CE2-CE3 4.13Å; F361-W375 HydrophobicContact CE2-CG 4.26Å; F361-W375 HydrophobicContact CG-CD2 4.21Å; F361-W375 HydrophobicContact CG-CE3 4.14Å; F361-W375 AromaticContact CG-CH2 3.68Å; F361-W375 HydrophobicContact CG-CH2 3.68Å; F361-W375 AromaticContact CG-CZ2 3.85Å; F361-W375 HydrophobicContact CG-CZ2 3.85Å; F361-W375 AromaticContact CG-CZ3 3.86Å; F361-W375 HydrophobicContact CG-CZ3 3.86Å; F361-W375 HydrophobicContact CZ-CD2 4.39Å; F361-W375 AromaticContact CZ-CE3 3.95Å; F361-W375 HydrophobicContact CZ-CE3 3.95Å; F361-W375 HydrophobicContact CZ-CZ3 4.24Å; F361-S431 WeakPolarHBondContact CE1-O 3.39Å; F361-S431 VanDerWaalsContact O-CB 3.25Å; F361-S431 WeakPolarHBondContact O-CB 3.16Å; F361-S431 PolarHBondContact O-OG 3.44Å; F361-V434 HydrophobicContact CE1-CB 4.02Å; F361-V434 HydrophobicContact CE1-CG1 3.95Å; F361-V434 HydrophobicContact CZ-CG1 4.38Å; F361-A435 HydrophobicContact CD1-CB 4.47Å
362	S	82.6	Confident	81.7	Confident	12 Å²	12	70.8 Å²	70.8	8%	0.084	38%	0.375	C	S	.	.	H	α-helix	trans	-65.9	-25.6	-178.4	72.1	0	0	0	0	113.6	L358 I359 E360 S431 S432	L358-S362 VanDerWaalsContact O-CB 3.3Å; L358-S362 WeakPolarHBondContact O-CB 3.48Å; L358-S362 PolarHBondContact O-N 2.94Å; L358-S362 PolarHBondContact O-OG 3.05Å; I359-S362 PolarHBondContact O-N 3.45Å; I359-S362 PolarHBondContact O-OG 2.92Å; I359-S362 VanDerWaalsContact O-OG 3.06Å; E360-S362 PolarHBondContact O-N 2.87Å; S362-S431 PolarHBondContact O-OG 2.88Å; S362-S432 PolarHBondContact O-OG 2.82Å
363	K	80.8	Confident	82.5	Confident	153 Å²	153	70.4 Å²	70.4	67%	0.665	37%	0.373	S	S	*	.	H	α-helix	trans	-84.5	-16.4	174.8	-71.8	177.7	179.3	179.1	0	113.6	I359 E360 F361 T365	I359-K363 HydrophobicContact CG2-CD 4.05Å; I359-K363 WeakPolarHBondContact O-CG 3.37Å; I359-K363 PolarHBondContact O-N 2.87Å; E360-K363 PolarHBondContact O-N 3.08Å; F361-K363 PolarHBondContact O-N 2.68Å; K363-T365 PolarHBondContact O-N 3.18Å
364	Q	80.6	Confident	83.5	Confident	82 Å²	82	73.7 Å²	73.7	38%	0.383	37%	0.374	S	S	.	.			trans	-67.4	124.2	177.7	-74.1	172.4	-0.6	0	0	109.9	E360 F361 V367 S431	E360-Q364 WeakPolarHBondContact O-CG 3.38Å; E360-Q364 PolarHBondContact O-N 3.13Å; F361-Q364 WeakPolarHBondContact O-CB 3.04Å; F361-Q364 PolarHBondContact O-N 3.28Å; F361-Q364 VanDerWaalsContact O-N 3.09Å; Q364-V367 HydrophobicContact CB-CG2 3.43Å; Q364-V367 VanDerWaalsContact CB-CG2 3.43Å; Q364-V367 HydrophobicContact CG-CG2 4.42Å; Q364-S431 PolarHBondContact O-OG 3.09Å
365	T	72.8	Confident	84.4	Confident	111 Å²	111	71.1 Å²	71.1	68%	0.681	36%	0.357	S	S	*	.	S	Bend	trans	-95.3	148.1	168.3	55	0	0	0	0	109	K363 V367	K363-T365 PolarHBondContact O-N 3.18Å; T365-V367 PolarHBondContact O-N 3Å
366	N	76.2	Confident	85	Confident	168 Å²	168	68.2 Å²	68.2	90%	0.898	34%	0.341	S	S	*	.	S	Bend	trans	60.7	36.7	179	-59.9	-21.7	0	0	0	115.7
367	V	82.7	Confident	85.8	Confident	32 Å²	32	66.5 Å²	66.5	19%	0.194	32%	0.324	C	S	.	.			trans	-66.6	134.6	168.3	-177.6	0	0	0	0	109.2	F361 Q364 T365 A369 S371 A372	F361-V367 HydrophobicContact CE2-CG1 4.13Å; F361-V367 HydrophobicContact CE2-CG2 4.5Å; Q364-V367 HydrophobicContact CB-CG2 3.43Å; Q364-V367 VanDerWaalsContact CB-CG2 3.43Å; Q364-V367 HydrophobicContact CG-CG2 4.42Å; T365-V367 PolarHBondContact O-N 3Å; V367-A369 PolarHBondContact O-N 2.74Å; V367-S371 WeakPolarHBondContact CG1-OG 3.17Å; V367-A372 HydrophobicContact CG1-CB 4.05Å
368	R	88	Confident	86.4	Confident	195 Å²	195	62.1 Å²	62.1	74%	0.736	31%	0.312	S	S	*	.			trans	-63.5	124.4	173.2	-177.4	176.9	-179.5	162.5	0.3	109.3	A370 S371 A372	R368-A370 VanDerWaalsContact C-N 3.33Å; R368-A370 HydrophobicContact CG-CB 4.45Å; R368-A370 PolarHBondContact O-N 3.48Å; R368-S371 WeakPolarHBondContact O-CB 3.48Å; R368-S371 PolarHBondContact O-N 3.19Å; R368-S371 PolarHBondContact O-OG 3.4Å; R368-A372 PolarHBondContact O-N 2.82Å
369	A	89.2	Confident	87	Confident	14 Å²	14	64.2 Å²	64.2	12%	0.116	32%	0.319	C	S	.	.	H	α-helix	trans	-50.1	-46.7	-175.8	0	0	0	0	0	113.5	V367 S371 A372 V373 A428 E460	V367-A369 PolarHBondContact O-N 2.74Å; A369-S371 VanDerWaalsContact C-N 3.3Å; A369-S371 PolarHBondContact O-N 2.81Å; A369-A372 WeakPolarHBondContact O-CB 3.27Å; A369-A372 PolarHBondContact O-N 3.15Å; A369-V373 WeakPolarHBondContact O-CG2 3.31Å; A369-V373 PolarHBondContact O-N 2.71Å; A369-A428 HydrophobicContact CB-CB 4Å; A369-E460 HydrophobicContact CB-CG 3.84Å
370	A	90.2	Very high	87.8	Confident	18 Å²	18	61.7 Å²	61.7	15%	0.149	31%	0.307	C	S	.	.	H	α-helix	trans	-52.5	-42.8	173.9	0	0	0	0	0	114.1	R368 V373 Q374 E460	R368-A370 VanDerWaalsContact C-N 3.33Å; R368-A370 HydrophobicContact CG-CB 4.45Å; R368-A370 PolarHBondContact O-N 3.48Å; A370-V373 PolarHBondContact O-N 3.5Å; A370-Q374 WeakPolarHBondContact O-CG 3.17Å; A370-Q374 PolarHBondContact O-N 3.35Å; A370-Q374 VanDerWaalsContact O-N 3.09Å; A370-E460 WeakPolarHBondContact CB-OE1 3.36Å
371	S	90.9	Very high	88.4	Confident	51 Å²	51	59.7 Å²	59.7	36%	0.357	30%	0.3	S	S	.	.	H	α-helix	trans	-70.4	-34.6	179.1	66.9	0	0	0	0	112.1	V367 R368 A369 Q374 W375	V367-S371 WeakPolarHBondContact CG1-OG 3.17Å; R368-S371 WeakPolarHBondContact O-CB 3.48Å; R368-S371 PolarHBondContact O-N 3.19Å; R368-S371 PolarHBondContact O-OG 3.4Å; A369-S371 VanDerWaalsContact C-N 3.3Å; A369-S371 PolarHBondContact O-N 2.81Å; S371-Q374 PolarHBondContact O-N 3.49Å; S371-W375 WeakPolarHBondContact O-CB 3.34Å; S371-W375 PolarHBondContact O-N 3.2Å
372	A	92.2	Very high	88.8	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-65.7	-38.5	174.1	0	0	0	0	0	111.8	F361 V367 R368 A369 W375 A376 A428	F361-A372 HydrophobicContact CE2-CB 4.28Å; F361-A372 HydrophobicContact CZ-CB 3.8Å; V367-A372 HydrophobicContact CG1-CB 4.05Å; R368-A372 PolarHBondContact O-N 2.82Å; A369-A372 WeakPolarHBondContact O-CB 3.27Å; A369-A372 PolarHBondContact O-N 3.15Å; A372-W375 PolarHBondContact O-N 3.08Å; A372-A376 WeakPolarHBondContact O-CB 3.21Å; A372-A376 PolarHBondContact O-N 3.26Å; A372-A428 HydrophobicContact CB-CB 4.19Å
373	V	94.9	Very high	89.2	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-63.2	-49.9	174.6	174.5	0	0	0	0	111.2	A369 A370 W375 A376 F377 A407 A428 V458 E460	A369-V373 WeakPolarHBondContact O-CG2 3.31Å; A369-V373 PolarHBondContact O-N 2.71Å; A370-V373 PolarHBondContact O-N 3.5Å; V373-W375 VanDerWaalsContact C-N 3.28Å; V373-W375 PolarHBondContact O-N 3.33Å; V373-A376 PolarHBondContact O-N 3.03Å; V373-F377 PolarHBondContact O-N 3.29Å; V373-A407 HydrophobicContact CG1-CB 3.57Å; V373-A428 HydrophobicContact CG2-CB 3.69Å; V373-V458 HydrophobicContact CG2-CG1 4.17Å; V373-E460 HydrophobicContact CG2-CB 4Å
374	Q	94	Very high	89.6	Confident	121 Å²	121	63.8 Å²	63.8	57%	0.565	33%	0.333	S	S	*	.	H	α-helix	trans	-60.6	-40.4	177.1	-71.4	178.1	-10.4	0	0	111.9	A370 S371 F377 A378	A370-Q374 WeakPolarHBondContact O-CG 3.17Å; A370-Q374 PolarHBondContact O-N 3.35Å; A370-Q374 VanDerWaalsContact O-N 3.09Å; S371-Q374 PolarHBondContact O-N 3.49Å; Q374-F377 PolarHBondContact O-N 2.8Å; Q374-A378 PolarHBondContact O-N 2.92Å
375	W	91.9	Very high	90.1	Very high	54 Å²	54	60.4 Å²	60.4	21%	0.205	32%	0.318	C	S	.	.	H	α-helix	trans	-64.5	-43.9	176.6	-172.6	95	0	0	0	111.6	L358 F361 S371 A372 V373 A378 R379 V434 L438	L358-W375 HydrophobicContact CD2-CH2 3.34Å; L358-W375 HydrophobicContact CD2-CZ2 4.31Å; L358-W375 HydrophobicContact CD2-CZ3 3.99Å; L358-W375 HydrophobicContact CG-CH2 4Å; F361-W375 HydrophobicContact CB-CH2 3.79Å; F361-W375 HydrophobicContact CB-CZ2 3.72Å; F361-W375 HydrophobicContact CB-CZ3 4.46Å; F361-W375 HydrophobicContact CD1-CD2 4.5Å; F361-W375 AromaticContact CD1-CE3 3.97Å; F361-W375 HydrophobicContact CD1-CE3 3.97Å; F361-W375 AromaticContact CD1-CH2 3.61Å; F361-W375 HydrophobicContact CD1-CH2 3.61Å; F361-W375 HydrophobicContact CD1-CZ2 4.26Å; F361-W375 AromaticContact CD1-CZ3 3.47Å; F361-W375 HydrophobicContact CD1-CZ3 3.47Å; F361-W375 VanDerWaalsContact CD1-CZ3 3.47Å; F361-W375 HydrophobicContact CD2-CD2 4.02Å; F361-W375 HydrophobicContact CD2-CE3 4.23Å; F361-W375 HydrophobicContact CD2-CG 4.36Å; F361-W375 HydrophobicContact CD2-CH2 4.43Å; F361-W375 HydrophobicContact CD2-CZ2 4.34Å; F361-W375 HydrophobicContact CD2-CZ3 4.41Å; F361-W375 AromaticContact CE1-CE3 3.87Å; F361-W375 HydrophobicContact CE1-CE3 3.87Å; F361-W375 HydrophobicContact CE1-CH2 4.3Å; F361-W375 AromaticContact CE1-CZ3 3.68Å; F361-W375 HydrophobicContact CE1-CZ3 3.68Å; F361-W375 HydrophobicContact CE2-CB 4.48Å; F361-W375 HydrophobicContact CE2-CD2 4.11Å; F361-W375 HydrophobicContact CE2-CE3 4.13Å; F361-W375 HydrophobicContact CE2-CG 4.26Å; F361-W375 HydrophobicContact CG-CD2 4.21Å; F361-W375 HydrophobicContact CG-CE3 4.14Å; F361-W375 AromaticContact CG-CH2 3.68Å; F361-W375 HydrophobicContact CG-CH2 3.68Å; F361-W375 AromaticContact CG-CZ2 3.85Å; F361-W375 HydrophobicContact CG-CZ2 3.85Å; F361-W375 AromaticContact CG-CZ3 3.86Å; F361-W375 HydrophobicContact CG-CZ3 3.86Å; F361-W375 HydrophobicContact CZ-CD2 4.39Å; F361-W375 AromaticContact CZ-CE3 3.95Å; F361-W375 HydrophobicContact CZ-CE3 3.95Å; F361-W375 HydrophobicContact CZ-CZ3 4.24Å; S371-W375 WeakPolarHBondContact O-CB 3.34Å; S371-W375 PolarHBondContact O-N 3.2Å; A372-W375 PolarHBondContact O-N 3.08Å; V373-W375 VanDerWaalsContact C-N 3.28Å; V373-W375 PolarHBondContact O-N 3.33Å; W375-A378 PolarHBondContact O-N 3.34Å; W375-R379 HydrophobicContact CD2-CG 4.03Å; W375-R379 HydrophobicContact CE3-CG 3.95Å; W375-R379 HydrophobicContact CH2-CG 4.04Å; W375-R379 HydrophobicContact CZ2-CG 4.04Å; W375-R379 HydrophobicContact CZ3-CG 3.98Å; W375-R379 WeakPolarHBondContact O-CG 3.32Å; W375-R379 PolarHBondContact O-N 3.38Å; W375-R379 VanDerWaalsContact O-N 3.07Å; W375-V434 HydrophobicContact CE3-CG1 4.45Å; W375-V434 HydrophobicContact CZ3-CG1 4.39Å; W375-L438 HydrophobicContact CE3-CD1 4.02Å; W375-L438 HydrophobicContact CH2-CD1 3.98Å; W375-L438 HydrophobicContact CZ3-CD1 3.29Å
376	A	94.2	Very high	91.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.3	-44	175.1	0	0	0	0	0	111.9	A372 V373 A378 R379 L380 V434 V458	A372-A376 WeakPolarHBondContact O-CB 3.21Å; A372-A376 PolarHBondContact O-N 3.26Å; V373-A376 PolarHBondContact O-N 3.03Å; A376-A378 PolarHBondContact O-N 3.14Å; A376-R379 PolarHBondContact O-N 3.26Å; A376-L380 WeakPolarHBondContact O-CB 3.26Å; A376-L380 WeakPolarHBondContact O-CG 3.35Å; A376-L380 PolarHBondContact O-N 2.89Å; A376-V434 HydrophobicContact CB-CG1 3.82Å; A376-V458 HydrophobicContact CB-CB 4.06Å; A376-V458 HydrophobicContact CB-CG1 4.25Å; A376-V458 HydrophobicContact CB-CG2 3.74Å
377	F	95.7	Very high	91.9	Very high	59 Å²	59	51.9 Å²	51.9	26%	0.259	27%	0.267	S	S	.	.	H	α-helix	trans	-55.3	-49.6	174.7	172.9	-103	0	0	0	111.6	V373 Q374 R379 L380 N381 L389 A407	V373-F377 PolarHBondContact O-N 3.29Å; Q374-F377 PolarHBondContact O-N 2.8Å; F377-R379 VanDerWaalsContact C-N 3.34Å; F377-R379 PolarHBondContact O-N 3.09Å; F377-L380 PolarHBondContact O-N 2.94Å; F377-N381 WeakPolarHBondContact O-CB 3.5Å; F377-N381 PolarHBondContact O-N 3.41Å; F377-L389 HydrophobicContact CB-CD1 4.45Å; F377-L389 HydrophobicContact CD2-CB 4.22Å; F377-L389 HydrophobicContact CE2-CB 4.35Å; F377-L389 HydrophobicContact CG-CD1 4.43Å; F377-A407 HydrophobicContact CB-CB 3.84Å
378	A	94.1	Very high	92.4	Very high	39 Å²	39	50.8 Å²	50.8	32%	0.322	26%	0.262	S	S	.	.	H	α-helix	trans	-59.6	-43.2	178.2	0	0	0	0	0	112.2	Q374 W375 A376 N381 E382	Q374-A378 PolarHBondContact O-N 2.92Å; W375-A378 PolarHBondContact O-N 3.34Å; A376-A378 PolarHBondContact O-N 3.14Å; A378-N381 PolarHBondContact O-N 3.45Å; A378-E382 WeakPolarHBondContact O-CG 3.22Å; A378-E382 PolarHBondContact O-N 2.89Å
379	R	92.8	Very high	92.7	Very high	53 Å²	53	44.2 Å²	44.2	20%	0.2	24%	0.241	C	C	.	.	H	α-helix	trans	-68.3	-39.7	178.3	-63.1	-60.4	122.9	-161.5	-17.5	112.5	W375 A376 F377 N381 E382 L383 L438	W375-R379 HydrophobicContact CD2-CG 4.03Å; W375-R379 HydrophobicContact CE3-CG 3.95Å; W375-R379 HydrophobicContact CH2-CG 4.04Å; W375-R379 HydrophobicContact CZ2-CG 4.04Å; W375-R379 HydrophobicContact CZ3-CG 3.98Å; W375-R379 WeakPolarHBondContact O-CG 3.32Å; W375-R379 PolarHBondContact O-N 3.38Å; W375-R379 VanDerWaalsContact O-N 3.07Å; A376-R379 PolarHBondContact O-N 3.26Å; F377-R379 VanDerWaalsContact C-N 3.34Å; F377-R379 PolarHBondContact O-N 3.09Å; R379-N381 VanDerWaalsContact C-N 3.28Å; R379-N381 PolarHBondContact O-N 3.23Å; R379-E382 VanDerWaalsContact CZ-CD 3.4Å; R379-E382 IonicContact CZ-OE1 2.93Å; R379-E382 IonicContact CZ-OE2 3.19Å; R379-E382 IonicContact NE-OE1 2.64Å; R379-E382 IonicContact NE-OE2 2.8Å; R379-E382 IonicContact NH1-OE1 3.87Å; R379-E382 PolarHBondContact NH1-OE1 3.4Å; R379-E382 IonicContact NH1-OE2 2.79Å; R379-E382 PolarHBondContact NH1-OE2 2.84Å; R379-E382 IonicContact NH2-OE1 2.72Å; R379-E382 PolarHBondContact NH2-OE1 3.28Å; R379-E382 IonicContact NH2-OE2 3.82Å; R379-E382 PolarHBondContact O-N 2.92Å; R379-L383 WeakPolarHBondContact O-CG 3.46Å; R379-L383 PolarHBondContact O-N 3.37Å; R379-L438 HydrophobicContact CB-CD1 3.68Å; R379-L438 HydrophobicContact CB-CD2 3.8Å; R379-L438 HydrophobicContact CB-CG 4.38Å; R379-L438 HydrophobicContact CG-CD1 3.88Å
380	L	94.3	Very high	93	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.4	-36	175.5	-71	171	0	0	0	111.3	A376 F377 L383 L385 T387 L438 A441 F456	A376-L380 WeakPolarHBondContact O-CB 3.26Å; A376-L380 WeakPolarHBondContact O-CG 3.35Å; A376-L380 PolarHBondContact O-N 2.89Å; F377-L380 PolarHBondContact O-N 2.94Å; L380-L383 WeakPolarHBondContact O-CB 2.97Å; L380-L383 PolarHBondContact O-N 3.07Å; L380-L385 HydrophobicContact CB-CD1 4.45Å; L380-L385 HydrophobicContact CD2-CD1 3.67Å; L380-L385 PolarHBondContact O-N 3.48Å; L380-T387 HydrophobicContact CB-CG2 3.51Å; L380-L438 HydrophobicContact CD2-CD2 3.66Å; L380-L438 HydrophobicContact CG-CD2 3.72Å; L380-A441 HydrophobicContact CD2-CB 4.19Å; L380-F456 HydrophobicContact CD2-CB 4.22Å
381	N	94.3	Very high	93.2	Very high	83 Å²	83	44.6 Å²	44.6	44%	0.444	24%	0.242	S	C	.	.	H	α-helix	trans	-70.4	-38.5	178.4	-159.7	8.9	0	0	0	111.5	F377 A378 R379 L383 S384 T387	F377-N381 WeakPolarHBondContact O-CB 3.5Å; F377-N381 PolarHBondContact O-N 3.41Å; A378-N381 PolarHBondContact O-N 3.45Å; R379-N381 VanDerWaalsContact C-N 3.28Å; R379-N381 PolarHBondContact O-N 3.23Å; N381-L383 PolarHBondContact O-N 2.93Å; N381-S384 PolarHBondContact O-N 3.13Å; N381-T387 HydrophobicContact CB-CG2 4.2Å; N381-T387 PolarHBondContact OD1-OG1 2.92Å
382	E	93	Very high	93.3	Very high	117 Å²	117	42.2 Å²	42.2	55%	0.547	23%	0.225	S	C	.	.	H	α-helix	trans	-60.7	-25.3	170.5	-73.3	175.1	-176.6	0	0	113.3	A378 R379 S384	A378-E382 WeakPolarHBondContact O-CG 3.22Å; A378-E382 PolarHBondContact O-N 2.89Å; R379-E382 VanDerWaalsContact CZ-CD 3.4Å; R379-E382 IonicContact CZ-OE1 2.93Å; R379-E382 IonicContact CZ-OE2 3.19Å; R379-E382 IonicContact NE-OE1 2.64Å; R379-E382 IonicContact NE-OE2 2.8Å; R379-E382 IonicContact NH1-OE1 3.87Å; R379-E382 PolarHBondContact NH1-OE1 3.4Å; R379-E382 IonicContact NH1-OE2 2.79Å; R379-E382 PolarHBondContact NH1-OE2 2.84Å; R379-E382 IonicContact NH2-OE1 2.72Å; R379-E382 PolarHBondContact NH2-OE1 3.28Å; R379-E382 IonicContact NH2-OE2 3.82Å; R379-E382 PolarHBondContact O-N 2.92Å; E382-S384 PolarHBondContact O-N 3.46Å
383	L	90.4	Very high	93.2	Very high	30 Å²	30	44.8 Å²	44.8	16%	0.157	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	2.6	173.6	-66	178.9	0	0	0	113.5	R379 L380 N381 L385 A441 K442 L445	R379-L383 WeakPolarHBondContact O-CG 3.46Å; R379-L383 PolarHBondContact O-N 3.37Å; L380-L383 WeakPolarHBondContact O-CB 2.97Å; L380-L383 PolarHBondContact O-N 3.07Å; N381-L383 PolarHBondContact O-N 2.93Å; L383-L385 HydrophobicContact CB-CD1 4.23Å; L383-L385 HydrophobicContact CB-CG 4.16Å; L383-L385 HydrophobicContact CD1-CD1 4.43Å; L383-L385 PolarHBondContact O-N 3.47Å; L383-A441 HydrophobicContact CD1-CB 3.99Å; L383-K442 HydrophobicContact CD1-CB 4.49Å; L383-K442 HydrophobicContact CD2-CB 4.2Å; L383-K442 HydrophobicContact CD2-CD 3.37Å; L383-K442 HydrophobicContact CD2-CG 4.37Å; L383-L445 HydrophobicContact CB-CD1 3.69Å; L383-L445 HydrophobicContact CD1-CD1 4.16Å; L383-L445 HydrophobicContact CD2-CD1 4.41Å; L383-L445 HydrophobicContact CG-CD1 4.31Å
384	S	89.1	Confident	92.7	Very high	112 Å²	112	44.9 Å²	44.9	78%	0.783	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	34.7	-176.9	-52.4	0	0	0	0	113.1	N381 E382	N381-S384 PolarHBondContact O-N 3.13Å; E382-S384 PolarHBondContact O-N 3.46Å
385	L	92.1	Very high	91.7	Very high	12 Å²	12	44.3 Å²	44.3	6%	0.063	24%	0.238	C	C	.	.			trans	-84.1	155	170.3	-65.8	171.8	0	0	0	110.4	L380 L383 T387 L411 A441 L445 F456	L380-L385 HydrophobicContact CB-CD1 4.45Å; L380-L385 HydrophobicContact CD2-CD1 3.67Å; L380-L385 PolarHBondContact O-N 3.48Å; L383-L385 HydrophobicContact CB-CD1 4.23Å; L383-L385 HydrophobicContact CB-CG 4.16Å; L383-L385 HydrophobicContact CD1-CD1 4.43Å; L383-L385 PolarHBondContact O-N 3.47Å; L385-T387 HydrophobicContact CB-CG2 4.14Å; L385-T387 PolarHBondContact O-N 2.84Å; L385-L411 HydrophobicContact CD2-CB 3.79Å; L385-L411 HydrophobicContact CD2-CD1 4.09Å; L385-A441 HydrophobicContact CD1-CB 4.42Å; L385-L445 HydrophobicContact CD1-CD1 4.26Å; L385-L445 HydrophobicContact CD2-CD1 3.92Å; L385-L445 HydrophobicContact CD2-CD2 3.75Å; L385-L445 HydrophobicContact CD2-CG 4.02Å; L385-L445 HydrophobicContact CG-CD1 4.04Å; L385-F456 HydrophobicContact CD1-CD2 4.27Å
386	E	92.3	Very high	90.2	Very high	72 Å²	72	42.5 Å²	42.5	34%	0.336	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	96.9	169.3	-70.4	-179.4	-173.9	0	0	108.6	G409 L410 R412 F488	E386-G409 WeakPolarHBondContact O-CA 3.47Å; E386-L410 HydrophobicContact CB-CB 4.17Å; E386-L410 PolarHBondContact N-O 3.47Å; E386-L410 PolarHBondContact O-N 3.38Å; E386-R412 VanDerWaalsContact CD-NH2 3.34Å; E386-R412 IonicContact OE1-CZ 3.37Å; E386-R412 IonicContact OE1-NE 3.54Å; E386-R412 PolarHBondContact OE1-NE 2.89Å; E386-R412 IonicContact OE1-NH1 2.67Å; E386-R412 PolarHBondContact OE1-NH1 3.07Å; E386-R412 IonicContact OE1-NH2 3.4Å; E386-R412 PolarHBondContact OE1-NH2 3.45Å; E386-R412 IonicContact OE2-CZ 2.68Å; E386-R412 IonicContact OE2-NE 3.65Å; E386-R412 PolarHBondContact OE2-NE 3.22Å; E386-R412 IonicContact OE2-NH1 3.84Å; E386-R412 IonicContact OE2-NH2 2.65Å; E386-R412 PolarHBondContact OE2-NH2 3.46Å; E386-F488 HydrophobicContact CB-CE1 4.26Å; E386-F488 HydrophobicContact CB-CZ 4.4Å
387	T	94.2	Very high	88.4	Confident	28 Å²	28	47.8 Å²	47.8	17%	0.172	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	152.2	-173.2	54.7	0	0	0	0	112.7	L380 N381 L385 Y408	L380-T387 HydrophobicContact CB-CG2 3.51Å; N381-T387 HydrophobicContact CB-CG2 4.2Å; N381-T387 PolarHBondContact OD1-OG1 2.92Å; L385-T387 HydrophobicContact CB-CG2 4.14Å; L385-T387 PolarHBondContact O-N 2.84Å; T387-Y408 CarbonylContact C-O 3.27Å; T387-Y408 VanDerWaalsContact CA-O 3.26Å; T387-Y408 WeakPolarHBondContact CA-O 3.17Å
388	G	93.5	Very high	86.6	Confident	9 Å²	9	50.1 Å²	50.1	9%	0.093	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	156.8	169.6	0	0	0	0	0	111	Y408	G388-Y408 PolarHBondContact N-O 2.88Å; G388-Y408 WeakPolarHBondContact O-CD1 3.28Å; G388-Y408 PolarHBondContact O-N 3.02Å
389	L	94.6	Very high	84.9	Confident	56 Å²	56	49.9 Å²	49.9	29%	0.293	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	124.8	171.2	-172.5	139.3	0	0	0	106.4	F377 T405 T406	F377-L389 HydrophobicContact CB-CD1 4.45Å; F377-L389 HydrophobicContact CD2-CB 4.22Å; F377-L389 HydrophobicContact CE2-CB 4.35Å; F377-L389 HydrophobicContact CG-CD1 4.43Å; L389-T405 HydrophobicContact CD2-CG2 4.19Å; L389-T406 WeakPolarHBondContact CA-O 3.37Å
390	Q	93.8	Very high	83.6	Confident	2 Å²	2	56 Å²	56	1%	0.009	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	112.7	176.8	-175.9	-174.1	43.9	0	0	108.6	T405 T406 Y408 W469 T472 A483 E484	Q390-T405 WeakPolarHBondContact O-CA 3.41Å; Q390-T406 PolarHBondContact N-O 3.34Å; Q390-T406 PolarHBondContact O-N 3.37Å; Q390-Y408 HydrophobicContact CB-CE1 4.09Å; Q390-W469 VanDerWaalsContact OE1-CD1 3.27Å; Q390-T472 PolarHBondContact NE2-OG1 2.71Å; Q390-A483 HydrophobicContact CG-CB 4.34Å; Q390-E484 HydrophobicContact CG-CB 4.29Å; Q390-E484 PolarHBondContact NE2-O 3.34Å
391	S	94	Very high	82.9	Confident	39 Å²	39	61.2 Å²	61.2	27%	0.273	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	136.6	167.5	-49.3	0	0	0	0	109.3	E484	S391-E484 PolarHBondContact N-OE2 3Å; S391-E484 PolarHBondContact O-N 3.25Å; S391-E484 VanDerWaalsContact O-N 3.09Å; S391-E484 PolarHBondContact OG-OE1 3.38Å; S391-E484 PolarHBondContact OG-OE2 3.06Å
392	Y	93.3	Very high	82.4	Confident	1 Å²	1	59.7 Å²	59.7	0%	0.004	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	146.7	174.9	62.4	-90.3	0	0	0	110.9	S403 G404 L464 G465 A468 I481 H482	Y392-S403 WeakPolarHBondContact O-CA 3.03Å; Y392-G404 VanDerWaalsContact CD1-O 3.24Å; Y392-G404 WeakPolarHBondContact CD1-O 3.39Å; Y392-G404 VanDerWaalsContact CE1-C 3.4Å; Y392-G404 WeakPolarHBondContact CE1-O 3.21Å; Y392-G404 PolarHBondContact N-O 3.14Å; Y392-G404 PolarHBondContact O-N 3.29Å; Y392-L464 HydrophobicContact CE2-CB 4.22Å; Y392-G465 WeakPolarHBondContact OH-CA 3.33Å; Y392-G465 PolarHBondContact OH-N 3.06Å; Y392-A468 HydrophobicContact CD1-CB 3.96Å; Y392-A468 HydrophobicContact CD2-CB 4.11Å; Y392-A468 HydrophobicContact CG-CB 3.7Å; Y392-I481 HydrophobicContact CD2-CG2 4.45Å; Y392-H482 CarbonylContact C-O 3.48Å; Y392-H482 WeakPolarHBondContact CA-O 3.48Å
393	T	91.2	Very high	82.2	Confident	54 Å²	54	58 Å²	58	33%	0.331	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	137.2	179.4	57.1	0	0	0	0	110.4	H482	T393-H482 PolarHBondContact N-O 3.41Å; T393-H482 PolarHBondContact O-N 3.37Å
394	I	83.9	Confident	82.3	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.01	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	115.2	179	-54.5	175.7	0	0	0	107.3	N401 I402 L464 I481 L862	I394-N401 WeakPolarHBondContact O-CA 3.29Å; I394-N401 PolarHBondContact O-OD1 2.9Å; I394-I402 PolarHBondContact N-O 3.33Å; I394-L464 HydrophobicContact CD1-CD1 4.08Å; I394-L464 HydrophobicContact CD1-CD2 3.76Å; I394-L464 HydrophobicContact CD1-CG 4.4Å; I394-I481 HydrophobicContact CG1-CG1 4.25Å; I394-L862 HydrophobicContact CD1-CD1 4.12Å; I394-L862 HydrophobicContact CD1-CD2 4.49Å; I394-L862 HydrophobicContact CG2-CD1 4.45Å; I394-L862 HydrophobicContact CG2-CD2 3.85Å
395	H	72.4	Confident	82.6	Confident	109 Å²	109	52.5 Å²	52.5	51%	0.505	30%	0.299	S	S	.	.			trans	-96.2	91.4	171.6	-66.1	-62.4	0	0	0	108.1	H482	H395-H482 AromaticContact CD2-ND1 3.86Å
396	S	61.2	Low	82.8	Confident	16 Å²	16	52 Å²	52	11%	0.112	30%	0.296	C	S	.	.			trans	-98.5	134.3	175.9	-173	0	0	0	0	110	L398 G399	S396-L398 PolarHBondContact OG-N 3.26Å; S396-G399 PolarHBondContact OG-N 3.46Å; S396-G399 VanDerWaalsContact OG-N 3.08Å
397	S	57.3	Low	83	Confident	111 Å²	111	48.5 Å²	48.5	78%	0.776	28%	0.28	S	S	*	.	S	Bend	trans	-76.1	-25.4	169.3	53.3	0	0	0	0	112.8
398	L	56.4	Low	83.1	Confident	107 Å²	107	47.4 Å²	47.4	56%	0.56	27%	0.273	S	S	*	.	S	Bend	trans	-96.1	-22.9	-176.4	-79.7	137.8	0	0	0	113	S396 M857 M861	S396-L398 PolarHBondContact OG-N 3.26Å; L398-M857 HydrophobicContact CD1-CE 3.97Å; L398-M857 HydrophobicContact CD2-CE 3.93Å; L398-M861 HydrophobicContact CD1-SD 3.82Å
399	G	59.5	Low	83.2	Confident	35 Å²	35	47 Å²	47	36%	0.361	27%	0.268	S	S	.	.	S	Bend	trans	-122.2	-177	-173.3	0	0	0	0	0	114	S396	S396-G399 PolarHBondContact OG-N 3.46Å; S396-G399 VanDerWaalsContact OG-N 3.08Å
400	K	65.7	Low	83.2	Confident	180 Å²	180	44.4 Å²	44.4	78%	0.783	26%	0.255	S	S	*	.			trans	-74.9	143.5	170.8	-67.2	-179.8	-179	176.3	0	109.2	I402	K400-I402 PolarHBondContact O-N 3.1Å; K400-I402 VanDerWaalsContact O-N 3.1Å
401	N	78.2	Confident	83.2	Confident	110 Å²	110	45.2 Å²	45.2	59%	0.588	26%	0.26	S	S	*	.			trans	-64.3	113.7	167.3	-68	-21.1	0	0	0	108.3	I394	I394-N401 WeakPolarHBondContact O-CA 3.29Å; I394-N401 PolarHBondContact O-OD1 2.9Å
402	I	84.3	Confident	83.1	Confident	51 Å²	51	48.6 Å²	48.6	26%	0.262	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121.9	178.4	-64.8	160.7	0	0	0	106.9	I394 K400 L464 Y858	I394-I402 PolarHBondContact N-O 3.33Å; K400-I402 PolarHBondContact O-N 3.1Å; K400-I402 VanDerWaalsContact O-N 3.1Å; I402-L464 HydrophobicContact CG2-CD1 4.46Å; I402-Y858 WeakPolarHBondContact CD1-OH 3.38Å
403	S	89.7	Confident	82.7	Confident	81 Å²	81	49.2 Å²	49.2	57%	0.566	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104	140.2	168.5	58.6	0	0	0	0	108.6	Y392	Y392-S403 WeakPolarHBondContact O-CA 3.03Å
404	G	92.5	Very high	82.1	Confident	4 Å²	4	56.3 Å²	56.3	4%	0.041	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	165.7	173.3	0	0	0	0	0	111.7	Y392 E460	Y392-G404 VanDerWaalsContact CD1-O 3.24Å; Y392-G404 WeakPolarHBondContact CD1-O 3.39Å; Y392-G404 VanDerWaalsContact CE1-C 3.4Å; Y392-G404 WeakPolarHBondContact CE1-O 3.21Å; Y392-G404 PolarHBondContact N-O 3.14Å; Y392-G404 PolarHBondContact O-N 3.29Å; G404-E460 WeakPolarHBondContact CA-OE2 3.45Å
405	T	94.8	Very high	81.5	Confident	24 Å²	24	65.5 Å²	65.5	15%	0.147	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	138.7	177	52.8	0	0	0	0	111	L389 Q390 E460	L389-T405 HydrophobicContact CD2-CG2 4.19Å; Q390-T405 WeakPolarHBondContact O-CA 3.41Å; T405-E460 PolarHBondContact N-OE2 2.81Å; T405-E460 WeakPolarHBondContact O-CB 3.3Å; T405-E460 PolarHBondContact O-N 3.24Å; T405-E460 VanDerWaalsContact O-N 3.11Å; T405-E460 PolarHBondContact OG1-OE2 2.98Å
406	T	95.6	Very high	81.4	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	123.6	172.7	-64.7	0	0	0	0	108.6	L389 Q390 M457 H459 G465	L389-T406 WeakPolarHBondContact CA-O 3.37Å; Q390-T406 PolarHBondContact N-O 3.34Å; Q390-T406 PolarHBondContact O-N 3.37Å; T406-M457 HydrophobicContact CG2-CE 3.87Å; T406-H459 VanDerWaalsContact CG2-ND1 3.28Å; T406-H459 WeakPolarHBondContact CG2-ND1 3.48Å; T406-H459 PolarHBondContact OG1-ND1 2.7Å; T406-G465 WeakPolarHBondContact OG1-CA 3.5Å
407	A	96.6	Very high	81.9	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	138.5	170.6	0	0	0	0	0	109.3	V373 F377 M457 V458	V373-A407 HydrophobicContact CG1-CB 3.57Å; F377-A407 HydrophobicContact CB-CB 3.84Å; A407-M457 CarbonylContact O-C 3.59Å; A407-M457 WeakPolarHBondContact O-CA 3.13Å; A407-V458 PolarHBondContact N-O 3.4Å; A407-V458 PolarHBondContact O-N 3.5Å
408	Y	95.9	Very high	82.8	Confident	4 Å²	4	62.2 Å²	62.2	2%	0.016	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	153	176	59.1	-88.4	0	0	0	111.5	T387 G388 Q390 M455 F456 W469 P487 F488	T387-Y408 CarbonylContact C-O 3.27Å; T387-Y408 VanDerWaalsContact CA-O 3.26Å; T387-Y408 WeakPolarHBondContact CA-O 3.17Å; G388-Y408 PolarHBondContact N-O 2.88Å; G388-Y408 WeakPolarHBondContact O-CD1 3.28Å; G388-Y408 PolarHBondContact O-N 3.02Å; Q390-Y408 HydrophobicContact CB-CE1 4.09Å; Y408-M455 HydrophobicContact CD2-CE 4.16Å; Y408-M455 HydrophobicContact CD2-SD 3.95Å; Y408-M455 HydrophobicContact CG-SD 4.34Å; Y408-F456 CarbonylContact C-O 3.52Å; Y408-F456 WeakPolarHBondContact CA-O 3.19Å; Y408-W469 AromaticContact CD1-CD1 3.81Å; Y408-W469 AromaticContact CD1-NE1 3.4Å; Y408-W469 AromaticContact CE1-CD1 3.97Å; Y408-W469 AromaticContact CE1-NE1 3.55Å; Y408-W469 AromaticContact CG-NE1 3.72Å; Y408-W469 AromaticContact CZ-NE1 3.99Å; Y408-P487 VanDerWaalsContact OH-CD 3.25Å; Y408-P487 WeakPolarHBondContact OH-CD 3.33Å; Y408-F488 HydrophobicContact CD2-CE1 4.34Å; Y408-F488 AromaticContact CD2-CZ 3.75Å; Y408-F488 HydrophobicContact CD2-CZ 3.75Å; Y408-F488 AromaticContact CE2-CE1 3.62Å; Y408-F488 HydrophobicContact CE2-CE1 3.62Å; Y408-F488 HydrophobicContact CE2-CE2 4.33Å; Y408-F488 AromaticContact CE2-CZ 3.42Å; Y408-F488 HydrophobicContact CE2-CZ 3.42Å; Y408-F488 VanDerWaalsContact CE2-CZ 3.42Å
409	G	95.9	Very high	84.2	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	118.5	179.1	0	0	0	0	0	110.8	E386 F456	E386-G409 WeakPolarHBondContact O-CA 3.47Å; G409-F456 PolarHBondContact N-O 2.9Å; G409-F456 PolarHBondContact O-N 3.44Å
410	L	95.4	Very high	85.7	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.01	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	122.9	-178.8	175.5	65.2	0	0	0	111	E386 R412 N453 M455 F488 A490	E386-L410 HydrophobicContact CB-CB 4.17Å; E386-L410 PolarHBondContact N-O 3.47Å; E386-L410 PolarHBondContact O-N 3.38Å; L410-R412 HydrophobicContact CD2-CG 3.91Å; L410-R412 HydrophobicContact CG-CG 4.09Å; L410-N453 HydrophobicContact CD1-CB 3.9Å; L410-M455 HydrophobicContact CB-CE 3.99Å; L410-M455 HydrophobicContact CB-SD 4.06Å; L410-M455 HydrophobicContact CD1-CE 4.2Å; L410-F488 HydrophobicContact CB-CE2 3.66Å; L410-F488 HydrophobicContact CB-CZ 3.81Å; L410-F488 HydrophobicContact CD2-CD2 3.73Å; L410-F488 HydrophobicContact CD2-CE2 3.49Å; L410-F488 VanDerWaalsContact CD2-CE2 3.49Å; L410-F488 HydrophobicContact CD2-CZ 4.35Å; L410-F488 HydrophobicContact CG-CE2 4.16Å; L410-A490 HydrophobicContact CD1-CB 3.72Å; L410-A490 HydrophobicContact CD2-CB 3.97Å; L410-A490 HydrophobicContact CG-CB 4.47Å
411	L	93.8	Very high	86.9	Confident	20 Å²	20	52.8 Å²	52.8	11%	0.105	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	105.5	164.4	173.9	56.4	0	0	0	108.8	L385 F444 L445 N453 I454 F456	L385-L411 HydrophobicContact CD2-CB 3.79Å; L385-L411 HydrophobicContact CD2-CD1 4.09Å; L411-F444 HydrophobicContact CD2-CB 4.11Å; L411-L445 HydrophobicContact CD1-CD2 3.43Å; L411-L445 VanDerWaalsContact CD1-CD2 3.43Å; L411-L445 HydrophobicContact CD1-CG 4.06Å; L411-L445 HydrophobicContact CD2-CG 4.43Å; L411-N453 WeakPolarHBondContact O-CA 3.49Å; L411-I454 HydrophobicContact CB-CB 4.31Å; L411-I454 WeakPolarHBondContact CB-O 3.35Å; L411-I454 HydrophobicContact CD2-CD1 4.47Å; L411-I454 PolarHBondContact N-O 2.81Å; L411-I454 PolarHBondContact O-N 3.14Å; L411-F456 HydrophobicContact CB-CE2 4.03Å; L411-F456 HydrophobicContact CD2-CE2 4.28Å
412	R	90.7	Very high	87.7	Confident	109 Å²	109	47.8 Å²	47.8	41%	0.411	25%	0.245	S	C	.	.			trans	-74	137.6	172.1	-70.5	-166.2	179.4	142	8.4	111.4	E386 L410 N453	E386-R412 VanDerWaalsContact CD-NH2 3.34Å; E386-R412 IonicContact OE1-CZ 3.37Å; E386-R412 IonicContact OE1-NE 3.54Å; E386-R412 PolarHBondContact OE1-NE 2.89Å; E386-R412 IonicContact OE1-NH1 2.67Å; E386-R412 PolarHBondContact OE1-NH1 3.07Å; E386-R412 IonicContact OE1-NH2 3.4Å; E386-R412 PolarHBondContact OE1-NH2 3.45Å; E386-R412 IonicContact OE2-CZ 2.68Å; E386-R412 IonicContact OE2-NE 3.65Å; E386-R412 PolarHBondContact OE2-NE 3.22Å; E386-R412 IonicContact OE2-NH1 3.84Å; E386-R412 IonicContact OE2-NH2 2.65Å; E386-R412 PolarHBondContact OE2-NH2 3.46Å; L410-R412 HydrophobicContact CD2-CG 3.91Å; L410-R412 HydrophobicContact CG-CG 4.09Å; R412-N453 VanDerWaalsContact CA-OD1 3.32Å; R412-N453 WeakPolarHBondContact CA-OD1 3.29Å
413	T	85.6	Confident	88.3	Confident	14 Å²	14	45.4 Å²	45.4	9%	0.086	23%	0.232	C	C	.	.			trans	-61.9	146.3	173.1	179.1	0	0	0	0	111	R415 G416 W450 A451 N453	T413-R415 PolarHBondContact OG1-N 3.35Å; T413-G416 WeakPolarHBondContact CG2-O 3.46Å; T413-G416 PolarHBondContact OG1-N 2.86Å; T413-W450 PolarHBondContact OG1-O 3.49Å; T413-A451 WeakPolarHBondContact CB-O 3.46Å; T413-A451 WeakPolarHBondContact CG2-O 3.37Å; T413-A451 VanDerWaalsContact OG1-C 3.3Å; T413-A451 WeakPolarHBondContact OG1-CA 3.49Å; T413-A451 PolarHBondContact OG1-O 2.99Å; T413-A451 VanDerWaalsContact OG1-O 3.13Å; T413-N453 WeakPolarHBondContact CG2-OD1 3.37Å; T413-N453 PolarHBondContact N-OD1 3.21Å
414	R	79.3	Confident	88.7	Confident	204 Å²	204	41.6 Å²	41.6	77%	0.77	21%	0.206	S	C	*	.	S	Bend	trans	-92.1	-21.1	172.9	-61.7	-175.8	-175.2	-146	1.9	112.9
415	R	70.6	Confident	88.9	Confident	195 Å²	195	41.4 Å²	41.4	74%	0.736	20%	0.204	S	C	*	.	S	Bend	trans	-113.4	-0.6	-169.8	-71.7	-170.1	173.4	-161.7	-1	114.3	T413 P448	T413-R415 PolarHBondContact OG1-N 3.35Å; R415-P448 WeakPolarHBondContact CD-O 3.29Å
416	G	69.8	Low	89	Confident	31 Å²	31	40.2 Å²	40.2	32%	0.32	20%	0.197	S	C	.	.	S	Bend	trans	-126.4	167.7	-176.3	0	0	0	0	0	113.1	T413 S418	T413-G416 WeakPolarHBondContact CG2-O 3.46Å; T413-G416 PolarHBondContact OG1-N 2.86Å; G416-S418 PolarHBondContact O-N 3.5Å
417	S	72.2	Confident	89	Confident	96 Å²	96	40.2 Å²	40.2	67%	0.671	20%	0.197	S	C	*	.			trans	-70.9	8.3	178.4	53.4	0	0	0	0	114.4	T419	S417-T419 PolarHBondContact O-N 2.94Å; S417-T419 VanDerWaalsContact OG-CG2 3.25Å; S417-T419 WeakPolarHBondContact OG-CG2 3.41Å; S417-T419 PolarHBondContact OG-OG1 3.45Å; S417-T419 VanDerWaalsContact OG-OG1 3.05Å
418	S	77.4	Confident	88.8	Confident	39 Å²	39	40.3 Å²	40.3	27%	0.273	20%	0.197	S	C	.	.	S	Bend	trans	54.5	22.8	-176.4	-67.6	0	0	0	0	114.2	G416 N453	G416-S418 PolarHBondContact O-N 3.5Å; S418-N453 WeakPolarHBondContact CA-ND2 3.36Å; S418-N453 WeakPolarHBondContact CB-ND2 3.14Å; S418-N453 PolarHBondContact O-ND2 3.49Å; S418-N453 PolarHBondContact OG-OD1 3.41Å
419	T	84.2	Confident	88.5	Confident	84 Å²	84	45.1 Å²	45.1	52%	0.515	22%	0.223	S	C	.	.			trans	-81	-19.7	-176.5	48.1	0	0	0	0	113.7	S417 G491 R492	S417-T419 PolarHBondContact O-N 2.94Å; S417-T419 VanDerWaalsContact OG-CG2 3.25Å; S417-T419 WeakPolarHBondContact OG-CG2 3.41Å; S417-T419 PolarHBondContact OG-OG1 3.45Å; S417-T419 VanDerWaalsContact OG-OG1 3.05Å; T419-G491 CarbonylContact O-C 3.57Å; T419-G491 WeakPolarHBondContact O-CA 3.16Å; T419-R492 PolarHBondContact O-N 3.16Å
420	K	90.6	Very high	88.2	Confident	40 Å²	40	46.3 Å²	46.3	17%	0.174	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	146	-173.7	-66.1	171.1	174.2	-127.1	0	111.4	K452 N453 R492 E494 Q627	K420-K452 HydrophobicContact CB-CD 4.19Å; K420-K452 HydrophobicContact CB-CG 4.09Å; K420-N453 WeakPolarHBondContact O-CB 3.11Å; K420-N453 PolarHBondContact O-N 3.14Å; K420-R492 CarbonylContact C-O 3.52Å; K420-R492 WeakPolarHBondContact CA-O 3.31Å; K420-E494 VanDerWaalsContact CD-OE1 3.25Å; K420-E494 WeakPolarHBondContact CD-OE1 3.32Å; K420-E494 VanDerWaalsContact CE-OE1 3.29Å; K420-E494 WeakPolarHBondContact CE-OE1 3.27Å; K420-E494 IonicContact NZ-OE1 3.99Å; K420-E494 PolarHBondContact NZ-OE1 2.84Å; K420-Q627 WeakPolarHBondContact CE-O 3.36Å; K420-Q627 PolarHBondContact NZ-O 3.1Å
421	C	92.8	Very high	88	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.007	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	146	-175.3	-172	0	0	0	0	111.9	N453 A490 R492 I493 E494	C421-N453 CarbonylContact C-O 3.52Å; C421-N453 VanDerWaalsContact CA-O 3.3Å; C421-N453 WeakPolarHBondContact CA-O 3.5Å; C421-N453 HydrophobicContact CB-CB 4.25Å; C421-A490 HydrophobicContact CB-CB 4.22Å; C421-A490 WeakPolarHBondContact CB-O 3.13Å; C421-R492 PolarHBondContact N-O 3.13Å; C421-I493 HydrophobicContact CB-CG1 4.21Å; C421-I493 WeakPolarHBondContact O-CA 3.46Å; C421-E494 PolarHBondContact O-N 3.15Å
422	V	95	Very high	87.9	Confident	5 Å²	5	46 Å²	46	3%	0.03	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.1	168.2	-178	0	0	0	0	108.8	K452 N453 I454 M455 V495 L620 V623	V422-K452 HydrophobicContact CG2-CD 4.17Å; V422-N453 PolarHBondContact N-O 2.96Å; V422-I454 CarbonylContact O-C 3.47Å; V422-I454 WeakPolarHBondContact O-CA 3.34Å; V422-M455 PolarHBondContact O-N 3.3Å; V422-V495 WeakPolarHBondContact CA-O 3.29Å; V422-V495 HydrophobicContact CG1-CB 4.22Å; V422-V495 HydrophobicContact CG1-CG1 4.49Å; V422-V495 WeakPolarHBondContact CG1-O 3.19Å; V422-L620 HydrophobicContact CB-CD2 4.38Å; V422-L620 HydrophobicContact CG1-CD2 3.43Å; V422-L620 VanDerWaalsContact CG1-CD2 3.43Å; V422-V623 HydrophobicContact CG2-CG1 3.83Å
423	I	96.7	Very high	88	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	135.5	177.3	-64.7	175	0	0	0	109.7	M455 M457 M466 W469 L470 I493 V495 A496 L497	I423-M455 CarbonylContact C-O 3.47Å; I423-M455 WeakPolarHBondContact CA-O 3.41Å; I423-M455 HydrophobicContact CG1-CB 4.12Å; I423-M455 HydrophobicContact CG1-CG 4.45Å; I423-M457 HydrophobicContact CD1-SD 4.12Å; I423-M457 HydrophobicContact CG1-SD 4.41Å; I423-M457 HydrophobicContact CG2-CG 4.17Å; I423-M457 HydrophobicContact CG2-SD 3.75Å; I423-M466 HydrophobicContact CD1-CE 4.47Å; I423-M466 HydrophobicContact CD1-SD 4.49Å; I423-M466 HydrophobicContact CG2-CE 3.99Å; I423-W469 HydrophobicContact CD1-CZ3 4.17Å; I423-L470 HydrophobicContact CD1-CD2 4.42Å; I423-I493 HydrophobicContact CD1-CD1 3.95Å; I423-I493 HydrophobicContact CD1-CG1 4.21Å; I423-I493 HydrophobicContact CD1-CG2 3.65Å; I423-I493 HydrophobicContact CG1-CG1 4.5Å; I423-I493 HydrophobicContact CG1-CG2 3.82Å; I423-V495 PolarHBondContact N-O 3.46Å; I423-A496 HydrophobicContact CB-CB 3.92Å; I423-A496 HydrophobicContact CG2-CB 4.35Å; I423-A496 CarbonylContact O-C 3.54Å; I423-A496 WeakPolarHBondContact O-CA 3.33Å; I423-L497 PolarHBondContact O-N 3.17Å
424	V	97.7	Very high	88.4	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	116.5	166.7	-170.6	0	0	0	0	107.6	L437 I454 M455 F456 M457 L497 I499 L620	V424-L437 HydrophobicContact CB-CD1 4.11Å; V424-L437 HydrophobicContact CG1-CD1 3.5Å; V424-L437 VanDerWaalsContact CG1-CD1 3.5Å; V424-I454 HydrophobicContact CG2-CG2 3.92Å; V424-M455 PolarHBondContact N-O 3.29Å; V424-F456 HydrophobicContact CB-CD1 4.01Å; V424-F456 HydrophobicContact CB-CE1 4.2Å; V424-F456 HydrophobicContact CG1-CD1 4.49Å; V424-F456 HydrophobicContact CG2-CE1 4.45Å; V424-F456 CarbonylContact O-C 3.53Å; V424-F456 VanDerWaalsContact O-CA 3.25Å; V424-F456 WeakPolarHBondContact O-CA 3.43Å; V424-M457 PolarHBondContact O-N 3.32Å; V424-L497 CarbonylContact C-O 3.59Å; V424-L497 VanDerWaalsContact CA-O 3.28Å; V424-L497 WeakPolarHBondContact CA-O 3.4Å; V424-I499 HydrophobicContact CG1-CD1 3.33Å; V424-I499 HydrophobicContact CG1-CG1 4.28Å; V424-L620 HydrophobicContact CG2-CD1 3.95Å; V424-L620 HydrophobicContact CG2-CD2 4.2Å
425	S	96.9	Very high	89	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	156.4	-173.5	55.6	0	0	0	0	112.3	M457 L497 N498 I499	S425-M457 CarbonylContact C-O 3.59Å; S425-M457 WeakPolarHBondContact CA-O 3.36Å; S425-L497 PolarHBondContact N-O 2.86Å; S425-L497 PolarHBondContact OG-O 3.24Å; S425-N498 CarbonylContact O-C 3.57Å; S425-N498 WeakPolarHBondContact O-CA 3.37Å; S425-N498 PolarHBondContact O-OD1 3.25Å; S425-N498 WeakPolarHBondContact OG-CA 3.48Å; S425-N498 WeakPolarHBondContact OG-CB 3.32Å; S425-N498 PolarHBondContact OG-OD1 3.21Å; S425-I499 PolarHBondContact O-N 3.22Å
426	A	96.6	Very high	90.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	144.1	170.7	0	0	0	0	0	111	L437 M457 V458 H459	A426-L437 HydrophobicContact CB-CB 4.02Å; A426-L437 HydrophobicContact CB-CD2 3.99Å; A426-L437 HydrophobicContact CB-CG 4.42Å; A426-M457 PolarHBondContact N-O 2.93Å; A426-V458 WeakPolarHBondContact O-CA 3.09Å; A426-H459 PolarHBondContact O-N 2.93Å
427	P	95	Very high	91.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	136.1	175.1	29.7	-33.8	0	0	0	111	D429 S430 I499 R500	P427-D429 PolarHBondContact O-N 3.28Å; P427-S430 PolarHBondContact O-N 3.19Å; P427-I499 WeakPolarHBondContact CD-O 3.49Å; P427-R500 HydrophobicContact CG-CG 4Å
428	A	92.3	Very high	92.4	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.008	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-23	178.3	0	0	0	0	0	113.7	A369 A372 V373 S430 V458 H459	A369-A428 HydrophobicContact CB-CB 4Å; A372-A428 HydrophobicContact CB-CB 4.19Å; V373-A428 HydrophobicContact CG2-CB 3.69Å; A428-S430 PolarHBondContact O-N 3.37Å; A428-V458 HydrophobicContact CB-CG1 3.98Å; A428-H459 WeakPolarHBondContact CB-O 3.2Å; A428-H459 PolarHBondContact N-O 3.06Å
429	D	89.6	Confident	93.2	Very high	105 Å²	105	13.5 Å²	13.5	56%	0.561	8%	0.077	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-26.1	176.4	-60.7	-30.1	0	0	0	113	P427	P427-D429 PolarHBondContact O-N 3.28Å
430	S	90.5	Very high	93.7	Very high	25 Å²	25	9.5 Å²	9.5	18%	0.175	5%	0.053	C	C	.	.			trans	-107.8	101.3	177.1	-179.9	0	0	0	0	110.4	P427 A428 S432 S433 V434 T501	P427-S430 PolarHBondContact O-N 3.19Å; A428-S430 PolarHBondContact O-N 3.37Å; S430-S432 PolarHBondContact O-N 3.11Å; S430-S433 WeakPolarHBondContact CB-OG 3.26Å; S430-S433 WeakPolarHBondContact O-CB 3.37Å; S430-S433 PolarHBondContact O-N 2.99Å; S430-S433 PolarHBondContact OG-N 2.85Å; S430-S433 PolarHBondContact OG-OG 2.78Å; S430-V434 PolarHBondContact O-N 2.96Å; S430-T501 PolarHBondContact OG-O 3.49Å
431	S	91	Very high	93.8	Very high	13 Å²	13	7.6 Å²	7.6	9%	0.091	4%	0.044	C	C	.	.	H	α-helix	trans	-55.8	-38.5	173.7	56.3	0	0	0	0	112.2	F361 S362 Q364 V434 A435	F361-S431 WeakPolarHBondContact CE1-O 3.39Å; F361-S431 VanDerWaalsContact O-CB 3.25Å; F361-S431 WeakPolarHBondContact O-CB 3.16Å; F361-S431 PolarHBondContact O-OG 3.44Å; S362-S431 PolarHBondContact O-OG 2.88Å; Q364-S431 PolarHBondContact O-OG 3.09Å; S431-V434 PolarHBondContact O-N 2.94Å; S431-A435 VanDerWaalsContact O-CB 3.31Å; S431-A435 WeakPolarHBondContact O-CB 3.49Å; S431-A435 PolarHBondContact O-N 3.13Å
432	S	90.6	Very high	93.8	Very high	4 Å²	4	12.4 Å²	12.4	3%	0.028	7%	0.065	C	C	.	.	H	α-helix	trans	-60.6	-43.7	173.4	-78.3	0	0	0	0	112.6	S362 S430 A435 F436 T501 F503	S362-S432 PolarHBondContact O-OG 2.82Å; S430-S432 PolarHBondContact O-N 3.11Å; S432-A435 PolarHBondContact O-N 3.41Å; S432-F436 WeakPolarHBondContact O-CB 3.29Å; S432-F436 PolarHBondContact O-N 2.93Å; S432-T501 VanDerWaalsContact CB-O 3.23Å; S432-T501 WeakPolarHBondContact CB-O 3.35Å; S432-F503 WeakPolarHBondContact O-CE2 3.28Å; S432-F503 WeakPolarHBondContact OG-CD2 3.43Å; S432-F503 PolarHBondContact OG-N 2.86Å
433	S	93.6	Very high	93.7	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-64.3	-44.6	177.2	-57.3	0	0	0	0	112	S430 F436 L437 I499 R500 T501	S430-S433 WeakPolarHBondContact CB-OG 3.26Å; S430-S433 WeakPolarHBondContact O-CB 3.37Å; S430-S433 PolarHBondContact O-N 2.99Å; S430-S433 PolarHBondContact OG-N 2.85Å; S430-S433 PolarHBondContact OG-OG 2.78Å; S433-F436 PolarHBondContact O-N 3.34Å; S433-L437 WeakPolarHBondContact O-CB 3.34Å; S433-L437 PolarHBondContact O-N 3.48Å; S433-I499 WeakPolarHBondContact CB-O 3.31Å; S433-R500 WeakPolarHBondContact OG-CA 3.48Å; S433-T501 PolarHBondContact N-O 2.64Å; S433-T501 PolarHBondContact OG-N 2.91Å; S433-T501 PolarHBondContact OG-O 3.42Å
434	V	94.2	Very high	93.5	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.3	-45.2	177.4	173.2	0	0	0	0	110.9	F361 W375 A376 S430 S431 F436 L437 L438 V458	F361-V434 HydrophobicContact CE1-CB 4.02Å; F361-V434 HydrophobicContact CE1-CG1 3.95Å; F361-V434 HydrophobicContact CZ-CG1 4.38Å; W375-V434 HydrophobicContact CE3-CG1 4.45Å; W375-V434 HydrophobicContact CZ3-CG1 4.39Å; A376-V434 HydrophobicContact CB-CG1 3.82Å; S430-V434 PolarHBondContact O-N 2.96Å; S431-V434 PolarHBondContact O-N 2.94Å; V434-F436 VanDerWaalsContact C-N 3.32Å; V434-F436 PolarHBondContact O-N 2.92Å; V434-L437 WeakPolarHBondContact O-CB 3.37Å; V434-L437 PolarHBondContact O-N 3.11Å; V434-L438 HydrophobicContact CG1-CD1 4.47Å; V434-L438 WeakPolarHBondContact O-CG 3.45Å; V434-L438 PolarHBondContact O-N 3.35Å; V434-V458 HydrophobicContact CG1-CG2 4.3Å; V434-V458 HydrophobicContact CG2-CG1 3.7Å; V434-V458 HydrophobicContact CG2-CG2 4.37Å
435	A	92.8	Very high	93.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.1	-39.7	176.5	0	0	0	0	0	112	F352 L358 F361 S431 S432 L438 Y439 F503	F352-A435 HydrophobicContact CE1-CB 3.92Å; F352-A435 HydrophobicContact CZ-CB 4.2Å; L358-A435 HydrophobicContact CD2-CB 4.22Å; F361-A435 HydrophobicContact CD1-CB 4.47Å; S431-A435 VanDerWaalsContact O-CB 3.31Å; S431-A435 WeakPolarHBondContact O-CB 3.49Å; S431-A435 PolarHBondContact O-N 3.13Å; S432-A435 PolarHBondContact O-N 3.41Å; A435-L438 PolarHBondContact O-N 2.81Å; A435-Y439 WeakPolarHBondContact O-CB 3.42Å; A435-Y439 PolarHBondContact O-N 3.1Å; A435-F503 HydrophobicContact CB-CE2 4.31Å
436	F	93.8	Very high	92.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-68	-37.6	175.6	-170.7	-108.5	0	0	0	112.5	S432 S433 V434 Y439 L440 I499 T501 F503 F612 A613 L616	S432-F436 WeakPolarHBondContact O-CB 3.29Å; S432-F436 PolarHBondContact O-N 2.93Å; S433-F436 PolarHBondContact O-N 3.34Å; V434-F436 VanDerWaalsContact C-N 3.32Å; V434-F436 PolarHBondContact O-N 2.92Å; F436-Y439 AromaticContact CD2-CD1 3.86Å; F436-Y439 HydrophobicContact CD2-CD1 3.86Å; F436-Y439 HydrophobicContact CD2-CE1 4.44Å; F436-Y439 AromaticContact CE2-CD1 3.95Å; F436-Y439 HydrophobicContact CE2-CD1 3.95Å; F436-Y439 HydrophobicContact CE2-CE1 4.08Å; F436-Y439 WeakPolarHBondContact O-CB 3.36Å; F436-Y439 PolarHBondContact O-N 2.9Å; F436-L440 HydrophobicContact CD1-CD1 4.04Å; F436-L440 HydrophobicContact CD1-CG 4.41Å; F436-L440 HydrophobicContact CE1-CD1 3.87Å; F436-L440 HydrophobicContact CE1-CD2 4.48Å; F436-L440 HydrophobicContact CE1-CG 4.27Å; F436-L440 HydrophobicContact CZ-CD2 4.49Å; F436-L440 WeakPolarHBondContact O-CG 3.47Å; F436-L440 PolarHBondContact O-N 3.36Å; F436-I499 HydrophobicContact CD1-CG2 3.86Å; F436-I499 HydrophobicContact CE1-CG2 4.12Å; F436-T501 HydrophobicContact CB-CG2 3.6Å; F436-T501 HydrophobicContact CD1-CG2 3.95Å; F436-T501 HydrophobicContact CD2-CG2 4.47Å; F436-T501 HydrophobicContact CG-CG2 3.78Å; F436-F503 HydrophobicContact CB-CE2 4.03Å; F436-F503 HydrophobicContact CB-CZ 3.73Å; F436-F503 HydrophobicContact CD2-CE1 4.14Å; F436-F503 AromaticContact CD2-CZ 3.66Å; F436-F503 HydrophobicContact CD2-CZ 3.66Å; F436-F503 HydrophobicContact CG-CZ 4.11Å; F436-F612 HydrophobicContact CD1-CD1 4.4Å; F436-F612 HydrophobicContact CD1-CE1 4.27Å; F436-F612 AromaticContact CE1-CD1 3.45Å; F436-F612 HydrophobicContact CE1-CD1 3.45Å; F436-F612 VanDerWaalsContact CE1-CD1 3.45Å; F436-F612 AromaticContact CE1-CE1 3.55Å; F436-F612 HydrophobicContact CE1-CE1 3.55Å; F436-F612 HydrophobicContact CE2-CD1 4.48Å; F436-F612 AromaticContact CZ-CD1 3.5Å; F436-F612 HydrophobicContact CZ-CD1 3.5Å; F436-F612 VanDerWaalsContact CZ-CD1 3.5Å; F436-F612 HydrophobicContact CZ-CE1 4.11Å; F436-F612 HydrophobicContact CZ-CG 4.35Å; F436-A613 HydrophobicContact CE2-CB 4.1Å; F436-A613 HydrophobicContact CZ-CB 3.87Å; F436-L616 HydrophobicContact CE1-CD1 3.57Å; F436-L616 HydrophobicContact CZ-CD1 4.25Å
437	L	95.6	Very high	92.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60.8	-46.1	173.9	-174.1	74.6	0	0	0	111.5	V424 A426 S433 V434 Y439 L440 A441 F456 M457 V458 I499	V424-L437 HydrophobicContact CB-CD1 4.11Å; V424-L437 HydrophobicContact CG1-CD1 3.5Å; V424-L437 VanDerWaalsContact CG1-CD1 3.5Å; A426-L437 HydrophobicContact CB-CB 4.02Å; A426-L437 HydrophobicContact CB-CD2 3.99Å; A426-L437 HydrophobicContact CB-CG 4.42Å; S433-L437 WeakPolarHBondContact O-CB 3.34Å; S433-L437 PolarHBondContact O-N 3.48Å; V434-L437 WeakPolarHBondContact O-CB 3.37Å; V434-L437 PolarHBondContact O-N 3.11Å; L437-Y439 VanDerWaalsContact C-N 3.29Å; L437-Y439 PolarHBondContact O-N 3.27Å; L437-L440 WeakPolarHBondContact O-CB 3.42Å; L437-L440 PolarHBondContact O-N 2.93Å; L437-L440 VanDerWaalsContact O-N 3.15Å; L437-A441 PolarHBondContact O-N 3.3Å; L437-F456 HydrophobicContact CD1-CD1 3.85Å; L437-F456 HydrophobicContact CD2-CB 4.42Å; L437-F456 HydrophobicContact CG-CD1 4.19Å; L437-M457 VanDerWaalsContact CD2-O 3.27Å; L437-M457 WeakPolarHBondContact CD2-O 2.96Å; L437-V458 HydrophobicContact CD2-CG2 3.53Å; L437-I499 HydrophobicContact CD1-CD1 4.45Å
438	L	93.9	Very high	91.7	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.021	14%	0.137	C	C	.	.	H	α-helix	trans	-63.2	-37.7	177	-68.9	172.8	0	0	0	112.1	L358 W375 R379 L380 V434 A435 A441 K442	L358-L438 HydrophobicContact CD2-CB 4.32Å; L358-L438 HydrophobicContact CD2-CD1 3.81Å; W375-L438 HydrophobicContact CE3-CD1 4.02Å; W375-L438 HydrophobicContact CH2-CD1 3.98Å; W375-L438 HydrophobicContact CZ3-CD1 3.29Å; R379-L438 HydrophobicContact CB-CD1 3.68Å; R379-L438 HydrophobicContact CB-CD2 3.8Å; R379-L438 HydrophobicContact CB-CG 4.38Å; R379-L438 HydrophobicContact CG-CD1 3.88Å; L380-L438 HydrophobicContact CD2-CD2 3.66Å; L380-L438 HydrophobicContact CG-CD2 3.72Å; V434-L438 HydrophobicContact CG1-CD1 4.47Å; V434-L438 WeakPolarHBondContact O-CG 3.45Å; V434-L438 PolarHBondContact O-N 3.35Å; A435-L438 PolarHBondContact O-N 2.81Å; L438-A441 PolarHBondContact O-N 3Å; L438-K442 PolarHBondContact O-N 3.16Å
439	Y	92.9	Very high	91.5	Very high	1 Å²	1	26.9 Å²	26.9	0%	0.004	14%	0.144	C	C	.	.	H	α-helix	trans	-59.9	-44.6	171.8	159	-105.9	0	0	0	112.4	I345 R346 P348 F351 A435 F436 L437 S443 A613	I345-Y439 HydrophobicContact CD1-CE1 4.04Å; I345-Y439 HydrophobicContact CG1-CE1 4.4Å; I345-Y439 VanDerWaalsContact CG1-OH 3.26Å; I345-Y439 WeakPolarHBondContact CG1-OH 3.44Å; R346-Y439 PolarHBondContact O-OH 2.91Å; P348-Y439 HydrophobicContact CB-CD1 4Å; P348-Y439 HydrophobicContact CB-CD2 4.39Å; P348-Y439 HydrophobicContact CB-CE1 3.79Å; P348-Y439 HydrophobicContact CB-CE2 4.19Å; P348-Y439 HydrophobicContact CB-CG 4.27Å; F351-Y439 HydrophobicContact CB-CD2 3.53Å; F351-Y439 HydrophobicContact CB-CE2 3.85Å; F351-Y439 AromaticContact CD1-CD2 3.49Å; F351-Y439 HydrophobicContact CD1-CD2 3.49Å; F351-Y439 VanDerWaalsContact CD1-CD2 3.49Å; F351-Y439 HydrophobicContact CD1-CG 4.03Å; F351-Y439 HydrophobicContact CE1-CD2 4.31Å; F351-Y439 AromaticContact CG-CD2 3.61Å; F351-Y439 HydrophobicContact CG-CD2 3.61Å; F351-Y439 HydrophobicContact CG-CE2 4.35Å; A435-Y439 WeakPolarHBondContact O-CB 3.42Å; A435-Y439 PolarHBondContact O-N 3.1Å; F436-Y439 AromaticContact CD2-CD1 3.86Å; F436-Y439 HydrophobicContact CD2-CD1 3.86Å; F436-Y439 HydrophobicContact CD2-CE1 4.44Å; F436-Y439 AromaticContact CE2-CD1 3.95Å; F436-Y439 HydrophobicContact CE2-CD1 3.95Å; F436-Y439 HydrophobicContact CE2-CE1 4.08Å; F436-Y439 WeakPolarHBondContact O-CB 3.36Å; F436-Y439 PolarHBondContact O-N 2.9Å; L437-Y439 VanDerWaalsContact C-N 3.29Å; L437-Y439 PolarHBondContact O-N 3.27Å; Y439-S443 VanDerWaalsContact CE2-OG 3.3Å; Y439-S443 WeakPolarHBondContact CE2-OG 3.41Å; Y439-S443 WeakPolarHBondContact O-CB 3.41Å; Y439-S443 PolarHBondContact O-N 2.9Å; Y439-S443 PolarHBondContact O-OG 3.23Å; Y439-A613 HydrophobicContact CE1-CB 3.81Å
440	L	94.8	Very high	91.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.2	-44.4	174.6	-67.1	173.3	0	0	0	110.9	I345 F436 L437 K442 S443 F444 F456 I499 A613 L616	I345-L440 HydrophobicContact CD1-CD2 3.67Å; F436-L440 HydrophobicContact CD1-CD1 4.04Å; F436-L440 HydrophobicContact CD1-CG 4.41Å; F436-L440 HydrophobicContact CE1-CD1 3.87Å; F436-L440 HydrophobicContact CE1-CD2 4.48Å; F436-L440 HydrophobicContact CE1-CG 4.27Å; F436-L440 HydrophobicContact CZ-CD2 4.49Å; F436-L440 WeakPolarHBondContact O-CG 3.47Å; F436-L440 PolarHBondContact O-N 3.36Å; L437-L440 WeakPolarHBondContact O-CB 3.42Å; L437-L440 PolarHBondContact O-N 2.93Å; L437-L440 VanDerWaalsContact O-N 3.15Å; L440-K442 PolarHBondContact O-N 3.14Å; L440-S443 PolarHBondContact O-N 3.5Å; L440-S443 VanDerWaalsContact O-N 3.15Å; L440-F444 HydrophobicContact CB-CE2 4.29Å; L440-F444 HydrophobicContact CB-CZ 4.44Å; L440-F444 HydrophobicContact CD2-CE1 4.36Å; L440-F444 HydrophobicContact CD2-CZ 4.05Å; L440-F444 WeakPolarHBondContact O-CB 3.37Å; L440-F444 VanDerWaalsContact O-CG 3.26Å; L440-F444 WeakPolarHBondContact O-CG 3.36Å; L440-F444 PolarHBondContact O-N 2.67Å; L440-F456 HydrophobicContact CB-CE1 4.44Å; L440-I499 HydrophobicContact CD1-CD1 3.5Å; L440-I499 VanDerWaalsContact CD1-CD1 3.5Å; L440-A613 HydrophobicContact CD2-CB 4.35Å; L440-L616 HydrophobicContact CD1-CD1 3.59Å
441	A	94.6	Very high	91.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-57	-49.3	177.8	0	0	0	0	0	111.9	L380 L383 L385 L437 L438 S443 F444 L445 F456	L380-A441 HydrophobicContact CD2-CB 4.19Å; L383-A441 HydrophobicContact CD1-CB 3.99Å; L385-A441 HydrophobicContact CD1-CB 4.42Å; L437-A441 PolarHBondContact O-N 3.3Å; L438-A441 PolarHBondContact O-N 3Å; A441-S443 PolarHBondContact O-N 3.02Å; A441-F444 PolarHBondContact O-N 3.14Å; A441-L445 WeakPolarHBondContact O-CB 3.49Å; A441-L445 WeakPolarHBondContact O-CD1 3.44Å; A441-L445 WeakPolarHBondContact O-CG 3.41Å; A441-L445 PolarHBondContact O-N 3.15Å; A441-F456 VanDerWaalsContact CA-CZ 3.44Å; A441-F456 HydrophobicContact CB-CD1 4.03Å; A441-F456 HydrophobicContact CB-CD2 3.81Å; A441-F456 HydrophobicContact CB-CE1 3.98Å; A441-F456 HydrophobicContact CB-CE2 3.75Å; A441-F456 HydrophobicContact CB-CG 3.95Å; A441-F456 HydrophobicContact CB-CZ 3.84Å
442	K	92.5	Very high	91.4	Very high	102 Å²	102	23 Å²	23	44%	0.443	13%	0.126	S	C	.	.	H	α-helix	trans	-60.5	-44.7	174.8	-177.1	74.6	-179.2	-179	0	112	F351 L383 L438 L440 L445 S446	F351-K442 HydrophobicContact CD2-CB 4.44Å; F351-K442 HydrophobicContact CD2-CG 4.12Å; F351-K442 HydrophobicContact CE2-CB 3.7Å; F351-K442 HydrophobicContact CE2-CD 4.32Å; F351-K442 HydrophobicContact CE2-CG 3.5Å; F351-K442 VanDerWaalsContact CE2-CG 3.5Å; F351-K442 HydrophobicContact CZ-CB 3.81Å; F351-K442 HydrophobicContact CZ-CG 4.12Å; L383-K442 HydrophobicContact CD1-CB 4.49Å; L383-K442 HydrophobicContact CD2-CB 4.2Å; L383-K442 HydrophobicContact CD2-CD 3.37Å; L383-K442 HydrophobicContact CD2-CG 4.37Å; L438-K442 PolarHBondContact O-N 3.16Å; L440-K442 PolarHBondContact O-N 3.14Å; K442-L445 PolarHBondContact O-N 2.98Å; K442-S446 PolarHBondContact O-N 3.4Å
443	S	92	Very high	91.6	Very high	16 Å²	16	22.9 Å²	22.9	11%	0.112	13%	0.125	C	C	.	.	H	α-helix	trans	-63	-44.4	-177.7	-62.6	0	0	0	0	111.2	Y439 L440 A441 S446	Y439-S443 VanDerWaalsContact CE2-OG 3.3Å; Y439-S443 WeakPolarHBondContact CE2-OG 3.41Å; Y439-S443 WeakPolarHBondContact O-CB 3.41Å; Y439-S443 PolarHBondContact O-N 2.9Å; Y439-S443 PolarHBondContact O-OG 3.23Å; L440-S443 PolarHBondContact O-N 3.5Å; L440-S443 VanDerWaalsContact O-N 3.15Å; A441-S443 PolarHBondContact O-N 3.02Å; S443-S446 PolarHBondContact O-N 3.2Å; S443-S446 PolarHBondContact O-OG 3Å
444	F	92.7	Very high	91.7	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.009	13%	0.126	C	C	.	.	H	α-helix	trans	-72.6	-34.6	-178.6	-65.7	-5.9	0	0	0	112.3	I345 L411 L440 A441 S446 R447 W450 I454 F456 E617 L620	I345-F444 HydrophobicContact CD1-CE1 3.93Å; L411-F444 HydrophobicContact CD2-CB 4.11Å; L440-F444 HydrophobicContact CB-CE2 4.29Å; L440-F444 HydrophobicContact CB-CZ 4.44Å; L440-F444 HydrophobicContact CD2-CE1 4.36Å; L440-F444 HydrophobicContact CD2-CZ 4.05Å; L440-F444 WeakPolarHBondContact O-CB 3.37Å; L440-F444 VanDerWaalsContact O-CG 3.26Å; L440-F444 WeakPolarHBondContact O-CG 3.36Å; L440-F444 PolarHBondContact O-N 2.67Å; A441-F444 PolarHBondContact O-N 3.14Å; F444-S446 PolarHBondContact O-N 3.46Å; F444-R447 PolarHBondContact O-N 3.27Å; F444-R447 VanDerWaalsContact O-N 3.08Å; F444-W450 HydrophobicContact CB-CZ2 3.83Å; F444-W450 HydrophobicContact CD1-CH2 4.09Å; F444-W450 AromaticContact CD1-CZ2 3.36Å; F444-W450 HydrophobicContact CD1-CZ2 3.36Å; F444-W450 HydrophobicContact CD2-CH2 4.22Å; F444-W450 AromaticContact CD2-CZ2 3.84Å; F444-W450 HydrophobicContact CD2-CZ2 3.84Å; F444-W450 HydrophobicContact CE1-CH2 4.04Å; F444-W450 AromaticContact CE1-CZ2 3.78Å; F444-W450 HydrophobicContact CE1-CZ2 3.78Å; F444-W450 HydrophobicContact CE2-CH2 4.26Å; F444-W450 HydrophobicContact CE2-CZ2 4.27Å; F444-W450 AromaticContact CG-CE2 3.93Å; F444-W450 HydrophobicContact CG-CH2 4.18Å; F444-W450 AromaticContact CG-CZ2 3.38Å; F444-W450 HydrophobicContact CG-CZ2 3.38Å; F444-W450 HydrophobicContact CZ-CH2 4.15Å; F444-W450 HydrophobicContact CZ-CZ2 4.22Å; F444-W450 PolarHBondContact O-NE1 3.16Å; F444-I454 HydrophobicContact CD2-CD1 3.97Å; F444-F456 HydrophobicContact CB-CZ 4.41Å; F444-F456 HydrophobicContact CD2-CE1 4.22Å; F444-F456 AromaticContact CD2-CZ 3.84Å; F444-F456 HydrophobicContact CD2-CZ 3.84Å; F444-E617 HydrophobicContact CE1-CB 4.25Å; F444-E617 HydrophobicContact CE1-CG 4.38Å; F444-L620 HydrophobicContact CD2-CD1 4.26Å; F444-L620 HydrophobicContact CE2-CD1 3.25Å; F444-L620 HydrophobicContact CZ-CD1 3.69Å
445	L	90.5	Very high	91.8	Very high	39 Å²	39	23.1 Å²	23.1	20%	0.204	13%	0.126	C	C	.	.	H	α-helix	trans	-56.3	-34	171.2	-89.2	164.2	0	0	0	113.4	L383 L385 L411 A441 K442 R447	L383-L445 HydrophobicContact CB-CD1 3.69Å; L383-L445 HydrophobicContact CD1-CD1 4.16Å; L383-L445 HydrophobicContact CD2-CD1 4.41Å; L383-L445 HydrophobicContact CG-CD1 4.31Å; L385-L445 HydrophobicContact CD1-CD1 4.26Å; L385-L445 HydrophobicContact CD2-CD1 3.92Å; L385-L445 HydrophobicContact CD2-CD2 3.75Å; L385-L445 HydrophobicContact CD2-CG 4.02Å; L385-L445 HydrophobicContact CG-CD1 4.04Å; L411-L445 HydrophobicContact CD1-CD2 3.43Å; L411-L445 VanDerWaalsContact CD1-CD2 3.43Å; L411-L445 HydrophobicContact CD1-CG 4.06Å; L411-L445 HydrophobicContact CD2-CG 4.43Å; A441-L445 WeakPolarHBondContact O-CB 3.49Å; A441-L445 WeakPolarHBondContact O-CD1 3.44Å; A441-L445 WeakPolarHBondContact O-CG 3.41Å; A441-L445 PolarHBondContact O-N 3.15Å; K442-L445 PolarHBondContact O-N 2.98Å; L445-R447 PolarHBondContact O-N 3.26Å
446	S	87.4	Confident	92	Very high	72 Å²	72	23.1 Å²	23.1	50%	0.503	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-9.6	-179.9	73.6	0	0	0	0	114.1	K442 S443 F444	K442-S446 PolarHBondContact O-N 3.4Å; S443-S446 PolarHBondContact O-N 3.2Å; S443-S446 PolarHBondContact O-OG 3Å; F444-S446 PolarHBondContact O-N 3.46Å
447	R	86.9	Confident	92.2	Very high	69 Å²	69	23.1 Å²	23.1	26%	0.26	13%	0.126	S	C	.	.			trans	-113.5	129.1	-171.3	-60.1	-62.9	-178.4	-177.5	-6.1	111.5	E344 F444 L445 Y449 W450	E344-R447 PolarHBondContact O-NH2 3.48Å; E344-R447 IonicContact OE2-CZ 2.63Å; E344-R447 VanDerWaalsContact OE2-CZ 3.3Å; E344-R447 IonicContact OE2-NE 2.83Å; E344-R447 IonicContact OE2-NH1 3.71Å; E344-R447 PolarHBondContact OE2-NH1 2.77Å; F444-R447 PolarHBondContact O-N 3.27Å; F444-R447 VanDerWaalsContact O-N 3.08Å; L445-R447 PolarHBondContact O-N 3.26Å; R447-Y449 HydrophobicContact CB-CD1 3.97Å; R447-Y449 HydrophobicContact CB-CE1 3.51Å; R447-Y449 HydrophobicContact CB-CE2 4.31Å; R447-Y449 HydrophobicContact CG-CE1 3.77Å; R447-W450 VanDerWaalsContact O-CD1 3.25Å
448	P	83.8	Confident	92.2	Very high	70 Å²	70	23.1 Å²	23.1	46%	0.455	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	4.7	-174.5	35.6	-36.8	0	0	0	115.1	R415	R415-P448 WeakPolarHBondContact CD-O 3.29Å
449	Y	86.8	Confident	92.3	Very high	42 Å²	42	22.9 Å²	22.9	17%	0.165	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-3.1	-172	55.3	-117.9	0	0	0	114.7	R447 A451 E617 R621 N624	R447-Y449 HydrophobicContact CB-CD1 3.97Å; R447-Y449 HydrophobicContact CB-CE1 3.51Å; R447-Y449 HydrophobicContact CB-CE2 4.31Å; R447-Y449 HydrophobicContact CG-CE1 3.77Å; Y449-A451 PolarHBondContact O-N 2.98Å; Y449-E617 PolarHBondContact OH-OE1 2.84Å; Y449-R621 HydrophobicContact CD2-CG 4.37Å; Y449-R621 HydrophobicContact CE2-CG 3.87Å; Y449-N624 PolarHBondContact O-ND2 2.78Å
450	W	90.6	Very high	92.4	Very high	11 Å²	11	24.1 Å²	24.1	4%	0.042	13%	0.13	C	C	.	.			trans	-67.2	130.8	176.3	-53.6	111.9	0	0	0	110	T413 F444 R447 I454 L620 R621	T413-W450 PolarHBondContact OG1-O 3.49Å; F444-W450 HydrophobicContact CB-CZ2 3.83Å; F444-W450 HydrophobicContact CD1-CH2 4.09Å; F444-W450 AromaticContact CD1-CZ2 3.36Å; F444-W450 HydrophobicContact CD1-CZ2 3.36Å; F444-W450 HydrophobicContact CD2-CH2 4.22Å; F444-W450 AromaticContact CD2-CZ2 3.84Å; F444-W450 HydrophobicContact CD2-CZ2 3.84Å; F444-W450 HydrophobicContact CE1-CH2 4.04Å; F444-W450 AromaticContact CE1-CZ2 3.78Å; F444-W450 HydrophobicContact CE1-CZ2 3.78Å; F444-W450 HydrophobicContact CE2-CH2 4.26Å; F444-W450 HydrophobicContact CE2-CZ2 4.27Å; F444-W450 AromaticContact CG-CE2 3.93Å; F444-W450 HydrophobicContact CG-CH2 4.18Å; F444-W450 AromaticContact CG-CZ2 3.38Å; F444-W450 HydrophobicContact CG-CZ2 3.38Å; F444-W450 HydrophobicContact CZ-CH2 4.15Å; F444-W450 HydrophobicContact CZ-CZ2 4.22Å; F444-W450 PolarHBondContact O-NE1 3.16Å; R447-W450 VanDerWaalsContact O-CD1 3.25Å; W450-I454 HydrophobicContact CD2-CD1 3.63Å; W450-I454 HydrophobicContact CE3-CD1 3.72Å; W450-I454 HydrophobicContact CG-CD1 4.06Å; W450-I454 HydrophobicContact CH2-CD1 4.39Å; W450-I454 HydrophobicContact CZ2-CD1 4.35Å; W450-I454 HydrophobicContact CZ3-CD1 4.1Å; W450-L620 HydrophobicContact CH2-CB 4.11Å; W450-L620 HydrophobicContact CZ3-CB 3.84Å; W450-R621 HydrophobicContact CH2-CG 4.1Å; W450-R621 HydrophobicContact CZ3-CG 3.95Å
451	A	88.2	Confident	92.2	Very high	43 Å²	43	27.4 Å²	27.4	36%	0.355	15%	0.145	S	C	.	.			trans	-103.2	-27.4	175.6	0	0	0	0	0	110.9	T413 Y449 N624	T413-A451 WeakPolarHBondContact CB-O 3.46Å; T413-A451 WeakPolarHBondContact CG2-O 3.37Å; T413-A451 VanDerWaalsContact OG1-C 3.3Å; T413-A451 WeakPolarHBondContact OG1-CA 3.49Å; T413-A451 PolarHBondContact OG1-O 2.99Å; T413-A451 VanDerWaalsContact OG1-O 3.13Å; Y449-A451 PolarHBondContact O-N 2.98Å; A451-N624 WeakPolarHBondContact CA-OD1 3.32Å; A451-N624 WeakPolarHBondContact CB-ND2 3.26Å; A451-N624 WeakPolarHBondContact CB-OD1 3.09Å; A451-N624 PolarHBondContact N-ND2 2.85Å; A451-N624 PolarHBondContact N-OD1 3.3Å
452	K	91.8	Very high	92	Very high	9 Å²	9	28 Å²	28	4%	0.039	15%	0.15	C	C	.	.	S	Bend	trans	-102.8	155.4	175.3	-59.8	-177.4	-176.1	178.2	0	111.7	K420 V422 E494 V623 N624 L626	K420-K452 HydrophobicContact CB-CD 4.19Å; K420-K452 HydrophobicContact CB-CG 4.09Å; V422-K452 HydrophobicContact CG2-CD 4.17Å; K452-E494 WeakPolarHBondContact CE-OE2 3.4Å; K452-E494 IonicContact NZ-OE2 3.29Å; K452-E494 PolarHBondContact NZ-OE2 3.1Å; K452-V623 WeakPolarHBondContact CE-O 3.48Å; K452-V623 PolarHBondContact NZ-O 2.76Å; K452-N624 PolarHBondContact N-OD1 2.92Å; K452-L626 WeakPolarHBondContact CE-O 3.46Å; K452-L626 PolarHBondContact NZ-O 3.43Å
453	N	94.3	Very high	92	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	147.2	170.1	-67.3	-18.8	0	0	0	110.3	L410 L411 R412 T413 S418 K420 C421 V422 A490	L410-N453 HydrophobicContact CD1-CB 3.9Å; L411-N453 WeakPolarHBondContact O-CA 3.49Å; R412-N453 VanDerWaalsContact CA-OD1 3.32Å; R412-N453 WeakPolarHBondContact CA-OD1 3.29Å; T413-N453 WeakPolarHBondContact CG2-OD1 3.37Å; T413-N453 PolarHBondContact N-OD1 3.21Å; S418-N453 WeakPolarHBondContact CA-ND2 3.36Å; S418-N453 WeakPolarHBondContact CB-ND2 3.14Å; S418-N453 PolarHBondContact O-ND2 3.49Å; S418-N453 PolarHBondContact OG-OD1 3.41Å; K420-N453 WeakPolarHBondContact O-CB 3.11Å; K420-N453 PolarHBondContact O-N 3.14Å; C421-N453 CarbonylContact C-O 3.52Å; C421-N453 VanDerWaalsContact CA-O 3.3Å; C421-N453 WeakPolarHBondContact CA-O 3.5Å; C421-N453 HydrophobicContact CB-CB 4.25Å; V422-N453 PolarHBondContact N-O 2.96Å; N453-A490 PolarHBondContact ND2-O 3.11Å
454	I	95.4	Very high	92	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.021	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	120	175.8	-55.8	176.2	0	0	0	108.2	L411 V422 V424 F444 W450 F456	L411-I454 HydrophobicContact CB-CB 4.31Å; L411-I454 WeakPolarHBondContact CB-O 3.35Å; L411-I454 HydrophobicContact CD2-CD1 4.47Å; L411-I454 PolarHBondContact N-O 2.81Å; L411-I454 PolarHBondContact O-N 3.14Å; V422-I454 CarbonylContact O-C 3.47Å; V422-I454 WeakPolarHBondContact O-CA 3.34Å; V424-I454 HydrophobicContact CG2-CG2 3.92Å; F444-I454 HydrophobicContact CD2-CD1 3.97Å; W450-I454 HydrophobicContact CD2-CD1 3.63Å; W450-I454 HydrophobicContact CE3-CD1 3.72Å; W450-I454 HydrophobicContact CG-CD1 4.06Å; W450-I454 HydrophobicContact CH2-CD1 4.39Å; W450-I454 HydrophobicContact CZ2-CD1 4.35Å; W450-I454 HydrophobicContact CZ3-CD1 4.1Å; I454-F456 HydrophobicContact CB-CE2 4.3Å; I454-F456 HydrophobicContact CB-CZ 4.35Å; I454-F456 HydrophobicContact CG2-CD1 4.47Å; I454-F456 HydrophobicContact CG2-CD2 4.39Å; I454-F456 HydrophobicContact CG2-CE1 3.91Å; I454-F456 HydrophobicContact CG2-CE2 3.82Å; I454-F456 HydrophobicContact CG2-CZ 3.54Å
455	M	96	Very high	92	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	115.7	176.3	178.5	67.9	82.2	0	0	109.5	Y408 L410 V422 I423 V424 M457 W469 F488 A490	Y408-M455 HydrophobicContact CD2-CE 4.16Å; Y408-M455 HydrophobicContact CD2-SD 3.95Å; Y408-M455 HydrophobicContact CG-SD 4.34Å; L410-M455 HydrophobicContact CB-CE 3.99Å; L410-M455 HydrophobicContact CB-SD 4.06Å; L410-M455 HydrophobicContact CD1-CE 4.2Å; V422-M455 PolarHBondContact O-N 3.3Å; I423-M455 CarbonylContact C-O 3.47Å; I423-M455 WeakPolarHBondContact CA-O 3.41Å; I423-M455 HydrophobicContact CG1-CB 4.12Å; I423-M455 HydrophobicContact CG1-CG 4.45Å; V424-M455 PolarHBondContact N-O 3.29Å; M455-M457 HydrophobicContact CG-CG 3.65Å; M455-M457 HydrophobicContact CG-SD 3.94Å; M455-W469 HydrophobicContact CE-CH2 4.06Å; M455-W469 HydrophobicContact CE-CZ2 3.69Å; M455-F488 HydrophobicContact CE-CE2 3.62Å; M455-F488 HydrophobicContact CE-CZ 4.08Å; M455-A490 HydrophobicContact CE-CB 3.88Å
456	F	97.7	Very high	92.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	129.2	173.2	-60.9	-78.5	0	0	0	110	L380 L385 Y408 G409 L411 V424 L437 L440 A441 F444 I454	L380-F456 HydrophobicContact CD2-CB 4.22Å; L385-F456 HydrophobicContact CD1-CD2 4.27Å; Y408-F456 CarbonylContact C-O 3.52Å; Y408-F456 WeakPolarHBondContact CA-O 3.19Å; G409-F456 PolarHBondContact N-O 2.9Å; G409-F456 PolarHBondContact O-N 3.44Å; L411-F456 HydrophobicContact CB-CE2 4.03Å; L411-F456 HydrophobicContact CD2-CE2 4.28Å; V424-F456 HydrophobicContact CB-CD1 4.01Å; V424-F456 HydrophobicContact CB-CE1 4.2Å; V424-F456 HydrophobicContact CG1-CD1 4.49Å; V424-F456 HydrophobicContact CG2-CE1 4.45Å; V424-F456 CarbonylContact O-C 3.53Å; V424-F456 VanDerWaalsContact O-CA 3.25Å; V424-F456 WeakPolarHBondContact O-CA 3.43Å; L437-F456 HydrophobicContact CD1-CD1 3.85Å; L437-F456 HydrophobicContact CD2-CB 4.42Å; L437-F456 HydrophobicContact CG-CD1 4.19Å; L440-F456 HydrophobicContact CB-CE1 4.44Å; A441-F456 VanDerWaalsContact CA-CZ 3.44Å; A441-F456 HydrophobicContact CB-CD1 4.03Å; A441-F456 HydrophobicContact CB-CD2 3.81Å; A441-F456 HydrophobicContact CB-CE1 3.98Å; A441-F456 HydrophobicContact CB-CE2 3.75Å; A441-F456 HydrophobicContact CB-CG 3.95Å; A441-F456 HydrophobicContact CB-CZ 3.84Å; F444-F456 HydrophobicContact CB-CZ 4.41Å; F444-F456 HydrophobicContact CD2-CE1 4.22Å; F444-F456 AromaticContact CD2-CZ 3.84Å; F444-F456 HydrophobicContact CD2-CZ 3.84Å; I454-F456 HydrophobicContact CB-CE2 4.3Å; I454-F456 HydrophobicContact CB-CZ 4.35Å; I454-F456 HydrophobicContact CG2-CD1 4.47Å; I454-F456 HydrophobicContact CG2-CD2 4.39Å; I454-F456 HydrophobicContact CG2-CE1 3.91Å; I454-F456 HydrophobicContact CG2-CE2 3.82Å; I454-F456 HydrophobicContact CG2-CZ 3.54Å
457	M	97.1	Very high	92.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	141.2	-176.6	-55.3	-176.2	74.8	0	0	112.5	T406 A407 I423 V424 S425 A426 L437 M455 M466 W469	T406-M457 HydrophobicContact CG2-CE 3.87Å; A407-M457 CarbonylContact O-C 3.59Å; A407-M457 WeakPolarHBondContact O-CA 3.13Å; I423-M457 HydrophobicContact CD1-SD 4.12Å; I423-M457 HydrophobicContact CG1-SD 4.41Å; I423-M457 HydrophobicContact CG2-CG 4.17Å; I423-M457 HydrophobicContact CG2-SD 3.75Å; V424-M457 PolarHBondContact O-N 3.32Å; S425-M457 CarbonylContact C-O 3.59Å; S425-M457 WeakPolarHBondContact CA-O 3.36Å; A426-M457 PolarHBondContact N-O 2.93Å; L437-M457 VanDerWaalsContact CD2-O 3.27Å; L437-M457 WeakPolarHBondContact CD2-O 2.96Å; M455-M457 HydrophobicContact CG-CG 3.65Å; M455-M457 HydrophobicContact CG-SD 3.94Å; M457-M466 HydrophobicContact CE-CE 4.44Å; M457-M466 HydrophobicContact SD-CE 3.82Å; M457-M466 HydrophobicContact SD-SD 4.34Å; M457-W469 HydrophobicContact CE-CB 3.94Å; M457-W469 HydrophobicContact CE-CD2 3.29Å; M457-W469 HydrophobicContact CE-CE3 3.77Å; M457-W469 HydrophobicContact CE-CG 3.33Å; M457-W469 HydrophobicContact CE-CZ2 4.36Å; M457-W469 HydrophobicContact CE-CZ3 4.47Å; M457-W469 HydrophobicContact SD-CD2 4.29Å; M457-W469 HydrophobicContact SD-CE3 4.26Å; M457-W469 HydrophobicContact SD-CZ3 4.49Å
458	V	97.4	Very high	92.8	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	120.8	172.1	-178.4	0	0	0	0	108.5	V373 A376 A407 A426 A428 V434 L437	V373-V458 HydrophobicContact CG2-CG1 4.17Å; A376-V458 HydrophobicContact CB-CB 4.06Å; A376-V458 HydrophobicContact CB-CG1 4.25Å; A376-V458 HydrophobicContact CB-CG2 3.74Å; A407-V458 PolarHBondContact N-O 3.4Å; A407-V458 PolarHBondContact O-N 3.5Å; A426-V458 WeakPolarHBondContact O-CA 3.09Å; A428-V458 HydrophobicContact CB-CG1 3.98Å; V434-V458 HydrophobicContact CG1-CG2 4.3Å; V434-V458 HydrophobicContact CG2-CG1 3.7Å; V434-V458 HydrophobicContact CG2-CG2 4.37Å; L437-V458 HydrophobicContact CD2-CG2 3.53Å
459	H	95	Very high	93.4	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132	-174.8	-54.1	-80.2	0	0	0	110.3	T406 A426 A428 H461 M466	T406-H459 VanDerWaalsContact CG2-ND1 3.28Å; T406-H459 WeakPolarHBondContact CG2-ND1 3.48Å; T406-H459 PolarHBondContact OG1-ND1 2.7Å; A426-H459 PolarHBondContact O-N 2.93Å; A428-H459 WeakPolarHBondContact CB-O 3.2Å; A428-H459 PolarHBondContact N-O 3.06Å; H459-H461 VanDerWaalsContact C-N 3.34Å; H459-M466 VanDerWaalsContact NE2-CE 3.28Å; H459-M466 WeakPolarHBondContact NE2-CE 3.33Å
460	E	94.2	Very high	93.7	Very high	26 Å²	26	10 Å²	10	12%	0.121	6%	0.057	C	C	.	.	S	Bend	trans	-61.4	-46.1	168.1	-176.8	163.9	-172.1	0	0	111	A369 A370 V373 G404 T405	A369-E460 HydrophobicContact CB-CG 3.84Å; A370-E460 WeakPolarHBondContact CB-OE1 3.36Å; V373-E460 HydrophobicContact CG2-CB 4Å; G404-E460 WeakPolarHBondContact CA-OE2 3.45Å; T405-E460 PolarHBondContact N-OE2 2.81Å; T405-E460 WeakPolarHBondContact O-CB 3.3Å; T405-E460 PolarHBondContact O-N 3.24Å; T405-E460 VanDerWaalsContact O-N 3.11Å; T405-E460 PolarHBondContact OG1-OE2 2.98Å
461	H	92	Very high	93.8	Very high	69 Å²	69	9.6 Å²	9.6	32%	0.319	6%	0.056	S	C	.	.	S	Bend	trans	-122.1	112	170.2	-60	-53.1	0	0	0	108.8	H459 S463 L464 G465	H459-H461 VanDerWaalsContact C-N 3.34Å; H461-S463 PolarHBondContact O-N 3.44Å; H461-L464 HydrophobicContact CB-CB 4.02Å; H461-L464 HydrophobicContact CB-CD1 4.22Å; H461-G465 WeakPolarHBondContact O-CA 3.41Å; H461-G465 PolarHBondContact O-N 3.3Å
462	S	90.8	Very high	94	Very high	13 Å²	13	8.1 Å²	8.1	9%	0.091	4%	0.042	C	C	.	.	H	α-helix	trans	-47.1	-62.7	-172.5	-77.3	0	0	0	0	115.4	M466 D579	S462-M466 WeakPolarHBondContact O-CB 3.4Å; S462-M466 PolarHBondContact O-N 2.9Å; S462-M466 VanDerWaalsContact O-N 3.08Å; S462-D579 WeakPolarHBondContact CB-OD1 3.44Å; S462-D579 PolarHBondContact OG-OD1 3.31Å
463	S	91.7	Very high	94	Very high	16 Å²	16	9.5 Å²	9.5	11%	0.112	5%	0.047	C	C	.	.	H	α-helix	trans	-71.6	-45.4	-174.1	51.2	0	0	0	0	111.8	H461 M467 Y863	H461-S463 PolarHBondContact O-N 3.44Å; S463-M467 WeakPolarHBondContact O-CB 3.41Å; S463-M467 PolarHBondContact O-N 2.89Å; S463-Y863 WeakPolarHBondContact CB-OH 3.05Å; S463-Y863 PolarHBondContact OG-OH 3.05Å
464	L	91.6	Very high	93.8	Very high	15 Å²	15	13 Å²	13	8%	0.079	6%	0.064	C	C	.	.	H	α-helix	trans	-64.2	-46	178.3	-68.3	173.1	0	0	0	112.4	Y392 I394 I402 H461 M467 A468 L862 Y863	Y392-L464 HydrophobicContact CE2-CB 4.22Å; I394-L464 HydrophobicContact CD1-CD1 4.08Å; I394-L464 HydrophobicContact CD1-CD2 3.76Å; I394-L464 HydrophobicContact CD1-CG 4.4Å; I402-L464 HydrophobicContact CG2-CD1 4.46Å; H461-L464 HydrophobicContact CB-CB 4.02Å; H461-L464 HydrophobicContact CB-CD1 4.22Å; L464-M467 WeakPolarHBondContact O-CB 3.16Å; L464-M467 PolarHBondContact O-N 2.95Å; L464-A468 WeakPolarHBondContact O-CB 3.35Å; L464-A468 PolarHBondContact O-N 2.93Å; L464-L862 HydrophobicContact CD2-CD1 3.62Å; L464-Y863 HydrophobicContact CD2-CE1 4.2Å; L464-Y863 HydrophobicContact CD2-CE2 4.43Å; L464-Y863 WeakPolarHBondContact CD2-OH 3.42Å; L464-Y863 VanDerWaalsContact CG-OH 3.24Å; L464-Y863 WeakPolarHBondContact CG-OH 3.43Å; L464-Y863 PolarHBondContact N-OH 2.61Å
465	G	92.7	Very high	93.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-67.2	-37.6	-179.3	0	0	0	0	0	112.1	Y392 T406 H461 W469	Y392-G465 WeakPolarHBondContact OH-CA 3.33Å; Y392-G465 PolarHBondContact OH-N 3.06Å; T406-G465 WeakPolarHBondContact OG1-CA 3.5Å; H461-G465 WeakPolarHBondContact O-CA 3.41Å; H461-G465 PolarHBondContact O-N 3.3Å; G465-W469 WeakPolarHBondContact O-CB 3.4Å; G465-W469 PolarHBondContact O-N 3.35Å; G465-W469 VanDerWaalsContact O-N 3.13Å
466	M	95.2	Very high	92.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-67.3	-41.5	171.3	-174.9	59.8	72.8	0	0	111.7	I423 M457 H459 S462 W469 L470 V580	I423-M466 HydrophobicContact CD1-CE 4.47Å; I423-M466 HydrophobicContact CD1-SD 4.49Å; I423-M466 HydrophobicContact CG2-CE 3.99Å; M457-M466 HydrophobicContact CE-CE 4.44Å; M457-M466 HydrophobicContact SD-CE 3.82Å; M457-M466 HydrophobicContact SD-SD 4.34Å; H459-M466 VanDerWaalsContact NE2-CE 3.28Å; H459-M466 WeakPolarHBondContact NE2-CE 3.33Å; S462-M466 WeakPolarHBondContact O-CB 3.4Å; S462-M466 PolarHBondContact O-N 2.9Å; S462-M466 VanDerWaalsContact O-N 3.08Å; M466-W469 PolarHBondContact O-N 3.29Å; M466-L470 HydrophobicContact CG-CD1 3.59Å; M466-L470 HydrophobicContact CG-CG 4.06Å; M466-L470 WeakPolarHBondContact O-CB 3.23Å; M466-L470 WeakPolarHBondContact O-CG 3.36Å; M466-L470 PolarHBondContact O-N 2.79Å; M466-L470 HydrophobicContact SD-CD1 3.69Å; M466-L470 HydrophobicContact SD-CD2 4.28Å; M466-L470 HydrophobicContact SD-CG 3.65Å; M466-V580 HydrophobicContact CB-CG1 3.98Å; M466-V580 HydrophobicContact CB-CG2 4.4Å; M466-V580 HydrophobicContact CE-CB 4.48Å; M466-V580 HydrophobicContact CE-CG1 3.21Å; M466-V580 HydrophobicContact CG-CG1 3.74Å; M466-V580 HydrophobicContact SD-CG1 4.25Å
467	M	94.1	Very high	92.2	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.015	14%	0.142	C	C	.	.	H	α-helix	trans	-59	-51.8	177.4	-175.9	56.9	-167.9	0	0	111.7	S463 L464 W469 L470 S471 H478 I481 V583 Q586 F587 Y863 F864	S463-M467 WeakPolarHBondContact O-CB 3.41Å; S463-M467 PolarHBondContact O-N 2.89Å; L464-M467 WeakPolarHBondContact O-CB 3.16Å; L464-M467 PolarHBondContact O-N 2.95Å; M467-W469 VanDerWaalsContact C-N 3.28Å; M467-W469 PolarHBondContact O-N 2.89Å; M467-L470 PolarHBondContact O-N 3.06Å; M467-S471 WeakPolarHBondContact O-CB 3.49Å; M467-S471 PolarHBondContact O-N 2.98Å; M467-S471 PolarHBondContact O-OG 3.09Å; M467-H478 WeakPolarHBondContact CE-NE2 3.48Å; M467-I481 HydrophobicContact CB-CD1 4.4Å; M467-I481 HydrophobicContact CG-CD1 3.83Å; M467-V583 HydrophobicContact CB-CG1 3.83Å; M467-V583 HydrophobicContact CG-CG1 4.25Å; M467-V583 HydrophobicContact SD-CG1 3.49Å; M467-V583 WeakPolarHBondContact SD-CG1 3.46Å; M467-Q586 PolarHBondContact SD-NE2 3.1Å; M467-F587 HydrophobicContact CE-CZ 4.08Å; M467-F587 HydrophobicContact SD-CE2 3.9Å; M467-F587 HydrophobicContact SD-CZ 3.91Å; M467-Y863 HydrophobicContact CB-CD1 3.99Å; M467-Y863 HydrophobicContact CB-CE1 3.86Å; M467-Y863 HydrophobicContact CG-CD1 3.93Å; M467-Y863 HydrophobicContact CG-CE1 4.24Å; M467-Y863 HydrophobicContact SD-CD1 4.37Å; M467-F864 HydrophobicContact CE-CD2 4.22Å; M467-F864 HydrophobicContact CE-CE2 4.02Å
468	A	93.4	Very high	91.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58	-41.6	179.1	0	0	0	0	0	112	Y392 L464 S471 T472 I481 A483	Y392-A468 HydrophobicContact CD1-CB 3.96Å; Y392-A468 HydrophobicContact CD2-CB 4.11Å; Y392-A468 HydrophobicContact CG-CB 3.7Å; L464-A468 WeakPolarHBondContact O-CB 3.35Å; L464-A468 PolarHBondContact O-N 2.93Å; A468-S471 PolarHBondContact O-OG 3.49Å; A468-S471 VanDerWaalsContact O-OG 3.07Å; A468-T472 WeakPolarHBondContact O-CB 3.4Å; A468-T472 PolarHBondContact O-N 3.3Å; A468-T472 PolarHBondContact O-OG1 3.26Å; A468-I481 HydrophobicContact CB-CG2 3.7Å; A468-A483 HydrophobicContact CB-CB 4.42Å
469	W	95.1	Very high	90.8	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-70.5	-49.4	179.9	-168.1	91.9	0	0	0	111.7	Q390 Y408 I423 M455 M457 G465 M466 M467 T472 Y473 I486 I493	Q390-W469 VanDerWaalsContact OE1-CD1 3.27Å; Y408-W469 AromaticContact CD1-CD1 3.81Å; Y408-W469 AromaticContact CD1-NE1 3.4Å; Y408-W469 AromaticContact CE1-CD1 3.97Å; Y408-W469 AromaticContact CE1-NE1 3.55Å; Y408-W469 AromaticContact CG-NE1 3.72Å; Y408-W469 AromaticContact CZ-NE1 3.99Å; I423-W469 HydrophobicContact CD1-CZ3 4.17Å; M455-W469 HydrophobicContact CE-CH2 4.06Å; M455-W469 HydrophobicContact CE-CZ2 3.69Å; M457-W469 HydrophobicContact CE-CB 3.94Å; M457-W469 HydrophobicContact CE-CD2 3.29Å; M457-W469 HydrophobicContact CE-CE3 3.77Å; M457-W469 HydrophobicContact CE-CG 3.33Å; M457-W469 HydrophobicContact CE-CZ2 4.36Å; M457-W469 HydrophobicContact CE-CZ3 4.47Å; M457-W469 HydrophobicContact SD-CD2 4.29Å; M457-W469 HydrophobicContact SD-CE3 4.26Å; M457-W469 HydrophobicContact SD-CZ3 4.49Å; G465-W469 WeakPolarHBondContact O-CB 3.4Å; G465-W469 PolarHBondContact O-N 3.35Å; G465-W469 VanDerWaalsContact O-N 3.13Å; M466-W469 PolarHBondContact O-N 3.29Å; M467-W469 VanDerWaalsContact C-N 3.28Å; M467-W469 PolarHBondContact O-N 2.89Å; W469-T472 PolarHBondContact O-N 3.36Å; W469-Y473 HydrophobicContact CH2-CD1 4.4Å; W469-Y473 AromaticContact CH2-CD2 3.59Å; W469-Y473 HydrophobicContact CH2-CD2 3.59Å; W469-Y473 AromaticContact CH2-CE2 3.97Å; W469-Y473 HydrophobicContact CH2-CE2 3.97Å; W469-Y473 AromaticContact CH2-CG 3.83Å; W469-Y473 HydrophobicContact CH2-CG 3.83Å; W469-Y473 AromaticContact CZ2-CD2 3.94Å; W469-Y473 HydrophobicContact CZ2-CD2 3.94Å; W469-Y473 HydrophobicContact CZ2-CE2 4.43Å; W469-Y473 HydrophobicContact CZ2-CG 4.47Å; W469-Y473 HydrophobicContact CZ3-CD1 4.3Å; W469-Y473 HydrophobicContact CZ3-CD2 4.13Å; W469-Y473 AromaticContact CZ3-CG 3.88Å; W469-Y473 HydrophobicContact CZ3-CG 3.88Å; W469-Y473 VanDerWaalsContact O-CB 3.26Å; W469-Y473 WeakPolarHBondContact O-CB 3.21Å; W469-Y473 PolarHBondContact O-N 3.01Å; W469-I486 HydrophobicContact CD2-CD1 4.06Å; W469-I486 HydrophobicContact CG-CD1 4.15Å; W469-I486 HydrophobicContact CZ2-CD1 4.26Å; W469-I486 WeakPolarHBondContact O-CD1 3.47Å; W469-I493 HydrophobicContact CH2-CD1 4.15Å; W469-I493 HydrophobicContact CZ3-CD1 3.71Å
470	L	94.6	Very high	90.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.1	-39.6	-179.3	-72.6	175.2	0	0	0	112.8	I423 M466 M467 T472 Y473 H474 I493 F587 I589	I423-L470 HydrophobicContact CD1-CD2 4.42Å; M466-L470 HydrophobicContact CG-CD1 3.59Å; M466-L470 HydrophobicContact CG-CG 4.06Å; M466-L470 WeakPolarHBondContact O-CB 3.23Å; M466-L470 WeakPolarHBondContact O-CG 3.36Å; M466-L470 PolarHBondContact O-N 2.79Å; M466-L470 HydrophobicContact SD-CD1 3.69Å; M466-L470 HydrophobicContact SD-CD2 4.28Å; M466-L470 HydrophobicContact SD-CG 3.65Å; M467-L470 PolarHBondContact O-N 3.06Å; L470-T472 VanDerWaalsContact C-N 3.32Å; L470-T472 PolarHBondContact O-N 2.83Å; L470-Y473 PolarHBondContact O-N 2.98Å; L470-H474 WeakPolarHBondContact O-CB 3.29Å; L470-H474 PolarHBondContact O-CD2 3.03Å; L470-H474 VanDerWaalsContact O-CD2 3.3Å; L470-H474 PolarHBondContact O-N 3.36Å; L470-I493 HydrophobicContact CD2-CD1 3.83Å; L470-F587 HydrophobicContact CB-CD1 4.31Å; L470-F587 HydrophobicContact CB-CD2 3.78Å; L470-F587 HydrophobicContact CB-CE1 4Å; L470-F587 HydrophobicContact CB-CE2 3.41Å; L470-F587 VanDerWaalsContact CB-CE2 3.41Å; L470-F587 HydrophobicContact CB-CG 4.2Å; L470-F587 HydrophobicContact CB-CZ 3.55Å; L470-F587 HydrophobicContact CD1-CD2 3.5Å; L470-F587 VanDerWaalsContact CD1-CD2 3.5Å; L470-F587 HydrophobicContact CD1-CE2 3.73Å; L470-F587 HydrophobicContact CD1-CG 4.27Å; L470-F587 HydrophobicContact CG-CD2 4.22Å; L470-F587 HydrophobicContact CG-CE2 4.21Å; L470-I589 HydrophobicContact CD1-CD1 4.06Å; L470-I589 HydrophobicContact CD2-CD1 3.57Å
471	S	91.6	Very high	89.9	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.007	17%	0.173	C	C	.	.	H	α-helix	trans	-61.5	-44.1	176.6	62.5	0	0	0	0	111.1	M467 A468 F475 G476	M467-S471 WeakPolarHBondContact O-CB 3.49Å; M467-S471 PolarHBondContact O-N 2.98Å; M467-S471 PolarHBondContact O-OG 3.09Å; A468-S471 PolarHBondContact O-OG 3.49Å; A468-S471 VanDerWaalsContact O-OG 3.07Å; S471-F475 WeakPolarHBondContact O-CA 3.5Å; S471-F475 WeakPolarHBondContact O-CB 3.32Å; S471-F475 PolarHBondContact O-N 3.06Å; S471-G476 PolarHBondContact O-N 3.07Å
472	T	91.9	Very high	89.8	Confident	12 Å²	12	34 Å²	34	7%	0.074	18%	0.179	C	C	.	.	H	α-helix	trans	-67.9	-37.8	177	-48.5	0	0	0	0	111.4	Q390 A468 W469 L470 G476 I486	Q390-T472 PolarHBondContact NE2-OG1 2.71Å; A468-T472 WeakPolarHBondContact O-CB 3.4Å; A468-T472 PolarHBondContact O-N 3.3Å; A468-T472 PolarHBondContact O-OG1 3.26Å; W469-T472 PolarHBondContact O-N 3.36Å; L470-T472 VanDerWaalsContact C-N 3.32Å; L470-T472 PolarHBondContact O-N 2.83Å; T472-G476 VanDerWaalsContact O-CA 3.25Å; T472-G476 WeakPolarHBondContact O-CA 3.4Å; T472-G476 PolarHBondContact O-N 3.28Å; T472-G476 VanDerWaalsContact O-N 3.08Å; T472-I486 HydrophobicContact CG2-CD1 4.2Å; T472-I486 HydrophobicContact CG2-CG1 4.04Å
473	Y	92.9	Very high	89.8	Confident	38 Å²	38	34.4 Å²	34.4	15%	0.149	18%	0.184	C	C	.	.	H	α-helix	trans	-67	-40.9	-179.7	-173.2	-101	0	0	0	112.9	W469 L470 I486 A490 G491 I493	W469-Y473 HydrophobicContact CH2-CD1 4.4Å; W469-Y473 AromaticContact CH2-CD2 3.59Å; W469-Y473 HydrophobicContact CH2-CD2 3.59Å; W469-Y473 AromaticContact CH2-CE2 3.97Å; W469-Y473 HydrophobicContact CH2-CE2 3.97Å; W469-Y473 AromaticContact CH2-CG 3.83Å; W469-Y473 HydrophobicContact CH2-CG 3.83Å; W469-Y473 AromaticContact CZ2-CD2 3.94Å; W469-Y473 HydrophobicContact CZ2-CD2 3.94Å; W469-Y473 HydrophobicContact CZ2-CE2 4.43Å; W469-Y473 HydrophobicContact CZ2-CG 4.47Å; W469-Y473 HydrophobicContact CZ3-CD1 4.3Å; W469-Y473 HydrophobicContact CZ3-CD2 4.13Å; W469-Y473 AromaticContact CZ3-CG 3.88Å; W469-Y473 HydrophobicContact CZ3-CG 3.88Å; W469-Y473 VanDerWaalsContact O-CB 3.26Å; W469-Y473 WeakPolarHBondContact O-CB 3.21Å; W469-Y473 PolarHBondContact O-N 3.01Å; L470-Y473 PolarHBondContact O-N 2.98Å; Y473-I486 HydrophobicContact CD2-CD1 4.17Å; Y473-A490 HydrophobicContact CE2-CB 4.48Å; Y473-A490 PolarHBondContact OH-N 2.88Å; Y473-G491 PolarHBondContact OH-N 2.67Å; Y473-G491 VanDerWaalsContact OH-N 3.08Å; Y473-G491 PolarHBondContact OH-O 3.06Å; Y473-I493 HydrophobicContact CD1-CD1 3.63Å; Y473-I493 HydrophobicContact CE1-CD1 3.5Å; Y473-I493 HydrophobicContact CE1-CG1 4.11Å; Y473-I493 HydrophobicContact CG-CD1 4.46Å
474	H	90.1	Very high	89.8	Confident	76 Å²	76	38.1 Å²	38.1	35%	0.352	20%	0.2	S	C	.	.	H	α-helix	trans	-92.1	-38.3	-176	-75.6	-75.5	0	0	0	114	L470 F587	L470-H474 WeakPolarHBondContact O-CB 3.29Å; L470-H474 PolarHBondContact O-CD2 3.03Å; L470-H474 VanDerWaalsContact O-CD2 3.3Å; L470-H474 PolarHBondContact O-N 3.36Å; H474-F587 HydrophobicContact CB-CD1 4.28Å; H474-F587 HydrophobicContact CB-CE1 4.45Å; H474-F587 AromaticContact CD2-CD1 3.62Å
475	F	87.6	Confident	89.7	Confident	159 Å²	159	46.3 Å²	46.3	70%	0.697	23%	0.234	S	C	*	.	H	α-helix	trans	-118.6	-10.9	-170.7	-52.2	-55.6	0	0	0	113.8	S471 D477 F587	S471-F475 WeakPolarHBondContact O-CA 3.5Å; S471-F475 WeakPolarHBondContact O-CB 3.32Å; S471-F475 PolarHBondContact O-N 3.06Å; F475-D477 PolarHBondContact O-N 2.99Å; F475-F587 HydrophobicContact CD2-CE1 4.15Å; F475-F587 HydrophobicContact CE2-CD1 4.05Å; F475-F587 AromaticContact CE2-CE1 3.55Å; F475-F587 HydrophobicContact CE2-CE1 3.55Å; F475-F587 HydrophobicContact CZ-CD1 4.45Å; F475-F587 HydrophobicContact CZ-CE1 4.38Å
476	G	83.6	Confident	89.5	Confident	41 Å²	41	47.7 Å²	47.7	42%	0.423	24%	0.242	S	C	.	.	S	Bend	trans	82.2	-21.4	-179.4	0	0	0	0	0	115.1	S471 T472	S471-G476 PolarHBondContact O-N 3.07Å; T472-G476 VanDerWaalsContact O-CA 3.25Å; T472-G476 WeakPolarHBondContact O-CA 3.4Å; T472-G476 PolarHBondContact O-N 3.28Å; T472-G476 VanDerWaalsContact O-N 3.08Å
477	D	82.7	Confident	88.8	Confident	101 Å²	101	52.6 Å²	52.6	54%	0.54	27%	0.273	S	S	.	.			trans	-153.9	167.7	178.7	-158.8	4.9	0	0	0	112	F475	F475-D477 PolarHBondContact O-N 2.99Å
478	H	85.6	Confident	88.2	Confident	6 Å²	6	54 Å²	54	3%	0.028	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-137	134.6	173.4	-175.5	-89	0	0	0	111.5	M467 F480 I481 L862 F864	M467-H478 WeakPolarHBondContact CE-NE2 3.48Å; H478-F480 PolarHBondContact ND1-N 3.28Å; H478-F480 VanDerWaalsContact ND1-N 3.19Å; H478-F480 PolarHBondContact O-N 3.37Å; H478-I481 HydrophobicContact CB-CB 4Å; H478-I481 WeakPolarHBondContact ND1-CG1 3.46Å; H478-I481 PolarHBondContact ND1-N 3.32Å; H478-I481 VanDerWaalsContact ND1-N 3.18Å; H478-I481 PolarHBondContact O-N 3.3Å; H478-L862 PolarHBondContact NE2-O 3.17Å; H478-F864 AromaticContact CD2-CE2 3.95Å; H478-F864 AromaticContact NE2-CE2 3.29Å; H478-F864 VanDerWaalsContact NE2-CE2 3.29Å; H478-F864 WeakPolarHBondContact NE2-CE2 3.33Å; H478-F864 AromaticContact NE2-CZ 3.6Å
479	P	80.9	Confident	87.7	Confident	76 Å²	76	61.8 Å²	61.8	49%	0.494	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-30.1	-172.6	-27.2	34	0	0	0	115.9	F864	P479-F864 HydrophobicContact CG-CZ 4.36Å
480	F	82.3	Confident	87.3	Confident	56 Å²	56	61.7 Å²	61.7	25%	0.246	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117	-9.6	-176.3	-57.8	-76.5	0	0	0	114.4	H478 M861 L862	H478-F480 PolarHBondContact ND1-N 3.28Å; H478-F480 VanDerWaalsContact ND1-N 3.19Å; H478-F480 PolarHBondContact O-N 3.37Å; F480-M861 HydrophobicContact CD1-CE 3.73Å; F480-M861 HydrophobicContact CD2-CB 4.4Å; F480-M861 WeakPolarHBondContact CD2-O 3.43Å; F480-M861 HydrophobicContact CE1-CE 3.52Å; F480-M861 HydrophobicContact CE2-CB 4.34Å; F480-M861 WeakPolarHBondContact CE2-O 3.2Å; F480-M861 HydrophobicContact CZ-CE 4.17Å; F480-L862 HydrophobicContact CB-CD2 3.9Å
481	I	87.3	Confident	87	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	110.7	-172.8	-57.2	170.4	0	0	0	107.1	Y392 I394 M467 A468 H478 L862	Y392-I481 HydrophobicContact CD2-CG2 4.45Å; I394-I481 HydrophobicContact CG1-CG1 4.25Å; M467-I481 HydrophobicContact CB-CD1 4.4Å; M467-I481 HydrophobicContact CG-CD1 3.83Å; A468-I481 HydrophobicContact CB-CG2 3.7Å; H478-I481 HydrophobicContact CB-CB 4Å; H478-I481 WeakPolarHBondContact ND1-CG1 3.46Å; H478-I481 PolarHBondContact ND1-N 3.32Å; H478-I481 VanDerWaalsContact ND1-N 3.18Å; H478-I481 PolarHBondContact O-N 3.3Å; I481-L862 HydrophobicContact CD1-CD2 4.16Å; I481-L862 HydrophobicContact CG1-CD2 3.82Å
482	H	89.3	Confident	87	Confident	98 Å²	98	69.6 Å²	69.6	45%	0.454	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	112.4	177.1	-62.7	75.7	0	0	0	107.6	Y392 T393 H395	Y392-H482 CarbonylContact C-O 3.48Å; Y392-H482 WeakPolarHBondContact CA-O 3.48Å; T393-H482 PolarHBondContact N-O 3.41Å; T393-H482 PolarHBondContact O-N 3.37Å; H395-H482 AromaticContact CD2-ND1 3.86Å
483	A	91.5	Very high	87	Confident	23 Å²	23	69.3 Å²	69.3	19%	0.19	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	151	-177	0	0	0	0	0	111.1	Q390 A468	Q390-A483 HydrophobicContact CG-CB 4.34Å; A468-A483 HydrophobicContact CB-CB 4.42Å
484	E	91.5	Very high	86.9	Confident	94 Å²	94	67.9 Å²	67.9	44%	0.439	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-64	142.9	173.7	-69.7	168.5	168.8	0	0	111	Q390 S391	Q390-E484 HydrophobicContact CG-CB 4.29Å; Q390-E484 PolarHBondContact NE2-O 3.34Å; S391-E484 PolarHBondContact N-OE2 3Å; S391-E484 PolarHBondContact O-N 3.25Å; S391-E484 VanDerWaalsContact O-N 3.09Å; S391-E484 PolarHBondContact OG-OE1 3.38Å; S391-E484 PolarHBondContact OG-OE2 3.06Å
485	K	89.2	Confident	87.2	Confident	186 Å²	186	64.4 Å²	64.4	81%	0.809	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-66.1	142.9	178.8	-67.7	-174.2	178.7	-176.8	0	111.1
486	I	88.4	Confident	87.6	Confident	30 Å²	30	56.9 Å²	56.9	15%	0.154	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-86.5	126.8	-179.3	-58.8	169.2	0	0	0	108.9	W469 T472 Y473 F488	W469-I486 HydrophobicContact CD2-CD1 4.06Å; W469-I486 HydrophobicContact CG-CD1 4.15Å; W469-I486 HydrophobicContact CZ2-CD1 4.26Å; W469-I486 WeakPolarHBondContact O-CD1 3.47Å; T472-I486 HydrophobicContact CG2-CD1 4.2Å; T472-I486 HydrophobicContact CG2-CG1 4.04Å; Y473-I486 HydrophobicContact CD2-CD1 4.17Å; I486-F488 VanDerWaalsContact C-N 3.33Å; I486-F488 WeakPolarHBondContact CG2-O 3.41Å; I486-F488 PolarHBondContact O-N 2.78Å
487	P	81.1	Confident	88.2	Confident	102 Å²	102	55 Å²	55	66%	0.662	28%	0.275	S	S	*	.	S	Bend	trans	-78.4	-10.6	-170.3	28.9	-33.2	0	0	0	114.7	Y408	Y408-P487 VanDerWaalsContact OH-CD 3.25Å; Y408-P487 WeakPolarHBondContact OH-CD 3.33Å
488	F	81.4	Confident	88.9	Confident	32 Å²	32	50.2 Å²	50.2	14%	0.14	25%	0.25	C	C	.	.			trans	-146.7	160.5	-177	62.2	-103.7	0	0	0	112.6	E386 Y408 L410 M455 I486	E386-F488 HydrophobicContact CB-CE1 4.26Å; E386-F488 HydrophobicContact CB-CZ 4.4Å; Y408-F488 HydrophobicContact CD2-CE1 4.34Å; Y408-F488 AromaticContact CD2-CZ 3.75Å; Y408-F488 HydrophobicContact CD2-CZ 3.75Å; Y408-F488 AromaticContact CE2-CE1 3.62Å; Y408-F488 HydrophobicContact CE2-CE1 3.62Å; Y408-F488 HydrophobicContact CE2-CE2 4.33Å; Y408-F488 AromaticContact CE2-CZ 3.42Å; Y408-F488 HydrophobicContact CE2-CZ 3.42Å; Y408-F488 VanDerWaalsContact CE2-CZ 3.42Å; L410-F488 HydrophobicContact CB-CE2 3.66Å; L410-F488 HydrophobicContact CB-CZ 3.81Å; L410-F488 HydrophobicContact CD2-CD2 3.73Å; L410-F488 HydrophobicContact CD2-CE2 3.49Å; L410-F488 VanDerWaalsContact CD2-CE2 3.49Å; L410-F488 HydrophobicContact CD2-CZ 4.35Å; L410-F488 HydrophobicContact CG-CE2 4.16Å; M455-F488 HydrophobicContact CE-CE2 3.62Å; M455-F488 HydrophobicContact CE-CZ 4.08Å; I486-F488 VanDerWaalsContact C-N 3.33Å; I486-F488 WeakPolarHBondContact CG2-O 3.41Å; I486-F488 PolarHBondContact O-N 2.78Å
489	Q	83.8	Confident	89.4	Confident	164 Å²	164	49.9 Å²	49.9	77%	0.766	25%	0.248	S	C	*	.			trans	-104.1	131.3	171.9	-67.7	-175.8	-9	0	0	110.3
490	A	86.2	Confident	90.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.24	C	C	.	.			trans	-91.7	-5	178.7	0	0	0	0	0	113	L410 C421 N453 M455 Y473	L410-A490 HydrophobicContact CD1-CB 3.72Å; L410-A490 HydrophobicContact CD2-CB 3.97Å; L410-A490 HydrophobicContact CG-CB 4.47Å; C421-A490 HydrophobicContact CB-CB 4.22Å; C421-A490 WeakPolarHBondContact CB-O 3.13Å; N453-A490 PolarHBondContact ND2-O 3.11Å; M455-A490 HydrophobicContact CE-CB 3.88Å; Y473-A490 HydrophobicContact CE2-CB 4.48Å; Y473-A490 PolarHBondContact OH-N 2.88Å
491	G	88.5	Confident	90.5	Very high	19 Å²	19	47.9 Å²	47.9	20%	0.196	23%	0.23	C	C	.	.			trans	94.5	-178.6	-168.7	0	0	0	0	0	112.7	T419 Y473 I493	T419-G491 CarbonylContact O-C 3.57Å; T419-G491 WeakPolarHBondContact O-CA 3.16Å; Y473-G491 PolarHBondContact OH-N 2.67Å; Y473-G491 VanDerWaalsContact OH-N 3.08Å; Y473-G491 PolarHBondContact OH-O 3.06Å; G491-I493 PolarHBondContact O-N 2.7Å
492	R	90.6	Very high	90.5	Very high	147 Å²	147	51 Å²	51	56%	0.555	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	125.2	179.3	-174.9	-172.2	-174.4	159.5	15.6	110.6	T419 K420 C421 I629	T419-R492 PolarHBondContact O-N 3.16Å; K420-R492 CarbonylContact C-O 3.52Å; K420-R492 WeakPolarHBondContact CA-O 3.31Å; C421-R492 PolarHBondContact N-O 3.13Å; R492-I629 VanDerWaalsContact NH1-CD1 3.33Å
493	I	93.1	Very high	90.2	Very high	7 Å²	7	47.8 Å²	47.8	4%	0.036	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	127.5	177.4	-57.5	151.5	0	0	0	109.1	C421 I423 W469 L470 Y473 G491 I589	C421-I493 HydrophobicContact CB-CG1 4.21Å; C421-I493 WeakPolarHBondContact O-CA 3.46Å; I423-I493 HydrophobicContact CD1-CD1 3.95Å; I423-I493 HydrophobicContact CD1-CG1 4.21Å; I423-I493 HydrophobicContact CD1-CG2 3.65Å; I423-I493 HydrophobicContact CG1-CG1 4.5Å; I423-I493 HydrophobicContact CG1-CG2 3.82Å; W469-I493 HydrophobicContact CH2-CD1 4.15Å; W469-I493 HydrophobicContact CZ3-CD1 3.71Å; L470-I493 HydrophobicContact CD2-CD1 3.83Å; Y473-I493 HydrophobicContact CD1-CD1 3.63Å; Y473-I493 HydrophobicContact CE1-CD1 3.5Å; Y473-I493 HydrophobicContact CE1-CG1 4.11Å; Y473-I493 HydrophobicContact CG-CD1 4.46Å; G491-I493 PolarHBondContact O-N 2.7Å; I493-I589 HydrophobicContact CB-CD1 3.85Å; I493-I589 HydrophobicContact CB-CG1 4.05Å; I493-I589 HydrophobicContact CD1-CD1 4.22Å; I493-I589 HydrophobicContact CG2-CB 4.48Å; I493-I589 HydrophobicContact CG2-CD1 3.64Å; I493-I589 HydrophobicContact CG2-CG1 3.84Å; I493-I589 HydrophobicContact CG2-CG2 3.8Å
494	E	90.9	Very high	89.8	Confident	8 Å²	8	52.3 Å²	52.3	4%	0.037	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	-44.1	-177.3	-65	-176.9	156.5	0	0	113	K420 C421 K452 H590	K420-E494 VanDerWaalsContact CD-OE1 3.25Å; K420-E494 WeakPolarHBondContact CD-OE1 3.32Å; K420-E494 VanDerWaalsContact CE-OE1 3.29Å; K420-E494 WeakPolarHBondContact CE-OE1 3.27Å; K420-E494 IonicContact NZ-OE1 3.99Å; K420-E494 PolarHBondContact NZ-OE1 2.84Å; C421-E494 PolarHBondContact O-N 3.15Å; K452-E494 WeakPolarHBondContact CE-OE2 3.4Å; K452-E494 IonicContact NZ-OE2 3.29Å; K452-E494 PolarHBondContact NZ-OE2 3.1Å; E494-H590 PolarHBondContact O-N 3.38Å; E494-H590 VanDerWaalsContact O-N 3.11Å
495	V	94.7	Very high	89.4	Confident	2 Å²	2	50 Å²	50	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	143.3	-176.4	175.8	0	0	0	0	109.7	V422 I423 L497 L526 H590 V623 L630	V422-V495 WeakPolarHBondContact CA-O 3.29Å; V422-V495 HydrophobicContact CG1-CB 4.22Å; V422-V495 HydrophobicContact CG1-CG1 4.49Å; V422-V495 WeakPolarHBondContact CG1-O 3.19Å; I423-V495 PolarHBondContact N-O 3.46Å; V495-L497 HydrophobicContact CG1-CD2 4.12Å; V495-L497 HydrophobicContact CG1-CG 4.27Å; V495-L526 HydrophobicContact CG1-CD1 4.03Å; V495-L526 HydrophobicContact CG1-CD2 4.09Å; V495-H590 CarbonylContact C-O 3.59Å; V495-H590 WeakPolarHBondContact CA-O 3.47Å; V495-V623 HydrophobicContact CB-CG1 4.09Å; V495-V623 HydrophobicContact CG1-CG2 4.5Å; V495-V623 HydrophobicContact CG2-CG1 3.75Å; V495-V623 HydrophobicContact CG2-CG2 4.2Å; V495-L630 HydrophobicContact CG2-CD1 4.45Å
496	A	96.1	Very high	89.2	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.008	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	124.7	171.6	0	0	0	0	0	111.1	I423 I589 H590 A591 L592	I423-A496 HydrophobicContact CB-CB 3.92Å; I423-A496 HydrophobicContact CG2-CB 4.35Å; I423-A496 CarbonylContact O-C 3.54Å; I423-A496 WeakPolarHBondContact O-CA 3.33Å; A496-I589 HydrophobicContact CB-CG2 3.87Å; A496-H590 PolarHBondContact N-O 3.01Å; A496-A591 HydrophobicContact CB-CB 3.9Å; A496-A591 CarbonylContact O-C 3.56Å; A496-A591 WeakPolarHBondContact O-CA 3.49Å; A496-L592 PolarHBondContact O-N 3.34Å
497	L	97.3	Very high	89.3	Confident	1 Å²	1	41 Å²	41	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	121.4	174.8	-59.5	-178.5	0	0	0	108.9	I423 V424 S425 V495 L592 L616 M619 L620	I423-L497 PolarHBondContact O-N 3.17Å; V424-L497 CarbonylContact C-O 3.59Å; V424-L497 VanDerWaalsContact CA-O 3.28Å; V424-L497 WeakPolarHBondContact CA-O 3.4Å; S425-L497 PolarHBondContact N-O 2.86Å; S425-L497 PolarHBondContact OG-O 3.24Å; V495-L497 HydrophobicContact CG1-CD2 4.12Å; V495-L497 HydrophobicContact CG1-CG 4.27Å; L497-L592 WeakPolarHBondContact CA-O 3.12Å; L497-L592 HydrophobicContact CD2-CB 4.16Å; L497-L616 HydrophobicContact CD1-CD2 4.34Å; L497-M619 HydrophobicContact CD1-CB 4.4Å; L497-M619 HydrophobicContact CD1-CE 4.13Å; L497-M619 HydrophobicContact CD2-CE 3.79Å; L497-L620 HydrophobicContact CD1-CD2 3.83Å; L497-L620 HydrophobicContact CD1-CG 4.13Å
498	N	96.9	Very high	89.8	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	134.2	172.4	175.2	49	0	0	0	109.6	S425 D579 V580 L592 S593 L594	S425-N498 CarbonylContact O-C 3.57Å; S425-N498 WeakPolarHBondContact O-CA 3.37Å; S425-N498 PolarHBondContact O-OD1 3.25Å; S425-N498 WeakPolarHBondContact OG-CA 3.48Å; S425-N498 WeakPolarHBondContact OG-CB 3.32Å; S425-N498 PolarHBondContact OG-OD1 3.21Å; N498-D579 PolarHBondContact ND2-OD1 2.97Å; N498-D579 PolarHBondContact ND2-OD2 3.35Å; N498-V580 HydrophobicContact CB-CB 4.03Å; N498-V580 HydrophobicContact CB-CG2 4.49Å; N498-L592 PolarHBondContact N-O 2.86Å; N498-S593 WeakPolarHBondContact CB-OG 3.48Å; N498-S593 PolarHBondContact ND2-OG 3.23Å; N498-S593 CarbonylContact O-C 3.58Å; N498-S593 WeakPolarHBondContact O-CA 3.21Å; N498-L594 PolarHBondContact O-N 3.24Å
499	I	96.6	Very high	90.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	123.2	-169.6	-58.9	163.6	0	0	0	109.6	V424 S425 P427 S433 F436 L437 L440 F612 L616	V424-I499 HydrophobicContact CG1-CD1 3.33Å; V424-I499 HydrophobicContact CG1-CG1 4.28Å; S425-I499 PolarHBondContact O-N 3.22Å; P427-I499 WeakPolarHBondContact CD-O 3.49Å; S433-I499 WeakPolarHBondContact CB-O 3.31Å; F436-I499 HydrophobicContact CD1-CG2 3.86Å; F436-I499 HydrophobicContact CE1-CG2 4.12Å; L437-I499 HydrophobicContact CD1-CD1 4.45Å; L440-I499 HydrophobicContact CD1-CD1 3.5Å; L440-I499 VanDerWaalsContact CD1-CD1 3.5Å; I499-F612 HydrophobicContact CG2-CE1 3.53Å; I499-F612 HydrophobicContact CG2-CZ 3.87Å; I499-L616 HydrophobicContact CD1-CD1 3.48Å; I499-L616 VanDerWaalsContact CD1-CD1 3.48Å; I499-L616 HydrophobicContact CD1-CD2 4.19Å; I499-L616 HydrophobicContact CD1-CG 4.48Å; I499-L616 HydrophobicContact CG1-CD1 3.98Å; I499-L616 HydrophobicContact CG1-CD2 4.15Å; I499-L616 HydrophobicContact CG2-CD1 4.46Å
500	R	94.4	Very high	90.9	Very high	87 Å²	87	28.7 Å²	28.7	33%	0.328	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	114.3	171.7	-144.1	174.2	-170.5	109.2	4.5	109.6	P427 S433 D579 L594 S595 T596	P427-R500 HydrophobicContact CG-CG 4Å; S433-R500 WeakPolarHBondContact OG-CA 3.48Å; R500-D579 IonicContact NH1-OD2 3.85Å; R500-D579 PolarHBondContact NH1-OD2 3.39Å; R500-L594 PolarHBondContact N-O 3.05Å; R500-S595 CarbonylContact O-C 3.59Å; R500-S595 WeakPolarHBondContact O-CA 3.47Å; R500-T596 PolarHBondContact O-N 2.85Å; R500-T596 PolarHBondContact O-OG1 3.25Å
501	T	92.1	Very high	91.3	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.018	15%	0.145	C	C	.	.			trans	-138	154.4	178.6	-164.3	0	0	0	0	112	S430 S432 S433 F436 T596 H609	S430-T501 PolarHBondContact OG-O 3.49Å; S432-T501 VanDerWaalsContact CB-O 3.23Å; S432-T501 WeakPolarHBondContact CB-O 3.35Å; S433-T501 PolarHBondContact N-O 2.64Å; S433-T501 PolarHBondContact OG-N 2.91Å; S433-T501 PolarHBondContact OG-O 3.42Å; F436-T501 HydrophobicContact CB-CG2 3.6Å; F436-T501 HydrophobicContact CD1-CG2 3.95Å; F436-T501 HydrophobicContact CD2-CG2 4.47Å; F436-T501 HydrophobicContact CG-CG2 3.78Å; T501-T596 VanDerWaalsContact CA-OG1 3.27Å; T501-T596 WeakPolarHBondContact CA-OG1 3.2Å; T501-T596 WeakPolarHBondContact CB-OG1 3.48Å; T501-T596 PolarHBondContact OG1-OG1 2.69Å; T501-H609 PolarHBondContact OG1-ND1 2.79Å
502	D	87.5	Confident	91.7	Very high	65 Å²	65	28 Å²	28	35%	0.348	14%	0.136	S	C	.	.			trans	-128.9	118.9	178.5	178	6.7	0	0	0	109.1	N504 H609	D502-N504 VanDerWaalsContact C-N 3.27Å; D502-N504 PolarHBondContact O-N 2.98Å; D502-N504 VanDerWaalsContact OD1-CB 3.29Å; D502-N504 WeakPolarHBondContact OD1-CB 3.23Å; D502-N504 PolarHBondContact OD1-N 3.12Å; D502-N504 PolarHBondContact OD1-ND2 3.24Å; D502-N504 PolarHBondContact OD2-ND2 2.99Å; D502-H609 PolarHBondContact O-CE1 3.4Å
503	F	83.1	Confident	91.8	Very high	31 Å²	31	23.5 Å²	23.5	14%	0.136	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-5.8	-179.8	-73.4	-63.8	0	0	0	114.8	F352 S432 A435 F436 S505 H609	F352-F503 HydrophobicContact CD2-CZ 4.4Å; F352-F503 HydrophobicContact CE2-CD1 4.42Å; F352-F503 AromaticContact CE2-CE1 3.6Å; F352-F503 HydrophobicContact CE2-CE1 3.6Å; F352-F503 AromaticContact CE2-CE2 3.75Å; F352-F503 HydrophobicContact CE2-CE2 3.75Å; F352-F503 AromaticContact CE2-CZ 3.2Å; F352-F503 HydrophobicContact CE2-CZ 3.2Å; F352-F503 HydrophobicContact CZ-CE1 4.23Å; F352-F503 AromaticContact CZ-CE2 3.55Å; F352-F503 HydrophobicContact CZ-CE2 3.55Å; F352-F503 AromaticContact CZ-CZ 3.36Å; F352-F503 HydrophobicContact CZ-CZ 3.36Å; S432-F503 WeakPolarHBondContact O-CE2 3.28Å; S432-F503 WeakPolarHBondContact OG-CD2 3.43Å; S432-F503 PolarHBondContact OG-N 2.86Å; A435-F503 HydrophobicContact CB-CE2 4.31Å; F436-F503 HydrophobicContact CB-CE2 4.03Å; F436-F503 HydrophobicContact CB-CZ 3.73Å; F436-F503 HydrophobicContact CD2-CE1 4.14Å; F436-F503 AromaticContact CD2-CZ 3.66Å; F436-F503 HydrophobicContact CD2-CZ 3.66Å; F436-F503 HydrophobicContact CG-CZ 4.11Å; F503-S505 PolarHBondContact O-N 3.45Å; F503-H609 AromaticContact CD1-CD2 3.72Å; F503-H609 AromaticContact CD1-CE1 3.49Å; F503-H609 VanDerWaalsContact CD1-CE1 3.49Å; F503-H609 WeakPolarHBondContact CD1-CE1 3.45Å; F503-H609 AromaticContact CD1-CG 3.73Å; F503-H609 AromaticContact CD1-ND1 3.6Å; F503-H609 AromaticContact CD1-NE2 3.59Å; F503-H609 HydrophobicContact CE1-CB 4.12Å; F503-H609 AromaticContact CE1-CE1 3.96Å; F503-H609 AromaticContact CE1-CG 3.69Å; F503-H609 AromaticContact CE1-ND1 3.58Å
504	N	81.3	Confident	91.9	Very high	119 Å²	119	23.3 Å²	23.3	64%	0.636	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-30.3	179.9	-68.4	-37.3	0	0	0	112.8	D502	D502-N504 VanDerWaalsContact C-N 3.27Å; D502-N504 PolarHBondContact O-N 2.98Å; D502-N504 VanDerWaalsContact OD1-CB 3.29Å; D502-N504 WeakPolarHBondContact OD1-CB 3.23Å; D502-N504 PolarHBondContact OD1-N 3.12Å; D502-N504 PolarHBondContact OD1-ND2 3.24Å; D502-N504 PolarHBondContact OD2-ND2 2.99Å
505	S	83.4	Confident	91.9	Very high	45 Å²	45	24 Å²	24	32%	0.315	12%	0.124	S	C	.	.	S	Bend	trans	-140.5	137.5	178.8	68.5	0	0	0	0	111.3	F503 P507 S598	F503-S505 PolarHBondContact O-N 3.45Å; S505-P507 WeakPolarHBondContact O-CD 3.45Å; S505-S598 WeakPolarHBondContact OG-CB 3.42Å
506	P	86.5	Confident	91.7	Very high	24 Å²	24	24.4 Å²	24.4	16%	0.156	13%	0.127	C	C	.	.			trans	-62.4	124.1	179.3	24.6	-32.7	0	0	0	109.7	S598	P506-S598 PolarHBondContact O-OG 2.83Å
507	P	90.7	Very high	91.3	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.019	13%	0.127	C	C	.	.			trans	-70	138.2	-174.8	27.1	-35.1	0	0	0	109.9	S505 L539 T596 H609	S505-P507 WeakPolarHBondContact O-CD 3.45Å; P507-L539 WeakPolarHBondContact O-CD2 3.36Å; P507-T596 HydrophobicContact CB-CG2 4.47Å; P507-H609 WeakPolarHBondContact CD-CE1 3.13Å; P507-H609 VanDerWaalsContact CD-NE2 3.31Å; P507-H609 WeakPolarHBondContact CD-NE2 3.46Å
508	T	90.7	Very high	90.8	Very high	20 Å²	20	25.8 Å²	25.8	12%	0.123	13%	0.134	C	C	.	.			trans	-111.4	-23.6	174.9	45.6	0	0	0	0	111.3	T540 Y597 S598 K599 S604	T508-T540 PolarHBondContact O-N 3.47Å; T508-Y597 PolarHBondContact N-O 3.18Å; T508-S598 PolarHBondContact OG1-OG 2.97Å; T508-K599 PolarHBondContact OG1-N 2.89Å; T508-S604 WeakPolarHBondContact CG2-OG 3.5Å
509	H	92.8	Very high	90.2	Very high	19 Å²	19	26.2 Å²	26.2	9%	0.088	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	151.3	-176	-59.4	69.7	0	0	0	110	T540 R547 T596 Y597	H509-T540 VanDerWaalsContact CA-O 3.25Å; H509-T540 WeakPolarHBondContact CA-O 3.37Å; H509-R547 VanDerWaalsContact NE2-CD 3.32Å; H509-R547 WeakPolarHBondContact NE2-CD 3.43Å; H509-T596 WeakPolarHBondContact O-CA 3.43Å; H509-Y597 HydrophobicContact CB-CD1 4.03Å; H509-Y597 HydrophobicContact CB-CD2 4.28Å; H509-Y597 HydrophobicContact CB-CE1 3.49Å; H509-Y597 VanDerWaalsContact CB-CE1 3.49Å; H509-Y597 HydrophobicContact CB-CE2 3.81Å; H509-Y597 HydrophobicContact CB-CG 4.38Å; H509-Y597 PolarHBondContact N-O 3.29Å; H509-Y597 PolarHBondContact O-N 2.96Å; H509-Y597 VanDerWaalsContact O-O 3.13Å
510	V	95.4	Very high	89.8	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	121.2	173.1	-173.9	0	0	0	0	108.1	M534 L539 T540 P541 T542 L594 T596 F612	V510-M534 HydrophobicContact CB-CE 3.89Å; V510-M534 HydrophobicContact CB-CG 4.48Å; V510-M534 HydrophobicContact CB-SD 3.7Å; V510-M534 HydrophobicContact CG1-CE 3.48Å; V510-M534 VanDerWaalsContact CG1-CE 3.48Å; V510-M534 HydrophobicContact CG1-SD 4.01Å; V510-M534 HydrophobicContact CG2-SD 4.39Å; V510-L539 HydrophobicContact CG2-CB 4.24Å; V510-L539 HydrophobicContact CG2-CD1 3.86Å; V510-T540 PolarHBondContact N-O 3.47Å; V510-P541 CarbonylContact O-C 3.59Å; V510-P541 WeakPolarHBondContact O-CA 3.36Å; V510-T542 PolarHBondContact O-N 2.87Å; V510-T542 PolarHBondContact O-OG1 3.37Å; V510-L594 HydrophobicContact CG1-CB 4.06Å; V510-T596 HydrophobicContact CG1-CG2 4.48Å; V510-T596 HydrophobicContact CG2-CG2 4.14Å; V510-F612 HydrophobicContact CG1-CE2 3.99Å; V510-F612 HydrophobicContact CG2-CD2 3.97Å; V510-F612 HydrophobicContact CG2-CE2 4.18Å
511	N	95.4	Very high	89.7	Confident	3 Å²	3	26.6 Å²	26.6	2%	0.016	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	132.5	173.7	-176.7	63.8	0	0	0	109.9	E513 T542 F544 M545 L594 S595 Y597	N511-E513 WeakPolarHBondContact ND2-CG 3.08Å; N511-E513 PolarHBondContact ND2-OE1 3.23Å; N511-E513 VanDerWaalsContact ND2-OE1 3.1Å; N511-T542 CarbonylContact C-O 3.59Å; N511-T542 WeakPolarHBondContact CA-O 3.04Å; N511-T542 WeakPolarHBondContact CA-OG1 3.15Å; N511-T542 PolarHBondContact OD1-O 2.79Å; N511-F544 PolarHBondContact OD1-N 3.44Å; N511-M545 HydrophobicContact CB-CE 3.64Å; N511-M545 HydrophobicContact CB-CG 4.5Å; N511-M545 HydrophobicContact CB-SD 3.52Å; N511-M545 VanDerWaalsContact CB-SD 3.52Å; N511-M545 PolarHBondContact OD1-N 2.87Å; N511-L594 WeakPolarHBondContact O-CA 3.16Å; N511-S595 WeakPolarHBondContact CB-OG 3.36Å; N511-S595 PolarHBondContact N-O 3.13Å; N511-S595 PolarHBondContact ND2-OG 2.78Å; N511-S595 PolarHBondContact O-N 3.46Å; N511-Y597 HydrophobicContact CB-CD1 4.39Å; N511-Y597 HydrophobicContact CB-CE1 3.93Å
512	I	96.2	Very high	89.7	Confident	2 Å²	2	26.8 Å²	26.8	1%	0.01	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	119.1	178.4	-57	164.7	0	0	0	107.6	A530 V531 M534 P541 T542 L543 L592 L594	I512-A530 HydrophobicContact CD1-CB 4.08Å; I512-V531 HydrophobicContact CD1-CG2 3.64Å; I512-M534 HydrophobicContact CD1-CE 3.9Å; I512-M534 HydrophobicContact CD1-SD 4.02Å; I512-M534 HydrophobicContact CG1-CE 3.68Å; I512-M534 HydrophobicContact CG1-SD 4.21Å; I512-P541 HydrophobicContact CD1-CB 4.28Å; I512-T542 PolarHBondContact N-O 3.31Å; I512-L543 HydrophobicContact CB-CD2 3.89Å; I512-L543 HydrophobicContact CG2-CD2 4.42Å; I512-L592 HydrophobicContact CG2-CD1 4.37Å; I512-L592 HydrophobicContact CG2-CD2 4.08Å; I512-L594 HydrophobicContact CB-CD2 4.34Å; I512-L594 HydrophobicContact CG1-CD2 3.85Å; I512-L594 HydrophobicContact CG2-CD2 4.25Å
513	E	93.6	Very high	90	Very high	53 Å²	53	23.8 Å²	23.8	25%	0.248	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	125	172.5	-67.2	160.2	-147.5	0	0	108.1	N511 H581 S593 S595	N511-E513 WeakPolarHBondContact ND2-CG 3.08Å; N511-E513 PolarHBondContact ND2-OE1 3.23Å; N511-E513 VanDerWaalsContact ND2-OE1 3.1Å; E513-H581 IonicContact OE2-CE1 2.61Å; E513-S593 PolarHBondContact N-O 2.78Å; E513-S593 PolarHBondContact O-N 2.92Å; E513-S595 PolarHBondContact OE1-OG 3.41Å
514	Y	93.4	Very high	90.5	Very high	3 Å²	3	22.4 Å²	22.4	1%	0.012	12%	0.124	C	C	.	.			trans	-136.2	-8.5	-166.7	65.6	-92.2	0	0	0	113.5	S516 L521 P522 I527 L543 F544 Y637 L639	Y514-S516 PolarHBondContact O-N 3.49Å; Y514-L521 HydrophobicContact CD2-CD2 3.94Å; Y514-L521 HydrophobicContact CE2-CD2 3.77Å; Y514-P522 WeakPolarHBondContact O-CD 3.48Å; Y514-I527 HydrophobicContact CD1-CD1 4.09Å; Y514-I527 HydrophobicContact CD2-CD1 3.81Å; Y514-I527 HydrophobicContact CE2-CD1 4.46Å; Y514-I527 HydrophobicContact CG-CD1 3.6Å; Y514-L543 HydrophobicContact CD1-CD2 4.08Å; Y514-L543 HydrophobicContact CE1-CD2 3.92Å; Y514-F544 HydrophobicContact CE1-CZ 4.2Å; Y514-Y637 HydrophobicContact CE2-CE2 4.28Å; Y514-L639 HydrophobicContact CE1-CD1 4.06Å
515	N	90.8	Very high	91	Very high	22 Å²	22	16.8 Å²	16.8	12%	0.118	9%	0.094	C	C	.	.	P	Polyproline II helix	trans	-72.8	126.6	-176.1	-66	-42.6	0	0	0	110	S571 H581	N515-S571 WeakPolarHBondContact ND2-CB 3.44Å; N515-S571 PolarHBondContact ND2-OG 2.67Å; N515-H581 PolarHBondContact O-CD2 3.07Å; N515-H581 PolarHBondContact O-NE2 3.25Å
516	S	90.6	Very high	91.6	Very high	11 Å²	11	14.7 Å²	14.7	8%	0.077	8%	0.079	C	C	.	.	P	Polyproline II helix	trans	-92.2	168.4	170.7	-170	0	0	0	0	110.4	Y514 Q520 T582 G585	Y514-S516 PolarHBondContact O-N 3.49Å; S516-Q520 WeakPolarHBondContact CA-O 3.5Å; S516-Q520 WeakPolarHBondContact CB-O 3.47Å; S516-Q520 PolarHBondContact N-O 3.4Å; S516-T582 PolarHBondContact OG-O 3.22Å; S516-G585 WeakPolarHBondContact OG-CA 3.33Å
517	L	88.5	Confident	92	Very high	3 Å²	3	13.6 Å²	13.6	2%	0.016	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-58.5	157.6	171.5	-68.1	169.3	0	0	0	111.7	G519 Q520 P577 T582 V583 Y863	L517-G519 PolarHBondContact O-N 2.68Å; L517-G519 VanDerWaalsContact O-N 3.16Å; L517-Q520 WeakPolarHBondContact O-CB 3.46Å; L517-Q520 PolarHBondContact O-N 2.61Å; L517-Q520 VanDerWaalsContact O-N 3.14Å; L517-P577 HydrophobicContact CD2-CB 4.32Å; L517-T582 VanDerWaalsContact CG-O 3.27Å; L517-T582 WeakPolarHBondContact CG-O 3.12Å; L517-T582 PolarHBondContact N-O 3.29Å; L517-V583 HydrophobicContact CD1-CG2 4.48Å; L517-Y863 VanDerWaalsContact CD1-CB 3.43Å; L517-Y863 HydrophobicContact CD1-CG 4.04Å
518	N	85.9	Confident	92.1	Very high	27 Å²	27	13.6 Å²	13.6	14%	0.144	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	61.1	18.6	178.3	-60.4	-37.6	0	0	0	115.3	Q520 S575 D865 W866	N518-Q520 PolarHBondContact O-N 3.13Å; N518-S575 PolarHBondContact N-OG 2.8Å; N518-S575 VanDerWaalsContact N-OG 3.15Å; N518-D865 WeakPolarHBondContact OD1-CA 3.32Å; N518-D865 PolarHBondContact OD1-OD1 3.22Å; N518-W866 HydrophobicContact CB-CE3 4.25Å; N518-W866 PolarHBondContact OD1-N 2.87Å
519	G	85.2	Confident	92.3	Very high	11 Å²	11	12.6 Å²	12.6	11%	0.113	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	74.7	10.9	-176.5	0	0	0	0	0	113.7	L517	L517-G519 PolarHBondContact O-N 2.68Å; L517-G519 VanDerWaalsContact O-N 3.16Å
520	Q	88.9	Confident	92.4	Very high	84 Å²	84	11.7 Å²	11.7	39%	0.393	6%	0.062	S	C	.	.			trans	-68.8	143.2	173.2	-173.8	-178.8	6.1	0	0	109.9	S516 L517 N518 G585	S516-Q520 WeakPolarHBondContact CA-O 3.5Å; S516-Q520 WeakPolarHBondContact CB-O 3.47Å; S516-Q520 PolarHBondContact N-O 3.4Å; L517-Q520 WeakPolarHBondContact O-CB 3.46Å; L517-Q520 PolarHBondContact O-N 2.61Å; L517-Q520 VanDerWaalsContact O-N 3.14Å; N518-Q520 PolarHBondContact O-N 3.13Å; Q520-G585 PolarHBondContact NE2-O 3.41Å; Q520-G585 PolarHBondContact OE1-O 3.11Å
521	L	92	Very high	92.4	Very high	11 Å²	11	11.8 Å²	11.8	6%	0.058	6%	0.062	C	C	.	.			trans	-124.3	145	179.3	-57.9	173.2	0	0	0	109.9	Y514 Q572 F635 Y637	Y514-L521 HydrophobicContact CD2-CD2 3.94Å; Y514-L521 HydrophobicContact CE2-CD2 3.77Å; L521-Q572 HydrophobicContact CD2-CG 4.06Å; L521-F635 WeakPolarHBondContact CB-O 3.34Å; L521-Y637 HydrophobicContact CB-CE1 4.03Å; L521-Y637 HydrophobicContact CD1-CD1 4.3Å; L521-Y637 HydrophobicContact CD1-CD2 4.32Å; L521-Y637 HydrophobicContact CD1-CE1 4.22Å; L521-Y637 HydrophobicContact CD1-CE2 4.25Å; L521-Y637 HydrophobicContact CD1-CG 4.34Å; L521-Y637 WeakPolarHBondContact CD1-O 3.49Å
522	P	92.6	Very high	92.3	Very high	7 Å²	7	16.7 Å²	16.7	5%	0.045	8%	0.081	C	C	.	.			trans	-68.6	162.7	171.9	30.6	-35.4	0	0	0	109.5	Y514 L524 I527 H590 L592 Y637	Y514-P522 WeakPolarHBondContact O-CD 3.48Å; P522-L524 PolarHBondContact O-N 2.83Å; P522-I527 HydrophobicContact CG-CD1 4.42Å; P522-H590 HydrophobicContact CB-CB 4.3Å; P522-L592 HydrophobicContact CG-CD2 4.08Å; P522-Y637 VanDerWaalsContact O-CE1 3.28Å; P522-Y637 WeakPolarHBondContact O-CE1 3.16Å; P522-Y637 PolarHBondContact O-OH 3.28Å
523	N	92.9	Very high	92.2	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	8%	0.08	C	C	.	.			trans	-54.7	128.2	173.7	-173.5	-34.8	0	0	0	111.1	D525 L526 H590 L630 S633 F635	N523-D525 PolarHBondContact O-N 3.24Å; N523-D525 VanDerWaalsContact O-N 3.16Å; N523-D525 PolarHBondContact OD1-N 2.82Å; N523-L526 WeakPolarHBondContact O-CB 3.43Å; N523-L526 PolarHBondContact O-N 3.47Å; N523-H590 PolarHBondContact N-ND1 3.04Å; N523-L630 HydrophobicContact CB-CB 4Å; N523-L630 HydrophobicContact CB-CD1 4.41Å; N523-L630 WeakPolarHBondContact ND2-CB 3.5Å; N523-L630 PolarHBondContact ND2-O 3.35Å; N523-S633 WeakPolarHBondContact OD1-CB 3.38Å; N523-S633 PolarHBondContact OD1-OG 2.69Å; N523-F635 HydrophobicContact CB-CE1 3.86Å; N523-F635 HydrophobicContact CB-CZ 4.38Å
524	L	92.9	Very high	92.3	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.01	7%	0.069	C	C	.	.	H	α-helix	trans	-55	-32	-178.8	-179.8	61.4	0	0	0	113.3	P522 L526 I527 N528 F634 Y637 L639 Y645	P522-L524 PolarHBondContact O-N 2.83Å; L524-L526 PolarHBondContact O-N 3.3Å; L524-I527 PolarHBondContact O-N 2.85Å; L524-I527 VanDerWaalsContact O-N 3.13Å; L524-N528 VanDerWaalsContact O-CG 3.24Å; L524-N528 PolarHBondContact O-N 3.48Å; L524-N528 PolarHBondContact O-ND2 3Å; L524-F634 HydrophobicContact CD2-CB 4.49Å; L524-F634 HydrophobicContact CD2-CD2 4.4Å; L524-F634 PolarHBondContact N-O 3.27Å; L524-Y637 HydrophobicContact CB-CD1 3.95Å; L524-Y637 HydrophobicContact CB-CE1 3.73Å; L524-Y637 HydrophobicContact CD1-CD1 4.45Å; L524-Y637 HydrophobicContact CD1-CD2 3.97Å; L524-Y637 HydrophobicContact CD1-CE1 4.36Å; L524-Y637 HydrophobicContact CD1-CE2 3.86Å; L524-Y637 HydrophobicContact CD1-CG 4.27Å; L524-L639 HydrophobicContact CD1-CD2 3.83Å; L524-Y645 HydrophobicContact CD2-CD1 3.86Å; L524-Y645 HydrophobicContact CD2-CD2 3.78Å; L524-Y645 HydrophobicContact CD2-CE1 4.3Å; L524-Y645 HydrophobicContact CD2-CE2 4.23Å; L524-Y645 HydrophobicContact CD2-CG 3.58Å
525	D	93.4	Very high	92.3	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-63.5	-29.9	178.2	-80.3	10.7	0	0	0	112.4	S332 E333 L336 N523 N528 L529 S633	S332-D525 WeakPolarHBondContact CA-OD2 3.35Å; S332-D525 WeakPolarHBondContact CB-OD2 3.1Å; S332-D525 PolarHBondContact N-OD1 3.36Å; S332-D525 PolarHBondContact N-OD2 3.41Å; S332-D525 PolarHBondContact OG-OD1 3.44Å; E333-D525 PolarHBondContact N-OD2 3.04Å; L336-D525 HydrophobicContact CD1-CB 3.93Å; N523-D525 PolarHBondContact O-N 3.24Å; N523-D525 VanDerWaalsContact O-N 3.16Å; N523-D525 PolarHBondContact OD1-N 2.82Å; D525-N528 PolarHBondContact O-N 2.8Å; D525-L529 WeakPolarHBondContact O-CB 3.26Å; D525-L529 PolarHBondContact O-N 3Å; D525-S633 WeakPolarHBondContact OD1-CB 3.13Å; D525-S633 PolarHBondContact OD1-OG 2.84Å
526	L	94.4	Very high	92.4	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-66.9	-39.3	175.3	-176.1	60.7	0	0	0	111.3	V495 N523 L524 L529 A530 H590 L592 V623 L630	V495-L526 HydrophobicContact CG1-CD1 4.03Å; V495-L526 HydrophobicContact CG1-CD2 4.09Å; N523-L526 WeakPolarHBondContact O-CB 3.43Å; N523-L526 PolarHBondContact O-N 3.47Å; L524-L526 PolarHBondContact O-N 3.3Å; L526-L529 HydrophobicContact CD1-CD2 4.27Å; L526-A530 PolarHBondContact O-N 3.3Å; L526-A530 VanDerWaalsContact O-N 3.11Å; L526-H590 HydrophobicContact CD2-CB 3.66Å; L526-L592 HydrophobicContact CD1-CD1 4.44Å; L526-L592 HydrophobicContact CD2-CD1 4.19Å; L526-L592 HydrophobicContact CD2-CG 3.92Å; L526-L592 HydrophobicContact CG-CD1 3.7Å; L526-L592 HydrophobicContact CG-CG 4.01Å; L526-V623 HydrophobicContact CD1-CG2 4.35Å; L526-L630 HydrophobicContact CB-CD1 4.21Å
527	I	95	Very high	92.4	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.01	10%	0.1	C	C	.	.	H	α-helix	trans	-67.5	-45.1	173.8	-60.6	-179.6	0	0	0	109.9	Y514 P522 L524 L529 A530 V531 L592 Y637 L639	Y514-I527 HydrophobicContact CD1-CD1 4.09Å; Y514-I527 HydrophobicContact CD2-CD1 3.81Å; Y514-I527 HydrophobicContact CE2-CD1 4.46Å; Y514-I527 HydrophobicContact CG-CD1 3.6Å; P522-I527 HydrophobicContact CG-CD1 4.42Å; L524-I527 PolarHBondContact O-N 2.85Å; L524-I527 VanDerWaalsContact O-N 3.13Å; I527-L529 VanDerWaalsContact C-N 3.31Å; I527-L529 PolarHBondContact O-N 3.25Å; I527-A530 WeakPolarHBondContact O-CB 3.4Å; I527-A530 PolarHBondContact O-N 3.48Å; I527-A530 VanDerWaalsContact O-N 3.09Å; I527-V531 HydrophobicContact CG2-CG2 4.25Å; I527-V531 WeakPolarHBondContact O-CG2 3.41Å; I527-V531 PolarHBondContact O-N 3.39Å; I527-L592 HydrophobicContact CG1-CD2 3.88Å; I527-Y637 HydrophobicContact CD1-CE2 3.93Å; I527-Y637 WeakPolarHBondContact CD1-OH 3.4Å; I527-L639 HydrophobicContact CD1-CD1 4.01Å; I527-L639 HydrophobicContact CG2-CD1 4.22Å
528	N	93.6	Very high	92.5	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.011	13%	0.131	C	C	.	.	H	α-helix	trans	-63.1	-39.7	-179.7	-65.3	-18.4	0	0	0	111.6	T329 Y330 I331 L524 D525 V531 R532	T329-N528 VanDerWaalsContact CB-OD1 3.3Å; T329-N528 WeakPolarHBondContact CB-OD1 3.24Å; T329-N528 VanDerWaalsContact CG2-OD1 3.29Å; T329-N528 WeakPolarHBondContact CG2-OD1 3.43Å; Y330-N528 PolarHBondContact O-ND2 2.76Å; I331-N528 HydrophobicContact CG1-CB 4.25Å; L524-N528 VanDerWaalsContact O-CG 3.24Å; L524-N528 PolarHBondContact O-N 3.48Å; L524-N528 PolarHBondContact O-ND2 3Å; D525-N528 PolarHBondContact O-N 2.8Å; N528-V531 PolarHBondContact O-N 3.4Å; N528-R532 WeakPolarHBondContact O-CB 3.5Å; N528-R532 WeakPolarHBondContact O-CG 2.96Å; N528-R532 PolarHBondContact O-N 2.82Å
529	L	93.9	Very high	92.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-56.5	-49.3	170.9	169	66.1	0	0	0	110.7	L336 V338 D525 L526 I527 R532 S533 M619 S622 V623	L336-L529 HydrophobicContact CD2-CD2 4.31Å; V338-L529 HydrophobicContact CB-CD1 4.12Å; V338-L529 HydrophobicContact CG1-CD1 3.8Å; V338-L529 HydrophobicContact CG2-CB 4.45Å; V338-L529 HydrophobicContact CG2-CD1 3.31Å; V338-L529 HydrophobicContact CG2-CG 4.45Å; D525-L529 WeakPolarHBondContact O-CB 3.26Å; D525-L529 PolarHBondContact O-N 3Å; L526-L529 HydrophobicContact CD1-CD2 4.27Å; I527-L529 VanDerWaalsContact C-N 3.31Å; I527-L529 PolarHBondContact O-N 3.25Å; L529-R532 PolarHBondContact O-N 2.69Å; L529-S533 WeakPolarHBondContact O-CB 3.43Å; L529-S533 PolarHBondContact O-N 2.8Å; L529-M619 HydrophobicContact CD2-CB 4.35Å; L529-M619 HydrophobicContact CD2-CG 4.48Å; L529-M619 HydrophobicContact CG-CB 4.49Å; L529-M619 HydrophobicContact CG-CG 4.14Å; L529-S622 VanDerWaalsContact CD1-CB 3.47Å; L529-S622 WeakPolarHBondContact CD1-OG 3.32Å; L529-V623 HydrophobicContact CD2-CG2 4Å
530	A	95.7	Very high	93.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.2	-49.5	178.5	0	0	0	0	0	111.8	I512 L526 I527 R532 S533 M534 L592 M619	I512-A530 HydrophobicContact CD1-CB 4.08Å; L526-A530 PolarHBondContact O-N 3.3Å; L526-A530 VanDerWaalsContact O-N 3.11Å; I527-A530 WeakPolarHBondContact O-CB 3.4Å; I527-A530 PolarHBondContact O-N 3.48Å; I527-A530 VanDerWaalsContact O-N 3.09Å; A530-R532 PolarHBondContact O-N 3.44Å; A530-S533 PolarHBondContact O-N 3.44Å; A530-M534 HydrophobicContact CB-CE 4.16Å; A530-M534 WeakPolarHBondContact O-CG 3.38Å; A530-M534 PolarHBondContact O-N 2.96Å; A530-L592 HydrophobicContact CB-CD1 4.01Å; A530-M619 HydrophobicContact CB-CE 3.59Å; A530-M619 HydrophobicContact CB-SD 3.88Å
531	V	95.5	Very high	93.5	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.012	12%	0.119	C	C	.	.	H	α-helix	trans	-59.3	-47.5	179.6	169.5	0	0	0	0	111.6	I512 I527 N528 M534 R535 P541 V642	I512-V531 HydrophobicContact CD1-CG2 3.64Å; I527-V531 HydrophobicContact CG2-CG2 4.25Å; I527-V531 WeakPolarHBondContact O-CG2 3.41Å; I527-V531 PolarHBondContact O-N 3.39Å; N528-V531 PolarHBondContact O-N 3.4Å; V531-M534 PolarHBondContact O-N 3.16Å; V531-R535 WeakPolarHBondContact O-CG 3.22Å; V531-R535 PolarHBondContact O-N 3.21Å; V531-P541 HydrophobicContact CG1-CB 4.43Å; V531-P541 HydrophobicContact CG1-CG 3.95Å; V531-P541 HydrophobicContact CG2-CB 4.19Å; V531-V642 HydrophobicContact CG1-CB 4.39Å; V531-V642 HydrophobicContact CG2-CB 4.38Å
532	R	94.1	Very high	93.6	Very high	106 Å²	106	22.2 Å²	22.2	40%	0.4	12%	0.117	S	C	.	.	H	α-helix	trans	-68.4	-41.4	-180	-71.7	-173.4	-172.8	-175.1	-2.2	112	T329 I331 V338 N528 L529 A530 M534 R535 K536	T329-R532 PolarHBondContact O-NH2 3.46Å; I331-R532 VanDerWaalsContact CD1-NH1 3.35Å; V338-R532 HydrophobicContact CG1-CB 3.9Å; N528-R532 WeakPolarHBondContact O-CB 3.5Å; N528-R532 WeakPolarHBondContact O-CG 2.96Å; N528-R532 PolarHBondContact O-N 2.82Å; L529-R532 PolarHBondContact O-N 2.69Å; A530-R532 PolarHBondContact O-N 3.44Å; R532-M534 VanDerWaalsContact C-N 3.34Å; R532-M534 PolarHBondContact O-N 2.71Å; R532-R535 PolarHBondContact O-N 3.49Å; R532-K536 PolarHBondContact O-N 3.22Å
533	S	93.8	Very high	93.6	Very high	1 Å²	1	22 Å²	22	1%	0.007	12%	0.115	C	C	.	.	H	α-helix	trans	-60.3	-43.8	176.4	-179.1	0	0	0	0	111.5	L529 A530 R535 K536 H537 V615 S618	L529-S533 WeakPolarHBondContact O-CB 3.43Å; L529-S533 PolarHBondContact O-N 2.8Å; A530-S533 PolarHBondContact O-N 3.44Å; S533-R535 PolarHBondContact O-N 3.01Å; S533-K536 PolarHBondContact O-N 3.08Å; S533-H537 PolarHBondContact O-N 3.42Å; S533-H537 PolarHBondContact O-ND1 3.43Å; S533-V615 VanDerWaalsContact OG-CA 3.26Å; S533-V615 WeakPolarHBondContact OG-CA 3.21Å; S533-V615 WeakPolarHBondContact OG-CG1 3.31Å; S533-V615 PolarHBondContact OG-O 2.78Å; S533-S618 WeakPolarHBondContact OG-CB 3.47Å
534	M	94.9	Very high	93.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.3	-47	176.1	-70.6	170.4	-165.2	0	0	112.4	V510 I512 A530 V531 R532 H537 G538 L539 P541 L594 V615	V510-M534 HydrophobicContact CB-CE 3.89Å; V510-M534 HydrophobicContact CB-CG 4.48Å; V510-M534 HydrophobicContact CB-SD 3.7Å; V510-M534 HydrophobicContact CG1-CE 3.48Å; V510-M534 VanDerWaalsContact CG1-CE 3.48Å; V510-M534 HydrophobicContact CG1-SD 4.01Å; V510-M534 HydrophobicContact CG2-SD 4.39Å; I512-M534 HydrophobicContact CD1-CE 3.9Å; I512-M534 HydrophobicContact CD1-SD 4.02Å; I512-M534 HydrophobicContact CG1-CE 3.68Å; I512-M534 HydrophobicContact CG1-SD 4.21Å; A530-M534 HydrophobicContact CB-CE 4.16Å; A530-M534 WeakPolarHBondContact O-CG 3.38Å; A530-M534 PolarHBondContact O-N 2.96Å; V531-M534 PolarHBondContact O-N 3.16Å; R532-M534 VanDerWaalsContact C-N 3.34Å; R532-M534 PolarHBondContact O-N 2.71Å; M534-H537 CarbonylContact O-C 3.59Å; M534-H537 PolarHBondContact O-N 3.21Å; M534-G538 PolarHBondContact O-N 3.34Å; M534-L539 CarbonylContact C-O 3.56Å; M534-L539 VanDerWaalsContact C-O 3.28Å; M534-L539 HydrophobicContact CB-CB 4.23Å; M534-L539 PolarHBondContact O-N 3.26Å; M534-L539 VanDerWaalsContact O-O 3.11Å; M534-P541 HydrophobicContact CB-CB 4.47Å; M534-P541 HydrophobicContact SD-CB 3.71Å; M534-L594 HydrophobicContact CE-CD1 4.23Å; M534-L594 HydrophobicContact CE-CD2 3.69Å; M534-V615 HydrophobicContact CG-CG1 3.76Å; M534-V615 HydrophobicContact CG-CG2 4.23Å
535	R	93.4	Very high	93.3	Very high	103 Å²	103	27.1 Å²	27.1	39%	0.389	14%	0.139	S	C	.	.	H	α-helix	trans	-65.4	-40.8	179.6	-72.2	-176.8	-175.6	152	7.5	113.1	V531 R532 S533 H537 G538 P541 V642 D643	V531-R535 WeakPolarHBondContact O-CG 3.22Å; V531-R535 PolarHBondContact O-N 3.21Å; R532-R535 PolarHBondContact O-N 3.49Å; S533-R535 PolarHBondContact O-N 3.01Å; R535-H537 PolarHBondContact O-N 3.24Å; R535-G538 PolarHBondContact O-N 3.46Å; R535-G538 VanDerWaalsContact O-N 3.12Å; R535-P541 HydrophobicContact CG-CG 4.28Å; R535-V642 VanDerWaalsContact NH2-CG2 3.33Å; R535-D643 IonicContact CZ-OD1 3.57Å; R535-D643 IonicContact CZ-OD2 2.6Å; R535-D643 IonicContact NH1-OD1 3.9Å; R535-D643 PolarHBondContact NH1-OD1 2.88Å; R535-D643 IonicContact NH1-OD2 2.57Å; R535-D643 PolarHBondContact NH1-OD2 3.42Å; R535-D643 IonicContact NH2-OD1 2.8Å; R535-D643 PolarHBondContact NH2-OD1 3.3Å; R535-D643 IonicContact NH2-OD2 3.43Å; R535-D643 PolarHBondContact NH2-OD2 3.18Å
536	K	92.3	Very high	93	Very high	84 Å²	84	28.7 Å²	28.7	37%	0.365	15%	0.146	S	C	.	.	H	α-helix	trans	-52.7	-38.4	174.6	178.3	-178.7	169.5	-170.7	0	111.1	G339 V341 E343 R532 S533	G339-K536 PolarHBondContact O-NZ 3.42Å; V341-K536 PolarHBondContact O-NZ 2.65Å; E343-K536 VanDerWaalsContact CD-NZ 3.26Å; E343-K536 IonicContact OE1-NZ 2.68Å; E343-K536 PolarHBondContact OE1-NZ 3.27Å; E343-K536 IonicContact OE2-NZ 3.04Å; E343-K536 PolarHBondContact OE2-NZ 2.77Å; R532-K536 PolarHBondContact O-N 3.22Å; S533-K536 PolarHBondContact O-N 3.08Å
537	H	91.7	Very high	92.5	Very high	23 Å²	23	33.5 Å²	33.5	11%	0.106	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	12	-176.2	-61.8	101	0	0	0	114.8	E343 S533 M534 R535 L539 S611 K614 V615	E343-H537 VanDerWaalsContact CD-CE1 3.43Å; E343-H537 IonicContact OE1-CE1 3.46Å; E343-H537 PolarHBondContact OE1-CE1 2.97Å; E343-H537 IonicContact OE1-NE2 3Å; E343-H537 PolarHBondContact OE1-NE2 2.9Å; E343-H537 IonicContact OE2-CE1 3.64Å; E343-H537 IonicContact OE2-NE2 3.31Å; E343-H537 PolarHBondContact OE2-NE2 3.43Å; E343-H537 VanDerWaalsContact OE2-NE2 3.16Å; S533-H537 PolarHBondContact O-N 3.42Å; S533-H537 PolarHBondContact O-ND1 3.43Å; M534-H537 CarbonylContact O-C 3.59Å; M534-H537 PolarHBondContact O-N 3.21Å; R535-H537 PolarHBondContact O-N 3.24Å; H537-L539 VanDerWaalsContact C-N 3.34Å; H537-L539 PolarHBondContact O-N 2.73Å; H537-S611 VanDerWaalsContact O-CB 3.26Å; H537-S611 WeakPolarHBondContact O-CB 3.48Å; H537-S611 PolarHBondContact O-OG 3.3Å; H537-K614 VanDerWaalsContact CD2-CB 3.41Å; H537-K614 WeakPolarHBondContact CD2-CB 3.3Å; H537-K614 WeakPolarHBondContact NE2-CB 3.05Å; H537-V615 HydrophobicContact CB-CG2 3.8Å
538	G	90.3	Very high	91.9	Very high	65 Å²	65	36.7 Å²	36.7	67%	0.67	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.2	16.8	176.4	0	0	0	0	0	115.1	M534 R535	M534-G538 PolarHBondContact O-N 3.34Å; R535-G538 PolarHBondContact O-N 3.46Å; R535-G538 VanDerWaalsContact O-N 3.12Å
539	L	92.9	Very high	91.2	Very high	7 Å²	7	44 Å²	44	4%	0.037	21%	0.211	C	C	.	.			trans	-96.7	141.9	172.8	-67.4	177.1	0	0	0	110.7	P507 V510 M534 H537 P541 F612 V615	P507-L539 WeakPolarHBondContact O-CD2 3.36Å; V510-L539 HydrophobicContact CG2-CB 4.24Å; V510-L539 HydrophobicContact CG2-CD1 3.86Å; M534-L539 CarbonylContact C-O 3.56Å; M534-L539 VanDerWaalsContact C-O 3.28Å; M534-L539 HydrophobicContact CB-CB 4.23Å; M534-L539 PolarHBondContact O-N 3.26Å; M534-L539 VanDerWaalsContact O-O 3.11Å; H537-L539 VanDerWaalsContact C-N 3.34Å; H537-L539 PolarHBondContact O-N 2.73Å; L539-P541 WeakPolarHBondContact O-CD 3.47Å; L539-F612 HydrophobicContact CD1-CB 3.76Å; L539-F612 HydrophobicContact CD1-CD2 4.13Å; L539-F612 HydrophobicContact CD1-CG 4.42Å; L539-V615 HydrophobicContact CD1-CG2 4.04Å
540	T	93.6	Very high	90.5	Very high	52 Å²	52	55.6 Å²	55.6	32%	0.319	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	114.7	-179.8	-57.2	0	0	0	0	110.7	T508 H509 V510 R547	T508-T540 PolarHBondContact O-N 3.47Å; H509-T540 VanDerWaalsContact CA-O 3.25Å; H509-T540 WeakPolarHBondContact CA-O 3.37Å; V510-T540 PolarHBondContact N-O 3.47Å; T540-R547 HydrophobicContact CG2-CG 4.22Å
541	P	95.3	Very high	89.7	Confident	8 Å²	8	57.7 Å²	57.7	5%	0.052	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	141.7	174.3	27.5	-32	0	0	0	110.9	V510 I512 V531 M534 R535 L539 V642	V510-P541 CarbonylContact O-C 3.59Å; V510-P541 WeakPolarHBondContact O-CA 3.36Å; I512-P541 HydrophobicContact CD1-CB 4.28Å; V531-P541 HydrophobicContact CG1-CB 4.43Å; V531-P541 HydrophobicContact CG1-CG 3.95Å; V531-P541 HydrophobicContact CG2-CB 4.19Å; M534-P541 HydrophobicContact CB-CB 4.47Å; M534-P541 HydrophobicContact SD-CB 3.71Å; R535-P541 HydrophobicContact CG-CG 4.28Å; L539-P541 WeakPolarHBondContact O-CD 3.47Å; P541-V642 HydrophobicContact CB-CG1 4.36Å
542	T	94.1	Very high	89	Confident	0 Å²	0	67 Å²	67	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	153.3	172	58.3	0	0	0	0	111.4	V510 N511 I512 Q546 R547 Y597	V510-T542 PolarHBondContact O-N 2.87Å; V510-T542 PolarHBondContact O-OG1 3.37Å; N511-T542 CarbonylContact C-O 3.59Å; N511-T542 WeakPolarHBondContact CA-O 3.04Å; N511-T542 WeakPolarHBondContact CA-OG1 3.15Å; N511-T542 PolarHBondContact OD1-O 2.79Å; I512-T542 PolarHBondContact N-O 3.31Å; T542-Q546 VanDerWaalsContact CB-O 3.29Å; T542-Q546 WeakPolarHBondContact CB-O 3.37Å; T542-Q546 WeakPolarHBondContact CG2-O 3.3Å; T542-R547 HydrophobicContact CG2-CB 3.95Å; T542-R547 HydrophobicContact CG2-CG 4.29Å; T542-Y597 WeakPolarHBondContact CG2-OH 3.32Å; T542-Y597 WeakPolarHBondContact OG1-CE1 3.21Å; T542-Y597 PolarHBondContact OG1-OH 3.17Å
543	L	92.5	Very high	88.6	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	138.7	171.8	-61.5	172.4	0	0	0	107.7	I512 Y514 M545 Q546 M564 L639 V642	I512-L543 HydrophobicContact CB-CD2 3.89Å; I512-L543 HydrophobicContact CG2-CD2 4.42Å; Y514-L543 HydrophobicContact CD1-CD2 4.08Å; Y514-L543 HydrophobicContact CE1-CD2 3.92Å; L543-M545 PolarHBondContact O-N 3.11Å; L543-M545 VanDerWaalsContact O-N 3.1Å; L543-Q546 WeakPolarHBondContact O-CB 3.26Å; L543-Q546 PolarHBondContact O-N 3.24Å; L543-M564 HydrophobicContact CB-CE 3.6Å; L543-M564 HydrophobicContact CD1-CE 4.46Å; L543-L639 HydrophobicContact CD1-CB 3.83Å; L543-L639 HydrophobicContact CD1-CD1 3.73Å; L543-L639 HydrophobicContact CD1-CG 4.42Å; L543-V642 HydrophobicContact CD1-CG1 4.02Å; L543-V642 HydrophobicContact CG-CG1 3.83Å
544	F	90	Very high	88.1	Confident	35 Å²	35	72.5 Å²	72.5	15%	0.154	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	33	-176.8	-48.4	-65	0	0	0	113.8	N511 Y514 Q546 M564 L567 S571	N511-F544 PolarHBondContact OD1-N 3.44Å; Y514-F544 HydrophobicContact CE1-CZ 4.2Å; F544-Q546 PolarHBondContact O-N 3.36Å; F544-M564 HydrophobicContact CD2-CE 3.63Å; F544-M564 HydrophobicContact CD2-SD 4.45Å; F544-M564 HydrophobicContact CE2-CE 4.26Å; F544-L567 HydrophobicContact CB-CD1 4.2Å; F544-L567 HydrophobicContact CD2-CB 3.87Å; F544-L567 HydrophobicContact CD2-CD1 4.45Å; F544-L567 HydrophobicContact CE2-CB 4.16Å; F544-L567 HydrophobicContact CG-CB 4.28Å; F544-S571 WeakPolarHBondContact CE1-OG 3.38Å; F544-S571 VanDerWaalsContact CZ-OG 3.26Å; F544-S571 WeakPolarHBondContact CZ-OG 3.33Å
545	M	88.2	Confident	87.8	Confident	77 Å²	77	78.1 Å²	78.1	38%	0.379	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	10.6	-173.5	-62.8	-69.1	-177.8	0	0	115.1	N511 L543 Y597 K599	N511-M545 HydrophobicContact CB-CE 3.64Å; N511-M545 HydrophobicContact CB-CG 4.5Å; N511-M545 HydrophobicContact CB-SD 3.52Å; N511-M545 VanDerWaalsContact CB-SD 3.52Å; N511-M545 PolarHBondContact OD1-N 2.87Å; L543-M545 PolarHBondContact O-N 3.11Å; L543-M545 VanDerWaalsContact O-N 3.1Å; M545-Y597 HydrophobicContact CE-CD1 4.26Å; M545-Y597 HydrophobicContact CE-CE1 4.5Å; M545-Y597 HydrophobicContact SD-CD1 3.74Å; M545-Y597 HydrophobicContact SD-CE1 3.49Å; M545-Y597 WeakPolarHBondContact SD-CE1 3.48Å; M545-Y597 HydrophobicContact SD-CE2 4.37Å; M545-Y597 HydrophobicContact SD-CG 4.32Å; M545-K599 PolarHBondContact O-NZ 3.11Å
546	Q	87.7	Confident	87.4	Confident	33 Å²	33	77.2 Å²	77.2	15%	0.154	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-90.9	130.9	178.2	-61.4	-55.8	-41	0	0	110.6	T542 L543 F544 F560 M564 L567 S827	T542-Q546 VanDerWaalsContact CB-O 3.29Å; T542-Q546 WeakPolarHBondContact CB-O 3.37Å; T542-Q546 WeakPolarHBondContact CG2-O 3.3Å; L543-Q546 WeakPolarHBondContact O-CB 3.26Å; L543-Q546 PolarHBondContact O-N 3.24Å; F544-Q546 PolarHBondContact O-N 3.36Å; Q546-F560 HydrophobicContact CB-CE2 4.12Å; Q546-F560 HydrophobicContact CB-CZ 4.24Å; Q546-M564 HydrophobicContact CB-CE 4.43Å; Q546-M564 HydrophobicContact CB-SD 3.54Å; Q546-M564 VanDerWaalsContact CB-SD 3.54Å; Q546-M564 HydrophobicContact CG-SD 3.83Å; Q546-L567 HydrophobicContact CG-CD1 4.18Å; Q546-S827 PolarHBondContact NE2-O 2.79Å
547	R	84.2	Confident	87.2	Confident	103 Å²	103	74.7 Å²	74.7	39%	0.389	37%	0.37	S	S	.	.			trans	-108.9	125.6	175.6	-172.2	-175.9	82.9	97.9	-7.1	108.7	H509 T540 T542 K549	H509-R547 VanDerWaalsContact NE2-CD 3.32Å; H509-R547 WeakPolarHBondContact NE2-CD 3.43Å; T540-R547 HydrophobicContact CG2-CG 4.22Å; T542-R547 HydrophobicContact CG2-CB 3.95Å; T542-R547 HydrophobicContact CG2-CG 4.29Å; R547-K549 PolarHBondContact O-N 2.82Å; R547-K549 VanDerWaalsContact O-N 3.1Å
548	Q	81.6	Confident	87	Confident	69 Å²	69	76.5 Å²	76.5	32%	0.322	38%	0.379	S	S	.	.			trans	-64.1	114.3	169.5	-168	169	-10.5	0	0	108.8	D557 F560 S641	Q548-D557 PolarHBondContact NE2-OD1 3.04Å; Q548-D557 VanDerWaalsContact NE2-OD1 3.14Å; Q548-F560 HydrophobicContact CB-CD1 4.33Å; Q548-F560 HydrophobicContact CB-CE1 3.64Å; Q548-F560 HydrophobicContact CB-CZ 3.94Å; Q548-F560 HydrophobicContact CG-CD1 4.01Å; Q548-F560 HydrophobicContact CG-CE1 3.82Å; Q548-S641 PolarHBondContact OE1-OG 3.46Å
549	K	80.3	Confident	87	Confident	154 Å²	154	78.3 Å²	78.3	67%	0.67	38%	0.377	S	S	*	.			trans	-80.1	155.7	169.9	-65.6	179.7	-176.2	173.7	0	108.1	R547 A551	R547-K549 PolarHBondContact O-N 2.82Å; R547-K549 VanDerWaalsContact O-N 3.1Å; K549-A551 PolarHBondContact O-N 3.43Å
550	R	78.6	Confident	86.8	Confident	244 Å²	244	79.9 Å²	79.9	92%	0.921	38%	0.384	S	S	*	.			trans	-60.7	108.6	169.9	-170.6	175.3	-177.5	171	0.6	107.7
551	A	77.9	Confident	86.6	Confident	44 Å²	44	77.6 Å²	77.6	36%	0.364	37%	0.37	S	S	.	.			trans	-66.8	138.4	-178.4	0	0	0	0	0	109.8	K549 D556 D557	K549-A551 PolarHBondContact O-N 3.43Å; A551-D556 HydrophobicContact CB-CB 4.45Å; A551-D557 HydrophobicContact CB-CB 3.61Å
552	K	81.6	Confident	86.4	Confident	198 Å²	198	78.1 Å²	78.1	86%	0.861	38%	0.376	S	S	*	.	S	Bend	trans	-85.3	-35.5	175.4	-65.7	-177.4	-179.4	-178.8	0	110.8
553	T	85.8	Confident	86.3	Confident	69 Å²	69	79.8 Å²	79.8	42%	0.423	38%	0.382	S	S	.	.	S	Bend	trans	-125.6	157.3	179.3	66.9	0	0	0	0	110.5	L555 D556 D557	T553-L555 PolarHBondContact O-N 2.9Å; T553-D556 PolarHBondContact N-OD2 2.8Å; T553-D556 PolarHBondContact O-N 2.84Å; T553-D556 PolarHBondContact OG1-N 3.45Å; T553-D556 VanDerWaalsContact OG1-N 3.11Å; T553-D556 PolarHBondContact OG1-OD2 2.95Å; T553-D557 PolarHBondContact O-N 3.4Å
554	E	84.1	Confident	86.3	Confident	153 Å²	153	79.9 Å²	79.9	72%	0.715	38%	0.383	S	S	*	.	H	α-helix	trans	-63.8	-30.6	173.5	-64.4	-173.3	162.1	0	0	112.1	D557 M558	E554-D557 WeakPolarHBondContact O-CB 3.14Å; E554-D557 PolarHBondContact O-N 3.15Å; E554-M558 WeakPolarHBondContact O-CB 3.29Å; E554-M558 PolarHBondContact O-N 3.13Å
555	L	86.6	Confident	86.4	Confident	118 Å²	118	78.6 Å²	78.6	62%	0.618	38%	0.377	S	S	*	.	H	α-helix	trans	-66.2	-43.9	176.2	-67.3	178.1	0	0	0	111.7	T553 D557 M558 V559	T553-L555 PolarHBondContact O-N 2.9Å; L555-D557 PolarHBondContact O-N 3.48Å; L555-M558 HydrophobicContact CD2-CE 4.02Å; L555-M558 PolarHBondContact O-N 3.29Å; L555-V559 VanDerWaalsContact O-CG2 3.3Å; L555-V559 WeakPolarHBondContact O-CG2 3.28Å; L555-V559 PolarHBondContact O-N 2.88Å
556	D	86.4	Confident	86.6	Confident	84 Å²	84	77.9 Å²	77.9	45%	0.449	38%	0.377	S	S	.	.	H	α-helix	trans	-58.8	-40.5	176.5	-64.6	-37.2	0	0	0	111.5	A551 T553 F560	A551-D556 HydrophobicContact CB-CB 4.45Å; T553-D556 PolarHBondContact N-OD2 2.8Å; T553-D556 PolarHBondContact O-N 2.84Å; T553-D556 PolarHBondContact OG1-N 3.45Å; T553-D556 VanDerWaalsContact OG1-N 3.11Å; T553-D556 PolarHBondContact OG1-OD2 2.95Å; D556-F560 WeakPolarHBondContact O-CB 3.38Å; D556-F560 PolarHBondContact O-N 3.34Å
557	D	87.3	Confident	86.7	Confident	32 Å²	32	76.4 Å²	76.4	17%	0.171	37%	0.37	C	S	.	.	H	α-helix	trans	-68.1	-41	178.6	-167	37.5	0	0	0	111.5	Q548 A551 T553 E554 L555 F560 R561	Q548-D557 PolarHBondContact NE2-OD1 3.04Å; Q548-D557 VanDerWaalsContact NE2-OD1 3.14Å; A551-D557 HydrophobicContact CB-CB 3.61Å; T553-D557 PolarHBondContact O-N 3.4Å; E554-D557 WeakPolarHBondContact O-CB 3.14Å; E554-D557 PolarHBondContact O-N 3.15Å; L555-D557 PolarHBondContact O-N 3.48Å; D557-F560 PolarHBondContact O-N 3.46Å; D557-R561 WeakPolarHBondContact O-CB 3.06Å; D557-R561 WeakPolarHBondContact O-CG 3.34Å; D557-R561 PolarHBondContact O-N 2.93Å; D557-R561 IonicContact OD1-CZ 3.97Å; D557-R561 IonicContact OD1-NH1 2.81Å; D557-R561 PolarHBondContact OD1-NH1 3.17Å; D557-R561 IonicContact OD2-CZ 3.3Å; D557-R561 IonicContact OD2-NH1 3.7Å; D557-R561 PolarHBondContact OD2-NH1 3.15Å; D557-R561 IonicContact OD2-NH2 2.72Å; D557-R561 PolarHBondContact OD2-NH2 2.83Å
558	M	88.9	Confident	87.1	Confident	60 Å²	60	71.5 Å²	71.5	30%	0.296	35%	0.352	S	S	.	.	H	α-helix	trans	-65.9	-41.3	174.7	-169	176.8	74.1	0	0	112.1	V321 E554 L555 R561 G562	V321-M558 HydrophobicContact CG1-CG 3.97Å; V321-M558 VanDerWaalsContact CG1-O 3.26Å; V321-M558 WeakPolarHBondContact CG1-O 3.25Å; E554-M558 WeakPolarHBondContact O-CB 3.29Å; E554-M558 PolarHBondContact O-N 3.13Å; L555-M558 HydrophobicContact CD2-CE 4.02Å; L555-M558 PolarHBondContact O-N 3.29Å; M558-R561 PolarHBondContact O-N 3.06Å; M558-G562 PolarHBondContact O-N 3.13Å
559	V	89.1	Confident	87.6	Confident	103 Å²	103	68.9 Å²	68.9	62%	0.624	34%	0.34	S	S	*	.	H	α-helix	trans	-64.2	-45.1	176.3	171.3	0	0	0	0	110.7	L555 R561 G562 R563	L555-V559 VanDerWaalsContact O-CG2 3.3Å; L555-V559 WeakPolarHBondContact O-CG2 3.28Å; L555-V559 PolarHBondContact O-N 2.88Å; V559-R561 PolarHBondContact O-N 3.49Å; V559-G562 PolarHBondContact O-N 3.45Å; V559-R563 WeakPolarHBondContact O-CB 3.45Å; V559-R563 PolarHBondContact O-N 3.2Å
560	F	89.1	Confident	88.1	Confident	40 Å²	40	62.2 Å²	62.2	18%	0.175	31%	0.311	C	S	.	.	H	α-helix	trans	-59.2	-47.3	175.4	177.8	-96.4	0	0	0	111.3	Q546 Q548 D556 D557 G562 R563 M564	Q546-F560 HydrophobicContact CB-CE2 4.12Å; Q546-F560 HydrophobicContact CB-CZ 4.24Å; Q548-F560 HydrophobicContact CB-CD1 4.33Å; Q548-F560 HydrophobicContact CB-CE1 3.64Å; Q548-F560 HydrophobicContact CB-CZ 3.94Å; Q548-F560 HydrophobicContact CG-CD1 4.01Å; Q548-F560 HydrophobicContact CG-CE1 3.82Å; D556-F560 WeakPolarHBondContact O-CB 3.38Å; D556-F560 PolarHBondContact O-N 3.34Å; D557-F560 PolarHBondContact O-N 3.46Å; F560-G562 PolarHBondContact O-N 3.03Å; F560-R563 WeakPolarHBondContact O-CB 3.15Å; F560-R563 PolarHBondContact O-N 2.97Å; F560-M564 HydrophobicContact CD1-CG 4.2Å; F560-M564 HydrophobicContact CE1-CG 3.72Å; F560-M564 HydrophobicContact CE2-CG 4.34Å; F560-M564 HydrophobicContact CZ-CG 3.79Å; F560-M564 HydrophobicContact CZ-SD 4.09Å; F560-M564 WeakPolarHBondContact O-CG 3.15Å; F560-M564 PolarHBondContact O-N 3.1Å
561	R	89.8	Confident	88.6	Confident	5 Å²	5	50.9 Å²	50.9	2%	0.019	27%	0.269	C	S	.	.	H	α-helix	trans	-62.3	-41.6	175.9	-80.9	-165.9	-73.5	-80.9	-11.9	113	V321 D557 M558 V559 R563 M564 F565 P640	V321-R561 HydrophobicContact CG1-CB 3.6Å; V321-R561 PolarHBondContact O-NE 3.26Å; V321-R561 VanDerWaalsContact O-NE 3.12Å; D557-R561 WeakPolarHBondContact O-CB 3.06Å; D557-R561 WeakPolarHBondContact O-CG 3.34Å; D557-R561 PolarHBondContact O-N 2.93Å; D557-R561 IonicContact OD1-CZ 3.97Å; D557-R561 IonicContact OD1-NH1 2.81Å; D557-R561 PolarHBondContact OD1-NH1 3.17Å; D557-R561 IonicContact OD2-CZ 3.3Å; D557-R561 IonicContact OD2-NH1 3.7Å; D557-R561 PolarHBondContact OD2-NH1 3.15Å; D557-R561 IonicContact OD2-NH2 2.72Å; D557-R561 PolarHBondContact OD2-NH2 2.83Å; M558-R561 PolarHBondContact O-N 3.06Å; V559-R561 PolarHBondContact O-N 3.49Å; R561-R563 VanDerWaalsContact C-N 3.28Å; R561-R563 PolarHBondContact O-N 2.97Å; R561-M564 PolarHBondContact O-N 2.97Å; R561-M564 VanDerWaalsContact O-N 3.16Å; R561-F565 VanDerWaalsContact O-CB 3.31Å; R561-F565 WeakPolarHBondContact O-CB 3.48Å; R561-F565 PolarHBondContact O-N 3.37Å; R561-P640 HydrophobicContact CB-CB 3.98Å; R561-P640 HydrophobicContact CG-CB 3.97Å
562	G	91.5	Very high	89.2	Confident	18 Å²	18	49.1 Å²	49.1	19%	0.186	25%	0.254	C	S	.	.	H	α-helix	trans	-62.5	-41.7	-179.9	0	0	0	0	0	110.7	V321 M558 V559 F560 F565 V566	V321-G562 VanDerWaalsContact CG1-CA 3.41Å; M558-G562 PolarHBondContact O-N 3.13Å; V559-G562 PolarHBondContact O-N 3.45Å; F560-G562 PolarHBondContact O-N 3.03Å; G562-F565 PolarHBondContact O-N 3.29Å; G562-V566 WeakPolarHBondContact O-CG2 3.1Å; G562-V566 PolarHBondContact O-N 3.38Å
563	R	91	Very high	89.5	Confident	36 Å²	36	39.9 Å²	39.9	14%	0.136	21%	0.214	C	C	.	.	H	α-helix	trans	-60.4	-48	170.8	172.2	176.1	176.3	160.3	-0.8	112.4	V559 F560 R561 F565 V566 L567 L826 S829 S830	V559-R563 WeakPolarHBondContact O-CB 3.45Å; V559-R563 PolarHBondContact O-N 3.2Å; F560-R563 WeakPolarHBondContact O-CB 3.15Å; F560-R563 PolarHBondContact O-N 2.97Å; R561-R563 VanDerWaalsContact C-N 3.28Å; R561-R563 PolarHBondContact O-N 2.97Å; R563-F565 VanDerWaalsContact C-N 3.3Å; R563-F565 PolarHBondContact O-N 3.48Å; R563-V566 PolarHBondContact O-N 2.95Å; R563-L567 HydrophobicContact CG-CD1 3.99Å; R563-L567 HydrophobicContact CG-CG 4.44Å; R563-L567 WeakPolarHBondContact O-CB 3.12Å; R563-L567 WeakPolarHBondContact O-CG 3.46Å; R563-L567 PolarHBondContact O-N 2.97Å; R563-L826 HydrophobicContact CG-CD1 3.95Å; R563-L826 HydrophobicContact CG-CD2 4.25Å; R563-L826 HydrophobicContact CG-CG 4.05Å; R563-L826 PolarHBondContact NE-O 3.33Å; R563-L826 PolarHBondContact NH2-O 3.19Å; R563-S829 VanDerWaalsContact CZ-O 3.31Å; R563-S829 PolarHBondContact NH1-O 3.49Å; R563-S829 VanDerWaalsContact NH1-O 3.15Å; R563-S829 PolarHBondContact NH2-O 2.87Å; R563-S830 VanDerWaalsContact NH1-CA 3.34Å; R563-S830 PolarHBondContact NH1-O 3.29Å
564	M	91.5	Very high	89.3	Confident	3 Å²	3	37 Å²	37	2%	0.015	20%	0.197	C	C	.	.	H	α-helix	trans	-62.8	-38.1	178.6	-71.2	-57.5	-64.3	0	0	112.2	L543 F544 Q546 F560 R561 L567 G568 P640	L543-M564 HydrophobicContact CB-CE 3.6Å; L543-M564 HydrophobicContact CD1-CE 4.46Å; F544-M564 HydrophobicContact CD2-CE 3.63Å; F544-M564 HydrophobicContact CD2-SD 4.45Å; F544-M564 HydrophobicContact CE2-CE 4.26Å; Q546-M564 HydrophobicContact CB-CE 4.43Å; Q546-M564 HydrophobicContact CB-SD 3.54Å; Q546-M564 VanDerWaalsContact CB-SD 3.54Å; Q546-M564 HydrophobicContact CG-SD 3.83Å; F560-M564 HydrophobicContact CD1-CG 4.2Å; F560-M564 HydrophobicContact CE1-CG 3.72Å; F560-M564 HydrophobicContact CE2-CG 4.34Å; F560-M564 HydrophobicContact CZ-CG 3.79Å; F560-M564 HydrophobicContact CZ-SD 4.09Å; F560-M564 WeakPolarHBondContact O-CG 3.15Å; F560-M564 PolarHBondContact O-N 3.1Å; R561-M564 PolarHBondContact O-N 2.97Å; R561-M564 VanDerWaalsContact O-N 3.16Å; M564-L567 PolarHBondContact O-N 3.49Å; M564-L567 HydrophobicContact SD-CD1 4.3Å; M564-G568 PolarHBondContact O-N 3.45Å; M564-P640 WeakPolarHBondContact CB-O 3.44Å
565	F	92.5	Very high	88.9	Confident	8 Å²	8	30 Å²	30	4%	0.035	17%	0.165	C	C	.	.	H	α-helix	trans	-62.4	-48.6	174.7	-177.8	-104.4	0	0	0	111.1	Y317 I320 V321 R561 G562 R563 G568 L569 V638 I646	Y317-F565 HydrophobicContact CD1-CE1 4.31Å; Y317-F565 HydrophobicContact CD1-CZ 4.24Å; I320-F565 HydrophobicContact CG2-CE1 4.09Å; I320-F565 HydrophobicContact CG2-CE2 4.33Å; I320-F565 HydrophobicContact CG2-CZ 3.91Å; V321-F565 HydrophobicContact CG2-CB 4.42Å; V321-F565 HydrophobicContact CG2-CD1 4.26Å; V321-F565 HydrophobicContact CG2-CG 4.39Å; R561-F565 VanDerWaalsContact O-CB 3.31Å; R561-F565 WeakPolarHBondContact O-CB 3.48Å; R561-F565 PolarHBondContact O-N 3.37Å; G562-F565 PolarHBondContact O-N 3.29Å; R563-F565 VanDerWaalsContact C-N 3.3Å; R563-F565 PolarHBondContact O-N 3.48Å; F565-G568 PolarHBondContact O-N 3.24Å; F565-L569 HydrophobicContact CD1-CD1 3.7Å; F565-L569 HydrophobicContact CE1-CD1 3.29Å; F565-L569 HydrophobicContact CE1-CG 4.3Å; F565-L569 HydrophobicContact CE2-CD1 4.35Å; F565-L569 HydrophobicContact CG-CD1 4.39Å; F565-L569 HydrophobicContact CZ-CD1 3.65Å; F565-L569 HydrophobicContact CZ-CG 4.33Å; F565-L569 VanDerWaalsContact O-CG 3.3Å; F565-L569 WeakPolarHBondContact O-CG 3.45Å; F565-L569 PolarHBondContact O-N 2.84Å; F565-V638 HydrophobicContact CD2-CB 3.98Å; F565-V638 HydrophobicContact CD2-CG1 3.42Å; F565-V638 VanDerWaalsContact CD2-CG1 3.42Å; F565-V638 HydrophobicContact CE2-CB 3.92Å; F565-V638 HydrophobicContact CE2-CG1 3.79Å; F565-V638 HydrophobicContact CE2-CG2 4.19Å; F565-V638 HydrophobicContact CG-CG1 4.28Å; F565-I646 HydrophobicContact CD2-CD1 3.84Å; F565-I646 HydrophobicContact CE2-CD1 3.93Å
566	V	92.2	Very high	88.6	Confident	62 Å²	62	27.3 Å²	27.3	38%	0.376	15%	0.153	S	C	.	.	H	α-helix	trans	-63.4	-43.3	176.1	172.2	0	0	0	0	111.6	G562 R563 G568 L569 L570 L826	G562-V566 WeakPolarHBondContact O-CG2 3.1Å; G562-V566 PolarHBondContact O-N 3.38Å; R563-V566 PolarHBondContact O-N 2.95Å; V566-G568 VanDerWaalsContact C-N 3.34Å; V566-G568 PolarHBondContact O-N 2.65Å; V566-L569 PolarHBondContact O-N 3.49Å; V566-L570 HydrophobicContact CG1-CD1 3.76Å; V566-L570 HydrophobicContact CG1-CG 4.19Å; V566-L570 WeakPolarHBondContact O-CB 3.38Å; V566-L570 VanDerWaalsContact O-CG 3.31Å; V566-L570 WeakPolarHBondContact O-CG 3.41Å; V566-L570 PolarHBondContact O-N 3.45Å; V566-L826 HydrophobicContact CB-CD2 4.37Å; V566-L826 HydrophobicContact CG1-CD2 3.91Å
567	L	91.4	Very high	88.5	Confident	2 Å²	2	24.7 Å²	24.7	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	-59.6	-45.5	174.7	-79.8	171.8	0	0	0	111.4	F544 Q546 R563 M564 L570 S571 L826	F544-L567 HydrophobicContact CB-CD1 4.2Å; F544-L567 HydrophobicContact CD2-CB 3.87Å; F544-L567 HydrophobicContact CD2-CD1 4.45Å; F544-L567 HydrophobicContact CE2-CB 4.16Å; F544-L567 HydrophobicContact CG-CB 4.28Å; Q546-L567 HydrophobicContact CG-CD1 4.18Å; R563-L567 HydrophobicContact CG-CD1 3.99Å; R563-L567 HydrophobicContact CG-CG 4.44Å; R563-L567 WeakPolarHBondContact O-CB 3.12Å; R563-L567 WeakPolarHBondContact O-CG 3.46Å; R563-L567 PolarHBondContact O-N 2.97Å; M564-L567 PolarHBondContact O-N 3.49Å; M564-L567 HydrophobicContact SD-CD1 4.3Å; L567-L570 PolarHBondContact O-N 3.14Å; L567-S571 WeakPolarHBondContact O-CB 3.49Å; L567-S571 PolarHBondContact O-N 3.16Å; L567-S571 PolarHBondContact O-OG 3.15Å; L567-L826 HydrophobicContact CD1-CD2 4.49Å; L567-L826 HydrophobicContact CD1-CG 4.26Å; L567-L826 HydrophobicContact CD2-CB 3.72Å; L567-L826 HydrophobicContact CD2-CD2 3.7Å; L567-L826 HydrophobicContact CD2-CG 3.69Å; L567-L826 HydrophobicContact CG-CB 4.42Å; L567-L826 HydrophobicContact CG-CD2 3.61Å; L567-L826 HydrophobicContact CG-CG 3.82Å
568	G	91.6	Very high	88.3	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-56.8	-51.6	175.3	0	0	0	0	0	111.7	M564 F565 V566 S571 Q572	M564-G568 PolarHBondContact O-N 3.45Å; F565-G568 PolarHBondContact O-N 3.24Å; V566-G568 VanDerWaalsContact C-N 3.34Å; V566-G568 PolarHBondContact O-N 2.65Å; G568-S571 WeakPolarHBondContact CA-OG 3.26Å; G568-S571 PolarHBondContact O-N 3.37Å; G568-S571 PolarHBondContact O-OG 2.95Å; G568-Q572 WeakPolarHBondContact O-CG 3.39Å; G568-Q572 PolarHBondContact O-N 3.45Å
569	L	92.1	Very high	88.3	Confident	13 Å²	13	24.7 Å²	24.7	7%	0.068	15%	0.145	C	C	.	.	H	α-helix	trans	-62.1	-45.9	179	-68.7	172	0	0	0	112.8	F565 V566 S571 Q572 A573 V638 F774 L778	F565-L569 HydrophobicContact CD1-CD1 3.7Å; F565-L569 HydrophobicContact CE1-CD1 3.29Å; F565-L569 HydrophobicContact CE1-CG 4.3Å; F565-L569 HydrophobicContact CE2-CD1 4.35Å; F565-L569 HydrophobicContact CG-CD1 4.39Å; F565-L569 HydrophobicContact CZ-CD1 3.65Å; F565-L569 HydrophobicContact CZ-CG 4.33Å; F565-L569 VanDerWaalsContact O-CG 3.3Å; F565-L569 WeakPolarHBondContact O-CG 3.45Å; F565-L569 PolarHBondContact O-N 2.84Å; V566-L569 PolarHBondContact O-N 3.49Å; L569-S571 VanDerWaalsContact C-N 3.31Å; L569-S571 PolarHBondContact O-N 2.85Å; L569-Q572 PolarHBondContact O-N 3.33Å; L569-A573 VanDerWaalsContact O-CB 3.23Å; L569-A573 WeakPolarHBondContact O-CB 3.48Å; L569-A573 PolarHBondContact O-N 2.94Å; L569-V638 HydrophobicContact CD2-CG2 3.89Å; L569-F774 HydrophobicContact CD2-CD1 3.56Å; L569-F774 HydrophobicContact CD2-CE1 3.47Å; L569-F774 VanDerWaalsContact CD2-CE1 3.47Å; L569-L778 HydrophobicContact CD1-CD2 3.69Å; L569-L778 HydrophobicContact CD2-CD2 4.43Å
570	L	90.9	Very high	88.5	Confident	14 Å²	14	19.9 Å²	19.9	7%	0.073	12%	0.116	C	C	.	.	H	α-helix	trans	-64.8	-38.7	178.2	-71.9	175.6	0	0	0	111.4	V566 L567 Q572 A573 V574 V779 M819 V822 Q823	V566-L570 HydrophobicContact CG1-CD1 3.76Å; V566-L570 HydrophobicContact CG1-CG 4.19Å; V566-L570 WeakPolarHBondContact O-CB 3.38Å; V566-L570 VanDerWaalsContact O-CG 3.31Å; V566-L570 WeakPolarHBondContact O-CG 3.41Å; V566-L570 PolarHBondContact O-N 3.45Å; L567-L570 PolarHBondContact O-N 3.14Å; L570-Q572 VanDerWaalsContact C-N 3.33Å; L570-Q572 PolarHBondContact O-N 3.38Å; L570-A573 PolarHBondContact O-N 2.78Å; L570-V574 WeakPolarHBondContact O-CB 3.43Å; L570-V574 WeakPolarHBondContact O-CG2 3.31Å; L570-V574 PolarHBondContact O-N 2.84Å; L570-V779 HydrophobicContact CD2-CG2 4.5Å; L570-M819 HydrophobicContact CD2-CB 4.04Å; L570-M819 HydrophobicContact CD2-CE 4.43Å; L570-M819 HydrophobicContact CD2-CG 4Å; L570-V822 HydrophobicContact CD1-CB 4.26Å; L570-V822 HydrophobicContact CD1-CG1 3.65Å; L570-Q823 HydrophobicContact CB-CB 4.2Å; L570-Q823 HydrophobicContact CB-CG 4.41Å; L570-Q823 HydrophobicContact CD1-CB 4.4Å
571	S	89.2	Confident	88.7	Confident	6 Å²	6	18.3 Å²	18.3	4%	0.042	11%	0.109	C	C	.	.	H	α-helix	trans	-71.3	-25.8	178.8	71.9	0	0	0	0	114.1	N515 F544 L567 G568 L569	N515-S571 WeakPolarHBondContact ND2-CB 3.44Å; N515-S571 PolarHBondContact ND2-OG 2.67Å; F544-S571 WeakPolarHBondContact CE1-OG 3.38Å; F544-S571 VanDerWaalsContact CZ-OG 3.26Å; F544-S571 WeakPolarHBondContact CZ-OG 3.33Å; L567-S571 WeakPolarHBondContact O-CB 3.49Å; L567-S571 PolarHBondContact O-N 3.16Å; L567-S571 PolarHBondContact O-OG 3.15Å; G568-S571 WeakPolarHBondContact CA-OG 3.26Å; G568-S571 PolarHBondContact O-N 3.37Å; G568-S571 PolarHBondContact O-OG 2.95Å; L569-S571 VanDerWaalsContact C-N 3.31Å; L569-S571 PolarHBondContact O-N 2.85Å
572	Q	89.7	Confident	88.8	Confident	7 Å²	7	18.2 Å²	18.2	3%	0.033	11%	0.109	C	C	.	.	H	α-helix	trans	-76.4	-40	168.8	-71.8	170.8	15	0	0	111	L521 G568 L569 L570 Y637 N773	L521-Q572 HydrophobicContact CD2-CG 4.06Å; G568-Q572 WeakPolarHBondContact O-CG 3.39Å; G568-Q572 PolarHBondContact O-N 3.45Å; L569-Q572 PolarHBondContact O-N 3.33Å; L570-Q572 VanDerWaalsContact C-N 3.33Å; L570-Q572 PolarHBondContact O-N 3.38Å; Q572-Y637 PolarHBondContact NE2-O 3.45Å; Q572-Y637 VanDerWaalsContact NE2-O 3.15Å; Q572-N773 PolarHBondContact O-ND2 3.29Å; Q572-N773 PolarHBondContact O-OD1 2.9Å
573	A	88.6	Confident	88.8	Confident	4 Å²	4	17.3 Å²	17.3	3%	0.033	10%	0.1	C	C	.	.	H	α-helix	trans	-72	-39.4	-176.3	0	0	0	0	0	112.7	L569 L570 S575 G775 L776 M819	L569-A573 VanDerWaalsContact O-CB 3.23Å; L569-A573 WeakPolarHBondContact O-CB 3.48Å; L569-A573 PolarHBondContact O-N 2.94Å; L570-A573 PolarHBondContact O-N 2.78Å; A573-S575 PolarHBondContact O-N 2.94Å; A573-G775 VanDerWaalsContact CB-C 3.41Å; A573-L776 HydrophobicContact CB-CB 4.17Å; A573-L776 HydrophobicContact CB-CD1 4.41Å; A573-L776 VanDerWaalsContact CB-N 3.33Å; A573-M819 HydrophobicContact CB-CE 3.18Å
574	V	82.8	Confident	88.9	Confident	9 Å²	9	15.6 Å²	15.6	6%	0.055	9%	0.093	C	C	.	.	S	Bend	trans	-90.2	90.8	173.3	-174.1	0	0	0	0	108	L570 V576 M819 R820	L570-V574 WeakPolarHBondContact O-CB 3.43Å; L570-V574 WeakPolarHBondContact O-CG2 3.31Å; L570-V574 PolarHBondContact O-N 2.84Å; V574-V576 HydrophobicContact CG1-CG2 3.56Å; V574-V576 PolarHBondContact O-N 2.86Å; V574-V576 VanDerWaalsContact O-N 3.11Å; V574-M819 HydrophobicContact CG2-CB 3.72Å; V574-M819 HydrophobicContact CG2-CE 4.31Å; V574-R820 HydrophobicContact CB-CG 4.48Å; V574-R820 HydrophobicContact CG1-CG 3.43Å; V574-R820 VanDerWaalsContact CG1-CG 3.43Å; V574-R820 HydrophobicContact CG2-CG 4.15Å
575	S	74.1	Confident	88.7	Confident	6 Å²	6	15.8 Å²	15.8	4%	0.042	10%	0.096	C	C	.	.			trans	-69	104.9	167.4	-52.4	0	0	0	0	108.7	N518 A573 D865 S867	N518-S575 PolarHBondContact N-OG 2.8Å; N518-S575 VanDerWaalsContact N-OG 3.15Å; A573-S575 PolarHBondContact O-N 2.94Å; S575-D865 WeakPolarHBondContact CB-OD1 3.46Å; S575-S867 WeakPolarHBondContact CB-OG 3.3Å
576	V	81.6	Confident	88.4	Confident	62 Å²	62	18.5 Å²	18.5	38%	0.376	11%	0.109	S	C	.	.			trans	-120.1	129.3	166.2	-177	0	0	0	0	108.5	V574 T578	V574-V576 HydrophobicContact CG1-CG2 3.56Å; V574-V576 PolarHBondContact O-N 2.86Å; V574-V576 VanDerWaalsContact O-N 3.11Å; V576-T578 HydrophobicContact CB-CG2 4.49Å; V576-T578 HydrophobicContact CG1-CG2 4.46Å; V576-T578 PolarHBondContact O-N 2.91Å
577	P	83.7	Confident	88.3	Confident	29 Å²	29	17 Å²	17	19%	0.188	10%	0.098	C	C	.	.			trans	-72.1	88.8	175.5	29.7	-34	0	0	0	110.2	L517 T582 Y863	L517-P577 HydrophobicContact CD2-CB 4.32Å; P577-T582 WeakPolarHBondContact CA-OG1 3.39Å; P577-Y863 HydrophobicContact CB-CD2 4.02Å; P577-Y863 HydrophobicContact CB-CE2 3.68Å; P577-Y863 HydrophobicContact CG-CD2 3.94Å; P577-Y863 HydrophobicContact CG-CE2 3.54Å
578	T	82.8	Confident	88.1	Confident	87 Å²	87	19.1 Å²	19.1	53%	0.534	12%	0.12	S	C	.	.			trans	-80.7	-49.2	-176	50.7	0	0	0	0	113	V576 H581 T582	V576-T578 HydrophobicContact CB-CG2 4.49Å; V576-T578 HydrophobicContact CG1-CG2 4.46Å; V576-T578 PolarHBondContact O-N 2.91Å; T578-H581 PolarHBondContact OG1-CE1 3.34Å; T578-T582 VanDerWaalsContact OG1-CG2 3.26Å; T578-T582 WeakPolarHBondContact OG1-CG2 3.24Å
579	D	89.5	Confident	88.2	Confident	5 Å²	5	19.3 Å²	19.3	3%	0.027	12%	0.12	C	C	.	.	S	Bend	trans	-150.9	-177.4	-176	-146.4	-32.1	0	0	0	110.2	S462 N498 R500 H581 T582	S462-D579 WeakPolarHBondContact CB-OD1 3.44Å; S462-D579 PolarHBondContact OG-OD1 3.31Å; N498-D579 PolarHBondContact ND2-OD1 2.97Å; N498-D579 PolarHBondContact ND2-OD2 3.35Å; R500-D579 IonicContact NH1-OD2 3.85Å; R500-D579 PolarHBondContact NH1-OD2 3.39Å; D579-H581 PolarHBondContact O-N 3.34Å; D579-T582 PolarHBondContact O-N 2.94Å; D579-T582 VanDerWaalsContact O-N 3.07Å; D579-T582 PolarHBondContact O-OG1 2.86Å
580	V	92.5	Very high	88.3	Confident	1 Å²	1	19.7 Å²	19.7	1%	0.006	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-41.1	-176.6	173.2	0	0	0	0	113.3	M466 N498 T582 V583 C584	M466-V580 HydrophobicContact CB-CG1 3.98Å; M466-V580 HydrophobicContact CB-CG2 4.4Å; M466-V580 HydrophobicContact CE-CB 4.48Å; M466-V580 HydrophobicContact CE-CG1 3.21Å; M466-V580 HydrophobicContact CG-CG1 3.74Å; M466-V580 HydrophobicContact SD-CG1 4.25Å; N498-V580 HydrophobicContact CB-CB 4.03Å; N498-V580 HydrophobicContact CB-CG2 4.49Å; V580-T582 PolarHBondContact O-N 3.24Å; V580-T582 VanDerWaalsContact O-N 3.17Å; V580-V583 PolarHBondContact O-N 3.17Å; V580-C584 PolarHBondContact O-SG 3.38Å; V580-C584 VanDerWaalsContact O-SG 3.36Å
581	H	93.4	Very high	88.5	Confident	7 Å²	7	19.3 Å²	19.3	3%	0.032	12%	0.121	C	C	.	.	H	α-helix	trans	-61.9	-26.1	-175.2	73	-76.8	0	0	0	113.9	E513 N515 T578 D579 V583 A591 S593	E513-H581 IonicContact OE2-CE1 2.61Å; N515-H581 PolarHBondContact O-CD2 3.07Å; N515-H581 PolarHBondContact O-NE2 3.25Å; T578-H581 PolarHBondContact OG1-CE1 3.34Å; D579-H581 PolarHBondContact O-N 3.34Å; H581-V583 VanDerWaalsContact C-N 3.27Å; H581-V583 PolarHBondContact O-N 3.38Å; H581-A591 HydrophobicContact CB-CB 3.82Å; H581-S593 WeakPolarHBondContact CB-OG 3.5Å; H581-S593 WeakPolarHBondContact ND1-CB 3.3Å; H581-S593 PolarHBondContact ND1-OG 3.35Å
582	T	92	Very high	88.9	Confident	3 Å²	3	19 Å²	19	2%	0.018	12%	0.119	C	C	.	.	H	α-helix	trans	-69.7	-29.5	-175.8	64.5	0	0	0	0	112.3	S516 L517 P577 T578 D579 V580	S516-T582 PolarHBondContact OG-O 3.22Å; L517-T582 VanDerWaalsContact CG-O 3.27Å; L517-T582 WeakPolarHBondContact CG-O 3.12Å; L517-T582 PolarHBondContact N-O 3.29Å; P577-T582 WeakPolarHBondContact CA-OG1 3.39Å; T578-T582 VanDerWaalsContact OG1-CG2 3.26Å; T578-T582 WeakPolarHBondContact OG1-CG2 3.24Å; D579-T582 PolarHBondContact O-N 2.94Å; D579-T582 VanDerWaalsContact O-N 3.07Å; D579-T582 PolarHBondContact O-OG1 2.86Å; V580-T582 PolarHBondContact O-N 3.24Å; V580-T582 VanDerWaalsContact O-N 3.17Å
583	V	92.3	Very high	89.2	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-89.9	-32.1	-174.5	-178.5	0	0	0	0	111.6	M467 L517 V580 H581 G585 Q586 F587 Y863	M467-V583 HydrophobicContact CB-CG1 3.83Å; M467-V583 HydrophobicContact CG-CG1 4.25Å; M467-V583 HydrophobicContact SD-CG1 3.49Å; M467-V583 WeakPolarHBondContact SD-CG1 3.46Å; L517-V583 HydrophobicContact CD1-CG2 4.48Å; V580-V583 PolarHBondContact O-N 3.17Å; H581-V583 VanDerWaalsContact C-N 3.27Å; H581-V583 PolarHBondContact O-N 3.38Å; V583-G585 VanDerWaalsContact C-N 3.27Å; V583-G585 PolarHBondContact O-N 2.86Å; V583-Q586 VanDerWaalsContact O-CG 3.28Å; V583-Q586 WeakPolarHBondContact O-CG 3.42Å; V583-Q586 PolarHBondContact O-N 3.15Å; V583-F587 HydrophobicContact CG1-CE2 4.14Å; V583-Y863 HydrophobicContact CG1-CD1 4.37Å; V583-Y863 HydrophobicContact CG2-CD1 3.71Å; V583-Y863 HydrophobicContact CG2-CE1 3.73Å
584	C	92.3	Very high	89.6	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-58.5	-33.8	-175.2	-69.4	0	0	0	0	114.2	V580 Q586 F587 I589 A591	V580-C584 PolarHBondContact O-SG 3.38Å; V580-C584 VanDerWaalsContact O-SG 3.36Å; C584-Q586 VanDerWaalsContact C-N 3.28Å; C584-Q586 PolarHBondContact O-N 2.95Å; C584-F587 PolarHBondContact O-N 3.48Å; C584-F587 VanDerWaalsContact O-N 3.11Å; C584-I589 CarbonylContact C-O 3.56Å; C584-I589 HydrophobicContact CB-CB 4.02Å; C584-I589 HydrophobicContact CB-CG2 4.12Å; C584-I589 PolarHBondContact O-N 2.93Å; C584-A591 HydrophobicContact CB-CB 3.43Å; C584-A591 VanDerWaalsContact CB-CB 3.43Å
585	G	86.8	Confident	90.1	Very high	7 Å²	7	18.8 Å²	18.8	7%	0.072	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-59.6	-35.1	-173.7	0	0	0	0	0	113.9	S516 Q520 V583 F587 G588	S516-G585 WeakPolarHBondContact OG-CA 3.33Å; Q520-G585 PolarHBondContact NE2-O 3.41Å; Q520-G585 PolarHBondContact OE1-O 3.11Å; V583-G585 VanDerWaalsContact C-N 3.27Å; V583-G585 PolarHBondContact O-N 2.86Å; G585-F587 PolarHBondContact O-N 3.49Å; G585-G588 PolarHBondContact O-N 3.23Å
586	Q	86.7	Confident	91.1	Very high	65 Å²	65	19.1 Å²	19.1	30%	0.304	12%	0.12	S	C	.	.	G	3₁₀ helix	trans	-68.1	-20.2	-178.8	78.4	-161.7	-0.3	0	0	113.4	M467 V583 C584 G588 Y863	M467-Q586 PolarHBondContact SD-NE2 3.1Å; V583-Q586 VanDerWaalsContact O-CG 3.28Å; V583-Q586 WeakPolarHBondContact O-CG 3.42Å; V583-Q586 PolarHBondContact O-N 3.15Å; C584-Q586 VanDerWaalsContact C-N 3.28Å; C584-Q586 PolarHBondContact O-N 2.95Å; Q586-G588 VanDerWaalsContact C-N 3.33Å; Q586-Y863 PolarHBondContact OE1-O 2.72Å; Q586-Y863 VanDerWaalsContact OE1-O 3.07Å
587	F	90.3	Very high	91.6	Very high	31 Å²	31	18.2 Å²	18.2	14%	0.136	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-93	7.9	174.8	-60.6	-83.4	0	0	0	112.4	M467 L470 H474 F475 V583 C584 G585 I589	M467-F587 HydrophobicContact CE-CZ 4.08Å; M467-F587 HydrophobicContact SD-CE2 3.9Å; M467-F587 HydrophobicContact SD-CZ 3.91Å; L470-F587 HydrophobicContact CB-CD1 4.31Å; L470-F587 HydrophobicContact CB-CD2 3.78Å; L470-F587 HydrophobicContact CB-CE1 4Å; L470-F587 HydrophobicContact CB-CE2 3.41Å; L470-F587 VanDerWaalsContact CB-CE2 3.41Å; L470-F587 HydrophobicContact CB-CG 4.2Å; L470-F587 HydrophobicContact CB-CZ 3.55Å; L470-F587 HydrophobicContact CD1-CD2 3.5Å; L470-F587 VanDerWaalsContact CD1-CD2 3.5Å; L470-F587 HydrophobicContact CD1-CE2 3.73Å; L470-F587 HydrophobicContact CD1-CG 4.27Å; L470-F587 HydrophobicContact CG-CD2 4.22Å; L470-F587 HydrophobicContact CG-CE2 4.21Å; H474-F587 HydrophobicContact CB-CD1 4.28Å; H474-F587 HydrophobicContact CB-CE1 4.45Å; H474-F587 AromaticContact CD2-CD1 3.62Å; F475-F587 HydrophobicContact CD2-CE1 4.15Å; F475-F587 HydrophobicContact CE2-CD1 4.05Å; F475-F587 AromaticContact CE2-CE1 3.55Å; F475-F587 HydrophobicContact CE2-CE1 3.55Å; F475-F587 HydrophobicContact CZ-CD1 4.45Å; F475-F587 HydrophobicContact CZ-CE1 4.38Å; V583-F587 HydrophobicContact CG1-CE2 4.14Å; C584-F587 PolarHBondContact O-N 3.48Å; C584-F587 VanDerWaalsContact O-N 3.11Å; G585-F587 PolarHBondContact O-N 3.49Å; F587-I589 VanDerWaalsContact C-N 3.29Å; F587-I589 HydrophobicContact CB-CD1 3.93Å; F587-I589 HydrophobicContact CB-CG1 4.21Å; F587-I589 PolarHBondContact O-N 3.47Å
588	G	88.1	Confident	91.8	Very high	46 Å²	46	18.5 Å²	18.5	47%	0.474	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	19.2	-175.9	0	0	0	0	0	114	G585 Q586	G585-G588 PolarHBondContact O-N 3.23Å; Q586-G588 VanDerWaalsContact C-N 3.33Å
589	I	93.2	Very high	91.6	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.015	11%	0.111	C	C	.	.			trans	-96.7	124.9	179.3	-58.7	163.9	0	0	0	109.1	L470 I493 A496 C584 F587 A591	L470-I589 HydrophobicContact CD1-CD1 4.06Å; L470-I589 HydrophobicContact CD2-CD1 3.57Å; I493-I589 HydrophobicContact CB-CD1 3.85Å; I493-I589 HydrophobicContact CB-CG1 4.05Å; I493-I589 HydrophobicContact CD1-CD1 4.22Å; I493-I589 HydrophobicContact CG2-CB 4.48Å; I493-I589 HydrophobicContact CG2-CD1 3.64Å; I493-I589 HydrophobicContact CG2-CG1 3.84Å; I493-I589 HydrophobicContact CG2-CG2 3.8Å; A496-I589 HydrophobicContact CB-CG2 3.87Å; C584-I589 CarbonylContact C-O 3.56Å; C584-I589 HydrophobicContact CB-CB 4.02Å; C584-I589 HydrophobicContact CB-CG2 4.12Å; C584-I589 PolarHBondContact O-N 2.93Å; F587-I589 VanDerWaalsContact C-N 3.29Å; F587-I589 HydrophobicContact CB-CD1 3.93Å; F587-I589 HydrophobicContact CB-CG1 4.21Å; F587-I589 PolarHBondContact O-N 3.47Å; I589-A591 PolarHBondContact O-N 3.34Å
590	H	94.2	Very high	90.6	Very high	21 Å²	21	22.1 Å²	22.1	10%	0.097	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	116	176.8	-58.5	-65.7	0	0	0	109.9	E494 V495 A496 P522 N523 L526 L630 F635	E494-H590 PolarHBondContact O-N 3.38Å; E494-H590 VanDerWaalsContact O-N 3.11Å; V495-H590 CarbonylContact C-O 3.59Å; V495-H590 WeakPolarHBondContact CA-O 3.47Å; A496-H590 PolarHBondContact N-O 3.01Å; P522-H590 HydrophobicContact CB-CB 4.3Å; N523-H590 PolarHBondContact N-ND1 3.04Å; L526-H590 HydrophobicContact CD2-CB 3.66Å; H590-L630 PolarHBondContact NE2-O 3.17Å; H590-F635 AromaticContact CE1-CE1 3.59Å
591	A	95.3	Very high	89.2	Confident	7 Å²	7	32.6 Å²	32.6	6%	0.058	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	146.2	-172.8	0	0	0	0	0	114.2	A496 H581 C584 I589	A496-A591 HydrophobicContact CB-CB 3.9Å; A496-A591 CarbonylContact O-C 3.56Å; A496-A591 WeakPolarHBondContact O-CA 3.49Å; H581-A591 HydrophobicContact CB-CB 3.82Å; C584-A591 HydrophobicContact CB-CB 3.43Å; C584-A591 VanDerWaalsContact CB-CB 3.43Å; I589-A591 PolarHBondContact O-N 3.34Å
592	L	96.6	Very high	87.5	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	138.9	172.9	-63.3	-178.8	0	0	0	110.3	A496 L497 N498 I512 P522 L526 I527 A530 L594 M619	A496-L592 PolarHBondContact O-N 3.34Å; L497-L592 WeakPolarHBondContact CA-O 3.12Å; L497-L592 HydrophobicContact CD2-CB 4.16Å; N498-L592 PolarHBondContact N-O 2.86Å; I512-L592 HydrophobicContact CG2-CD1 4.37Å; I512-L592 HydrophobicContact CG2-CD2 4.08Å; P522-L592 HydrophobicContact CG-CD2 4.08Å; L526-L592 HydrophobicContact CD1-CD1 4.44Å; L526-L592 HydrophobicContact CD2-CD1 4.19Å; L526-L592 HydrophobicContact CD2-CG 3.92Å; L526-L592 HydrophobicContact CG-CD1 3.7Å; L526-L592 HydrophobicContact CG-CG 4.01Å; I527-L592 HydrophobicContact CG1-CD2 3.88Å; A530-L592 HydrophobicContact CB-CD1 4.01Å; L592-L594 HydrophobicContact CB-CD2 4.45Å; L592-M619 HydrophobicContact CD1-CE 4.25Å
593	S	95.9	Very high	85.7	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.014	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	126.6	164.9	-61.8	0	0	0	0	110.1	N498 E513 H581	N498-S593 WeakPolarHBondContact CB-OG 3.48Å; N498-S593 PolarHBondContact ND2-OG 3.23Å; N498-S593 CarbonylContact O-C 3.58Å; N498-S593 WeakPolarHBondContact O-CA 3.21Å; E513-S593 PolarHBondContact N-O 2.78Å; E513-S593 PolarHBondContact O-N 2.92Å; H581-S593 WeakPolarHBondContact CB-OG 3.5Å; H581-S593 WeakPolarHBondContact ND1-CB 3.3Å; H581-S593 PolarHBondContact ND1-OG 3.35Å
594	L	97.2	Very high	84.1	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	104.9	-176.8	-58.9	-175.9	0	0	0	109	N498 R500 V510 N511 I512 M534 L592 F612 L616 M619	N498-L594 PolarHBondContact O-N 3.24Å; R500-L594 PolarHBondContact N-O 3.05Å; V510-L594 HydrophobicContact CG1-CB 4.06Å; N511-L594 WeakPolarHBondContact O-CA 3.16Å; I512-L594 HydrophobicContact CB-CD2 4.34Å; I512-L594 HydrophobicContact CG1-CD2 3.85Å; I512-L594 HydrophobicContact CG2-CD2 4.25Å; M534-L594 HydrophobicContact CE-CD1 4.23Å; M534-L594 HydrophobicContact CE-CD2 3.69Å; L592-L594 HydrophobicContact CB-CD2 4.45Å; L594-F612 HydrophobicContact CB-CE2 4.27Å; L594-F612 HydrophobicContact CB-CZ 4.13Å; L594-F612 HydrophobicContact CD1-CE2 4.43Å; L594-L616 HydrophobicContact CD1-CD2 3.77Å; L594-M619 HydrophobicContact CD1-CE 4.3Å; L594-M619 HydrophobicContact CD1-SD 3.94Å
595	S	94.6	Very high	82.5	Confident	13 Å²	13	54.8 Å²	54.8	9%	0.091	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	111.7	-179.9	48.2	0	0	0	0	111	R500 N511 E513	R500-S595 CarbonylContact O-C 3.59Å; R500-S595 WeakPolarHBondContact O-CA 3.47Å; N511-S595 WeakPolarHBondContact CB-OG 3.36Å; N511-S595 PolarHBondContact N-O 3.13Å; N511-S595 PolarHBondContact ND2-OG 2.78Å; N511-S595 PolarHBondContact O-N 3.46Å; E513-S595 PolarHBondContact OE1-OG 3.41Å
596	T	94.1	Very high	81.5	Confident	13 Å²	13	58.9 Å²	58.9	8%	0.08	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	141.7	179.9	74.1	0	0	0	0	111.2	R500 T501 P507 H509 V510 F612	R500-T596 PolarHBondContact O-N 2.85Å; R500-T596 PolarHBondContact O-OG1 3.25Å; T501-T596 VanDerWaalsContact CA-OG1 3.27Å; T501-T596 WeakPolarHBondContact CA-OG1 3.2Å; T501-T596 WeakPolarHBondContact CB-OG1 3.48Å; T501-T596 PolarHBondContact OG1-OG1 2.69Å; P507-T596 HydrophobicContact CB-CG2 4.47Å; H509-T596 WeakPolarHBondContact O-CA 3.43Å; V510-T596 HydrophobicContact CG1-CG2 4.48Å; V510-T596 HydrophobicContact CG2-CG2 4.14Å; T596-F612 HydrophobicContact CG2-CD1 3.5Å; T596-F612 VanDerWaalsContact CG2-CD1 3.5Å; T596-F612 HydrophobicContact CG2-CD2 3.75Å; T596-F612 HydrophobicContact CG2-CE1 3.34Å; T596-F612 HydrophobicContact CG2-CE2 3.62Å; T596-F612 HydrophobicContact CG2-CG 3.7Å; T596-F612 HydrophobicContact CG2-CZ 3.41Å; T596-F612 VanDerWaalsContact CG2-CZ 3.41Å
597	Y	92.1	Very high	81.3	Confident	43 Å²	43	59.4 Å²	59.4	17%	0.169	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	165.6	175.8	67.4	-77.8	0	0	0	111.5	T508 H509 N511 T542 M545 K599	T508-Y597 PolarHBondContact N-O 3.18Å; H509-Y597 HydrophobicContact CB-CD1 4.03Å; H509-Y597 HydrophobicContact CB-CD2 4.28Å; H509-Y597 HydrophobicContact CB-CE1 3.49Å; H509-Y597 VanDerWaalsContact CB-CE1 3.49Å; H509-Y597 HydrophobicContact CB-CE2 3.81Å; H509-Y597 HydrophobicContact CB-CG 4.38Å; H509-Y597 PolarHBondContact N-O 3.29Å; H509-Y597 PolarHBondContact O-N 2.96Å; H509-Y597 VanDerWaalsContact O-O 3.13Å; N511-Y597 HydrophobicContact CB-CD1 4.39Å; N511-Y597 HydrophobicContact CB-CE1 3.93Å; T542-Y597 WeakPolarHBondContact CG2-OH 3.32Å; T542-Y597 WeakPolarHBondContact OG1-CE1 3.21Å; T542-Y597 PolarHBondContact OG1-OH 3.17Å; M545-Y597 HydrophobicContact CE-CD1 4.26Å; M545-Y597 HydrophobicContact CE-CE1 4.5Å; M545-Y597 HydrophobicContact SD-CD1 3.74Å; M545-Y597 HydrophobicContact SD-CE1 3.49Å; M545-Y597 WeakPolarHBondContact SD-CE1 3.48Å; M545-Y597 HydrophobicContact SD-CE2 4.37Å; M545-Y597 HydrophobicContact SD-CG 4.32Å; Y597-K599 HydrophobicContact CD2-CG 4.15Å; Y597-K599 HydrophobicContact CE2-CD 4.16Å; Y597-K599 VanDerWaalsContact CE2-CE 3.42Å; Y597-K599 HydrophobicContact CE2-CG 3.66Å
598	S	88.6	Confident	81.2	Confident	35 Å²	35	58.2 Å²	58.2	25%	0.245	31%	0.309	C	S	.	.			trans	-120.3	123.7	178.6	-159.8	0	0	0	0	111.7	S505 P506 T508	S505-S598 WeakPolarHBondContact OG-CB 3.42Å; P506-S598 PolarHBondContact O-OG 2.83Å; T508-S598 PolarHBondContact OG1-OG 2.97Å
599	K	77.9	Confident	81.3	Confident	114 Å²	114	56 Å²	56	50%	0.496	29%	0.286	S	S	.	.			trans	-90.7	-22.9	172	-68.4	-163.2	-178.8	-172	0	112.8	T508 M545 Y597	T508-K599 PolarHBondContact OG1-N 2.89Å; M545-K599 PolarHBondContact O-NZ 3.11Å; Y597-K599 HydrophobicContact CD2-CG 4.15Å; Y597-K599 HydrophobicContact CE2-CD 4.16Å; Y597-K599 VanDerWaalsContact CE2-CE 3.42Å; Y597-K599 HydrophobicContact CE2-CG 3.66Å
600	S	69.6	Low	81.4	Confident	54 Å²	54	57.4 Å²	57.4	38%	0.378	29%	0.293	S	S	.	.			trans	-86.1	121.9	-176.8	177.4	0	0	0	0	110.1	R602	S600-R602 VanDerWaalsContact C-N 3.25Å; S600-R602 WeakPolarHBondContact OG-CB 3.2Å; S600-R602 PolarHBondContact OG-N 3.04Å; S600-R602 VanDerWaalsContact OG-N 3.09Å; S600-R602 PolarHBondContact OG-O 3.33Å
601	K	62	Low	81.3	Confident	220 Å²	220	57.7 Å²	57.7	96%	0.957	30%	0.297	S	S	*	.	S	Bend	trans	-69.6	-25.6	164.6	-69.8	-170.9	177.5	-175	0	112.3	S603	K601-S603 PolarHBondContact O-N 2.88Å
602	R	58.3	Low	81.3	Confident	217 Å²	217	57.3 Å²	57.3	82%	0.819	29%	0.294	S	S	*	.	S	Bend	trans	-67.4	135.7	175.3	-66.3	-177.3	176.8	169.1	-1.3	108	S600 S604	S600-R602 VanDerWaalsContact C-N 3.25Å; S600-R602 WeakPolarHBondContact OG-CB 3.2Å; S600-R602 PolarHBondContact OG-N 3.04Å; S600-R602 VanDerWaalsContact OG-N 3.09Å; S600-R602 PolarHBondContact OG-O 3.33Å; R602-S604 VanDerWaalsContact C-N 3.26Å; R602-S604 PolarHBondContact O-N 3.2Å
603	S	53.8	Low	81.2	Confident	104 Å²	104	57.3 Å²	57.3	73%	0.727	29%	0.294	S	S	*	.			trans	-49.5	93.9	169.6	-168.8	0	0	0	0	108.4	K601	K601-S603 PolarHBondContact O-N 2.88Å
604	S	58.2	Low	81.1	Confident	40 Å²	40	59.9 Å²	59.9	28%	0.28	31%	0.305	S	S	.	.			trans	-63.8	164.1	166.4	-173.8	0	0	0	0	107.4	T508 R602 N606	T508-S604 WeakPolarHBondContact CG2-OG 3.5Å; R602-S604 VanDerWaalsContact C-N 3.26Å; R602-S604 PolarHBondContact O-N 3.2Å; S604-N606 PolarHBondContact O-N 3.1Å; S604-N606 VanDerWaalsContact O-N 3.12Å
605	N	59	Low	81.1	Confident	115 Å²	115	59.9 Å²	59.9	62%	0.615	31%	0.305	S	S	*	.			trans	-47.6	124.6	173.1	-163.1	3.8	0	0	0	109.4	N607 G608	N605-N607 PolarHBondContact O-N 2.8Å; N605-G608 PolarHBondContact O-N 3.42Å
606	N	66.4	Low	81.1	Confident	94 Å²	94	59.3 Å²	59.3	50%	0.503	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-8.3	-173.6	-80	-7.2	0	0	0	113.2	Y349 S604 G608	Y349-N606 VanDerWaalsContact CE2-O 3.25Å; Y349-N606 WeakPolarHBondContact CE2-O 3.31Å; Y349-N606 PolarHBondContact OH-O 2.74Å; S604-N606 PolarHBondContact O-N 3.1Å; S604-N606 VanDerWaalsContact O-N 3.12Å; N606-G608 VanDerWaalsContact C-N 3.32Å; N606-G608 PolarHBondContact O-N 2.84Å
607	N	82.4	Confident	81.1	Confident	75 Å²	75	58.7 Å²	58.7	40%	0.401	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	7.1	-176.9	-62.5	-8.2	0	0	0	114.7	N605 H609 H610 S611	N605-N607 PolarHBondContact O-N 2.8Å; N607-H609 VanDerWaalsContact C-N 3.3Å; N607-H609 PolarHBondContact O-N 3.36Å; N607-H610 HydrophobicContact CB-CB 4.46Å; N607-H610 WeakPolarHBondContact O-CA 3.44Å; N607-H610 WeakPolarHBondContact O-CB 3.35Å; N607-H610 PolarHBondContact O-N 3.35Å; N607-S611 PolarHBondContact O-N 3.08Å
608	G	88.5	Confident	81.2	Confident	7 Å²	7	56.7 Å²	56.7	7%	0.072	29%	0.289	C	S	.	.	H	α-helix	trans	-52.2	-42.9	-178.9	0	0	0	0	0	114.2	N605 N606 S611 F612	N605-G608 PolarHBondContact O-N 3.42Å; N606-G608 VanDerWaalsContact C-N 3.32Å; N606-G608 PolarHBondContact O-N 2.84Å; G608-S611 WeakPolarHBondContact O-CB 3.47Å; G608-S611 PolarHBondContact O-N 2.79Å; G608-F612 PolarHBondContact O-N 3.15Å
609	H	90.6	Very high	81.5	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-69.4	-32.5	176.4	-65.7	-74	0	0	0	113.3	P348 Y349 T501 D502 F503 P507 N607 F612 A613	P348-H609 HydrophobicContact CG-CB 3.71Å; Y349-H609 PolarHBondContact OH-CD2 3.29Å; T501-H609 PolarHBondContact OG1-ND1 2.79Å; D502-H609 PolarHBondContact O-CE1 3.4Å; F503-H609 AromaticContact CD1-CD2 3.72Å; F503-H609 AromaticContact CD1-CE1 3.49Å; F503-H609 VanDerWaalsContact CD1-CE1 3.49Å; F503-H609 WeakPolarHBondContact CD1-CE1 3.45Å; F503-H609 AromaticContact CD1-CG 3.73Å; F503-H609 AromaticContact CD1-ND1 3.6Å; F503-H609 AromaticContact CD1-NE2 3.59Å; F503-H609 HydrophobicContact CE1-CB 4.12Å; F503-H609 AromaticContact CE1-CE1 3.96Å; F503-H609 AromaticContact CE1-CG 3.69Å; F503-H609 AromaticContact CE1-ND1 3.58Å; P507-H609 WeakPolarHBondContact CD-CE1 3.13Å; P507-H609 VanDerWaalsContact CD-NE2 3.31Å; P507-H609 WeakPolarHBondContact CD-NE2 3.46Å; N607-H609 VanDerWaalsContact C-N 3.3Å; N607-H609 PolarHBondContact O-N 3.36Å; H609-F612 PolarHBondContact O-N 3.18Å; H609-A613 WeakPolarHBondContact O-CB 3.42Å; H609-A613 PolarHBondContact O-N 3.3Å
610	H	93.3	Very high	82.2	Confident	31 Å²	31	49.8 Å²	49.8	14%	0.144	26%	0.255	C	S	.	.	H	α-helix	trans	-68.6	-43.5	174.4	177.4	63.2	0	0	0	110.7	I345 R346 N607 F612 A613 K614	I345-H610 PolarHBondContact O-CE1 3.14Å; R346-H610 PolarHBondContact O-CE1 3.01Å; R346-H610 VanDerWaalsContact O-CE1 3.26Å; R346-H610 PolarHBondContact O-ND1 3.3Å; N607-H610 HydrophobicContact CB-CB 4.46Å; N607-H610 WeakPolarHBondContact O-CA 3.44Å; N607-H610 WeakPolarHBondContact O-CB 3.35Å; N607-H610 PolarHBondContact O-N 3.35Å; H610-F612 VanDerWaalsContact C-N 3.28Å; H610-F612 PolarHBondContact O-N 2.79Å; H610-A613 WeakPolarHBondContact O-CB 3.31Å; H610-A613 PolarHBondContact O-N 3.16Å; H610-K614 WeakPolarHBondContact NE2-CE 3.23Å; H610-K614 PolarHBondContact NE2-NZ 2.97Å; H610-K614 VanDerWaalsContact NE2-NZ 3.15Å; H610-K614 WeakPolarHBondContact O-CG 3.5Å; H610-K614 PolarHBondContact O-N 3.21Å
611	S	93.2	Very high	83.3	Confident	27 Å²	27	49.6 Å²	49.6	19%	0.189	25%	0.246	C	C	.	.	H	α-helix	trans	-56.3	-44	170.4	-71.7	0	0	0	0	111.3	H537 N607 G608 A613 K614 V615	H537-S611 VanDerWaalsContact O-CB 3.26Å; H537-S611 WeakPolarHBondContact O-CB 3.48Å; H537-S611 PolarHBondContact O-OG 3.3Å; N607-S611 PolarHBondContact O-N 3.08Å; G608-S611 WeakPolarHBondContact O-CB 3.47Å; G608-S611 PolarHBondContact O-N 2.79Å; S611-A613 PolarHBondContact O-N 2.99Å; S611-K614 WeakPolarHBondContact O-CB 3.31Å; S611-K614 PolarHBondContact O-N 3.46Å; S611-V615 WeakPolarHBondContact O-CG2 3.36Å; S611-V615 PolarHBondContact O-N 3.46Å
612	F	95.4	Very high	84.7	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.1	-37.8	178.6	-175	-126.1	0	0	0	112.8	F436 I499 V510 L539 L594 T596 G608 H609 H610 K614 V615 L616	F436-F612 HydrophobicContact CD1-CD1 4.4Å; F436-F612 HydrophobicContact CD1-CE1 4.27Å; F436-F612 AromaticContact CE1-CD1 3.45Å; F436-F612 HydrophobicContact CE1-CD1 3.45Å; F436-F612 VanDerWaalsContact CE1-CD1 3.45Å; F436-F612 AromaticContact CE1-CE1 3.55Å; F436-F612 HydrophobicContact CE1-CE1 3.55Å; F436-F612 HydrophobicContact CE2-CD1 4.48Å; F436-F612 AromaticContact CZ-CD1 3.5Å; F436-F612 HydrophobicContact CZ-CD1 3.5Å; F436-F612 VanDerWaalsContact CZ-CD1 3.5Å; F436-F612 HydrophobicContact CZ-CE1 4.11Å; F436-F612 HydrophobicContact CZ-CG 4.35Å; I499-F612 HydrophobicContact CG2-CE1 3.53Å; I499-F612 HydrophobicContact CG2-CZ 3.87Å; V510-F612 HydrophobicContact CG1-CE2 3.99Å; V510-F612 HydrophobicContact CG2-CD2 3.97Å; V510-F612 HydrophobicContact CG2-CE2 4.18Å; L539-F612 HydrophobicContact CD1-CB 3.76Å; L539-F612 HydrophobicContact CD1-CD2 4.13Å; L539-F612 HydrophobicContact CD1-CG 4.42Å; L594-F612 HydrophobicContact CB-CE2 4.27Å; L594-F612 HydrophobicContact CB-CZ 4.13Å; L594-F612 HydrophobicContact CD1-CE2 4.43Å; T596-F612 HydrophobicContact CG2-CD1 3.5Å; T596-F612 VanDerWaalsContact CG2-CD1 3.5Å; T596-F612 HydrophobicContact CG2-CD2 3.75Å; T596-F612 HydrophobicContact CG2-CE1 3.34Å; T596-F612 HydrophobicContact CG2-CE2 3.62Å; T596-F612 HydrophobicContact CG2-CG 3.7Å; T596-F612 HydrophobicContact CG2-CZ 3.41Å; T596-F612 VanDerWaalsContact CG2-CZ 3.41Å; G608-F612 PolarHBondContact O-N 3.15Å; H609-F612 PolarHBondContact O-N 3.18Å; H610-F612 VanDerWaalsContact C-N 3.28Å; H610-F612 PolarHBondContact O-N 2.79Å; F612-K614 VanDerWaalsContact C-N 3.32Å; F612-K614 PolarHBondContact O-N 2.85Å; F612-V615 WeakPolarHBondContact O-CB 3.43Å; F612-V615 PolarHBondContact O-N 2.92Å; F612-L616 HydrophobicContact CD1-CD1 4.37Å; F612-L616 HydrophobicContact CE1-CD1 3.97Å; F612-L616 HydrophobicContact CE2-CD1 4.5Å; F612-L616 HydrophobicContact CE2-CG 4.38Å; F612-L616 HydrophobicContact CZ-CD1 4.03Å; F612-L616 HydrophobicContact CZ-CD2 4.48Å; F612-L616 HydrophobicContact CZ-CG 4.34Å; F612-L616 PolarHBondContact O-N 3.32Å; F612-L616 VanDerWaalsContact O-N 3.12Å
613	A	95	Very high	86.3	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.5	-42	173.2	0	0	0	0	0	111.7	I345 F436 Y439 L440 H609 H610 S611 L616 E617	I345-A613 HydrophobicContact CD1-CB 3.95Å; I345-A613 HydrophobicContact CG1-CB 4.35Å; I345-A613 HydrophobicContact CG2-CB 4.18Å; F436-A613 HydrophobicContact CE2-CB 4.1Å; F436-A613 HydrophobicContact CZ-CB 3.87Å; Y439-A613 HydrophobicContact CE1-CB 3.81Å; L440-A613 HydrophobicContact CD2-CB 4.35Å; H609-A613 WeakPolarHBondContact O-CB 3.42Å; H609-A613 PolarHBondContact O-N 3.3Å; H610-A613 WeakPolarHBondContact O-CB 3.31Å; H610-A613 PolarHBondContact O-N 3.16Å; S611-A613 PolarHBondContact O-N 2.99Å; A613-L616 PolarHBondContact O-N 3.47Å; A613-E617 PolarHBondContact O-N 3.49Å
614	K	94.2	Very high	88	Confident	56 Å²	56	24.8 Å²	24.8	24%	0.243	13%	0.132	C	C	.	.	H	α-helix	trans	-63.7	-39.1	173.7	-71.5	-178.3	161.7	172.8	0	112.2	E343 I345 H537 H610 S611 F612 L616 E617 S618	E343-K614 HydrophobicContact CB-CB 4.01Å; E343-K614 HydrophobicContact CB-CD 4.24Å; E343-K614 HydrophobicContact CB-CG 3.82Å; E343-K614 HydrophobicContact CG-CB 4.13Å; E343-K614 HydrophobicContact CG-CG 4.49Å; I345-K614 HydrophobicContact CG2-CB 4.34Å; I345-K614 HydrophobicContact CG2-CG 3.56Å; H537-K614 VanDerWaalsContact CD2-CB 3.41Å; H537-K614 WeakPolarHBondContact CD2-CB 3.3Å; H537-K614 WeakPolarHBondContact NE2-CB 3.05Å; H610-K614 WeakPolarHBondContact NE2-CE 3.23Å; H610-K614 PolarHBondContact NE2-NZ 2.97Å; H610-K614 VanDerWaalsContact NE2-NZ 3.15Å; H610-K614 WeakPolarHBondContact O-CG 3.5Å; H610-K614 PolarHBondContact O-N 3.21Å; S611-K614 WeakPolarHBondContact O-CB 3.31Å; S611-K614 PolarHBondContact O-N 3.46Å; F612-K614 VanDerWaalsContact C-N 3.32Å; F612-K614 PolarHBondContact O-N 2.85Å; K614-L616 VanDerWaalsContact C-N 3.3Å; K614-L616 PolarHBondContact O-N 3.4Å; K614-E617 PolarHBondContact O-N 2.9Å; K614-S618 VanDerWaalsContact O-CB 3.25Å; K614-S618 WeakPolarHBondContact O-CB 3.32Å; K614-S618 PolarHBondContact O-N 2.68Å
615	V	95.3	Very high	89.5	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-55.7	-48.1	174.4	169.8	0	0	0	0	111	S533 M534 H537 L539 S611 F612 S618 M619	S533-V615 VanDerWaalsContact OG-CA 3.26Å; S533-V615 WeakPolarHBondContact OG-CA 3.21Å; S533-V615 WeakPolarHBondContact OG-CG1 3.31Å; S533-V615 PolarHBondContact OG-O 2.78Å; M534-V615 HydrophobicContact CG-CG1 3.76Å; M534-V615 HydrophobicContact CG-CG2 4.23Å; H537-V615 HydrophobicContact CB-CG2 3.8Å; L539-V615 HydrophobicContact CD1-CG2 4.04Å; S611-V615 WeakPolarHBondContact O-CG2 3.36Å; S611-V615 PolarHBondContact O-N 3.46Å; F612-V615 WeakPolarHBondContact O-CB 3.43Å; F612-V615 PolarHBondContact O-N 2.92Å; V615-S618 WeakPolarHBondContact O-CB 3.31Å; V615-S618 PolarHBondContact O-N 3.36Å; V615-M619 HydrophobicContact CG1-CG 4.49Å; V615-M619 HydrophobicContact CG1-SD 4.04Å; V615-M619 VanDerWaalsContact O-CG 3.26Å; V615-M619 WeakPolarHBondContact O-CG 3.23Å; V615-M619 PolarHBondContact O-N 3.11Å
616	L	95.8	Very high	90.8	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-68.2	-42.1	-179.8	-67.9	170.6	0	0	0	112.6	F436 L440 L497 I499 L594 F612 A613 K614 S618 M619 L620	F436-L616 HydrophobicContact CE1-CD1 3.57Å; F436-L616 HydrophobicContact CZ-CD1 4.25Å; L440-L616 HydrophobicContact CD1-CD1 3.59Å; L497-L616 HydrophobicContact CD1-CD2 4.34Å; I499-L616 HydrophobicContact CD1-CD1 3.48Å; I499-L616 VanDerWaalsContact CD1-CD1 3.48Å; I499-L616 HydrophobicContact CD1-CD2 4.19Å; I499-L616 HydrophobicContact CD1-CG 4.48Å; I499-L616 HydrophobicContact CG1-CD1 3.98Å; I499-L616 HydrophobicContact CG1-CD2 4.15Å; I499-L616 HydrophobicContact CG2-CD1 4.46Å; L594-L616 HydrophobicContact CD1-CD2 3.77Å; F612-L616 HydrophobicContact CD1-CD1 4.37Å; F612-L616 HydrophobicContact CE1-CD1 3.97Å; F612-L616 HydrophobicContact CE2-CD1 4.5Å; F612-L616 HydrophobicContact CE2-CG 4.38Å; F612-L616 HydrophobicContact CZ-CD1 4.03Å; F612-L616 HydrophobicContact CZ-CD2 4.48Å; F612-L616 HydrophobicContact CZ-CG 4.34Å; F612-L616 PolarHBondContact O-N 3.32Å; F612-L616 VanDerWaalsContact O-N 3.12Å; A613-L616 PolarHBondContact O-N 3.47Å; K614-L616 VanDerWaalsContact C-N 3.3Å; K614-L616 PolarHBondContact O-N 3.4Å; L616-S618 VanDerWaalsContact C-N 3.33Å; L616-S618 PolarHBondContact O-N 3.38Å; L616-M619 PolarHBondContact O-N 2.98Å; L616-L620 WeakPolarHBondContact O-CB 3.5Å; L616-L620 VanDerWaalsContact O-CG 3.26Å; L616-L620 WeakPolarHBondContact O-CG 3.31Å; L616-L620 PolarHBondContact O-N 3.02Å
617	E	94.6	Very high	91.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57.7	-48.4	172.8	-175.4	-173.3	176.3	0	0	110.4	E343 E344 I345 F444 Y449 A613 K614 M619 L620 R621	E343-E617 WeakPolarHBondContact CA-OE2 3.14Å; E343-E617 WeakPolarHBondContact CB-OE2 3.4Å; E343-E617 HydrophobicContact CG-CB 4.47Å; E344-E617 PolarHBondContact N-OE1 3.49Å; E344-E617 VanDerWaalsContact N-OE1 3.1Å; E344-E617 PolarHBondContact N-OE2 3.19Å; E344-E617 VanDerWaalsContact N-OE2 3.12Å; I345-E617 WeakPolarHBondContact CB-OE2 3.31Å; I345-E617 HydrophobicContact CG2-CB 4.48Å; I345-E617 WeakPolarHBondContact CG2-OE2 3.36Å; I345-E617 PolarHBondContact N-OE2 2.92Å; F444-E617 HydrophobicContact CE1-CB 4.25Å; F444-E617 HydrophobicContact CE1-CG 4.38Å; Y449-E617 PolarHBondContact OH-OE1 2.84Å; A613-E617 PolarHBondContact O-N 3.49Å; K614-E617 PolarHBondContact O-N 2.9Å; E617-M619 PolarHBondContact O-N 2.6Å; E617-L620 PolarHBondContact O-N 3.46Å; E617-R621 HydrophobicContact CG-CG 4.27Å; E617-R621 WeakPolarHBondContact O-CB 3.29Å; E617-R621 VanDerWaalsContact O-CG 3.28Å; E617-R621 WeakPolarHBondContact O-CG 3.4Å; E617-R621 PolarHBondContact O-N 3.36Å; E617-R621 IonicContact OE1-NH1 2.68Å
618	S	93.2	Very high	91.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.4	-47.3	179.6	-156.4	0	0	0	0	111.7	E343 S533 K614 V615 L616 L620 R621 S622	E343-S618 WeakPolarHBondContact OE1-CB 3.5Å; E343-S618 PolarHBondContact OE1-OG 2.92Å; S533-S618 WeakPolarHBondContact OG-CB 3.47Å; K614-S618 VanDerWaalsContact O-CB 3.25Å; K614-S618 WeakPolarHBondContact O-CB 3.32Å; K614-S618 PolarHBondContact O-N 2.68Å; V615-S618 WeakPolarHBondContact O-CB 3.31Å; V615-S618 PolarHBondContact O-N 3.36Å; L616-S618 VanDerWaalsContact C-N 3.33Å; L616-S618 PolarHBondContact O-N 3.38Å; S618-L620 PolarHBondContact O-N 3.4Å; S618-R621 PolarHBondContact O-N 3.39Å; S618-S622 PolarHBondContact O-N 2.8Å; S618-S622 PolarHBondContact O-OG 2.92Å
619	M	94.9	Very high	91.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.4	-47.4	176.7	-72.1	179.1	66.9	0	0	111.7	L497 L529 A530 L592 L594 V615 L616 E617 S622 V623	L497-M619 HydrophobicContact CD1-CB 4.4Å; L497-M619 HydrophobicContact CD1-CE 4.13Å; L497-M619 HydrophobicContact CD2-CE 3.79Å; L529-M619 HydrophobicContact CD2-CB 4.35Å; L529-M619 HydrophobicContact CD2-CG 4.48Å; L529-M619 HydrophobicContact CG-CB 4.49Å; L529-M619 HydrophobicContact CG-CG 4.14Å; A530-M619 HydrophobicContact CB-CE 3.59Å; A530-M619 HydrophobicContact CB-SD 3.88Å; L592-M619 HydrophobicContact CD1-CE 4.25Å; L594-M619 HydrophobicContact CD1-CE 4.3Å; L594-M619 HydrophobicContact CD1-SD 3.94Å; V615-M619 HydrophobicContact CG1-CG 4.49Å; V615-M619 HydrophobicContact CG1-SD 4.04Å; V615-M619 VanDerWaalsContact O-CG 3.26Å; V615-M619 WeakPolarHBondContact O-CG 3.23Å; V615-M619 PolarHBondContact O-N 3.11Å; L616-M619 PolarHBondContact O-N 2.98Å; E617-M619 PolarHBondContact O-N 2.6Å; M619-S622 PolarHBondContact O-N 3.12Å; M619-V623 WeakPolarHBondContact O-CG2 3.07Å; M619-V623 PolarHBondContact O-N 3.38Å
620	L	93.5	Very high	90.8	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.026	14%	0.138	C	C	.	.	H	α-helix	trans	-67.9	-35.9	-179.2	-70.1	172.3	0	0	0	111.9	V422 V424 F444 W450 L497 L616 E617 S618 V623 N624	V422-L620 HydrophobicContact CB-CD2 4.38Å; V422-L620 HydrophobicContact CG1-CD2 3.43Å; V422-L620 VanDerWaalsContact CG1-CD2 3.43Å; V424-L620 HydrophobicContact CG2-CD1 3.95Å; V424-L620 HydrophobicContact CG2-CD2 4.2Å; F444-L620 HydrophobicContact CD2-CD1 4.26Å; F444-L620 HydrophobicContact CE2-CD1 3.25Å; F444-L620 HydrophobicContact CZ-CD1 3.69Å; W450-L620 HydrophobicContact CH2-CB 4.11Å; W450-L620 HydrophobicContact CZ3-CB 3.84Å; L497-L620 HydrophobicContact CD1-CD2 3.83Å; L497-L620 HydrophobicContact CD1-CG 4.13Å; L616-L620 WeakPolarHBondContact O-CB 3.5Å; L616-L620 VanDerWaalsContact O-CG 3.26Å; L616-L620 WeakPolarHBondContact O-CG 3.31Å; L616-L620 PolarHBondContact O-N 3.02Å; E617-L620 PolarHBondContact O-N 3.46Å; S618-L620 PolarHBondContact O-N 3.4Å; L620-V623 PolarHBondContact O-N 3.04Å; L620-N624 WeakPolarHBondContact O-CB 3.4Å; L620-N624 PolarHBondContact O-N 3.29Å
621	R	91.8	Very high	90	Very high	49 Å²	49	32.4 Å²	32.4	19%	0.185	16%	0.156	C	C	.	.	H	α-helix	trans	-66.9	-39.1	174.5	-72.2	-174.5	74.3	173.6	-2.4	111.8	V341 D342 Y449 W450 E617 S618 N624 N625	V341-R621 HydrophobicContact CG1-CB 4.2Å; V341-R621 HydrophobicContact CG1-CG 4.44Å; V341-R621 HydrophobicContact CG2-CB 4.46Å; D342-R621 PolarHBondContact O-NH1 2.59Å; D342-R621 VanDerWaalsContact O-NH1 3.08Å; Y449-R621 HydrophobicContact CD2-CG 4.37Å; Y449-R621 HydrophobicContact CE2-CG 3.87Å; W450-R621 HydrophobicContact CH2-CG 4.1Å; W450-R621 HydrophobicContact CZ3-CG 3.95Å; E617-R621 HydrophobicContact CG-CG 4.27Å; E617-R621 WeakPolarHBondContact O-CB 3.29Å; E617-R621 VanDerWaalsContact O-CG 3.28Å; E617-R621 WeakPolarHBondContact O-CG 3.4Å; E617-R621 PolarHBondContact O-N 3.36Å; E617-R621 IonicContact OE1-NH1 2.68Å; S618-R621 PolarHBondContact O-N 3.39Å; R621-N624 WeakPolarHBondContact O-CB 3.12Å; R621-N624 PolarHBondContact O-N 3.15Å; R621-N625 PolarHBondContact O-N 3.18Å; R621-N625 PolarHBondContact O-OD1 3.35Å
622	S	91.8	Very high	88.3	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62.9	-46.2	171.9	-74.9	0	0	0	0	112.6	L336 L529 S618 M619 N624 N625	L336-S622 WeakPolarHBondContact O-CA 3.47Å; L336-S622 WeakPolarHBondContact O-CB 3.44Å; L336-S622 PolarHBondContact O-OG 3.45Å; L529-S622 VanDerWaalsContact CD1-CB 3.47Å; L529-S622 WeakPolarHBondContact CD1-OG 3.32Å; S618-S622 PolarHBondContact O-N 2.8Å; S618-S622 PolarHBondContact O-OG 2.92Å; M619-S622 PolarHBondContact O-N 3.12Å; S622-N624 VanDerWaalsContact C-N 3.3Å; S622-N624 PolarHBondContact O-N 2.81Å; S622-N625 PolarHBondContact O-N 2.89Å
623	V	91.7	Very high	87.3	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.006	17%	0.174	C	C	.	.	H	α-helix	trans	-65.7	-35.8	176.2	172.4	0	0	0	0	110.9	V422 K452 V495 L526 L529 M619 L620 N625 L626	V422-V623 HydrophobicContact CG2-CG1 3.83Å; K452-V623 WeakPolarHBondContact CE-O 3.48Å; K452-V623 PolarHBondContact NZ-O 2.76Å; V495-V623 HydrophobicContact CB-CG1 4.09Å; V495-V623 HydrophobicContact CG1-CG2 4.5Å; V495-V623 HydrophobicContact CG2-CG1 3.75Å; V495-V623 HydrophobicContact CG2-CG2 4.2Å; L526-V623 HydrophobicContact CD1-CG2 4.35Å; L529-V623 HydrophobicContact CD2-CG2 4Å; M619-V623 WeakPolarHBondContact O-CG2 3.07Å; M619-V623 PolarHBondContact O-N 3.38Å; L620-V623 PolarHBondContact O-N 3.04Å; V623-N625 PolarHBondContact O-N 2.75Å; V623-L626 WeakPolarHBondContact O-CB 3.46Å; V623-L626 PolarHBondContact O-N 3.48Å
624	N	89.9	Confident	86.7	Confident	19 Å²	19	40 Å²	40	10%	0.102	19%	0.188	C	C	.	.	H	α-helix	trans	-60.6	-27.9	179.1	-172.4	68.2	0	0	0	112.8	Y449 A451 K452 L620 R621 S622 L626	Y449-N624 PolarHBondContact O-ND2 2.78Å; A451-N624 WeakPolarHBondContact CA-OD1 3.32Å; A451-N624 WeakPolarHBondContact CB-ND2 3.26Å; A451-N624 WeakPolarHBondContact CB-OD1 3.09Å; A451-N624 PolarHBondContact N-ND2 2.85Å; A451-N624 PolarHBondContact N-OD1 3.3Å; K452-N624 PolarHBondContact N-OD1 2.92Å; L620-N624 WeakPolarHBondContact O-CB 3.4Å; L620-N624 PolarHBondContact O-N 3.29Å; R621-N624 WeakPolarHBondContact O-CB 3.12Å; R621-N624 PolarHBondContact O-N 3.15Å; S622-N624 VanDerWaalsContact C-N 3.3Å; S622-N624 PolarHBondContact O-N 2.81Å; N624-L626 VanDerWaalsContact C-N 3.29Å; N624-L626 PolarHBondContact O-N 3.36Å
625	N	89	Confident	86.3	Confident	63 Å²	63	40.8 Å²	40.8	34%	0.337	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-16.8	176.1	-64.4	-19.9	0	0	0	113.6	A335 R621 S622 V623 Q627	A335-N625 VanDerWaalsContact O-CB 3.26Å; A335-N625 WeakPolarHBondContact O-CB 3.4Å; R621-N625 PolarHBondContact O-N 3.18Å; R621-N625 PolarHBondContact O-OD1 3.35Å; S622-N625 PolarHBondContact O-N 2.89Å; V623-N625 PolarHBondContact O-N 2.75Å; N625-Q627 PolarHBondContact O-N 3.21Å
626	L	87.2	Confident	86	Confident	7 Å²	7	46.4 Å²	46.4	4%	0.037	22%	0.216	C	C	.	.			trans	-72.9	118.8	-177.8	-60.3	175.2	0	0	0	111.5	E333 A335 L336 K452 V623 N624 E628 L630	E333-L626 HydrophobicContact CG-CD2 3.77Å; A335-L626 HydrophobicContact CB-CD2 4.12Å; L336-L626 HydrophobicContact CD2-CD1 3.8Å; L336-L626 HydrophobicContact CD2-CD2 3.81Å; L336-L626 HydrophobicContact CD2-CG 3.91Å; L336-L626 HydrophobicContact CG-CD2 4.04Å; K452-L626 WeakPolarHBondContact CE-O 3.46Å; K452-L626 PolarHBondContact NZ-O 3.43Å; V623-L626 WeakPolarHBondContact O-CB 3.46Å; V623-L626 PolarHBondContact O-N 3.48Å; N624-L626 VanDerWaalsContact C-N 3.29Å; N624-L626 PolarHBondContact O-N 3.36Å; L626-E628 VanDerWaalsContact C-N 3.32Å; L626-L630 HydrophobicContact CD1-CD1 4.27Å; L626-L630 HydrophobicContact CD1-CD2 3.57Å; L626-L630 HydrophobicContact CD1-CG 3.69Å; L626-L630 HydrophobicContact CD2-CD2 4.38Å
627	Q	80.8	Confident	85.8	Confident	181 Å²	181	46.3 Å²	46.3	85%	0.846	22%	0.216	S	C	*	.	S	Bend	trans	-86.3	-5.2	174.6	-68	-175.2	-14	0	0	113.5	K420 N625	K420-Q627 WeakPolarHBondContact CE-O 3.36Å; K420-Q627 PolarHBondContact NZ-O 3.1Å; N625-Q627 PolarHBondContact O-N 3.21Å
628	E	82.9	Confident	85.7	Confident	98 Å²	98	46.3 Å²	46.3	46%	0.458	22%	0.216	S	C	.	.	S	Bend	trans	-141.9	176.3	-179.3	62.8	-174.5	177.5	0	0	111.2	L626 H631	L626-E628 VanDerWaalsContact C-N 3.32Å; E628-H631 VanDerWaalsContact CD-CE1 3.46Å; E628-H631 IonicContact OE1-CE1 2.7Å; E628-H631 PolarHBondContact OE1-CE1 2.87Å; E628-H631 VanDerWaalsContact OE1-CE1 3.29Å; E628-H631 IonicContact OE1-ND1 3.24Å; E628-H631 IonicContact OE2-CE1 2.92Å
629	I	81.6	Confident	85.7	Confident	54 Å²	54	46.4 Å²	46.4	28%	0.277	22%	0.216	S	C	.	.			trans	-73.8	142.6	176.1	-43.1	160	0	0	0	108.6	R492 H631	R492-I629 VanDerWaalsContact NH1-CD1 3.33Å; I629-H631 PolarHBondContact O-N 3.02Å; I629-H631 PolarHBondContact O-ND1 3.39Å
630	L	81.7	Confident	85.5	Confident	10 Å²	10	46.5 Å²	46.5	5%	0.052	22%	0.217	C	C	.	.	S	Bend	trans	-56.3	105	167.7	-74.9	175.6	0	0	0	111.5	V495 N523 L526 H590 L626	V495-L630 HydrophobicContact CG2-CD1 4.45Å; N523-L630 HydrophobicContact CB-CB 4Å; N523-L630 HydrophobicContact CB-CD1 4.41Å; N523-L630 WeakPolarHBondContact ND2-CB 3.5Å; N523-L630 PolarHBondContact ND2-O 3.35Å; L526-L630 HydrophobicContact CB-CD1 4.21Å; H590-L630 PolarHBondContact NE2-O 3.17Å; L626-L630 HydrophobicContact CD1-CD1 4.27Å; L626-L630 HydrophobicContact CD1-CD2 3.57Å; L626-L630 HydrophobicContact CD1-CG 3.69Å; L626-L630 HydrophobicContact CD2-CD2 4.38Å
631	H	76.2	Confident	85.4	Confident	110 Å²	110	46.5 Å²	46.5	51%	0.509	22%	0.217	S	C	.	.			trans	-133.1	-15.5	-179.2	70.6	-84.5	0	0	0	114.9	E628 I629	E628-H631 VanDerWaalsContact CD-CE1 3.46Å; E628-H631 IonicContact OE1-CE1 2.7Å; E628-H631 PolarHBondContact OE1-CE1 2.87Å; E628-H631 VanDerWaalsContact OE1-CE1 3.29Å; E628-H631 IonicContact OE1-ND1 3.24Å; E628-H631 IonicContact OE2-CE1 2.92Å; I629-H631 PolarHBondContact O-N 3.02Å; I629-H631 PolarHBondContact O-ND1 3.39Å
632	Q	58.5	Low	85.4	Confident	111 Å²	111	45 Å²	45	52%	0.519	21%	0.214	S	C	.	.	S	Bend	trans	-76.4	-29.6	-171.2	-165.8	-178.8	18.2	0	0	114.7	S332 E333	S332-Q632 PolarHBondContact O-OE1 3.24Å; E333-Q632 PolarHBondContact OE2-OE1 3.21Å
633	S	74.9	Confident	85.3	Confident	7 Å²	7	47.5 Å²	47.5	5%	0.049	23%	0.227	C	C	.	.	S	Bend	trans	-98.7	174.1	-173.3	176.6	0	0	0	0	112	S332 N523 D525	S332-S633 WeakPolarHBondContact OG-CB 3.47Å; N523-S633 WeakPolarHBondContact OD1-CB 3.38Å; N523-S633 PolarHBondContact OD1-OG 2.69Å; D525-S633 WeakPolarHBondContact OD1-CB 3.13Å; D525-S633 PolarHBondContact OD1-OG 2.84Å
634	F	81.8	Confident	85.3	Confident	67 Å²	67	47.6 Å²	47.6	29%	0.294	23%	0.228	S	C	.	.			trans	-70.8	136.3	-166.9	-64.9	-80.5	0	0	0	112.5	L524 Y637 Y645	L524-F634 HydrophobicContact CD2-CB 4.49Å; L524-F634 HydrophobicContact CD2-CD2 4.4Å; L524-F634 PolarHBondContact N-O 3.27Å; F634-Y637 HydrophobicContact CB-CD1 4.27Å; F634-Y637 VanDerWaalsContact O-CD1 3.31Å; F634-Y637 WeakPolarHBondContact O-CD1 3.44Å; F634-Y637 VanDerWaalsContact O-CE1 3.25Å; F634-Y637 WeakPolarHBondContact O-CE1 3.22Å; F634-Y645 HydrophobicContact CD2-CD2 4.45Å; F634-Y645 AromaticContact CD2-CE2 3.63Å; F634-Y645 HydrophobicContact CD2-CE2 3.63Å; F634-Y645 AromaticContact CD2-CZ 3.99Å; F634-Y645 AromaticContact CE2-CE2 3.7Å; F634-Y645 HydrophobicContact CE2-CE2 3.7Å; F634-Y645 AromaticContact CE2-CZ 3.77Å; F634-Y645 VanDerWaalsContact CE2-OH 3.23Å; F634-Y645 WeakPolarHBondContact CE2-OH 3.36Å; F634-Y645 HydrophobicContact CG-CE2 4.31Å; F634-Y645 HydrophobicContact CZ-CE2 4.42Å
635	F	85.9	Confident	85.4	Confident	74 Å²	74	47.3 Å²	47.3	33%	0.325	23%	0.225	S	C	.	.	S	Bend	trans	-98.2	-23.6	169.8	-66.5	-71.6	0	0	0	113.3	L521 N523 H590	L521-F635 WeakPolarHBondContact CB-O 3.34Å; N523-F635 HydrophobicContact CB-CE1 3.86Å; N523-F635 HydrophobicContact CB-CZ 4.38Å; H590-F635 AromaticContact CE1-CE1 3.59Å
636	F	88.5	Confident	85.5	Confident	117 Å²	117	44.4 Å²	44.4	51%	0.513	21%	0.21	S	C	.	.	S	Bend	trans	-112.9	93.3	-177.6	-61.7	-72.8	0	0	0	110.2	I648	F636-I648 HydrophobicContact CB-CB 3.83Å; F636-I648 HydrophobicContact CB-CG1 4.47Å; F636-I648 HydrophobicContact CB-CG2 4.18Å; F636-I648 PolarHBondContact O-N 2.89Å; F636-I648 VanDerWaalsContact O-N 3.13Å
637	Y	92.3	Very high	85.7	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	160.4	-177.5	59	-91.6	0	0	0	112.7	Y514 L521 P522 L524 I527 Q572 F634 L639 I646	Y514-Y637 HydrophobicContact CE2-CE2 4.28Å; L521-Y637 HydrophobicContact CB-CE1 4.03Å; L521-Y637 HydrophobicContact CD1-CD1 4.3Å; L521-Y637 HydrophobicContact CD1-CD2 4.32Å; L521-Y637 HydrophobicContact CD1-CE1 4.22Å; L521-Y637 HydrophobicContact CD1-CE2 4.25Å; L521-Y637 HydrophobicContact CD1-CG 4.34Å; L521-Y637 WeakPolarHBondContact CD1-O 3.49Å; P522-Y637 VanDerWaalsContact O-CE1 3.28Å; P522-Y637 WeakPolarHBondContact O-CE1 3.16Å; P522-Y637 PolarHBondContact O-OH 3.28Å; L524-Y637 HydrophobicContact CB-CD1 3.95Å; L524-Y637 HydrophobicContact CB-CE1 3.73Å; L524-Y637 HydrophobicContact CD1-CD1 4.45Å; L524-Y637 HydrophobicContact CD1-CD2 3.97Å; L524-Y637 HydrophobicContact CD1-CE1 4.36Å; L524-Y637 HydrophobicContact CD1-CE2 3.86Å; L524-Y637 HydrophobicContact CD1-CG 4.27Å; I527-Y637 HydrophobicContact CD1-CE2 3.93Å; I527-Y637 WeakPolarHBondContact CD1-OH 3.4Å; Q572-Y637 PolarHBondContact NE2-O 3.45Å; Q572-Y637 VanDerWaalsContact NE2-O 3.15Å; F634-Y637 HydrophobicContact CB-CD1 4.27Å; F634-Y637 VanDerWaalsContact O-CD1 3.31Å; F634-Y637 WeakPolarHBondContact O-CD1 3.44Å; F634-Y637 VanDerWaalsContact O-CE1 3.25Å; F634-Y637 WeakPolarHBondContact O-CE1 3.22Å; Y637-L639 HydrophobicContact CD2-CD1 4.44Å; Y637-L639 HydrophobicContact CD2-CD2 3.86Å; Y637-L639 HydrophobicContact CD2-CG 3.84Å; Y637-L639 HydrophobicContact CE2-CD1 4.04Å; Y637-L639 HydrophobicContact CE2-CD2 4.2Å; Y637-L639 HydrophobicContact CE2-CG 3.95Å; Y637-I646 CarbonylContact C-O 3.53Å; Y637-I646 VanDerWaalsContact CA-O 3.23Å; Y637-I646 WeakPolarHBondContact CA-O 3.28Å
638	V	92.4	Very high	86	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	137.8	167.6	-173.7	0	0	0	0	108.4	F565 L569 P640 Y645 I646 Y651	F565-V638 HydrophobicContact CD2-CB 3.98Å; F565-V638 HydrophobicContact CD2-CG1 3.42Å; F565-V638 VanDerWaalsContact CD2-CG1 3.42Å; F565-V638 HydrophobicContact CE2-CB 3.92Å; F565-V638 HydrophobicContact CE2-CG1 3.79Å; F565-V638 HydrophobicContact CE2-CG2 4.19Å; F565-V638 HydrophobicContact CG-CG1 4.28Å; L569-V638 HydrophobicContact CD2-CG2 3.89Å; V638-P640 WeakPolarHBondContact O-CD 3.49Å; V638-Y645 WeakPolarHBondContact O-CA 3.3Å; V638-I646 PolarHBondContact N-O 3.4Å; V638-I646 PolarHBondContact O-N 3Å; V638-Y651 HydrophobicContact CG2-CD1 4.41Å; V638-Y651 HydrophobicContact CG2-CE1 4.17Å
639	L	92.5	Very high	86.1	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	94.4	-176.2	-62.7	179.1	0	0	0	111	Y514 L524 I527 L543 Y637 S641	Y514-L639 HydrophobicContact CE1-CD1 4.06Å; L524-L639 HydrophobicContact CD1-CD2 3.83Å; I527-L639 HydrophobicContact CD1-CD1 4.01Å; I527-L639 HydrophobicContact CG2-CD1 4.22Å; L543-L639 HydrophobicContact CD1-CB 3.83Å; L543-L639 HydrophobicContact CD1-CD1 3.73Å; L543-L639 HydrophobicContact CD1-CG 4.42Å; Y637-L639 HydrophobicContact CD2-CD1 4.44Å; Y637-L639 HydrophobicContact CD2-CD2 3.86Å; Y637-L639 HydrophobicContact CD2-CG 3.84Å; Y637-L639 HydrophobicContact CE2-CD1 4.04Å; Y637-L639 HydrophobicContact CE2-CD2 4.2Å; Y637-L639 HydrophobicContact CE2-CG 3.95Å; L639-S641 PolarHBondContact O-N 3.14Å
640	P	91.2	Very high	86.6	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.013	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	-16	170.4	28	-36.1	0	0	0	113	R561 M564 V638 S644 I646	R561-P640 HydrophobicContact CB-CB 3.98Å; R561-P640 HydrophobicContact CG-CB 3.97Å; M564-P640 WeakPolarHBondContact CB-O 3.44Å; V638-P640 WeakPolarHBondContact O-CD 3.49Å; P640-S644 VanDerWaalsContact CD-O 3.31Å; P640-S644 WeakPolarHBondContact CD-O 3.43Å; P640-I646 HydrophobicContact CB-CD1 4.48Å; P640-I646 HydrophobicContact CG-CD1 3.89Å; P640-I646 HydrophobicContact CG-CG1 3.95Å
641	S	91.2	Very high	86.9	Confident	5 Å²	5	36 Å²	36	4%	0.035	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	167	173	164.8	0	0	0	0	109.1	Q548 L639 D643 S644	Q548-S641 PolarHBondContact OE1-OG 3.46Å; L639-S641 PolarHBondContact O-N 3.14Å; S641-D643 PolarHBondContact O-N 3.41Å; S641-D643 PolarHBondContact OG-N 2.83Å; S641-S644 WeakPolarHBondContact CB-OG 3.25Å; S641-S644 PolarHBondContact O-N 3.18Å
642	V	91	Very high	87.6	Confident	18 Å²	18	32.4 Å²	32.4	11%	0.109	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-21.5	170.7	-71	0	0	0	0	113.5	V531 R535 P541 L543	V531-V642 HydrophobicContact CG1-CB 4.39Å; V531-V642 HydrophobicContact CG2-CB 4.38Å; R535-V642 VanDerWaalsContact NH2-CG2 3.33Å; P541-V642 HydrophobicContact CB-CG1 4.36Å; L543-V642 HydrophobicContact CD1-CG1 4.02Å; L543-V642 HydrophobicContact CG-CG1 3.83Å
643	D	90.1	Very high	89.3	Confident	53 Å²	53	30.2 Å²	30.2	28%	0.283	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-2	-174.4	-70.9	-38.7	0	0	0	114.7	N328 T329 R535 S641	N328-D643 CarbonylContact C-O 3.56Å; N328-D643 WeakPolarHBondContact CA-O 3.45Å; T329-D643 PolarHBondContact N-O 2.82Å; T329-D643 WeakPolarHBondContact OG1-CA 3.43Å; T329-D643 PolarHBondContact OG1-O 3.4Å; R535-D643 IonicContact CZ-OD1 3.57Å; R535-D643 IonicContact CZ-OD2 2.6Å; R535-D643 IonicContact NH1-OD1 3.9Å; R535-D643 PolarHBondContact NH1-OD1 2.88Å; R535-D643 IonicContact NH1-OD2 2.57Å; R535-D643 PolarHBondContact NH1-OD2 3.42Å; R535-D643 IonicContact NH2-OD1 2.8Å; R535-D643 PolarHBondContact NH2-OD1 3.3Å; R535-D643 IonicContact NH2-OD2 3.43Å; R535-D643 PolarHBondContact NH2-OD2 3.18Å; S641-D643 PolarHBondContact O-N 3.41Å; S641-D643 PolarHBondContact OG-N 2.83Å
644	S	91	Very high	90.1	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.021	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	139.2	-176.7	60.8	0	0	0	0	110.4	S327 P640 S641	S327-S644 CarbonylContact O-C 3.58Å; S327-S644 WeakPolarHBondContact O-CA 3.26Å; P640-S644 VanDerWaalsContact CD-O 3.31Å; P640-S644 WeakPolarHBondContact CD-O 3.43Å; S641-S644 WeakPolarHBondContact CB-OG 3.25Å; S641-S644 PolarHBondContact O-N 3.18Å
645	Y	92.3	Very high	90.6	Very high	12 Å²	12	27.2 Å²	27.2	5%	0.047	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	157.1	176.8	74.6	-80.2	0	0	0	109.8	S327 N328 T329 Y330 L524 F634 V638	S327-Y645 PolarHBondContact N-O 3.35Å; S327-Y645 WeakPolarHBondContact O-CD1 3.25Å; S327-Y645 PolarHBondContact O-N 2.93Å; N328-Y645 WeakPolarHBondContact O-CE1 3.35Å; T329-Y645 HydrophobicContact CG2-CD1 4.04Å; Y330-Y645 HydrophobicContact CD1-CE1 4.43Å; Y330-Y645 HydrophobicContact CE1-CE1 4.26Å; Y330-Y645 WeakPolarHBondContact CE1-OH 3.42Å; L524-Y645 HydrophobicContact CD2-CD1 3.86Å; L524-Y645 HydrophobicContact CD2-CD2 3.78Å; L524-Y645 HydrophobicContact CD2-CE1 4.3Å; L524-Y645 HydrophobicContact CD2-CE2 4.23Å; L524-Y645 HydrophobicContact CD2-CG 3.58Å; F634-Y645 HydrophobicContact CD2-CD2 4.45Å; F634-Y645 AromaticContact CD2-CE2 3.63Å; F634-Y645 HydrophobicContact CD2-CE2 3.63Å; F634-Y645 AromaticContact CD2-CZ 3.99Å; F634-Y645 AromaticContact CE2-CE2 3.7Å; F634-Y645 HydrophobicContact CE2-CE2 3.7Å; F634-Y645 AromaticContact CE2-CZ 3.77Å; F634-Y645 VanDerWaalsContact CE2-OH 3.23Å; F634-Y645 WeakPolarHBondContact CE2-OH 3.36Å; F634-Y645 HydrophobicContact CG-CE2 4.31Å; F634-Y645 HydrophobicContact CZ-CE2 4.42Å; V638-Y645 WeakPolarHBondContact O-CA 3.3Å
646	I	91.8	Very high	91	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	119.2	171.3	-58.4	172.5	0	0	0	106.3	I320 F565 Y637 V638 P640 I650 Y651	I320-I646 HydrophobicContact CD1-CG2 3.82Å; I320-I646 HydrophobicContact CG1-CD1 4.4Å; I320-I646 HydrophobicContact CG1-CG2 4.2Å; F565-I646 HydrophobicContact CD2-CD1 3.84Å; F565-I646 HydrophobicContact CE2-CD1 3.93Å; Y637-I646 CarbonylContact C-O 3.53Å; Y637-I646 VanDerWaalsContact CA-O 3.23Å; Y637-I646 WeakPolarHBondContact CA-O 3.28Å; V638-I646 PolarHBondContact N-O 3.4Å; V638-I646 PolarHBondContact O-N 3Å; P640-I646 HydrophobicContact CB-CD1 4.48Å; P640-I646 HydrophobicContact CG-CD1 3.89Å; P640-I646 HydrophobicContact CG-CG1 3.95Å; I646-I650 HydrophobicContact CG2-CB 3.92Å; I646-I650 HydrophobicContact CG2-CD1 4.44Å; I646-I650 HydrophobicContact CG2-CG2 4.24Å; I646-Y651 HydrophobicContact CG2-CD1 4.02Å
647	S	90.2	Very high	91.4	Very high	18 Å²	18	22.3 Å²	22.3	13%	0.126	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	162	179.4	64.2	0	0	0	0	112.3	G649 I650 Y651	S647-G649 PolarHBondContact O-N 3.33Å; S647-G649 VanDerWaalsContact O-N 3.14Å; S647-I650 PolarHBondContact O-N 2.91Å; S647-Y651 VanDerWaalsContact C-CE1 3.45Å; S647-Y651 WeakPolarHBondContact O-CD1 3.18Å; S647-Y651 PolarHBondContact O-N 2.88Å
648	I	87.1	Confident	91.5	Very high	67 Å²	67	22.3 Å²	22.3	34%	0.344	15%	0.151	S	C	.	.	H	α-helix	trans	-47.8	-37.6	174.1	-176.4	62.5	0	0	0	113.7	F636 I650 Y651 A652	F636-I648 HydrophobicContact CB-CB 3.83Å; F636-I648 HydrophobicContact CB-CG1 4.47Å; F636-I648 HydrophobicContact CB-CG2 4.18Å; F636-I648 PolarHBondContact O-N 2.89Å; F636-I648 VanDerWaalsContact O-N 3.13Å; I648-I650 PolarHBondContact O-N 3.39Å; I648-Y651 VanDerWaalsContact CA-CE1 3.46Å; I648-Y651 VanDerWaalsContact CA-CZ 3.46Å; I648-Y651 HydrophobicContact CB-CE1 4.36Å; I648-Y651 HydrophobicContact CB-CE2 4.34Å; I648-Y651 HydrophobicContact CD1-CD2 3.97Å; I648-Y651 HydrophobicContact CD1-CE2 3.18Å; I648-Y651 HydrophobicContact CG1-CE2 4.31Å; I648-Y651 PolarHBondContact O-N 3.39Å; I648-A652 HydrophobicContact CD1-CB 3.92Å; I648-A652 HydrophobicContact CG1-CB 4.27Å; I648-A652 WeakPolarHBondContact O-CB 3.31Å; I648-A652 PolarHBondContact O-N 3.4Å
649	G	86.9	Confident	91.6	Very high	57 Å²	57	23.4 Å²	23.4	59%	0.588	16%	0.156	S	C	*	.	H	α-helix	trans	-61.8	-26.2	-179.5	0	0	0	0	0	113.7	S647 P653	S647-G649 PolarHBondContact O-N 3.33Å; S647-G649 VanDerWaalsContact O-N 3.14Å; G649-P653 WeakPolarHBondContact O-CD 3.23Å
650	I	90.4	Very high	91.7	Very high	30 Å²	30	26.2 Å²	26.2	15%	0.154	17%	0.171	C	C	.	.	H	α-helix	trans	-90	-43.2	179.4	-50.8	-179.4	0	0	0	110.6	Y316 I320 M325 I646 S647 I648 P653	Y316-I650 WeakPolarHBondContact CE1-O 3.31Å; Y316-I650 PolarHBondContact OH-O 2.84Å; I320-I650 HydrophobicContact CD1-CB 4.38Å; I320-I650 HydrophobicContact CD1-CG2 3.74Å; I320-I650 HydrophobicContact CG1-CG2 3.72Å; M325-I650 HydrophobicContact CE-CG2 3.54Å; I646-I650 HydrophobicContact CG2-CB 3.92Å; I646-I650 HydrophobicContact CG2-CD1 4.44Å; I646-I650 HydrophobicContact CG2-CG2 4.24Å; S647-I650 PolarHBondContact O-N 2.91Å; I648-I650 PolarHBondContact O-N 3.39Å; I650-P653 WeakPolarHBondContact O-CD 3.32Å
651	Y	89.3	Confident	91.9	Very high	3 Å²	3	26.4 Å²	26.4	1%	0.012	17%	0.172	C	C	.	.	H	α-helix	trans	-88.6	-17.2	-175.3	64.8	-112.4	0	0	0	114.7	Y317 V638 I646 S647 I648 G654 F774	Y317-Y651 PolarHBondContact OH-O 3.18Å; V638-Y651 HydrophobicContact CG2-CD1 4.41Å; V638-Y651 HydrophobicContact CG2-CE1 4.17Å; I646-Y651 HydrophobicContact CG2-CD1 4.02Å; S647-Y651 VanDerWaalsContact C-CE1 3.45Å; S647-Y651 WeakPolarHBondContact O-CD1 3.18Å; S647-Y651 PolarHBondContact O-N 2.88Å; I648-Y651 VanDerWaalsContact CA-CE1 3.46Å; I648-Y651 VanDerWaalsContact CA-CZ 3.46Å; I648-Y651 HydrophobicContact CB-CE1 4.36Å; I648-Y651 HydrophobicContact CB-CE2 4.34Å; I648-Y651 HydrophobicContact CD1-CD2 3.97Å; I648-Y651 HydrophobicContact CD1-CE2 3.18Å; I648-Y651 HydrophobicContact CG1-CE2 4.31Å; I648-Y651 PolarHBondContact O-N 3.39Å; Y651-G654 PolarHBondContact O-N 2.98Å; Y651-F774 AromaticContact CD2-CD1 3.76Å; Y651-F774 HydrophobicContact CD2-CD1 3.76Å; Y651-F774 AromaticContact CD2-CD2 3.73Å; Y651-F774 HydrophobicContact CD2-CD2 3.73Å; Y651-F774 AromaticContact CD2-CE1 3.34Å; Y651-F774 HydrophobicContact CD2-CE1 3.34Å; Y651-F774 AromaticContact CD2-CE2 3.32Å; Y651-F774 HydrophobicContact CD2-CE2 3.32Å; Y651-F774 AromaticContact CD2-CG 3.94Å; Y651-F774 HydrophobicContact CD2-CG 3.94Å; Y651-F774 AromaticContact CD2-CZ 3.12Å; Y651-F774 HydrophobicContact CD2-CZ 3.12Å; Y651-F774 HydrophobicContact CE2-CB 4.23Å; Y651-F774 AromaticContact CE2-CD1 3.46Å; Y651-F774 HydrophobicContact CE2-CD1 3.46Å; Y651-F774 VanDerWaalsContact CE2-CD1 3.46Å; Y651-F774 AromaticContact CE2-CD2 3.46Å; Y651-F774 HydrophobicContact CE2-CD2 3.46Å; Y651-F774 VanDerWaalsContact CE2-CD2 3.46Å; Y651-F774 AromaticContact CE2-CE1 3.59Å; Y651-F774 HydrophobicContact CE2-CE1 3.59Å; Y651-F774 AromaticContact CE2-CE2 3.6Å; Y651-F774 HydrophobicContact CE2-CE2 3.6Å; Y651-F774 AromaticContact CE2-CG 3.39Å; Y651-F774 HydrophobicContact CE2-CG 3.39Å; Y651-F774 AromaticContact CE2-CZ 3.68Å; Y651-F774 HydrophobicContact CE2-CZ 3.68Å; Y651-F774 HydrophobicContact CG-CD1 4.5Å; Y651-F774 AromaticContact CG-CE1 3.87Å; Y651-F774 HydrophobicContact CG-CE1 3.87Å; Y651-F774 HydrophobicContact CG-CE2 4.44Å; Y651-F774 AromaticContact CG-CZ 3.86Å; Y651-F774 HydrophobicContact CG-CZ 3.86Å
652	A	90.9	Very high	92	Very high	34 Å²	34	26.1 Å²	26.1	28%	0.281	17%	0.17	S	C	.	.	H	α-helix	trans	-65.1	-38.8	179.7	0	0	0	0	0	114.7	I648 G654 I655 G656	I648-A652 HydrophobicContact CD1-CB 3.92Å; I648-A652 HydrophobicContact CG1-CB 4.27Å; I648-A652 WeakPolarHBondContact O-CB 3.31Å; I648-A652 PolarHBondContact O-N 3.4Å; A652-G654 PolarHBondContact O-N 2.97Å; A652-I655 WeakPolarHBondContact O-CG2 3.46Å; A652-I655 PolarHBondContact O-N 3.23Å; A652-I655 VanDerWaalsContact O-N 3.16Å; A652-G656 PolarHBondContact O-N 3.49Å; A652-G656 VanDerWaalsContact O-N 3.16Å
653	P	93	Very high	92.1	Very high	64 Å²	64	28.9 Å²	28.9	42%	0.416	18%	0.184	S	C	.	.	H	α-helix	trans	-56.4	-36	175.3	-28.1	36.3	0	0	0	113.5	G649 I650 I655 G656 L657	G649-P653 WeakPolarHBondContact O-CD 3.23Å; I650-P653 WeakPolarHBondContact O-CD 3.32Å; P653-I655 VanDerWaalsContact C-N 3.34Å; P653-I655 PolarHBondContact O-N 2.83Å; P653-G656 PolarHBondContact O-N 3.36Å; P653-L657 PolarHBondContact O-N 3.2Å; P653-L657 VanDerWaalsContact O-N 3.08Å
654	G	91.9	Very high	92.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.6	-41.8	177.5	0	0	0	0	0	112.8	Y651 A652 L657 L658	Y651-G654 PolarHBondContact O-N 2.98Å; A652-G654 PolarHBondContact O-N 2.97Å; G654-L657 PolarHBondContact O-N 2.85Å; G654-L658 PolarHBondContact O-N 3.34Å
655	I	93.4	Very high	92.2	Very high	12 Å²	12	28.6 Å²	28.6	6%	0.062	18%	0.181	C	C	.	.	H	α-helix	trans	-73.8	-33.3	178.7	-160.9	142.2	0	0	0	111.2	Y317 A652 P653 L657 L658 L659 F774 L778	Y317-I655 PolarHBondContact OH-N 3.31Å; A652-I655 WeakPolarHBondContact O-CG2 3.46Å; A652-I655 PolarHBondContact O-N 3.23Å; A652-I655 VanDerWaalsContact O-N 3.16Å; P653-I655 VanDerWaalsContact C-N 3.34Å; P653-I655 PolarHBondContact O-N 2.83Å; I655-L657 VanDerWaalsContact C-N 3.3Å; I655-L657 PolarHBondContact O-N 3.41Å; I655-L658 PolarHBondContact O-N 3.24Å; I655-L659 HydrophobicContact CG1-CD1 4.24Å; I655-L659 HydrophobicContact CG1-CG 4.36Å; I655-L659 WeakPolarHBondContact O-CB 3.47Å; I655-L659 VanDerWaalsContact O-CG 3.29Å; I655-L659 WeakPolarHBondContact O-CG 3.26Å; I655-L659 PolarHBondContact O-N 3.35Å; I655-F774 HydrophobicContact CB-CE2 4.23Å; I655-F774 HydrophobicContact CD1-CD2 4.3Å; I655-F774 HydrophobicContact CD1-CE2 3.91Å; I655-F774 HydrophobicContact CG2-CE2 4.25Å; I655-L778 HydrophobicContact CD1-CB 4.33Å
656	G	94.2	Very high	92.1	Very high	39 Å²	39	28.1 Å²	28.1	40%	0.402	18%	0.18	S	C	.	.	H	α-helix	trans	-57.3	-41.4	171.3	0	0	0	0	0	112.6	A652 P653 L659 L660	A652-G656 PolarHBondContact O-N 3.49Å; A652-G656 VanDerWaalsContact O-N 3.16Å; P653-G656 PolarHBondContact O-N 3.36Å; G656-L659 PolarHBondContact O-N 2.86Å; G656-L660 WeakPolarHBondContact O-CB 3.18Å; G656-L660 PolarHBondContact O-N 3.09Å
657	L	95.4	Very high	91.9	Very high	49 Å²	49	30.5 Å²	30.5	26%	0.257	19%	0.194	S	C	.	.	H	α-helix	trans	-65.7	-36.5	176.2	-69.3	173.8	0	0	0	112.9	S309 C312 P653 G654 I655	S309-L657 PolarHBondContact OG-O 3.24Å; C312-L657 HydrophobicContact CB-CD1 4.27Å; P653-L657 PolarHBondContact O-N 3.2Å; P653-L657 VanDerWaalsContact O-N 3.08Å; G654-L657 PolarHBondContact O-N 2.85Å; I655-L657 VanDerWaalsContact C-N 3.3Å; I655-L657 PolarHBondContact O-N 3.41Å
658	L	95.1	Very high	91.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-71.9	-39.8	175.9	-64	174.3	0	0	0	111.8	Y310 I314 Y317 G654 I655 L660 V661 P662 L778	Y310-L658 HydrophobicContact CD2-CD2 3.64Å; Y310-L658 HydrophobicContact CE2-CD2 3.96Å; Y310-L658 HydrophobicContact CG-CD2 4.44Å; I314-L658 HydrophobicContact CG1-CD2 4.47Å; Y317-L658 HydrophobicContact CE2-CD1 4.03Å; G654-L658 PolarHBondContact O-N 3.34Å; I655-L658 PolarHBondContact O-N 3.24Å; L658-L660 VanDerWaalsContact C-N 3.28Å; L658-L660 PolarHBondContact O-N 3.41Å; L658-V661 WeakPolarHBondContact O-CB 2.83Å; L658-V661 VanDerWaalsContact O-CG2 3.24Å; L658-V661 WeakPolarHBondContact O-CG2 3.38Å; L658-V661 PolarHBondContact O-N 3.35Å; L658-P662 VanDerWaalsContact O-CD 3.31Å; L658-P662 WeakPolarHBondContact O-CD 3.33Å; L658-L778 HydrophobicContact CD1-CD1 3.81Å
659	L	94.7	Very high	91.7	Very high	23 Å²	23	29.2 Å²	29.2	12%	0.12	19%	0.186	C	C	.	.	H	α-helix	trans	-70.3	-24	176.1	-70.4	171.9	0	0	0	113.1	I655 G656 V661 P662 L663 V766 A767	I655-L659 HydrophobicContact CG1-CD1 4.24Å; I655-L659 HydrophobicContact CG1-CG 4.36Å; I655-L659 WeakPolarHBondContact O-CB 3.47Å; I655-L659 VanDerWaalsContact O-CG 3.29Å; I655-L659 WeakPolarHBondContact O-CG 3.26Å; I655-L659 PolarHBondContact O-N 3.35Å; G656-L659 PolarHBondContact O-N 2.86Å; L659-V661 PolarHBondContact O-N 3.08Å; L659-P662 WeakPolarHBondContact O-CD 3.4Å; L659-P662 WeakPolarHBondContact O-CG 3.45Å; L659-L663 PolarHBondContact O-N 3.33Å; L659-V766 HydrophobicContact CD2-CB 3.87Å; L659-V766 HydrophobicContact CD2-CG1 3.73Å; L659-A767 HydrophobicContact CD1-CB 3.8Å; L659-A767 HydrophobicContact CD2-CB 4.23Å
660	L	94.1	Very high	91.6	Very high	60 Å²	60	32 Å²	32	31%	0.314	18%	0.179	S	C	.	.	H	α-helix	trans	-64.4	-27.6	173.8	-173.1	61.4	0	0	0	111.9	G656 L658 L663 L664	G656-L660 WeakPolarHBondContact O-CB 3.18Å; G656-L660 PolarHBondContact O-N 3.09Å; L658-L660 VanDerWaalsContact C-N 3.28Å; L658-L660 PolarHBondContact O-N 3.41Å; L660-L663 HydrophobicContact CD1-CD2 4.4Å; L660-L663 PolarHBondContact O-N 2.91Å; L660-L664 HydrophobicContact CD1-CD1 4.23Å; L660-L664 HydrophobicContact CD1-CD2 4.29Å; L660-L664 HydrophobicContact CD1-CG 3.89Å; L660-L664 HydrophobicContact CD2-CD1 4.18Å; L660-L664 HydrophobicContact CG-CD1 3.71Å; L660-L664 HydrophobicContact CG-CG 3.89Å; L660-L664 WeakPolarHBondContact O-CB 3.42Å; L660-L664 WeakPolarHBondContact O-CG 3.44Å; L660-L664 PolarHBondContact O-N 3.04Å
661	V	95.3	Very high	91.3	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.03	18%	0.176	C	C	.	.	H	α-helix	trans	-60	-58.9	-179.1	-174.3	0	0	0	0	112	A306 S309 Y310 L658 L659 L663 L664 Q665 V785 T789	A306-V661 HydrophobicContact CB-CG1 4.04Å; S309-V661 VanDerWaalsContact OG-CG2 3.24Å; S309-V661 WeakPolarHBondContact OG-CG2 3.17Å; Y310-V661 HydrophobicContact CD2-CG2 4.32Å; L658-V661 WeakPolarHBondContact O-CB 2.83Å; L658-V661 VanDerWaalsContact O-CG2 3.24Å; L658-V661 WeakPolarHBondContact O-CG2 3.38Å; L658-V661 PolarHBondContact O-N 3.35Å; L659-V661 PolarHBondContact O-N 3.08Å; V661-L663 VanDerWaalsContact C-N 3.3Å; V661-L663 PolarHBondContact O-N 3.16Å; V661-L664 PolarHBondContact O-N 3.42Å; V661-Q665 WeakPolarHBondContact O-CG 3.47Å; V661-Q665 PolarHBondContact O-N 3.19Å; V661-V785 HydrophobicContact CB-CG1 3.74Å; V661-V785 HydrophobicContact CG1-CG1 3.88Å; V661-V785 HydrophobicContact CG2-CG1 4.4Å; V661-T789 HydrophobicContact CG1-CG2 4.17Å
662	P	94.1	Very high	90.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-68.3	-31.4	179.2	30.3	-37.2	0	0	0	111.7	L658 L659 Q665 A666 L759 L762 T763 V785 T789	L658-P662 VanDerWaalsContact O-CD 3.31Å; L658-P662 WeakPolarHBondContact O-CD 3.33Å; L659-P662 WeakPolarHBondContact O-CD 3.4Å; L659-P662 WeakPolarHBondContact O-CG 3.45Å; P662-Q665 PolarHBondContact O-N 3.39Å; P662-A666 WeakPolarHBondContact O-CB 3.34Å; P662-A666 PolarHBondContact O-N 3.43Å; P662-L759 HydrophobicContact CB-CD2 4.24Å; P662-L762 HydrophobicContact CB-CD2 4.45Å; P662-T763 VanDerWaalsContact CB-OG1 3.29Å; P662-T763 WeakPolarHBondContact CB-OG1 3.23Å; P662-T763 HydrophobicContact CG-CG2 4.28Å; P662-T763 VanDerWaalsContact CG-OG1 3.24Å; P662-T763 WeakPolarHBondContact CG-OG1 3.39Å; P662-V785 HydrophobicContact CG-CG1 4.27Å; P662-V785 HydrophobicContact CG-CG2 4.4Å; P662-T789 HydrophobicContact CB-CG2 3.97Å
663	L	93.4	Very high	90.1	Very high	75 Å²	75	33.5 Å²	33.5	39%	0.393	18%	0.184	S	C	.	.	H	α-helix	trans	-64.4	-44.6	176.9	-175.3	62.5	0	0	0	112.6	L659 L660 V661 Q665 A666 T667 T763	L659-L663 PolarHBondContact O-N 3.33Å; L660-L663 HydrophobicContact CD1-CD2 4.4Å; L660-L663 PolarHBondContact O-N 2.91Å; V661-L663 VanDerWaalsContact C-N 3.3Å; V661-L663 PolarHBondContact O-N 3.16Å; L663-Q665 VanDerWaalsContact C-N 3.33Å; L663-A666 PolarHBondContact O-N 3.17Å; L663-T667 WeakPolarHBondContact O-CB 3.41Å; L663-T667 PolarHBondContact O-N 3.4Å; L663-T667 PolarHBondContact O-OG1 3.44Å; L663-T763 HydrophobicContact CB-CG2 4.22Å
664	L	91.9	Very high	89.1	Confident	23 Å²	23	33.4 Å²	33.4	12%	0.12	18%	0.183	C	C	.	.	H	α-helix	trans	-64.5	-39.8	175.9	-75	173.4	0	0	0	111.3	L305 L660 V661 T667 K668	L305-L664 HydrophobicContact CB-CD1 4.1Å; L305-L664 HydrophobicContact CD2-CD1 3.59Å; L305-L664 HydrophobicContact CD2-CD2 3.83Å; L305-L664 HydrophobicContact CD2-CG 4.38Å; L305-L664 HydrophobicContact CG-CD1 3.54Å; L660-L664 HydrophobicContact CD1-CD1 4.23Å; L660-L664 HydrophobicContact CD1-CD2 4.29Å; L660-L664 HydrophobicContact CD1-CG 3.89Å; L660-L664 HydrophobicContact CD2-CD1 4.18Å; L660-L664 HydrophobicContact CG-CD1 3.71Å; L660-L664 HydrophobicContact CG-CG 3.89Å; L660-L664 WeakPolarHBondContact O-CB 3.42Å; L660-L664 WeakPolarHBondContact O-CG 3.44Å; L660-L664 PolarHBondContact O-N 3.04Å; V661-L664 PolarHBondContact O-N 3.42Å; L664-T667 PolarHBondContact O-N 3.14Å; L664-K668 WeakPolarHBondContact O-CB 3.32Å; L664-K668 PolarHBondContact O-N 3.38Å
665	Q	90.6	Very high	87.9	Confident	27 Å²	27	36.7 Å²	36.7	13%	0.126	21%	0.206	C	C	.	.	H	α-helix	trans	-67.5	-41.4	176.9	-71.9	-65.4	-23.6	0	0	112	N303 A306 V661 P662 L663 K668 C669 L759 T789	N303-Q665 PolarHBondContact OD1-NE2 2.96Å; A306-Q665 HydrophobicContact CB-CG 4.25Å; V661-Q665 WeakPolarHBondContact O-CG 3.47Å; V661-Q665 PolarHBondContact O-N 3.19Å; P662-Q665 PolarHBondContact O-N 3.39Å; L663-Q665 VanDerWaalsContact C-N 3.33Å; Q665-K668 PolarHBondContact O-N 3.16Å; Q665-C669 WeakPolarHBondContact O-CB 3.47Å; Q665-C669 PolarHBondContact O-N 3.03Å; Q665-L759 HydrophobicContact CB-CD1 3.8Å; Q665-T789 HydrophobicContact CG-CG2 4.31Å
666	A	89.8	Confident	86.1	Confident	2 Å²	2	42.6 Å²	42.6	2%	0.017	24%	0.237	C	C	.	.	H	α-helix	trans	-61.5	-48.5	173.6	0	0	0	0	0	110.9	P662 L663 K668 C669 W670 F756 L759	P662-A666 WeakPolarHBondContact O-CB 3.34Å; P662-A666 PolarHBondContact O-N 3.43Å; L663-A666 PolarHBondContact O-N 3.17Å; A666-K668 VanDerWaalsContact C-N 3.33Å; A666-K668 PolarHBondContact O-N 3.15Å; A666-C669 WeakPolarHBondContact O-CB 3.35Å; A666-C669 PolarHBondContact O-N 3.46Å; A666-C669 VanDerWaalsContact O-N 3.13Å; A666-W670 PolarHBondContact O-N 3.05Å; A666-F756 HydrophobicContact CB-CD2 3.99Å; A666-F756 HydrophobicContact CB-CE2 4.15Å; A666-F756 VanDerWaalsContact O-CD2 3.24Å; A666-F756 WeakPolarHBondContact O-CD2 3.15Å; A666-L759 HydrophobicContact CB-CB 3.94Å
667	T	89.1	Confident	84	Confident	52 Å²	52	43.2 Å²	43.2	32%	0.319	23%	0.232	S	C	.	.	H	α-helix	trans	-59.2	-44.3	177.6	-55.3	0	0	0	0	111.5	L663 L664 C669 W670 L671	L663-T667 WeakPolarHBondContact O-CB 3.41Å; L663-T667 PolarHBondContact O-N 3.4Å; L663-T667 PolarHBondContact O-OG1 3.44Å; L664-T667 PolarHBondContact O-N 3.14Å; T667-C669 PolarHBondContact O-N 2.88Å; T667-W670 PolarHBondContact O-N 3.49Å; T667-L671 HydrophobicContact CG2-CD1 4.05Å; T667-L671 HydrophobicContact CG2-CG 4.38Å; T667-L671 WeakPolarHBondContact O-CB 3.43Å; T667-L671 VanDerWaalsContact O-CG 3.3Å; T667-L671 WeakPolarHBondContact O-CG 3.41Å; T667-L671 PolarHBondContact O-N 2.9Å
668	K	88.6	Confident	82	Confident	41 Å²	41	43 Å²	43	18%	0.178	24%	0.241	C	C	.	.	H	α-helix	trans	-59.2	-48	174.7	175.7	-179.8	169.4	173	0	111.2	N303 L664 Q665 A666 W670 L671 T672	N303-K668 PolarHBondContact ND2-NZ 3.02Å; N303-K668 PolarHBondContact OD1-NZ 3.39Å; L664-K668 WeakPolarHBondContact O-CB 3.32Å; L664-K668 PolarHBondContact O-N 3.38Å; Q665-K668 PolarHBondContact O-N 3.16Å; A666-K668 VanDerWaalsContact C-N 3.33Å; A666-K668 PolarHBondContact O-N 3.15Å; K668-W670 VanDerWaalsContact C-N 3.31Å; K668-W670 PolarHBondContact O-N 3.2Å; K668-L671 PolarHBondContact O-N 2.88Å; K668-T672 HydrophobicContact CG-CG2 4.49Å; K668-T672 WeakPolarHBondContact O-CG2 3.45Å; K668-T672 PolarHBondContact O-N 3.04Å; K668-T672 PolarHBondContact O-OG1 3.25Å; K668-T672 VanDerWaalsContact O-OG1 3.06Å
669	C	84.5	Confident	79.8	Confident	17 Å²	17	51.6 Å²	51.6	12%	0.115	28%	0.281	C	S	.	.	H	α-helix	trans	-57.9	-44.9	179.8	-162.7	0	0	0	0	111.3	Q665 A666 T667 T672 L673 A752 F756	Q665-C669 WeakPolarHBondContact O-CB 3.47Å; Q665-C669 PolarHBondContact O-N 3.03Å; A666-C669 WeakPolarHBondContact O-CB 3.35Å; A666-C669 PolarHBondContact O-N 3.46Å; A666-C669 VanDerWaalsContact O-N 3.13Å; T667-C669 PolarHBondContact O-N 2.88Å; C669-T672 PolarHBondContact O-OG1 2.9Å; C669-L673 VanDerWaalsContact O-CG 3.3Å; C669-L673 WeakPolarHBondContact O-CG 3.45Å; C669-L673 PolarHBondContact O-N 3.02Å; C669-L673 VanDerWaalsContact O-N 3.15Å; C669-A752 PolarHBondContact SG-O 3.25Å; C669-F756 HydrophobicContact CB-CB 4.27Å
670	W	84	Confident	77.5	Confident	117 Å²	117	55.1 Å²	55.1	44%	0.443	31%	0.307	S	S	.	.	H	α-helix	trans	-63.3	-47.2	174.9	-179.3	-106.9	0	0	0	112.8	A666 T667 K668 T672 L673 T674 F756	A666-W670 PolarHBondContact O-N 3.05Å; T667-W670 PolarHBondContact O-N 3.49Å; K668-W670 VanDerWaalsContact C-N 3.31Å; K668-W670 PolarHBondContact O-N 3.2Å; W670-T672 VanDerWaalsContact C-N 3.34Å; W670-T672 PolarHBondContact O-N 3.48Å; W670-L673 WeakPolarHBondContact O-CA 3.08Å; W670-L673 WeakPolarHBondContact O-CB 3.33Å; W670-L673 PolarHBondContact O-N 3.49Å; W670-T674 HydrophobicContact CD2-CG2 4.32Å; W670-T674 HydrophobicContact CZ2-CG2 4.04Å; W670-T674 PolarHBondContact O-N 2.98Å; W670-T674 PolarHBondContact O-OG1 3.28Å; W670-F756 HydrophobicContact CB-CD2 4.02Å; W670-F756 HydrophobicContact CB-CE2 3.79Å; W670-F756 HydrophobicContact CB-CZ 4.32Å; W670-F756 HydrophobicContact CD2-CZ 4.4Å; W670-F756 HydrophobicContact CE3-CD1 4.22Å; W670-F756 AromaticContact CE3-CE1 3.91Å; W670-F756 HydrophobicContact CE3-CE1 3.91Å; W670-F756 HydrophobicContact CE3-CZ 4.11Å; W670-F756 HydrophobicContact CG-CE2 4.42Å; W670-F756 HydrophobicContact CZ3-CE1 4.39Å
671	L	83.4	Confident	75.7	Confident	19 Å²	19	55 Å²	55	10%	0.099	31%	0.305	C	S	.	.	H	α-helix	trans	-62.1	-41.9	-179.3	-73.7	175	0	0	0	112.1	K295 I298 I299 T667 K668 L673 T674 S675	K295-L671 HydrophobicContact CD-CD2 4.31Å; K295-L671 HydrophobicContact CG-CD2 3.95Å; I298-L671 HydrophobicContact CB-CD1 4.08Å; I298-L671 HydrophobicContact CD1-CD1 4.3Å; I298-L671 HydrophobicContact CG2-CD1 3.83Å; I299-L671 HydrophobicContact CD1-CB 4.17Å; I299-L671 HydrophobicContact CG1-CB 4.05Å; T667-L671 HydrophobicContact CG2-CD1 4.05Å; T667-L671 HydrophobicContact CG2-CG 4.38Å; T667-L671 WeakPolarHBondContact O-CB 3.43Å; T667-L671 VanDerWaalsContact O-CG 3.3Å; T667-L671 WeakPolarHBondContact O-CG 3.41Å; T667-L671 PolarHBondContact O-N 2.9Å; K668-L671 PolarHBondContact O-N 2.88Å; L671-L673 PolarHBondContact O-N 3.41Å; L671-T674 PolarHBondContact O-N 3.16Å; L671-T674 VanDerWaalsContact O-N 3.1Å; L671-T674 PolarHBondContact O-OG1 3.01Å; L671-S675 WeakPolarHBondContact O-CB 3.16Å; L671-S675 PolarHBondContact O-N 3.39Å; L671-S675 PolarHBondContact O-OG 2.82Å
672	T	80.7	Confident	73.8	Confident	59 Å²	59	58.4 Å²	58.4	36%	0.362	33%	0.329	S	S	.	.	H	α-helix	trans	-64.7	-29.9	175	50.6	0	0	0	0	112.8	I299 K668 C669 W670 S675	I299-T672 HydrophobicContact CG1-CG2 4.33Å; I299-T672 HydrophobicContact CG2-CG2 4.12Å; K668-T672 HydrophobicContact CG-CG2 4.49Å; K668-T672 WeakPolarHBondContact O-CG2 3.45Å; K668-T672 PolarHBondContact O-N 3.04Å; K668-T672 PolarHBondContact O-OG1 3.25Å; K668-T672 VanDerWaalsContact O-OG1 3.06Å; C669-T672 PolarHBondContact O-OG1 2.9Å; W670-T672 VanDerWaalsContact C-N 3.34Å; W670-T672 PolarHBondContact O-N 3.48Å; T672-S675 PolarHBondContact O-OG 2.94Å
673	L	75.7	Confident	71.7	Confident	19 Å²	19	61 Å²	61	10%	0.099	35%	0.351	C	S	.	.	H	α-helix	trans	-69.9	-40.1	171.6	-72.6	164.5	0	0	0	110.5	C669 W670 L671 K685 A752 L753	C669-L673 VanDerWaalsContact O-CG 3.3Å; C669-L673 WeakPolarHBondContact O-CG 3.45Å; C669-L673 PolarHBondContact O-N 3.02Å; C669-L673 VanDerWaalsContact O-N 3.15Å; W670-L673 WeakPolarHBondContact O-CA 3.08Å; W670-L673 WeakPolarHBondContact O-CB 3.33Å; W670-L673 PolarHBondContact O-N 3.49Å; L671-L673 PolarHBondContact O-N 3.41Å; L673-K685 PolarHBondContact O-NZ 3.17Å; L673-A752 HydrophobicContact CD1-CB 4.34Å; L673-A752 HydrophobicContact CD2-CB 3.86Å; L673-A752 HydrophobicContact CG-CB 4.35Å; L673-L753 HydrophobicContact CD1-CD1 4.28Å
674	T	71.8	Confident	69.9	Low	63 Å²	63	61.6 Å²	61.6	39%	0.387	35%	0.354	S	S	.	.	H	α-helix	trans	-81.2	-22.8	-176.7	60.6	0	0	0	0	115.4	W670 L671 N676	W670-T674 HydrophobicContact CD2-CG2 4.32Å; W670-T674 HydrophobicContact CZ2-CG2 4.04Å; W670-T674 PolarHBondContact O-N 2.98Å; W670-T674 PolarHBondContact O-OG1 3.28Å; L671-T674 PolarHBondContact O-N 3.16Å; L671-T674 VanDerWaalsContact O-N 3.1Å; L671-T674 PolarHBondContact O-OG1 3.01Å; T674-N676 PolarHBondContact O-N 3.31Å
675	S	65.7	Low	68.2	Low	68 Å²	68	62.3 Å²	62.3	48%	0.476	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-21.4	-167.8	60.2	0	0	0	0	115.6	L671 T672	L671-S675 WeakPolarHBondContact O-CB 3.16Å; L671-S675 PolarHBondContact O-N 3.39Å; L671-S675 PolarHBondContact O-OG 2.82Å; T672-S675 PolarHBondContact O-OG 2.94Å
676	N	56.6	Low	66.5	Low	136 Å²	136	63.6 Å²	63.6	73%	0.727	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-1.5	-168.7	-78.9	9.7	0	0	0	115.1	T674	T674-N676 PolarHBondContact O-N 3.31Å
677	D	49.5	Very low	64.9	Low	53 Å²	53	69.3 Å²	69.3	28%	0.283	40%	0.401	S	S	.	.			trans	-130.1	144.9	-151.2	-80.4	27.1	0	0	0	115.7	Q681 K685	D677-Q681 HydrophobicContact CB-CB 3.87Å; D677-Q681 HydrophobicContact CB-CG 4.49Å; D677-Q681 PolarHBondContact OD1-OE1 3.3Å; D677-Q681 WeakPolarHBondContact OD2-CB 3.19Å; D677-Q681 PolarHBondContact OD2-OE1 2.97Å; D677-K685 VanDerWaalsContact CG-NZ 3.28Å; D677-K685 VanDerWaalsContact OD2-CE 3.26Å; D677-K685 WeakPolarHBondContact OD2-CE 3.18Å; D677-K685 IonicContact OD2-NZ 3.58Å; D677-K685 PolarHBondContact OD2-NZ 3.34Å
678	G	53.1	Low	63.5	Low	43 Å²	43	68.5 Å²	68.5	44%	0.443	40%	0.397	S	S	.	.			trans	-83.4	172.5	172.9	0	0	0	0	0	113.6	S680 Q681	G678-S680 VanDerWaalsContact C-N 3.31Å; G678-S680 PolarHBondContact O-N 3.38Å; G678-Q681 PolarHBondContact O-N 2.78Å; G678-Q681 VanDerWaalsContact O-N 3.13Å
679	E	49.1	Very low	62.2	Low	182 Å²	182	69 Å²	69	85%	0.85	40%	0.399	S	S	*	.	H	α-helix	trans	-53.6	-40.3	-173.8	-76.8	-178.9	157.7	0	0	113.9	Q681 S682	E679-Q681 VanDerWaalsContact C-N 3.31Å; E679-Q681 PolarHBondContact O-N 3.42Å; E679-S682 WeakPolarHBondContact O-CB 3.41Å; E679-S682 PolarHBondContact O-N 3.42Å; E679-S682 PolarHBondContact O-OG 3.16Å
680	S	47.3	Very low	61.1	Low	96 Å²	96	73.4 Å²	73.4	67%	0.671	42%	0.419	S	S	*	.	H	α-helix	trans	-64.8	-30.4	-178.2	56.7	0	0	0	0	113.9	G678	G678-S680 VanDerWaalsContact C-N 3.31Å; G678-S680 PolarHBondContact O-N 3.38Å
681	Q	54.9	Low	60.1	Low	58 Å²	58	70.6 Å²	70.6	27%	0.271	42%	0.416	S	S	.	.	H	α-helix	trans	-77.9	-23.7	179.2	-71.1	167.2	-43.5	0	0	112.6	D677 G678 E679 L684 K685 W745	D677-Q681 HydrophobicContact CB-CB 3.87Å; D677-Q681 HydrophobicContact CB-CG 4.49Å; D677-Q681 PolarHBondContact OD1-OE1 3.3Å; D677-Q681 WeakPolarHBondContact OD2-CB 3.19Å; D677-Q681 PolarHBondContact OD2-OE1 2.97Å; G678-Q681 PolarHBondContact O-N 2.78Å; G678-Q681 VanDerWaalsContact O-N 3.13Å; E679-Q681 VanDerWaalsContact C-N 3.31Å; E679-Q681 PolarHBondContact O-N 3.42Å; Q681-L684 PolarHBondContact O-N 2.92Å; Q681-K685 WeakPolarHBondContact O-CG 2.88Å; Q681-K685 PolarHBondContact O-N 2.8Å; Q681-W745 HydrophobicContact CG-CH2 4.37Å
682	S	55.3	Low	59.2	Low	76 Å²	76	69.7 Å²	69.7	53%	0.531	41%	0.412	S	S	.	.	H	α-helix	trans	-65.5	-39.6	177.2	74.3	0	0	0	0	112.1	E679 K685 A686	E679-S682 WeakPolarHBondContact O-CB 3.41Å; E679-S682 PolarHBondContact O-N 3.42Å; E679-S682 PolarHBondContact O-OG 3.16Å; S682-K685 PolarHBondContact O-N 3.4Å; S682-A686 PolarHBondContact O-N 3.21Å; S682-A686 VanDerWaalsContact O-N 3.07Å
683	A	51.1	Low	58.5	Low	55 Å²	55	69.7 Å²	69.7	46%	0.455	41%	0.409	S	S	.	.	H	α-helix	trans	-64.2	-44.8	176.9	0	0	0	0	0	111.9	K685 A686 I687	A683-K685 VanDerWaalsContact C-N 3.3Å; A683-K685 PolarHBondContact O-N 3.38Å; A683-A686 PolarHBondContact O-N 2.97Å; A683-I687 VanDerWaalsContact O-CG1 3.31Å; A683-I687 WeakPolarHBondContact O-CG1 3.36Å; A683-I687 PolarHBondContact O-N 3.49Å
684	L	55	Low	57.9	Low	87 Å²	87	72.9 Å²	72.9	46%	0.455	43%	0.425	S	S	.	.	H	α-helix	trans	-59.9	-37	175.8	-93	150.4	0	0	0	112.8	Q681 I687 S688	Q681-L684 PolarHBondContact O-N 2.92Å; L684-I687 PolarHBondContact O-N 2.91Å; L684-S688 PolarHBondContact O-N 3.48Å; L684-S688 VanDerWaalsContact O-N 3.14Å
685	K	57.3	Low	57.4	Low	38 Å²	38	75.9 Å²	75.9	17%	0.165	43%	0.43	C	S	.	.	H	α-helix	trans	-69.1	-41.4	175.3	-73	173.2	-174	162.5	0	112.6	L673 D677 Q681 S682 A683 I687 S688 F689	L673-K685 PolarHBondContact O-NZ 3.17Å; D677-K685 VanDerWaalsContact CG-NZ 3.28Å; D677-K685 VanDerWaalsContact OD2-CE 3.26Å; D677-K685 WeakPolarHBondContact OD2-CE 3.18Å; D677-K685 IonicContact OD2-NZ 3.58Å; D677-K685 PolarHBondContact OD2-NZ 3.34Å; Q681-K685 WeakPolarHBondContact O-CG 2.88Å; Q681-K685 PolarHBondContact O-N 2.8Å; S682-K685 PolarHBondContact O-N 3.4Å; A683-K685 VanDerWaalsContact C-N 3.3Å; A683-K685 PolarHBondContact O-N 3.38Å; K685-I687 VanDerWaalsContact C-N 3.27Å; K685-I687 PolarHBondContact O-N 2.72Å; K685-S688 PolarHBondContact O-N 3.13Å; K685-F689 WeakPolarHBondContact O-CB 3.44Å; K685-F689 PolarHBondContact O-N 3.34Å
686	A	55	Low	57.4	Low	55 Å²	55	72.8 Å²	72.8	46%	0.455	41%	0.408	S	S	.	.	H	α-helix	trans	-59.9	-41.1	175.8	0	0	0	0	0	111.3	S682 A683 S688 F689 M690	S682-A686 PolarHBondContact O-N 3.21Å; S682-A686 VanDerWaalsContact O-N 3.07Å; A683-A686 PolarHBondContact O-N 2.97Å; A686-S688 PolarHBondContact O-N 3.13Å; A686-F689 PolarHBondContact O-N 2.89Å; A686-M690 PolarHBondContact O-N 3.38Å
687	I	54.4	Low	57.7	Low	122 Å²	122	68.7 Å²	68.7	63%	0.626	39%	0.389	S	S	*	.	H	α-helix	trans	-63.8	-39.4	176.5	-64.9	163.6	0	0	0	111.5	A683 L684 K685 P691	A683-I687 VanDerWaalsContact O-CG1 3.31Å; A683-I687 WeakPolarHBondContact O-CG1 3.36Å; A683-I687 PolarHBondContact O-N 3.49Å; L684-I687 PolarHBondContact O-N 2.91Å; K685-I687 VanDerWaalsContact C-N 3.27Å; K685-I687 PolarHBondContact O-N 2.72Å; I687-P691 WeakPolarHBondContact O-CD 3.36Å; I687-P691 WeakPolarHBondContact O-CG 3.43Å
688	S	60.9	Low	58.3	Low	34 Å²	34	70.7 Å²	70.7	24%	0.238	40%	0.399	C	S	.	.	H	α-helix	trans	-76.7	-21.5	176.1	-171.8	0	0	0	0	113.8	L684 K685 A686 V692 H750	L684-S688 PolarHBondContact O-N 3.48Å; L684-S688 VanDerWaalsContact O-N 3.14Å; K685-S688 PolarHBondContact O-N 3.13Å; A686-S688 PolarHBondContact O-N 3.13Å; S688-V692 WeakPolarHBondContact O-CG2 3.36Å; S688-H750 PolarHBondContact OG-ND1 2.93Å
689	F	61.9	Low	58.6	Low	51 Å²	51	68.8 Å²	68.8	22%	0.224	38%	0.378	C	S	.	.	H	α-helix	trans	-73.4	-45.9	-177.5	-178.1	-105.1	0	0	0	112.9	K685 A686 V692 L693 L753 F756 V757	K685-F689 WeakPolarHBondContact O-CB 3.44Å; K685-F689 PolarHBondContact O-N 3.34Å; A686-F689 PolarHBondContact O-N 2.89Å; F689-V692 PolarHBondContact O-N 3.45Å; F689-L693 HydrophobicContact CE1-CB 4.4Å; F689-L693 HydrophobicContact CE1-CD2 3.82Å; F689-L693 HydrophobicContact CZ-CD2 4.19Å; F689-L693 WeakPolarHBondContact O-CB 3.13Å; F689-L693 PolarHBondContact O-N 2.99Å; F689-L753 HydrophobicContact CB-CD2 3.85Å; F689-L753 HydrophobicContact CD2-CD1 3.73Å; F689-L753 HydrophobicContact CD2-CD2 4.12Å; F689-L753 HydrophobicContact CD2-CG 3.94Å; F689-F756 HydrophobicContact CE2-CD1 4.32Å; F689-F756 HydrophobicContact CE2-CE1 4.07Å; F689-V757 HydrophobicContact CD2-CG2 4.18Å; F689-V757 HydrophobicContact CE2-CG2 3.65Å
690	M	60.5	Low	59.1	Low	111 Å²	111	62.2 Å²	62.2	55%	0.547	35%	0.347	S	S	.	.	H	α-helix	trans	-59.4	-46.9	-175.3	-67.4	-62.5	179.8	0	0	112.5	A686 V692 L693 I694	A686-M690 PolarHBondContact O-N 3.38Å; M690-V692 PolarHBondContact O-N 2.94Å; M690-L693 PolarHBondContact O-N 2.72Å; M690-I694 HydrophobicContact CB-CD1 4.43Å; M690-I694 VanDerWaalsContact O-CB 3.25Å; M690-I694 WeakPolarHBondContact O-CB 3.48Å; M690-I694 WeakPolarHBondContact O-CD1 3.24Å; M690-I694 WeakPolarHBondContact O-CG1 3.26Å; M690-I694 PolarHBondContact O-N 3.45Å
691	P	63	Low	59.8	Low	58 Å²	58	60.5 Å²	60.5	38%	0.377	34%	0.335	S	S	.	.	H	α-helix	trans	-60.2	-47.1	174.9	-23.1	33.8	0	0	0	112.2	I687 L693 I694 W695	I687-P691 WeakPolarHBondContact O-CD 3.36Å; I687-P691 WeakPolarHBondContact O-CG 3.43Å; P691-L693 VanDerWaalsContact C-N 3.34Å; P691-L693 PolarHBondContact O-N 3.16Å; P691-I694 PolarHBondContact O-N 3.25Å; P691-W695 VanDerWaalsContact O-CB 3.26Å; P691-W695 WeakPolarHBondContact O-CB 3.43Å; P691-W695 PolarHBondContact O-N 2.94Å
692	V	65.2	Low	60	Low	0 Å²	0	58.8 Å²	58.8	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-60.6	-44.5	-178.5	175.2	0	0	0	0	111.6	S688 F689 M690 L696 H750 L754 V757	S688-V692 WeakPolarHBondContact O-CG2 3.36Å; F689-V692 PolarHBondContact O-N 3.45Å; M690-V692 PolarHBondContact O-N 2.94Å; V692-L696 WeakPolarHBondContact O-CB 3.27Å; V692-L696 PolarHBondContact O-N 2.87Å; V692-H750 WeakPolarHBondContact CG2-CE1 3.3Å; V692-H750 WeakPolarHBondContact CG2-NE2 3Å; V692-L754 HydrophobicContact CG1-CB 4.37Å; V692-L754 HydrophobicContact CG1-CD1 3.87Å; V692-V757 HydrophobicContact CG1-CB 4.39Å; V692-V757 HydrophobicContact CG1-CG2 4.19Å
693	L	65.6	Low	60.2	Low	58 Å²	58	55.2 Å²	55.2	30%	0.304	31%	0.306	S	S	.	.	H	α-helix	trans	-64	-49.3	177.3	-176.4	68.2	0	0	0	111	F689 M690 P691 W695 L696 C697 V757	F689-L693 HydrophobicContact CE1-CB 4.4Å; F689-L693 HydrophobicContact CE1-CD2 3.82Å; F689-L693 HydrophobicContact CZ-CD2 4.19Å; F689-L693 WeakPolarHBondContact O-CB 3.13Å; F689-L693 PolarHBondContact O-N 2.99Å; M690-L693 PolarHBondContact O-N 2.72Å; P691-L693 VanDerWaalsContact C-N 3.34Å; P691-L693 PolarHBondContact O-N 3.16Å; L693-W695 PolarHBondContact O-N 2.99Å; L693-L696 PolarHBondContact O-N 2.88Å; L693-C697 WeakPolarHBondContact O-CB 3.33Å; L693-C697 PolarHBondContact O-N 3.37Å; L693-C697 PolarHBondContact O-SG 3.02Å; L693-V757 HydrophobicContact CD1-CG1 4.04Å
694	I	62.6	Low	60.5	Low	87 Å²	87	53.2 Å²	53.2	45%	0.446	29%	0.289	S	S	.	.	H	α-helix	trans	-59.3	-46.9	179.3	-70.3	167.9	0	0	0	110.3	M690 P691 L696 C697 I698	M690-I694 HydrophobicContact CB-CD1 4.43Å; M690-I694 VanDerWaalsContact O-CB 3.25Å; M690-I694 WeakPolarHBondContact O-CB 3.48Å; M690-I694 WeakPolarHBondContact O-CD1 3.24Å; M690-I694 WeakPolarHBondContact O-CG1 3.26Å; M690-I694 PolarHBondContact O-N 3.45Å; P691-I694 PolarHBondContact O-N 3.25Å; I694-L696 PolarHBondContact O-N 3.37Å; I694-C697 PolarHBondContact O-N 3Å; I694-I698 HydrophobicContact CG2-CD1 3.35Å; I694-I698 HydrophobicContact CG2-CG1 4.12Å; I694-I698 VanDerWaalsContact O-CB 3.26Å; I694-I698 WeakPolarHBondContact O-CB 3.41Å; I694-I698 WeakPolarHBondContact O-CG1 3.44Å; I694-I698 PolarHBondContact O-N 2.95Å
695	W	61.9	Low	60.6	Low	126 Å²	126	55.5 Å²	55.5	48%	0.477	30%	0.299	S	S	.	.	H	α-helix	trans	-73	-23.5	-177.7	-82.1	92.1	0	0	0	114.4	P691 L693 P699 A732 L736	P691-W695 VanDerWaalsContact O-CB 3.26Å; P691-W695 WeakPolarHBondContact O-CB 3.43Å; P691-W695 PolarHBondContact O-N 2.94Å; L693-W695 PolarHBondContact O-N 2.99Å; W695-P699 WeakPolarHBondContact O-CD 3.01Å; W695-P699 WeakPolarHBondContact O-CG 3.32Å; W695-A732 HydrophobicContact CE3-CB 4.29Å; W695-A732 HydrophobicContact CZ3-CB 3.94Å; W695-L736 HydrophobicContact CB-CD1 3.55Å; W695-L736 HydrophobicContact CB-CD2 3.76Å; W695-L736 HydrophobicContact CB-CG 4.17Å; W695-L736 HydrophobicContact CD2-CD1 4.19Å; W695-L736 HydrophobicContact CG-CD1 3.68Å
696	L	64.4	Low	60.4	Low	3 Å²	3	57.2 Å²	57.2	2%	0.016	31%	0.31	C	S	.	.	H	α-helix	trans	-85.1	-40	172.2	-161.6	87	0	0	0	111.2	V692 L693 I694 F700 V757 L761 A880	V692-L696 WeakPolarHBondContact O-CB 3.27Å; V692-L696 PolarHBondContact O-N 2.87Å; L693-L696 PolarHBondContact O-N 2.88Å; I694-L696 PolarHBondContact O-N 3.37Å; L696-F700 WeakPolarHBondContact O-CB 3.33Å; L696-F700 PolarHBondContact O-N 3.46Å; L696-V757 HydrophobicContact CD2-CG1 3.61Å; L696-L761 HydrophobicContact CD2-CB 4.13Å; L696-L761 HydrophobicContact CD2-CD2 3.46Å; L696-L761 VanDerWaalsContact CD2-CD2 3.46Å; L696-L761 HydrophobicContact CD2-CG 4.41Å; L696-L761 HydrophobicContact CG-CD2 3.97Å; L696-A880 HydrophobicContact CD1-CB 3.49Å; L696-A880 VanDerWaalsContact CD1-CB 3.49Å
697	C	63.9	Low	60.5	Low	49 Å²	49	55.3 Å²	55.3	33%	0.331	29%	0.292	S	S	.	.	H	α-helix	trans	-75.3	-32	-177.9	-69.5	0	0	0	0	113.1	L693 I694 F700 S701	L693-C697 WeakPolarHBondContact O-CB 3.33Å; L693-C697 PolarHBondContact O-N 3.37Å; L693-C697 PolarHBondContact O-SG 3.02Å; I694-C697 PolarHBondContact O-N 3Å; C697-F700 WeakPolarHBondContact O-CB 3.45Å; C697-F700 PolarHBondContact O-N 3.37Å; C697-S701 WeakPolarHBondContact O-CB 3.3Å; C697-S701 PolarHBondContact O-N 3.46Å; C697-S701 PolarHBondContact O-OG 3.45Å; C697-S701 VanDerWaalsContact O-OG 3.08Å
698	I	61.7	Low	60.5	Low	95 Å²	95	52.4 Å²	52.4	49%	0.487	28%	0.281	S	S	.	.	H	α-helix	trans	-64.4	-50.7	178.4	-74.5	171.2	0	0	0	111.6	I694 F700 S701 A702	I694-I698 HydrophobicContact CG2-CD1 3.35Å; I694-I698 HydrophobicContact CG2-CG1 4.12Å; I694-I698 VanDerWaalsContact O-CB 3.26Å; I694-I698 WeakPolarHBondContact O-CB 3.41Å; I694-I698 WeakPolarHBondContact O-CG1 3.44Å; I694-I698 PolarHBondContact O-N 2.95Å; I698-F700 PolarHBondContact O-N 2.86Å; I698-S701 PolarHBondContact O-N 2.79Å; I698-S701 PolarHBondContact O-OG 3.12Å; I698-S701 VanDerWaalsContact O-OG 3.08Å; I698-A702 WeakPolarHBondContact O-CB 3.42Å; I698-A702 PolarHBondContact O-N 3.01Å
699	P	59.1	Low	60.2	Low	3 Å²	3	58 Å²	58	2%	0.019	30%	0.298	C	S	.	.	H	α-helix	trans	-60.2	-36.8	173.6	-27.4	36.8	0	0	0	112.7	W695 S703 S729 A732 A733 T876	W695-P699 WeakPolarHBondContact O-CD 3.01Å; W695-P699 WeakPolarHBondContact O-CG 3.32Å; P699-S703 WeakPolarHBondContact O-CB 3.29Å; P699-S703 PolarHBondContact O-N 3.38Å; P699-S703 PolarHBondContact O-OG 3.22Å; P699-S729 WeakPolarHBondContact CB-O 3.23Å; P699-S729 WeakPolarHBondContact CG-O 3.37Å; P699-A732 HydrophobicContact CG-CB 4.44Å; P699-A733 HydrophobicContact CB-CB 4.11Å; P699-A733 HydrophobicContact CG-CB 4.04Å; P699-T876 HydrophobicContact CB-CG2 4.2Å
700	F	60.7	Low	59.7	Low	45 Å²	45	58 Å²	58	20%	0.197	30%	0.298	C	S	.	.	H	α-helix	trans	-64	-47.3	177.9	-171.8	-90.1	0	0	0	111.8	L696 C697 I698 S703 A704 L761 T765 I873 T876	L696-F700 WeakPolarHBondContact O-CB 3.33Å; L696-F700 PolarHBondContact O-N 3.46Å; C697-F700 WeakPolarHBondContact O-CB 3.45Å; C697-F700 PolarHBondContact O-N 3.37Å; I698-F700 PolarHBondContact O-N 2.86Å; F700-S703 PolarHBondContact O-OG 3.32Å; F700-S703 VanDerWaalsContact O-OG 3.1Å; F700-A704 VanDerWaalsContact O-CB 3.26Å; F700-A704 WeakPolarHBondContact O-CB 3.4Å; F700-A704 PolarHBondContact O-N 3.27Å; F700-L761 HydrophobicContact CD1-CD1 4.45Å; F700-L761 HydrophobicContact CD2-CD1 4.04Å; F700-L761 HydrophobicContact CD2-CD2 3.88Å; F700-L761 HydrophobicContact CD2-CG 4.37Å; F700-L761 HydrophobicContact CE1-CD1 4.39Å; F700-L761 HydrophobicContact CE2-CD1 3.93Å; F700-L761 HydrophobicContact CE2-CD2 4.3Å; F700-L761 HydrophobicContact CE2-CG 4.34Å; F700-L761 HydrophobicContact CG-CD1 4.3Å; F700-L761 HydrophobicContact CG-CD2 4.43Å; F700-L761 HydrophobicContact CZ-CD1 4.15Å; F700-T765 HydrophobicContact CE2-CG2 3.47Å; F700-T765 VanDerWaalsContact CE2-CG2 3.47Å; F700-T765 HydrophobicContact CZ-CG2 3.39Å; F700-I873 HydrophobicContact CD2-CG2 4.45Å; F700-I873 HydrophobicContact CE2-CB 4.4Å; F700-I873 HydrophobicContact CE2-CG2 3.42Å; F700-I873 VanDerWaalsContact CE2-CG2 3.42Å; F700-I873 HydrophobicContact CZ-CG2 3.63Å; F700-T876 HydrophobicContact CB-CG2 4.49Å
701	S	61	Low	59.4	Low	59 Å²	59	55 Å²	55	41%	0.413	29%	0.286	S	S	.	.	H	α-helix	trans	-72.5	-38.8	177.6	64.3	0	0	0	0	112.2	C697 I698 A704 M705	C697-S701 WeakPolarHBondContact O-CB 3.3Å; C697-S701 PolarHBondContact O-N 3.46Å; C697-S701 PolarHBondContact O-OG 3.45Å; C697-S701 VanDerWaalsContact O-OG 3.08Å; I698-S701 PolarHBondContact O-N 2.79Å; I698-S701 PolarHBondContact O-OG 3.12Å; I698-S701 VanDerWaalsContact O-OG 3.08Å; S701-A704 PolarHBondContact O-N 3.49Å; S701-M705 WeakPolarHBondContact O-CB 3.43Å; S701-M705 PolarHBondContact O-N 2.86Å
702	A	59.9	Low	58.8	Low	23 Å²	23	60 Å²	60	19%	0.19	30%	0.298	C	S	.	.	I	π-helix	trans	-67.1	-44.5	178.5	0	0	0	0	0	112.1	I698 A704 L706	I698-A702 WeakPolarHBondContact O-CB 3.42Å; I698-A702 PolarHBondContact O-N 3.01Å; A702-A704 VanDerWaalsContact C-N 3.3Å; A702-A704 PolarHBondContact O-N 3.28Å; A702-L706 HydrophobicContact CB-CD1 3.95Å; A702-L706 VanDerWaalsContact O-CB 3.31Å; A702-L706 WeakPolarHBondContact O-CB 3.43Å; A702-L706 PolarHBondContact O-N 2.91Å; A702-L706 VanDerWaalsContact O-N 3.13Å
703	S	59.8	Low	58.4	Low	1 Å²	1	62.9 Å²	62.9	1%	0.007	32%	0.318	C	S	.	.	I	π-helix	trans	-64.8	-36.7	176.6	63.3	0	0	0	0	111.9	P699 F700	P699-S703 WeakPolarHBondContact O-CB 3.29Å; P699-S703 PolarHBondContact O-N 3.38Å; P699-S703 PolarHBondContact O-OG 3.22Å; F700-S703 PolarHBondContact O-OG 3.32Å; F700-S703 VanDerWaalsContact O-OG 3.1Å
704	A	57.6	Low	57.7	Low	12 Å²	12	64.7 Å²	64.7	10%	0.099	32%	0.324	C	S	.	.	I	π-helix	trans	-79.5	-45.1	-177.2	0	0	0	0	0	114.3	F700 S701 A702 L869 I873	F700-A704 VanDerWaalsContact O-CB 3.26Å; F700-A704 WeakPolarHBondContact O-CB 3.4Å; F700-A704 PolarHBondContact O-N 3.27Å; S701-A704 PolarHBondContact O-N 3.49Å; A702-A704 VanDerWaalsContact C-N 3.3Å; A702-A704 PolarHBondContact O-N 3.28Å; A704-L869 HydrophobicContact CB-CD1 4.25Å; A704-L869 VanDerWaalsContact O-CD1 3.3Å; A704-L869 WeakPolarHBondContact O-CD1 3.46Å; A704-I873 HydrophobicContact CB-CD1 4.02Å; A704-I873 HydrophobicContact CB-CG1 4.13Å
705	M	56.4	Low	57.1	Low	135 Å²	135	61.5 Å²	61.5	67%	0.665	31%	0.313	S	S	*	.	I	π-helix	trans	-102.1	-38.5	-170	-66.8	-79.3	96.2	0	0	113.4	S701	S701-M705 WeakPolarHBondContact O-CB 3.43Å; S701-M705 PolarHBondContact O-N 2.86Å
706	L	53.1	Low	56.7	Low	74 Å²	74	60.6 Å²	60.6	39%	0.387	33%	0.325	S	S	.	.	I	π-helix	trans	-84.8	-24	-168.4	-70.1	174.5	0	0	0	112.4	A702 F710	A702-L706 HydrophobicContact CB-CD1 3.95Å; A702-L706 VanDerWaalsContact O-CB 3.31Å; A702-L706 WeakPolarHBondContact O-CB 3.43Å; A702-L706 PolarHBondContact O-N 2.91Å; A702-L706 VanDerWaalsContact O-N 3.13Å; L706-F710 HydrophobicContact CB-CD2 3.63Å; L706-F710 HydrophobicContact CB-CE2 3.64Å; L706-F710 HydrophobicContact CD1-CE2 3.95Å; L706-F710 HydrophobicContact CD2-CD2 4.1Å; L706-F710 HydrophobicContact CD2-CE2 3.42Å; L706-F710 VanDerWaalsContact CD2-CE2 3.42Å; L706-F710 HydrophobicContact CD2-CZ 3.91Å; L706-F710 HydrophobicContact CG-CD2 4.34Å; L706-F710 HydrophobicContact CG-CE2 3.84Å; L706-F710 WeakPolarHBondContact O-CB 3.36Å; L706-F710 WeakPolarHBondContact O-CD2 3.48Å; L706-F710 WeakPolarHBondContact O-CG 3.27Å; L706-F710 PolarHBondContact O-N 3.06Å
707	L	56.9	Low	56.2	Low	16 Å²	16	68.5 Å²	68.5	8%	0.084	36%	0.36	C	S	.	.	H	α-helix	trans	-60.8	-55.4	-175.7	-175.5	69.4	0	0	0	113.3	Y709 T711 S722 L726 Y868 I872	L707-Y709 PolarHBondContact O-N 3.5Å; L707-T711 HydrophobicContact CD1-CG2 4.5Å; L707-T711 WeakPolarHBondContact O-CG2 3.45Å; L707-T711 PolarHBondContact O-N 3.32Å; L707-T711 PolarHBondContact O-OG1 3.36Å; L707-S722 VanDerWaalsContact CD1-CA 3.45Å; L707-S722 VanDerWaalsContact CD1-O 3.29Å; L707-S722 WeakPolarHBondContact CD1-O 3.42Å; L707-L726 HydrophobicContact CD1-CD1 3.74Å; L707-L726 HydrophobicContact CD1-CD2 4.15Å; L707-L726 HydrophobicContact CD1-CG 3.55Å; L707-L726 HydrophobicContact CD2-CD1 3.52Å; L707-L726 HydrophobicContact CD2-CD2 3.89Å; L707-L726 HydrophobicContact CD2-CG 3.89Å; L707-L726 HydrophobicContact CG-CD1 4.22Å; L707-L726 HydrophobicContact CG-CD2 4.39Å; L707-L726 HydrophobicContact CG-CG 4.23Å; L707-Y868 HydrophobicContact CD2-CE1 3.77Å; L707-I872 HydrophobicContact CD2-CD1 3.86Å
708	P	54.5	Low	55.5	Low	60 Å²	60	74.8 Å²	74.8	39%	0.39	38%	0.376	S	S	.	.	H	α-helix	trans	-67.5	-41.1	-176.3	-17.6	33.3	0	0	0	111.7	T711 Y712	P708-T711 WeakPolarHBondContact CA-OG1 3.01Å; P708-T711 PolarHBondContact O-N 3.47Å; P708-T711 PolarHBondContact O-OG1 3.21Å; P708-Y712 WeakPolarHBondContact O-CB 3.25Å; P708-Y712 PolarHBondContact O-N 2.82Å
709	Y	53.9	Low	55.1	Low	152 Å²	152	75.7 Å²	75.7	60%	0.596	39%	0.388	S	S	*	.	H	α-helix	trans	-63.9	-46.6	-179.3	-179.2	-97.5	0	0	0	111.9	L707 Y712 S713	L707-Y709 PolarHBondContact O-N 3.5Å; Y709-Y712 PolarHBondContact O-N 2.93Å; Y709-S713 WeakPolarHBondContact O-CB 3.21Å; Y709-S713 PolarHBondContact O-N 3.39Å
710	F	52.4	Low	54.8	Low	50 Å²	50	77.5 Å²	77.5	22%	0.219	41%	0.408	C	S	.	.	H	α-helix	trans	-76.2	-27.1	177.7	-70	-51.4	0	0	0	113.4	L706 Y712 S713 F714 G715 Y721	L706-F710 HydrophobicContact CB-CD2 3.63Å; L706-F710 HydrophobicContact CB-CE2 3.64Å; L706-F710 HydrophobicContact CD1-CE2 3.95Å; L706-F710 HydrophobicContact CD2-CD2 4.1Å; L706-F710 HydrophobicContact CD2-CE2 3.42Å; L706-F710 VanDerWaalsContact CD2-CE2 3.42Å; L706-F710 HydrophobicContact CD2-CZ 3.91Å; L706-F710 HydrophobicContact CG-CD2 4.34Å; L706-F710 HydrophobicContact CG-CE2 3.84Å; L706-F710 WeakPolarHBondContact O-CB 3.36Å; L706-F710 WeakPolarHBondContact O-CD2 3.48Å; L706-F710 WeakPolarHBondContact O-CG 3.27Å; L706-F710 PolarHBondContact O-N 3.06Å; F710-Y712 VanDerWaalsContact C-N 3.25Å; F710-Y712 PolarHBondContact O-N 3.4Å; F710-S713 PolarHBondContact O-N 3.17Å; F710-F714 HydrophobicContact CB-CD2 4.3Å; F710-F714 AromaticContact CD1-CD2 3.55Å; F710-F714 HydrophobicContact CD1-CD2 3.55Å; F710-F714 AromaticContact CD1-CE2 3.6Å; F710-F714 HydrophobicContact CD1-CE2 3.6Å; F710-F714 HydrophobicContact CE1-CD2 4.27Å; F710-F714 AromaticContact CE1-CE2 3.84Å; F710-F714 HydrophobicContact CE1-CE2 3.84Å; F710-F714 HydrophobicContact CG-CD2 4.3Å; F710-F714 WeakPolarHBondContact O-CA 3.43Å; F710-F714 WeakPolarHBondContact O-CB 3.44Å; F710-F714 PolarHBondContact O-N 2.89Å; F710-G715 PolarHBondContact O-N 3.44Å; F710-Y721 HydrophobicContact CB-CD1 3.88Å; F710-Y721 HydrophobicContact CB-CE1 3.39Å; F710-Y721 HydrophobicContact CD2-CE1 4.09Å; F710-Y721 AromaticContact CG-CE1 3.86Å; F710-Y721 HydrophobicContact CG-CE1 3.86Å
711	T	53	Low	54.5	Low	48 Å²	48	78.6 Å²	78.6	29%	0.294	41%	0.411	S	S	.	.	H	α-helix	trans	-61.4	-39.3	167.5	39.6	0	0	0	0	112.1	L707 P708 G715 S722	L707-T711 HydrophobicContact CD1-CG2 4.5Å; L707-T711 WeakPolarHBondContact O-CG2 3.45Å; L707-T711 PolarHBondContact O-N 3.32Å; L707-T711 PolarHBondContact O-OG1 3.36Å; P708-T711 WeakPolarHBondContact CA-OG1 3.01Å; P708-T711 PolarHBondContact O-N 3.47Å; P708-T711 PolarHBondContact O-OG1 3.21Å; T711-G715 WeakPolarHBondContact O-CA 3.14Å; T711-G715 PolarHBondContact O-N 3.32Å; T711-S722 VanDerWaalsContact CG2-OG 3.23Å; T711-S722 WeakPolarHBondContact CG2-OG 3.33Å
712	Y	52.2	Low	54.1	Low	164 Å²	164	76.7 Å²	76.7	64%	0.643	40%	0.398	S	S	*	.	H	α-helix	trans	-69.8	-47.7	177.7	-176.3	-100.4	0	0	0	111.1	P708 Y709 F710	P708-Y712 WeakPolarHBondContact O-CB 3.25Å; P708-Y712 PolarHBondContact O-N 2.82Å; Y709-Y712 PolarHBondContact O-N 2.93Å; F710-Y712 VanDerWaalsContact C-N 3.25Å; F710-Y712 PolarHBondContact O-N 3.4Å
713	S	54.9	Low	53.9	Low	60 Å²	60	79.5 Å²	79.5	42%	0.42	41%	0.408	S	S	.	.	H	α-helix	trans	-74.7	-45.1	-175.3	-169.7	0	0	0	0	114.1	Y709 F710	Y709-S713 WeakPolarHBondContact O-CB 3.21Å; Y709-S713 PolarHBondContact O-N 3.39Å; F710-S713 PolarHBondContact O-N 3.17Å
714	F	50.9	Low	53.9	Low	97 Å²	97	82.1 Å²	82.1	43%	0.425	43%	0.427	S	S	.	.	H	α-helix	trans	-104.4	-23.1	-177.9	-72.4	-84.8	0	0	0	114.1	F710 S716 K717 W718 Y721	F710-F714 HydrophobicContact CB-CD2 4.3Å; F710-F714 AromaticContact CD1-CD2 3.55Å; F710-F714 HydrophobicContact CD1-CD2 3.55Å; F710-F714 AromaticContact CD1-CE2 3.6Å; F710-F714 HydrophobicContact CD1-CE2 3.6Å; F710-F714 HydrophobicContact CE1-CD2 4.27Å; F710-F714 AromaticContact CE1-CE2 3.84Å; F710-F714 HydrophobicContact CE1-CE2 3.84Å; F710-F714 HydrophobicContact CG-CD2 4.3Å; F710-F714 WeakPolarHBondContact O-CA 3.43Å; F710-F714 WeakPolarHBondContact O-CB 3.44Å; F710-F714 PolarHBondContact O-N 2.89Å; F714-S716 PolarHBondContact O-N 3.45Å; F714-K717 PolarHBondContact O-N 2.87Å; F714-W718 PolarHBondContact O-N 3.38Å; F714-Y721 HydrophobicContact CB-CD1 4.29Å; F714-Y721 HydrophobicContact CB-CG 4.24Å
715	G	50.5	Low	54	Low	20 Å²	20	83 Å²	83	21%	0.206	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.2	-176.6	0	0	0	0	0	113.6	F710 T711 K717 W718	F710-G715 PolarHBondContact O-N 3.44Å; T711-G715 WeakPolarHBondContact O-CA 3.14Å; T711-G715 PolarHBondContact O-N 3.32Å; G715-K717 VanDerWaalsContact C-N 3.26Å; G715-K717 PolarHBondContact O-N 3.14Å; G715-W718 CarbonylContact O-C 3.57Å
716	S	53	Low	54.1	Low	106 Å²	106	77.2 Å²	77.2	74%	0.741	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-30.8	172.2	82.4	0	0	0	0	112.6	F714	F714-S716 PolarHBondContact O-N 3.45Å
717	K	55.7	Low	54.7	Low	169 Å²	169	82.1 Å²	82.1	74%	0.735	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-39.8	176	-67.9	-175.5	178.3	178.7	0	111.5	F714 G715	F714-K717 PolarHBondContact O-N 2.87Å; G715-K717 VanDerWaalsContact C-N 3.26Å; G715-K717 PolarHBondContact O-N 3.14Å
718	W	48.4	Very low	55	Low	181 Å²	181	84.2 Å²	84.2	69%	0.686	44%	0.439	S	S	*	.			trans	-131.2	93.4	-174.2	-85.6	45.6	0	0	0	110.5	F714 G715 G720 Y721	F714-W718 PolarHBondContact O-N 3.38Å; G715-W718 CarbonylContact O-C 3.57Å; W718-G720 PolarHBondContact O-N 3.25Å; W718-Y721 WeakPolarHBondContact O-CB 3.32Å; W718-Y721 PolarHBondContact O-N 3.42Å
719	P	52.5	Low	55.4	Low	114 Å²	114	82 Å²	82	74%	0.74	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-13.5	-176.7	20.3	-30.5	0	0	0	114.3
720	G	54.1	Low	56.1	Low	42 Å²	42	75.3 Å²	75.3	43%	0.433	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-1.7	175.1	0	0	0	0	0	115.9	W718 S722 M723 S724	W718-G720 PolarHBondContact O-N 3.25Å; G720-S722 PolarHBondContact O-N 2.93Å; G720-M723 PolarHBondContact O-N 3.09Å; G720-S724 PolarHBondContact O-N 3.47Å; G720-S724 PolarHBondContact O-OG 2.58Å
721	Y	53.6	Low	56.8	Low	68 Å²	68	74.9 Å²	74.9	27%	0.267	41%	0.405	S	S	.	.	H	α-helix	trans	-61.4	-46.5	-171.1	-178.6	-91.1	0	0	0	112.7	F710 F714 W718 M723 S724 A725	F710-Y721 HydrophobicContact CB-CD1 3.88Å; F710-Y721 HydrophobicContact CB-CE1 3.39Å; F710-Y721 HydrophobicContact CD2-CE1 4.09Å; F710-Y721 AromaticContact CG-CE1 3.86Å; F710-Y721 HydrophobicContact CG-CE1 3.86Å; F714-Y721 HydrophobicContact CB-CD1 4.29Å; F714-Y721 HydrophobicContact CB-CG 4.24Å; W718-Y721 WeakPolarHBondContact O-CB 3.32Å; W718-Y721 PolarHBondContact O-N 3.42Å; Y721-M723 VanDerWaalsContact C-N 3.29Å; Y721-M723 PolarHBondContact O-N 2.98Å; Y721-S724 WeakPolarHBondContact CA-OG 3.34Å; Y721-S724 PolarHBondContact O-N 3.17Å; Y721-S724 VanDerWaalsContact O-N 3.14Å; Y721-S724 PolarHBondContact O-OG 3.1Å; Y721-A725 HydrophobicContact CD1-CB 4.38Å; Y721-A725 HydrophobicContact CE1-CB 3.95Å; Y721-A725 WeakPolarHBondContact O-CB 2.96Å; Y721-A725 PolarHBondContact O-N 3.39Å
722	S	53.6	Low	57.2	Low	19 Å²	19	73.9 Å²	73.9	13%	0.133	40%	0.401	C	S	.	.	H	α-helix	trans	-49	-53.9	176	15.9	0	0	0	0	112	L707 T711 G720 S724 A725 L726	L707-S722 VanDerWaalsContact CD1-CA 3.45Å; L707-S722 VanDerWaalsContact CD1-O 3.29Å; L707-S722 WeakPolarHBondContact CD1-O 3.42Å; T711-S722 VanDerWaalsContact CG2-OG 3.23Å; T711-S722 WeakPolarHBondContact CG2-OG 3.33Å; G720-S722 PolarHBondContact O-N 2.93Å; S722-S724 VanDerWaalsContact C-N 3.32Å; S722-S724 PolarHBondContact O-N 3.16Å; S722-A725 PolarHBondContact O-N 3.2Å; S722-L726 WeakPolarHBondContact O-CB 3.38Å; S722-L726 WeakPolarHBondContact O-CG 3.29Å; S722-L726 PolarHBondContact O-N 2.88Å
723	M	55.7	Low	57.8	Low	81 Å²	81	66.2 Å²	66.2	40%	0.399	37%	0.372	S	S	.	.	H	α-helix	trans	-64.3	-45.4	-175.4	-68.3	-64.2	-79.8	0	0	108.6	G720 Y721 A725 L726 W727	G720-M723 PolarHBondContact O-N 3.09Å; Y721-M723 VanDerWaalsContact C-N 3.29Å; Y721-M723 PolarHBondContact O-N 2.98Å; M723-A725 PolarHBondContact O-N 3.46Å; M723-L726 PolarHBondContact O-N 2.85Å; M723-W727 VanDerWaalsContact C-CD1 3.48Å; M723-W727 WeakPolarHBondContact O-CB 3.13Å; M723-W727 VanDerWaalsContact O-CG 3.3Å; M723-W727 PolarHBondContact O-N 3.03Å
724	S	59	Low	58.3	Low	57 Å²	57	66.3 Å²	66.3	40%	0.399	37%	0.365	S	S	.	.	H	α-helix	trans	-62.2	-40.1	177.5	70.3	0	0	0	0	113.5	G720 Y721 S722 W727 A728	G720-S724 PolarHBondContact O-N 3.47Å; G720-S724 PolarHBondContact O-OG 2.58Å; Y721-S724 WeakPolarHBondContact CA-OG 3.34Å; Y721-S724 PolarHBondContact O-N 3.17Å; Y721-S724 VanDerWaalsContact O-N 3.14Å; Y721-S724 PolarHBondContact O-OG 3.1Å; S722-S724 VanDerWaalsContact C-N 3.32Å; S722-S724 PolarHBondContact O-N 3.16Å; S724-W727 PolarHBondContact O-N 3.41Å; S724-A728 VanDerWaalsContact O-CB 3.26Å; S724-A728 WeakPolarHBondContact O-CB 3.06Å; S724-A728 PolarHBondContact O-N 3.13Å
725	A	59.4	Low	59	Low	30 Å²	30	65 Å²	65	25%	0.248	36%	0.361	C	S	.	.	H	α-helix	trans	-68	-41	178.1	0	0	0	0	0	111.5	Y721 S722 M723 A728 S729	Y721-A725 HydrophobicContact CD1-CB 4.38Å; Y721-A725 HydrophobicContact CE1-CB 3.95Å; Y721-A725 WeakPolarHBondContact O-CB 2.96Å; Y721-A725 PolarHBondContact O-N 3.39Å; S722-A725 PolarHBondContact O-N 3.2Å; M723-A725 PolarHBondContact O-N 3.46Å; A725-A728 PolarHBondContact O-N 2.7Å; A725-S729 WeakPolarHBondContact O-CB 3.25Å; A725-S729 PolarHBondContact O-N 3.13Å; A725-S729 PolarHBondContact O-OG 3.24Å
726	L	60	Low	59.6	Low	14 Å²	14	64.9 Å²	64.9	7%	0.073	36%	0.356	C	S	.	.	H	α-helix	trans	-62.2	-50.9	170.4	-74.4	169.4	0	0	0	111	L707 S722 M723 A728 S729 H730 I872	L707-L726 HydrophobicContact CD1-CD1 3.74Å; L707-L726 HydrophobicContact CD1-CD2 4.15Å; L707-L726 HydrophobicContact CD1-CG 3.55Å; L707-L726 HydrophobicContact CD2-CD1 3.52Å; L707-L726 HydrophobicContact CD2-CD2 3.89Å; L707-L726 HydrophobicContact CD2-CG 3.89Å; L707-L726 HydrophobicContact CG-CD1 4.22Å; L707-L726 HydrophobicContact CG-CD2 4.39Å; L707-L726 HydrophobicContact CG-CG 4.23Å; S722-L726 WeakPolarHBondContact O-CB 3.38Å; S722-L726 WeakPolarHBondContact O-CG 3.29Å; S722-L726 PolarHBondContact O-N 2.88Å; M723-L726 PolarHBondContact O-N 2.85Å; L726-A728 PolarHBondContact O-N 3.34Å; L726-S729 PolarHBondContact O-N 3.12Å; L726-S729 PolarHBondContact O-OG 3.37Å; L726-H730 VanDerWaalsContact O-CB 3.31Å; L726-H730 WeakPolarHBondContact O-CB 3.16Å; L726-H730 PolarHBondContact O-N 3.17Å; L726-H730 PolarHBondContact O-ND1 3.35Å; L726-I872 HydrophobicContact CD1-CD1 4.12Å; L726-I872 HydrophobicContact CD2-CD1 4.21Å; L726-I872 HydrophobicContact CD2-CG2 3.91Å
727	W	64.3	Low	60	Low	176 Å²	176	60 Å²	60	67%	0.667	32%	0.322	S	S	*	.	H	α-helix	trans	-58	-40.4	179.3	-74.1	121.2	0	0	0	111	M723 S724 A731	M723-W727 VanDerWaalsContact C-CD1 3.48Å; M723-W727 WeakPolarHBondContact O-CB 3.13Å; M723-W727 VanDerWaalsContact O-CG 3.3Å; M723-W727 PolarHBondContact O-N 3.03Å; S724-W727 PolarHBondContact O-N 3.41Å; W727-A731 WeakPolarHBondContact O-CA 3.48Å; W727-A731 WeakPolarHBondContact O-CB 3.34Å; W727-A731 PolarHBondContact O-N 3.08Å
728	A	62.5	Low	60.4	Low	61 Å²	61	55.9 Å²	55.9	50%	0.504	31%	0.307	S	S	.	.	H	α-helix	trans	-66.2	-44.2	176	0	0	0	0	0	112.5	S724 A725 L726 A731 A732	S724-A728 VanDerWaalsContact O-CB 3.26Å; S724-A728 WeakPolarHBondContact O-CB 3.06Å; S724-A728 PolarHBondContact O-N 3.13Å; A725-A728 PolarHBondContact O-N 2.7Å; L726-A728 PolarHBondContact O-N 3.34Å; A728-A731 PolarHBondContact O-N 3.23Å; A728-A732 WeakPolarHBondContact O-CB 3.47Å; A728-A732 PolarHBondContact O-N 3.27Å
729	S	63.3	Low	60.9	Low	13 Å²	13	54 Å²	54	9%	0.091	31%	0.308	C	S	.	.	H	α-helix	trans	-65.5	-43.3	178.2	73.6	0	0	0	0	111.6	P699 A725 L726 A732 A733	P699-S729 WeakPolarHBondContact CB-O 3.23Å; P699-S729 WeakPolarHBondContact CG-O 3.37Å; A725-S729 WeakPolarHBondContact O-CB 3.25Å; A725-S729 PolarHBondContact O-N 3.13Å; A725-S729 PolarHBondContact O-OG 3.24Å; L726-S729 PolarHBondContact O-N 3.12Å; L726-S729 PolarHBondContact O-OG 3.37Å; S729-A732 WeakPolarHBondContact O-CB 3.44Å; S729-A732 PolarHBondContact O-N 3.45Å; S729-A733 PolarHBondContact O-N 3.31Å
730	H	68.2	Low	61.3	Low	11 Å²	11	50.5 Å²	50.5	5%	0.051	28%	0.282	C	S	.	.	H	α-helix	trans	-69.4	-37.1	177.3	-71	85.1	0	0	0	111.3	L726 A733 F734 T876 I879	L726-H730 VanDerWaalsContact O-CB 3.31Å; L726-H730 WeakPolarHBondContact O-CB 3.16Å; L726-H730 PolarHBondContact O-N 3.17Å; L726-H730 PolarHBondContact O-ND1 3.35Å; H730-A733 PolarHBondContact O-N 3.49Å; H730-F734 WeakPolarHBondContact O-CB 3.13Å; H730-F734 PolarHBondContact O-N 2.98Å; H730-T876 PolarHBondContact NE2-OG1 3.39Å; H730-I879 HydrophobicContact CB-CD1 3.6Å; H730-I879 VanDerWaalsContact CD2-CD1 3.4Å; H730-I879 WeakPolarHBondContact CD2-CD1 3.28Å
731	A	67.3	Low	61.3	Low	42 Å²	42	57.1 Å²	57.1	35%	0.347	30%	0.302	S	S	.	.	H	α-helix	trans	-63.3	-41.4	171.8	0	0	0	0	0	111.3	W727 A728 A733 F734 I735	W727-A731 WeakPolarHBondContact O-CA 3.48Å; W727-A731 WeakPolarHBondContact O-CB 3.34Å; W727-A731 PolarHBondContact O-N 3.08Å; A728-A731 PolarHBondContact O-N 3.23Å; A731-A733 PolarHBondContact O-N 3.22Å; A731-F734 PolarHBondContact O-N 3.47Å; A731-I735 HydrophobicContact CB-CD1 4.37Å; A731-I735 WeakPolarHBondContact O-CB 3.26Å; A731-I735 WeakPolarHBondContact O-CD1 3.25Å; A731-I735 WeakPolarHBondContact O-CG1 3.16Å; A731-I735 PolarHBondContact O-N 2.95Å
732	A	63.1	Low	61.8	Low	26 Å²	26	55.7 Å²	55.7	22%	0.215	31%	0.308	C	S	.	.	H	α-helix	trans	-60.5	-44.7	174.6	0	0	0	0	0	112.1	W695 P699 A728 S729 F734 I735 L736	W695-A732 HydrophobicContact CE3-CB 4.29Å; W695-A732 HydrophobicContact CZ3-CB 3.94Å; P699-A732 HydrophobicContact CG-CB 4.44Å; A728-A732 WeakPolarHBondContact O-CB 3.47Å; A728-A732 PolarHBondContact O-N 3.27Å; S729-A732 WeakPolarHBondContact O-CB 3.44Å; S729-A732 PolarHBondContact O-N 3.45Å; A732-F734 VanDerWaalsContact C-N 3.28Å; A732-F734 PolarHBondContact O-N 3.34Å; A732-I735 PolarHBondContact O-N 3.41Å; A732-L736 PolarHBondContact O-N 3.47Å
733	A	64.5	Low	62.4	Low	3 Å²	3	57.7 Å²	57.7	3%	0.025	32%	0.322	C	S	.	.	H	α-helix	trans	-61.5	-36.5	174.5	0	0	0	0	0	112.5	P699 S729 H730 A731 I879	P699-A733 HydrophobicContact CB-CB 4.11Å; P699-A733 HydrophobicContact CG-CB 4.04Å; S729-A733 PolarHBondContact O-N 3.31Å; H730-A733 PolarHBondContact O-N 3.49Å; A731-A733 PolarHBondContact O-N 3.22Å; A733-I879 HydrophobicContact CB-CG2 4.37Å
734	F	65.4	Low	62.9	Low	62 Å²	62	60.1 Å²	60.1	27%	0.272	33%	0.332	S	S	.	.	H	α-helix	trans	-74.3	-36.3	178.3	-175.8	-101.1	0	0	0	113.6	H730 A731 A732 P737 L738 I879 L882 L886	H730-F734 WeakPolarHBondContact O-CB 3.13Å; H730-F734 PolarHBondContact O-N 2.98Å; A731-F734 PolarHBondContact O-N 3.47Å; A732-F734 VanDerWaalsContact C-N 3.28Å; A732-F734 PolarHBondContact O-N 3.34Å; F734-P737 VanDerWaalsContact O-CD 3.23Å; F734-P737 WeakPolarHBondContact O-CD 3.46Å; F734-L738 HydrophobicContact CD1-CD1 4.26Å; F734-L738 HydrophobicContact CE1-CD1 3.88Å; F734-I879 HydrophobicContact CB-CG2 3.72Å; F734-I879 HydrophobicContact CD2-CG2 4.17Å; F734-I879 HydrophobicContact CG-CG2 4.44Å; F734-L882 HydrophobicContact CD2-CD2 4.3Å; F734-L882 HydrophobicContact CE2-CD2 3.82Å; F734-L882 HydrophobicContact CE2-CG 4.06Å; F734-L886 HydrophobicContact CE1-CD2 4.44Å; F734-L886 HydrophobicContact CE2-CD1 4.31Å; F734-L886 HydrophobicContact CE2-CD2 4.38Å; F734-L886 HydrophobicContact CZ-CD1 4.29Å; F734-L886 HydrophobicContact CZ-CD2 3.7Å
735	I	65.5	Low	63.2	Low	70 Å²	70	63 Å²	63	36%	0.359	33%	0.334	S	S	.	.	H	α-helix	trans	-76.9	-25.5	-176.1	-71.1	165.4	0	0	0	111.7	A731 A732 L738 M739	A731-I735 HydrophobicContact CB-CD1 4.37Å; A731-I735 WeakPolarHBondContact O-CB 3.26Å; A731-I735 WeakPolarHBondContact O-CD1 3.25Å; A731-I735 WeakPolarHBondContact O-CG1 3.16Å; A731-I735 PolarHBondContact O-N 2.95Å; A732-I735 PolarHBondContact O-N 3.41Å; I735-L738 WeakPolarHBondContact O-CB 3.33Å; I735-L738 PolarHBondContact O-N 2.87Å; I735-M739 HydrophobicContact CG2-CE 4.28Å; I735-M739 HydrophobicContact CG2-CG 3.3Å; I735-M739 HydrophobicContact CG2-SD 3.93Å; I735-M739 WeakPolarHBondContact O-CG 3.32Å; I735-M739 PolarHBondContact O-N 2.95Å; I735-M739 VanDerWaalsContact O-N 3.12Å
736	L	63.2	Low	63.6	Low	18 Å²	18	65.9 Å²	65.9	9%	0.094	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48	-47.7	-177.9	178.1	67.7	0	0	0	114	W695 A732 L738 L754	W695-L736 HydrophobicContact CB-CD1 3.55Å; W695-L736 HydrophobicContact CB-CD2 3.76Å; W695-L736 HydrophobicContact CB-CG 4.17Å; W695-L736 HydrophobicContact CD2-CD1 4.19Å; W695-L736 HydrophobicContact CG-CD1 3.68Å; A732-L736 PolarHBondContact O-N 3.47Å; L736-L738 VanDerWaalsContact C-N 3.31Å; L736-L738 PolarHBondContact O-N 3.2Å; L736-L754 HydrophobicContact CD2-CD1 4.15Å
737	P	61.4	Low	64	Low	3 Å²	3	69.1 Å²	69.1	2%	0.019	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-18.8	-179	-18.5	37.8	0	0	0	113.3	F734 Y751 L754 G883 P887	F734-P737 VanDerWaalsContact O-CD 3.23Å; F734-P737 WeakPolarHBondContact O-CD 3.46Å; P737-Y751 HydrophobicContact CB-CE1 4.41Å; P737-Y751 PolarHBondContact O-OH 3.4Å; P737-L754 HydrophobicContact CB-CD2 4.18Å; P737-L754 HydrophobicContact CG-CD2 3.78Å; P737-G883 WeakPolarHBondContact CB-O 3.45Å; P737-G883 VanDerWaalsContact CG-C 3.5Å; P737-G883 VanDerWaalsContact CG-O 3.32Å; P737-G883 WeakPolarHBondContact CG-O 3.37Å; P737-P887 HydrophobicContact CB-CG 3.7Å; P737-P887 WeakPolarHBondContact O-CG 3.3Å
738	L	63	Low	64.4	Low	83 Å²	83	64.9 Å²	64.9	44%	0.435	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-29.5	-178.9	-63.7	172.2	0	0	0	112.7	F734 I735 L736 I740 L886 P887	F734-L738 HydrophobicContact CD1-CD1 4.26Å; F734-L738 HydrophobicContact CE1-CD1 3.88Å; I735-L738 WeakPolarHBondContact O-CB 3.33Å; I735-L738 PolarHBondContact O-N 2.87Å; L736-L738 VanDerWaalsContact C-N 3.31Å; L736-L738 PolarHBondContact O-N 3.2Å; L738-I740 PolarHBondContact O-N 3.32Å; L738-L886 HydrophobicContact CD1-CD2 4.45Å; L738-L886 HydrophobicContact CD2-CD2 4.1Å; L738-P887 HydrophobicContact CD2-CG 4.29Å
739	M	59.3	Low	64.9	Low	141 Å²	141	63.2 Å²	63.2	70%	0.695	33%	0.332	S	S	*	.	S	Bend	trans	-74.4	-3.4	-176	-68.4	-69.7	-110.5	0	0	114.3	I735 H741	I735-M739 HydrophobicContact CG2-CE 4.28Å; I735-M739 HydrophobicContact CG2-CG 3.3Å; I735-M739 HydrophobicContact CG2-SD 3.93Å; I735-M739 WeakPolarHBondContact O-CG 3.32Å; I735-M739 PolarHBondContact O-N 2.95Å; I735-M739 VanDerWaalsContact O-N 3.12Å; M739-H741 PolarHBondContact O-N 3.48Å; M739-H741 PolarHBondContact O-ND1 3.46Å
740	I	60.3	Low	65.3	Low	40 Å²	40	63.4 Å²	63.4	21%	0.205	33%	0.332	C	S	.	.			trans	-84	104.1	-167.6	-54.9	157.2	0	0	0	110.9	L738 R747 H750	L738-I740 PolarHBondContact O-N 3.32Å; I740-R747 HydrophobicContact CG2-CG 4.44Å; I740-H750 WeakPolarHBondContact CD1-CD2 3.23Å; I740-H750 WeakPolarHBondContact CD1-NE2 3.31Å
741	H	55.4	Low	65.7	Low	181 Å²	181	64.2 Å²	64.2	84%	0.838	33%	0.334	S	S	*	.			trans	-100.8	122.2	167.1	-69	72	0	0	0	109.3	M739	M739-H741 PolarHBondContact O-N 3.48Å; M739-H741 PolarHBondContact O-ND1 3.46Å
742	G	64.6	Low	66.3	Low	38 Å²	38	63.5 Å²	63.5	39%	0.392	33%	0.328	S	S	.	.	S	Bend	trans	-177.6	175.5	-179.5	0	0	0	0	0	111.8
743	S	64.7	Low	67	Low	61 Å²	61	62.6 Å²	62.6	43%	0.427	32%	0.32	S	S	.	.			trans	-62.8	158.8	175.1	70.3	0	0	0	0	111.5	W745 Q746 R747	S743-W745 PolarHBondContact O-N 3.44Å; S743-W745 VanDerWaalsContact O-N 3.17Å; S743-Q746 PolarHBondContact O-N 3.37Å; S743-Q746 WeakPolarHBondContact OG-CG 3.41Å; S743-Q746 PolarHBondContact OG-N 2.96Å; S743-R747 PolarHBondContact O-N 3.43Å
744	E	67.3	Low	67.7	Low	132 Å²	132	62.6 Å²	62.6	62%	0.617	32%	0.32	S	S	*	.	H	α-helix	trans	-55.4	-35.2	178.6	-170.9	173.9	-161.5	0	0	112.2	T748 R795	E744-T748 WeakPolarHBondContact O-CB 3.39Å; E744-T748 PolarHBondContact O-N 2.86Å; E744-T748 PolarHBondContact O-OG1 3.38Å; E744-R795 IonicContact OE1-NH2 3.23Å; E744-R795 PolarHBondContact OE1-NH2 3.38Å
745	W	63.7	Low	68.6	Low	117 Å²	117	60.8 Å²	60.8	44%	0.443	31%	0.312	S	S	.	.	H	α-helix	trans	-66.2	-48.1	174.7	-174.8	81.6	0	0	0	112.4	Q681 S743 R747 T748 C749	Q681-W745 HydrophobicContact CG-CH2 4.37Å; S743-W745 PolarHBondContact O-N 3.44Å; S743-W745 VanDerWaalsContact O-N 3.17Å; W745-R747 VanDerWaalsContact C-N 3.34Å; W745-R747 PolarHBondContact O-N 3.47Å; W745-T748 PolarHBondContact O-N 2.91Å; W745-C749 PolarHBondContact O-N 3.37Å
746	Q	67.8	Low	69.5	Low	91 Å²	91	58.8 Å²	58.8	43%	0.425	30%	0.3	S	S	.	.	H	α-helix	trans	-61.2	-42.7	177.7	-73.5	172.1	-30.8	0	0	111.6	S743 T748 C749 H750	S743-Q746 PolarHBondContact O-N 3.37Å; S743-Q746 WeakPolarHBondContact OG-CG 3.41Å; S743-Q746 PolarHBondContact OG-N 2.96Å; Q746-T748 PolarHBondContact O-N 3.02Å; Q746-C749 PolarHBondContact O-N 3.2Å; Q746-H750 WeakPolarHBondContact O-CB 3.19Å; Q746-H750 PolarHBondContact O-N 3.45Å
747	R	70	Confident	70.5	Confident	82 Å²	82	58.1 Å²	58.1	31%	0.309	30%	0.297	S	S	.	.	H	α-helix	trans	-56.3	-50.6	173.2	-77.1	178.2	64.8	-169.4	4	110.7	I740 S743 W745 C749 H750 Y751 G890	I740-R747 HydrophobicContact CG2-CG 4.44Å; S743-R747 PolarHBondContact O-N 3.43Å; W745-R747 VanDerWaalsContact C-N 3.34Å; W745-R747 PolarHBondContact O-N 3.47Å; R747-C749 PolarHBondContact O-N 2.86Å; R747-H750 PolarHBondContact O-N 3.25Å; R747-Y751 HydrophobicContact CB-CD2 4.37Å; R747-Y751 HydrophobicContact CB-CE2 4.04Å; R747-Y751 WeakPolarHBondContact O-CD2 3.26Å; R747-Y751 PolarHBondContact O-N 3.48Å; R747-G890 PolarHBondContact NH2-OXT 3.46Å; R747-G890 VanDerWaalsContact NH2-OXT 3.12Å
748	T	72.2	Confident	71.6	Confident	87 Å²	87	58.1 Å²	58.1	53%	0.534	30%	0.297	S	S	.	.	H	α-helix	trans	-60.9	-46.2	-177.9	-56.6	0	0	0	0	112.1	E744 W745 Q746 H750 Y751 A752	E744-T748 WeakPolarHBondContact O-CB 3.39Å; E744-T748 PolarHBondContact O-N 2.86Å; E744-T748 PolarHBondContact O-OG1 3.38Å; W745-T748 PolarHBondContact O-N 2.91Å; Q746-T748 PolarHBondContact O-N 3.02Å; T748-H750 VanDerWaalsContact C-N 3.33Å; T748-H750 PolarHBondContact O-N 2.71Å; T748-Y751 PolarHBondContact O-N 3.22Å; T748-A752 WeakPolarHBondContact O-CB 3.24Å; T748-A752 PolarHBondContact O-N 2.83Å; T748-A752 VanDerWaalsContact O-N 3.11Å
749	C	71.8	Confident	72.9	Confident	27 Å²	27	54.2 Å²	54.2	18%	0.182	28%	0.276	C	S	.	.	H	α-helix	trans	-61.1	-41.9	175.4	-71	0	0	0	0	111.9	W745 Q746 R747 A752 L753	W745-C749 PolarHBondContact O-N 3.37Å; Q746-C749 PolarHBondContact O-N 3.2Å; R747-C749 PolarHBondContact O-N 2.86Å; C749-A752 PolarHBondContact O-N 3.32Å; C749-L753 WeakPolarHBondContact O-CB 3.31Å; C749-L753 PolarHBondContact O-N 2.93Å
750	H	72.8	Confident	74.3	Confident	17 Å²	17	51.3 Å²	51.3	8%	0.079	26%	0.263	C	S	.	.	H	α-helix	trans	-64.9	-46.4	178.8	-171.7	102.9	0	0	0	112.4	S688 V692 I740 Q746 R747 T748 A752 L753 L754	S688-H750 PolarHBondContact OG-ND1 2.93Å; V692-H750 WeakPolarHBondContact CG2-CE1 3.3Å; V692-H750 WeakPolarHBondContact CG2-NE2 3Å; I740-H750 WeakPolarHBondContact CD1-CD2 3.23Å; I740-H750 WeakPolarHBondContact CD1-NE2 3.31Å; Q746-H750 WeakPolarHBondContact O-CB 3.19Å; Q746-H750 PolarHBondContact O-N 3.45Å; R747-H750 PolarHBondContact O-N 3.25Å; T748-H750 VanDerWaalsContact C-N 3.33Å; T748-H750 PolarHBondContact O-N 2.71Å; H750-A752 VanDerWaalsContact C-N 3.31Å; H750-A752 PolarHBondContact O-N 3.4Å; H750-L753 CarbonylContact O-C 3.52Å; H750-L753 WeakPolarHBondContact O-CB 3.24Å; H750-L753 PolarHBondContact O-N 3.29Å; H750-L753 VanDerWaalsContact O-N 3.11Å; H750-L754 WeakPolarHBondContact O-CB 3.34Å; H750-L754 PolarHBondContact O-N 3.38Å
751	Y	76.8	Confident	75.5	Confident	27 Å²	27	50.3 Å²	50.3	11%	0.106	26%	0.258	C	S	.	.	H	α-helix	trans	-61.7	-39.8	177.1	-73.8	-64	0	0	0	112.1	P737 R747 T748 L753 L754 K755 Y884 P887	P737-Y751 HydrophobicContact CB-CE1 4.41Å; P737-Y751 PolarHBondContact O-OH 3.4Å; R747-Y751 HydrophobicContact CB-CD2 4.37Å; R747-Y751 HydrophobicContact CB-CE2 4.04Å; R747-Y751 WeakPolarHBondContact O-CD2 3.26Å; R747-Y751 PolarHBondContact O-N 3.48Å; T748-Y751 PolarHBondContact O-N 3.22Å; Y751-L753 VanDerWaalsContact C-N 3.31Å; Y751-L753 PolarHBondContact O-N 2.8Å; Y751-L754 PolarHBondContact O-N 3Å; Y751-K755 WeakPolarHBondContact O-CB 3.39Å; Y751-K755 PolarHBondContact O-N 3.05Å; Y751-Y884 HydrophobicContact CD1-CD2 4.34Å; Y751-Y884 HydrophobicContact CD1-CE2 4.43Å; Y751-Y884 WeakPolarHBondContact O-CE2 3.48Å; Y751-P887 HydrophobicContact CE1-CB 3.87Å; Y751-P887 HydrophobicContact CE1-CG 3.85Å; Y751-P887 WeakPolarHBondContact OH-CB 3.21Å; Y751-P887 WeakPolarHBondContact OH-CG 3.29Å
752	A	79	Confident	77.2	Confident	27 Å²	27	41.8 Å²	41.8	22%	0.223	22%	0.219	C	C	.	.	H	α-helix	trans	-62.8	-39.8	174.3	0	0	0	0	0	111.7	C669 L673 T748 C749 H750 F756	C669-A752 PolarHBondContact SG-O 3.25Å; L673-A752 HydrophobicContact CD1-CB 4.34Å; L673-A752 HydrophobicContact CD2-CB 3.86Å; L673-A752 HydrophobicContact CG-CB 4.35Å; T748-A752 WeakPolarHBondContact O-CB 3.24Å; T748-A752 PolarHBondContact O-N 2.83Å; T748-A752 VanDerWaalsContact O-N 3.11Å; C749-A752 PolarHBondContact O-N 3.32Å; H750-A752 VanDerWaalsContact C-N 3.31Å; H750-A752 PolarHBondContact O-N 3.4Å; A752-F756 WeakPolarHBondContact O-CB 3.16Å; A752-F756 PolarHBondContact O-N 2.81Å
753	L	78.4	Confident	78.5	Confident	8 Å²	8	40.8 Å²	40.8	4%	0.042	21%	0.205	C	C	.	.	H	α-helix	trans	-67.5	-43.9	176.2	-160	67.1	0	0	0	112.4	L673 F689 C749 H750 Y751 K755 F756 V757	L673-L753 HydrophobicContact CD1-CD1 4.28Å; F689-L753 HydrophobicContact CB-CD2 3.85Å; F689-L753 HydrophobicContact CD2-CD1 3.73Å; F689-L753 HydrophobicContact CD2-CD2 4.12Å; F689-L753 HydrophobicContact CD2-CG 3.94Å; C749-L753 WeakPolarHBondContact O-CB 3.31Å; C749-L753 PolarHBondContact O-N 2.93Å; H750-L753 CarbonylContact O-C 3.52Å; H750-L753 WeakPolarHBondContact O-CB 3.24Å; H750-L753 PolarHBondContact O-N 3.29Å; H750-L753 VanDerWaalsContact O-N 3.11Å; Y751-L753 VanDerWaalsContact C-N 3.31Å; Y751-L753 PolarHBondContact O-N 2.8Å; L753-K755 VanDerWaalsContact C-N 3.35Å; L753-K755 PolarHBondContact O-N 3.37Å; L753-F756 WeakPolarHBondContact O-CB 2.91Å; L753-F756 PolarHBondContact O-N 3.24Å; L753-V757 WeakPolarHBondContact O-CG2 3.26Å; L753-V757 PolarHBondContact O-N 3.18Å
754	L	78.3	Confident	79.8	Confident	3 Å²	3	43.2 Å²	43.2	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-59.3	-45.9	175.5	179.4	63.9	0	0	0	110.9	V692 L736 P737 H750 Y751 F756 V757 L758 Y884	V692-L754 HydrophobicContact CG1-CB 4.37Å; V692-L754 HydrophobicContact CG1-CD1 3.87Å; L736-L754 HydrophobicContact CD2-CD1 4.15Å; P737-L754 HydrophobicContact CB-CD2 4.18Å; P737-L754 HydrophobicContact CG-CD2 3.78Å; H750-L754 WeakPolarHBondContact O-CB 3.34Å; H750-L754 PolarHBondContact O-N 3.38Å; Y751-L754 PolarHBondContact O-N 3Å; L754-F756 VanDerWaalsContact C-N 3.33Å; L754-F756 PolarHBondContact O-N 3.47Å; L754-V757 PolarHBondContact O-N 3.46Å; L754-L758 WeakPolarHBondContact O-CB 3.31Å; L754-L758 PolarHBondContact O-N 3.15Å; L754-Y884 HydrophobicContact CD2-CD2 4.14Å; L754-Y884 HydrophobicContact CG-CD2 4.41Å
755	K	84.1	Confident	80.8	Confident	24 Å²	24	37.2 Å²	37.2	10%	0.104	19%	0.185	C	C	.	.	H	α-helix	trans	-60.6	-43	174.5	-178.6	168.7	-179.5	167.7	0	111.8	Y751 L753 L758 L759 T789 M791 Y884	Y751-K755 WeakPolarHBondContact O-CB 3.39Å; Y751-K755 PolarHBondContact O-N 3.05Å; L753-K755 VanDerWaalsContact C-N 3.35Å; L753-K755 PolarHBondContact O-N 3.37Å; K755-L758 PolarHBondContact O-N 2.91Å; K755-L759 HydrophobicContact CG-CD1 3.94Å; K755-L759 HydrophobicContact CG-CG 4.32Å; K755-L759 WeakPolarHBondContact O-CB 3.44Å; K755-L759 VanDerWaalsContact O-CG 3.26Å; K755-L759 WeakPolarHBondContact O-CG 3.18Å; K755-L759 PolarHBondContact O-N 3.36Å; K755-T789 PolarHBondContact NZ-O 3.41Å; K755-M791 PolarHBondContact NZ-O 3.11Å; K755-Y884 HydrophobicContact CB-CD2 4.38Å; K755-Y884 HydrophobicContact CB-CE2 3.77Å; K755-Y884 HydrophobicContact CD-CE1 4.35Å
756	F	86.4	Confident	82.2	Confident	27 Å²	27	31.8 Å²	31.8	12%	0.118	17%	0.165	C	C	.	.	H	α-helix	trans	-58.6	-51.2	176.6	166.7	-109.3	0	0	0	111.8	A666 C669 W670 F689 A752 L753 L754 L759 L760	A666-F756 HydrophobicContact CB-CD2 3.99Å; A666-F756 HydrophobicContact CB-CE2 4.15Å; A666-F756 VanDerWaalsContact O-CD2 3.24Å; A666-F756 WeakPolarHBondContact O-CD2 3.15Å; C669-F756 HydrophobicContact CB-CB 4.27Å; W670-F756 HydrophobicContact CB-CD2 4.02Å; W670-F756 HydrophobicContact CB-CE2 3.79Å; W670-F756 HydrophobicContact CB-CZ 4.32Å; W670-F756 HydrophobicContact CD2-CZ 4.4Å; W670-F756 HydrophobicContact CE3-CD1 4.22Å; W670-F756 AromaticContact CE3-CE1 3.91Å; W670-F756 HydrophobicContact CE3-CE1 3.91Å; W670-F756 HydrophobicContact CE3-CZ 4.11Å; W670-F756 HydrophobicContact CG-CE2 4.42Å; W670-F756 HydrophobicContact CZ3-CE1 4.39Å; F689-F756 HydrophobicContact CE2-CD1 4.32Å; F689-F756 HydrophobicContact CE2-CE1 4.07Å; A752-F756 WeakPolarHBondContact O-CB 3.16Å; A752-F756 PolarHBondContact O-N 2.81Å; L753-F756 WeakPolarHBondContact O-CB 2.91Å; L753-F756 PolarHBondContact O-N 3.24Å; L754-F756 VanDerWaalsContact C-N 3.33Å; L754-F756 PolarHBondContact O-N 3.47Å; F756-L759 PolarHBondContact O-N 3.05Å; F756-L760 PolarHBondContact O-N 3.47Å
757	V	83.2	Confident	83.4	Confident	5 Å²	5	28.8 Å²	28.8	3%	0.03	16%	0.156	C	C	.	.	H	α-helix	trans	-64.7	-42.3	179.7	-178.9	0	0	0	0	111	F689 V692 L693 L696 L753 L754 L759 L760 L761	F689-V757 HydrophobicContact CD2-CG2 4.18Å; F689-V757 HydrophobicContact CE2-CG2 3.65Å; V692-V757 HydrophobicContact CG1-CB 4.39Å; V692-V757 HydrophobicContact CG1-CG2 4.19Å; L693-V757 HydrophobicContact CD1-CG1 4.04Å; L696-V757 HydrophobicContact CD2-CG1 3.61Å; L753-V757 WeakPolarHBondContact O-CG2 3.26Å; L753-V757 PolarHBondContact O-N 3.18Å; L754-V757 PolarHBondContact O-N 3.46Å; V757-L759 PolarHBondContact O-N 3.48Å; V757-L760 PolarHBondContact O-N 3.44Å; V757-L761 WeakPolarHBondContact O-CB 3.24Å; V757-L761 PolarHBondContact O-N 3.36Å
758	L	84.9	Confident	84.4	Confident	3 Å²	3	27.8 Å²	27.8	2%	0.016	16%	0.161	C	C	.	.	H	α-helix	trans	-58.6	-45.6	176.6	178.4	65.1	0	0	0	111.9	L754 K755 L761 L762 V788 I877 A880 A881	L754-L758 WeakPolarHBondContact O-CB 3.31Å; L754-L758 PolarHBondContact O-N 3.15Å; K755-L758 PolarHBondContact O-N 2.91Å; L758-L761 PolarHBondContact O-N 2.98Å; L758-L762 WeakPolarHBondContact O-CB 3.43Å; L758-L762 PolarHBondContact O-N 2.74Å; L758-V788 HydrophobicContact CD2-CG1 4.01Å; L758-V788 HydrophobicContact CG-CG1 4.2Å; L758-I877 HydrophobicContact CD1-CG2 3.91Å; L758-A880 HydrophobicContact CD1-CB 3.78Å; L758-A881 HydrophobicContact CD2-CB 4.04Å
759	L	90	Very high	85.3	Confident	1 Å²	1	24 Å²	24	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-67.2	-36.9	178.3	-72.6	173.3	0	0	0	112.3	P662 Q665 A666 K755 F756 V757 T763 V788 T789	P662-L759 HydrophobicContact CB-CD2 4.24Å; Q665-L759 HydrophobicContact CB-CD1 3.8Å; A666-L759 HydrophobicContact CB-CB 3.94Å; K755-L759 HydrophobicContact CG-CD1 3.94Å; K755-L759 HydrophobicContact CG-CG 4.32Å; K755-L759 WeakPolarHBondContact O-CB 3.44Å; K755-L759 VanDerWaalsContact O-CG 3.26Å; K755-L759 WeakPolarHBondContact O-CG 3.18Å; K755-L759 PolarHBondContact O-N 3.36Å; F756-L759 PolarHBondContact O-N 3.05Å; V757-L759 PolarHBondContact O-N 3.48Å; L759-T763 WeakPolarHBondContact O-CB 3.29Å; L759-T763 PolarHBondContact O-N 3.05Å; L759-T763 PolarHBondContact O-OG1 2.88Å; L759-V788 HydrophobicContact CD2-CG1 4.16Å; L759-T789 HydrophobicContact CD2-CG2 3.75Å
760	L	88.7	Confident	86.2	Confident	80 Å²	80	23.3 Å²	23.3	42%	0.419	13%	0.133	S	C	.	.	H	α-helix	trans	-65.6	-46.2	175.2	-173.6	66.9	0	0	0	111	F756 V757 T763 L764	F756-L760 PolarHBondContact O-N 3.47Å; V757-L760 PolarHBondContact O-N 3.44Å; L760-T763 PolarHBondContact O-N 3.36Å; L760-L764 WeakPolarHBondContact O-CB 3.36Å; L760-L764 PolarHBondContact O-N 3.49Å
761	L	85.4	Confident	86.9	Confident	19 Å²	19	27.7 Å²	27.7	10%	0.099	16%	0.161	C	C	.	.	H	α-helix	trans	-61.9	-44.2	176.4	-176.6	64.6	0	0	0	111	L696 F700 V757 L758 T763 L764 T765 I877	L696-L761 HydrophobicContact CD2-CB 4.13Å; L696-L761 HydrophobicContact CD2-CD2 3.46Å; L696-L761 VanDerWaalsContact CD2-CD2 3.46Å; L696-L761 HydrophobicContact CD2-CG 4.41Å; L696-L761 HydrophobicContact CG-CD2 3.97Å; F700-L761 HydrophobicContact CD1-CD1 4.45Å; F700-L761 HydrophobicContact CD2-CD1 4.04Å; F700-L761 HydrophobicContact CD2-CD2 3.88Å; F700-L761 HydrophobicContact CD2-CG 4.37Å; F700-L761 HydrophobicContact CE1-CD1 4.39Å; F700-L761 HydrophobicContact CE2-CD1 3.93Å; F700-L761 HydrophobicContact CE2-CD2 4.3Å; F700-L761 HydrophobicContact CE2-CG 4.34Å; F700-L761 HydrophobicContact CG-CD1 4.3Å; F700-L761 HydrophobicContact CG-CD2 4.43Å; F700-L761 HydrophobicContact CZ-CD1 4.15Å; V757-L761 WeakPolarHBondContact O-CB 3.24Å; V757-L761 PolarHBondContact O-N 3.36Å; L758-L761 PolarHBondContact O-N 2.98Å; L761-T763 VanDerWaalsContact C-N 3.34Å; L761-T763 PolarHBondContact O-N 3.06Å; L761-L764 PolarHBondContact O-N 3.48Å; L761-T765 HydrophobicContact CD1-CG2 3.93Å; L761-T765 HydrophobicContact CG-CG2 4.18Å; L761-T765 WeakPolarHBondContact O-CB 3.22Å; L761-T765 WeakPolarHBondContact O-CG2 3.44Å; L761-T765 PolarHBondContact O-N 3.21Å; L761-T765 PolarHBondContact O-OG1 3.42Å; L761-I877 HydrophobicContact CD2-CG1 4.14Å; L761-I877 HydrophobicContact CG-CD1 4.5Å; L761-I877 HydrophobicContact CG-CG1 4.37Å
762	L	90.5	Very high	87.4	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-58.4	-46	174.6	177.7	67.6	0	0	0	111.7	P662 L758 T765 V766 F784 V788 I877	P662-L762 HydrophobicContact CB-CD2 4.45Å; L758-L762 WeakPolarHBondContact O-CB 3.43Å; L758-L762 PolarHBondContact O-N 2.74Å; L762-T765 WeakPolarHBondContact CA-OG1 3.42Å; L762-T765 PolarHBondContact O-OG1 2.93Å; L762-V766 HydrophobicContact CD1-CG2 3.71Å; L762-V766 HydrophobicContact CG-CG2 4.33Å; L762-V766 WeakPolarHBondContact O-CB 3.48Å; L762-V766 VanDerWaalsContact O-CG2 3.25Å; L762-V766 WeakPolarHBondContact O-CG2 3.2Å; L762-V766 PolarHBondContact O-N 3.32Å; L762-F784 HydrophobicContact CD1-CB 4.26Å; L762-F784 HydrophobicContact CD1-CD1 4.27Å; L762-V788 HydrophobicContact CD2-CB 3.69Å; L762-V788 HydrophobicContact CD2-CG1 3.84Å; L762-V788 HydrophobicContact CD2-CG2 4.15Å; L762-I877 HydrophobicContact CB-CG2 4.39Å; L762-I877 HydrophobicContact CD1-CG2 4.1Å
763	T	93.1	Very high	87.9	Confident	17 Å²	17	29.6 Å²	29.6	10%	0.104	17%	0.169	C	C	.	.	H	α-helix	trans	-60.9	-48.9	179.4	-53	0	0	0	0	110.7	P662 L663 L759 L760 L761 A767	P662-T763 VanDerWaalsContact CB-OG1 3.29Å; P662-T763 WeakPolarHBondContact CB-OG1 3.23Å; P662-T763 HydrophobicContact CG-CG2 4.28Å; P662-T763 VanDerWaalsContact CG-OG1 3.24Å; P662-T763 WeakPolarHBondContact CG-OG1 3.39Å; L663-T763 HydrophobicContact CB-CG2 4.22Å; L759-T763 WeakPolarHBondContact O-CB 3.29Å; L759-T763 PolarHBondContact O-N 3.05Å; L759-T763 PolarHBondContact O-OG1 2.88Å; L760-T763 PolarHBondContact O-N 3.36Å; L761-T763 VanDerWaalsContact C-N 3.34Å; L761-T763 PolarHBondContact O-N 3.06Å; T763-A767 WeakPolarHBondContact O-CB 3.43Å; T763-A767 PolarHBondContact O-N 2.81Å
764	L	91.4	Very high	88.5	Confident	111 Å²	111	30 Å²	30	58%	0.581	17%	0.17	S	C	*	.	H	α-helix	trans	-64	-45.5	-178.1	-174.9	66	0	0	0	111.3	L760 L761 A767 S768	L760-L764 WeakPolarHBondContact O-CB 3.36Å; L760-L764 PolarHBondContact O-N 3.49Å; L761-L764 PolarHBondContact O-N 3.48Å; L764-A767 PolarHBondContact O-N 3.48Å; L764-S768 PolarHBondContact O-N 3.45Å; L764-S768 PolarHBondContact O-OG 2.84Å
765	T	88.9	Confident	89.1	Confident	7 Å²	7	29.8 Å²	29.8	4%	0.043	17%	0.169	C	C	.	.	H	α-helix	trans	-66.7	-47	-178.2	50.5	0	0	0	0	112.6	F700 L761 L762 A767 S768 I769 I873 I877	F700-T765 HydrophobicContact CE2-CG2 3.47Å; F700-T765 VanDerWaalsContact CE2-CG2 3.47Å; F700-T765 HydrophobicContact CZ-CG2 3.39Å; L761-T765 HydrophobicContact CD1-CG2 3.93Å; L761-T765 HydrophobicContact CG-CG2 4.18Å; L761-T765 WeakPolarHBondContact O-CB 3.22Å; L761-T765 WeakPolarHBondContact O-CG2 3.44Å; L761-T765 PolarHBondContact O-N 3.21Å; L761-T765 PolarHBondContact O-OG1 3.42Å; L762-T765 WeakPolarHBondContact CA-OG1 3.42Å; L762-T765 PolarHBondContact O-OG1 2.93Å; T765-A767 VanDerWaalsContact C-N 3.27Å; T765-A767 PolarHBondContact O-N 3.12Å; T765-S768 PolarHBondContact O-N 2.87Å; T765-I769 WeakPolarHBondContact O-CB 3.18Å; T765-I769 WeakPolarHBondContact O-CD1 3.07Å; T765-I769 WeakPolarHBondContact O-CG1 3.41Å; T765-I769 PolarHBondContact O-N 3.45Å; T765-I873 HydrophobicContact CG2-CG2 4.34Å; T765-I877 HydrophobicContact CG2-CD1 3.82Å; T765-I877 WeakPolarHBondContact OG1-CD1 3.48Å
766	V	92.2	Very high	89.4	Confident	2 Å²	2	29 Å²	29	1%	0.012	17%	0.166	C	C	.	.	H	α-helix	trans	-65.4	-35.1	177.2	179.3	0	0	0	0	110.7	L659 L762 S770 F780 S781	L659-V766 HydrophobicContact CD2-CB 3.87Å; L659-V766 HydrophobicContact CD2-CG1 3.73Å; L762-V766 HydrophobicContact CD1-CG2 3.71Å; L762-V766 HydrophobicContact CG-CG2 4.33Å; L762-V766 WeakPolarHBondContact O-CB 3.48Å; L762-V766 VanDerWaalsContact O-CG2 3.25Å; L762-V766 WeakPolarHBondContact O-CG2 3.2Å; L762-V766 PolarHBondContact O-N 3.32Å; V766-S770 WeakPolarHBondContact O-CB 3.46Å; V766-S770 PolarHBondContact O-N 3.34Å; V766-S770 PolarHBondContact O-OG 3.18Å; V766-F780 HydrophobicContact CG2-CB 4.47Å; V766-S781 WeakPolarHBondContact CG1-OG 3.46Å
767	A	93	Very high	89.6	Confident	29 Å²	29	27.7 Å²	27.7	24%	0.24	16%	0.16	C	C	.	.	H	α-helix	trans	-65.6	-41.1	172.7	0	0	0	0	0	112.5	L659 T763 L764 T765 S770 V771	L659-A767 HydrophobicContact CD1-CB 3.8Å; L659-A767 HydrophobicContact CD2-CB 4.23Å; T763-A767 WeakPolarHBondContact O-CB 3.43Å; T763-A767 PolarHBondContact O-N 2.81Å; L764-A767 PolarHBondContact O-N 3.48Å; T765-A767 VanDerWaalsContact C-N 3.27Å; T765-A767 PolarHBondContact O-N 3.12Å; A767-S770 PolarHBondContact O-OG 3.18Å; A767-V771 WeakPolarHBondContact O-CG2 3.33Å; A767-V771 PolarHBondContact O-N 3.44Å
768	S	91	Very high	90.1	Very high	61 Å²	61	28.1 Å²	28.1	43%	0.427	16%	0.162	S	C	.	.	H	α-helix	trans	-66.4	-45.1	174.8	-60.6	0	0	0	0	111.5	L764 T765 S770 V771 L772	L764-S768 PolarHBondContact O-N 3.45Å; L764-S768 PolarHBondContact O-OG 2.84Å; T765-S768 PolarHBondContact O-N 2.87Å; S768-S770 VanDerWaalsContact C-N 3.3Å; S768-S770 PolarHBondContact O-N 3.46Å; S768-V771 PolarHBondContact O-N 2.8Å; S768-L772 WeakPolarHBondContact O-CG 3.38Å; S768-L772 PolarHBondContact O-N 3.49Å; S768-L772 VanDerWaalsContact O-N 3.11Å
769	I	90.5	Very high	90.4	Very high	8 Å²	8	29.4 Å²	29.4	4%	0.041	17%	0.17	C	C	.	.	H	α-helix	trans	-61.7	-40.1	178.4	-65.4	162	0	0	0	110.3	T765 V771 L772 N773 L776 I870	T765-I769 WeakPolarHBondContact O-CB 3.18Å; T765-I769 WeakPolarHBondContact O-CD1 3.07Å; T765-I769 WeakPolarHBondContact O-CG1 3.41Å; T765-I769 PolarHBondContact O-N 3.45Å; I769-V771 VanDerWaalsContact C-N 3.27Å; I769-V771 PolarHBondContact O-N 2.92Å; I769-L772 PolarHBondContact O-N 3.47Å; I769-N773 CarbonylContact O-C 3.52Å; I769-N773 VanDerWaalsContact O-C 3.29Å; I769-N773 PolarHBondContact O-N 3.11Å; I769-L776 HydrophobicContact CG2-CB 4.1Å; I769-L776 HydrophobicContact CG2-CD2 3.99Å; I769-L776 HydrophobicContact CG2-CG 3.99Å; I769-I870 HydrophobicContact CD1-CG2 3.62Å; I769-I870 HydrophobicContact CG1-CG2 3.84Å; I769-I870 HydrophobicContact CG2-CG2 4.2Å
770	S	90.7	Very high	90.5	Very high	12 Å²	12	29.4 Å²	29.4	8%	0.084	17%	0.17	C	C	.	.	H	α-helix	trans	-67.2	-26.5	-179.9	69	0	0	0	0	114.5	V766 A767 S768 F774	V766-S770 WeakPolarHBondContact O-CB 3.46Å; V766-S770 PolarHBondContact O-N 3.34Å; V766-S770 PolarHBondContact O-OG 3.18Å; A767-S770 PolarHBondContact O-OG 3.18Å; S768-S770 VanDerWaalsContact C-N 3.3Å; S768-S770 PolarHBondContact O-N 3.46Å; S770-F774 VanDerWaalsContact O-CA 3.32Å; S770-F774 WeakPolarHBondContact O-CA 3.5Å
771	V	89	Confident	90.6	Very high	109 Å²	109	25.6 Å²	25.6	66%	0.661	15%	0.15	S	C	*	.	H	α-helix	trans	-77	-40.4	173	174.4	0	0	0	0	111	A767 S768 I769	A767-V771 WeakPolarHBondContact O-CG2 3.33Å; A767-V771 PolarHBondContact O-N 3.44Å; S768-V771 PolarHBondContact O-N 2.8Å; I769-V771 VanDerWaalsContact C-N 3.27Å; I769-V771 PolarHBondContact O-N 2.92Å
772	L	86.3	Confident	91	Very high	89 Å²	89	26.6 Å²	26.6	47%	0.466	16%	0.159	S	C	.	.	H	α-helix	trans	-75.5	-48.3	-178.9	-62.9	177.2	0	0	0	112.5	S768 I769 W866	S768-L772 WeakPolarHBondContact O-CG 3.38Å; S768-L772 PolarHBondContact O-N 3.49Å; S768-L772 VanDerWaalsContact O-N 3.11Å; I769-L772 PolarHBondContact O-N 3.47Å; L772-W866 HydrophobicContact CB-CZ3 4.32Å; L772-W866 HydrophobicContact CD1-CE3 4.36Å; L772-W866 HydrophobicContact CD1-CZ3 4.21Å; L772-W866 HydrophobicContact CD2-CZ3 3.95Å; L772-W866 HydrophobicContact CG-CZ3 4.38Å
773	N	89.9	Confident	91	Very high	5 Å²	5	28 Å²	28	3%	0.027	17%	0.168	C	C	.	.			trans	-138.7	98.2	177.5	-175.7	-33.3	0	0	0	109	Q572 I769 G775 L776 G777	Q572-N773 PolarHBondContact O-ND2 3.29Å; Q572-N773 PolarHBondContact O-OD1 2.9Å; I769-N773 CarbonylContact O-C 3.52Å; I769-N773 VanDerWaalsContact O-C 3.29Å; I769-N773 PolarHBondContact O-N 3.11Å; N773-G775 PolarHBondContact O-N 2.99Å; N773-G775 PolarHBondContact OD1-N 3.4Å; N773-L776 HydrophobicContact CB-CB 4Å; N773-L776 PolarHBondContact O-N 3.11Å; N773-L776 PolarHBondContact OD1-N 3.17Å; N773-G777 PolarHBondContact O-N 2.98Å
774	F	90.9	Very high	90.8	Very high	15 Å²	15	27.3 Å²	27.3	7%	0.066	16%	0.164	C	C	.	.	H	α-helix	trans	-58.8	-45.1	-175.6	177.2	-106	0	0	0	113	Y317 L569 Y651 I655 S770 L776 G777 L778	Y317-F774 HydrophobicContact CE1-CZ 4.02Å; Y317-F774 WeakPolarHBondContact OH-CZ 2.97Å; L569-F774 HydrophobicContact CD2-CD1 3.56Å; L569-F774 HydrophobicContact CD2-CE1 3.47Å; L569-F774 VanDerWaalsContact CD2-CE1 3.47Å; Y651-F774 AromaticContact CD2-CD1 3.76Å; Y651-F774 HydrophobicContact CD2-CD1 3.76Å; Y651-F774 AromaticContact CD2-CD2 3.73Å; Y651-F774 HydrophobicContact CD2-CD2 3.73Å; Y651-F774 AromaticContact CD2-CE1 3.34Å; Y651-F774 HydrophobicContact CD2-CE1 3.34Å; Y651-F774 AromaticContact CD2-CE2 3.32Å; Y651-F774 HydrophobicContact CD2-CE2 3.32Å; Y651-F774 AromaticContact CD2-CG 3.94Å; Y651-F774 HydrophobicContact CD2-CG 3.94Å; Y651-F774 AromaticContact CD2-CZ 3.12Å; Y651-F774 HydrophobicContact CD2-CZ 3.12Å; Y651-F774 HydrophobicContact CE2-CB 4.23Å; Y651-F774 AromaticContact CE2-CD1 3.46Å; Y651-F774 HydrophobicContact CE2-CD1 3.46Å; Y651-F774 VanDerWaalsContact CE2-CD1 3.46Å; Y651-F774 AromaticContact CE2-CD2 3.46Å; Y651-F774 HydrophobicContact CE2-CD2 3.46Å; Y651-F774 VanDerWaalsContact CE2-CD2 3.46Å; Y651-F774 AromaticContact CE2-CE1 3.59Å; Y651-F774 HydrophobicContact CE2-CE1 3.59Å; Y651-F774 AromaticContact CE2-CE2 3.6Å; Y651-F774 HydrophobicContact CE2-CE2 3.6Å; Y651-F774 AromaticContact CE2-CG 3.39Å; Y651-F774 HydrophobicContact CE2-CG 3.39Å; Y651-F774 AromaticContact CE2-CZ 3.68Å; Y651-F774 HydrophobicContact CE2-CZ 3.68Å; Y651-F774 HydrophobicContact CG-CD1 4.5Å; Y651-F774 AromaticContact CG-CE1 3.87Å; Y651-F774 HydrophobicContact CG-CE1 3.87Å; Y651-F774 HydrophobicContact CG-CE2 4.44Å; Y651-F774 AromaticContact CG-CZ 3.86Å; Y651-F774 HydrophobicContact CG-CZ 3.86Å; I655-F774 HydrophobicContact CB-CE2 4.23Å; I655-F774 HydrophobicContact CD1-CD2 4.3Å; I655-F774 HydrophobicContact CD1-CE2 3.91Å; I655-F774 HydrophobicContact CG2-CE2 4.25Å; S770-F774 VanDerWaalsContact O-CA 3.32Å; S770-F774 WeakPolarHBondContact O-CA 3.5Å; F774-L776 VanDerWaalsContact C-N 3.3Å; F774-L776 PolarHBondContact O-N 2.89Å; F774-G777 PolarHBondContact O-N 3.15Å; F774-L778 HydrophobicContact CE1-CD2 4.17Å; F774-L778 HydrophobicContact CZ-CB 4.38Å; F774-L778 HydrophobicContact CZ-CD2 4.11Å; F774-L778 WeakPolarHBondContact O-CB 3.09Å; F774-L778 PolarHBondContact O-N 3.41Å
775	G	90.7	Very high	90.8	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-57.7	-45.1	179.5	0	0	0	0	0	111.8	A573 N773 V779	A573-G775 VanDerWaalsContact CB-C 3.41Å; N773-G775 PolarHBondContact O-N 2.99Å; N773-G775 PolarHBondContact OD1-N 3.4Å; G775-V779 WeakPolarHBondContact O-CG2 3.5Å; G775-V779 PolarHBondContact O-N 3.44Å
776	L	90.5	Very high	90.9	Very high	6 Å²	6	22.8 Å²	22.8	3%	0.031	14%	0.141	C	C	.	.	H	α-helix	trans	-65.9	-49	177.8	-166.7	64	0	0	0	111.1	A573 I769 N773 F774 L778 V779 F780 M819 I870	A573-L776 HydrophobicContact CB-CB 4.17Å; A573-L776 HydrophobicContact CB-CD1 4.41Å; A573-L776 VanDerWaalsContact CB-N 3.33Å; I769-L776 HydrophobicContact CG2-CB 4.1Å; I769-L776 HydrophobicContact CG2-CD2 3.99Å; I769-L776 HydrophobicContact CG2-CG 3.99Å; N773-L776 HydrophobicContact CB-CB 4Å; N773-L776 PolarHBondContact O-N 3.11Å; N773-L776 PolarHBondContact OD1-N 3.17Å; F774-L776 VanDerWaalsContact C-N 3.3Å; F774-L776 PolarHBondContact O-N 2.89Å; L776-L778 VanDerWaalsContact C-N 3.26Å; L776-L778 PolarHBondContact O-N 3.39Å; L776-V779 PolarHBondContact O-N 2.95Å; L776-V779 VanDerWaalsContact O-N 3.17Å; L776-F780 HydrophobicContact CD1-CD2 3.97Å; L776-F780 HydrophobicContact CD1-CE2 3.6Å; L776-F780 HydrophobicContact CD2-CE2 4.49Å; L776-F780 HydrophobicContact CG-CD2 3.87Å; L776-F780 HydrophobicContact CG-CE2 3.82Å; L776-F780 WeakPolarHBondContact O-CD2 3.21Å; L776-F780 PolarHBondContact O-N 3.49Å; L776-M819 HydrophobicContact CD1-CE 3.96Å; L776-I870 HydrophobicContact CD2-CB 4.19Å; L776-I870 HydrophobicContact CD2-CD1 3.8Å; L776-I870 HydrophobicContact CD2-CG2 3.6Å
777	G	91.3	Very high	90.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59	-36.4	179.6	0	0	0	0	0	113	N773 F774 S781	N773-G777 PolarHBondContact O-N 2.98Å; F774-G777 PolarHBondContact O-N 3.15Å; G777-S781 VanDerWaalsContact O-CB 3.26Å; G777-S781 WeakPolarHBondContact O-CB 3.35Å; G777-S781 PolarHBondContact O-N 2.93Å; G777-S781 PolarHBondContact O-OG 3.13Å
778	L	92.6	Very high	90.6	Very high	14 Å²	14	22.2 Å²	22.2	7%	0.073	14%	0.135	C	C	.	.	H	α-helix	trans	-67.9	-44.5	175.9	-178.2	59.7	0	0	0	112.3	Y317 L569 I655 L658 F774 L776 F780 S781 C782	Y317-L778 HydrophobicContact CD1-CD2 4.29Å; Y317-L778 HydrophobicContact CD2-CD1 3.85Å; Y317-L778 HydrophobicContact CE1-CD1 4.27Å; Y317-L778 HydrophobicContact CE1-CD2 4.04Å; Y317-L778 HydrophobicContact CE2-CD1 3.26Å; Y317-L778 HydrophobicContact CE2-CD2 4.42Å; Y317-L778 HydrophobicContact CE2-CG 4.48Å; L569-L778 HydrophobicContact CD1-CD2 3.69Å; L569-L778 HydrophobicContact CD2-CD2 4.43Å; I655-L778 HydrophobicContact CD1-CB 4.33Å; L658-L778 HydrophobicContact CD1-CD1 3.81Å; F774-L778 HydrophobicContact CE1-CD2 4.17Å; F774-L778 HydrophobicContact CZ-CB 4.38Å; F774-L778 HydrophobicContact CZ-CD2 4.11Å; F774-L778 WeakPolarHBondContact O-CB 3.09Å; F774-L778 PolarHBondContact O-N 3.41Å; L776-L778 VanDerWaalsContact C-N 3.26Å; L776-L778 PolarHBondContact O-N 3.39Å; L778-F780 PolarHBondContact O-N 3.21Å; L778-S781 WeakPolarHBondContact O-CB 3.47Å; L778-S781 PolarHBondContact O-N 2.78Å; L778-C782 PolarHBondContact O-N 3.2Å; L778-C782 PolarHBondContact O-SG 3.42Å; L778-C782 VanDerWaalsContact O-SG 3.39Å
779	V	92	Very high	90.4	Very high	31 Å²	31	20 Å²	20	19%	0.188	12%	0.119	C	C	.	.	H	α-helix	trans	-63.5	-42.7	178.1	175.3	0	0	0	0	111.2	L570 G775 L776 C782 S783 M819	L570-V779 HydrophobicContact CD2-CG2 4.5Å; G775-V779 WeakPolarHBondContact O-CG2 3.5Å; G775-V779 PolarHBondContact O-N 3.44Å; L776-V779 PolarHBondContact O-N 2.95Å; L776-V779 VanDerWaalsContact O-N 3.17Å; V779-C782 PolarHBondContact O-N 3.14Å; V779-S783 WeakPolarHBondContact O-CB 3.15Å; V779-S783 PolarHBondContact O-N 3.05Å; V779-S783 PolarHBondContact O-OG 2.78Å; V779-M819 HydrophobicContact CB-CE 4.13Å; V779-M819 HydrophobicContact CB-SD 4.14Å; V779-M819 HydrophobicContact CG1-CE 4.26Å; V779-M819 HydrophobicContact CG1-CG 4.11Å; V779-M819 HydrophobicContact CG1-SD 3.63Å; V779-M819 HydrophobicContact CG2-CE 3.9Å; V779-M819 HydrophobicContact CG2-SD 4.32Å
780	F	91.2	Very high	90.2	Very high	1 Å²	1	25 Å²	25	0%	0.004	15%	0.145	C	C	.	.	H	α-helix	trans	-64.2	-41.5	173.1	-84	-82.6	0	0	0	111.6	V766 L776 L778 C782 S783 F784 P812 L815 C874	V766-F780 HydrophobicContact CG2-CB 4.47Å; L776-F780 HydrophobicContact CD1-CD2 3.97Å; L776-F780 HydrophobicContact CD1-CE2 3.6Å; L776-F780 HydrophobicContact CD2-CE2 4.49Å; L776-F780 HydrophobicContact CG-CD2 3.87Å; L776-F780 HydrophobicContact CG-CE2 3.82Å; L776-F780 WeakPolarHBondContact O-CD2 3.21Å; L776-F780 PolarHBondContact O-N 3.49Å; L778-F780 PolarHBondContact O-N 3.21Å; F780-C782 VanDerWaalsContact C-N 3.34Å; F780-C782 PolarHBondContact O-N 2.93Å; F780-S783 PolarHBondContact O-N 3.5Å; F780-F784 HydrophobicContact CD1-CB 4.4Å; F780-F784 AromaticContact CD1-CD2 3.27Å; F780-F784 HydrophobicContact CD1-CD2 3.27Å; F780-F784 AromaticContact CD1-CE2 3.64Å; F780-F784 HydrophobicContact CD1-CE2 3.64Å; F780-F784 AromaticContact CD1-CG 3.96Å; F780-F784 HydrophobicContact CD1-CG 3.96Å; F780-F784 AromaticContact CE1-CD2 3.58Å; F780-F784 HydrophobicContact CE1-CD2 3.58Å; F780-F784 AromaticContact CE1-CE2 3.39Å; F780-F784 HydrophobicContact CE1-CE2 3.39Å; F780-F784 HydrophobicContact CE1-CZ 4.25Å; F780-F784 HydrophobicContact CG-CD2 4.43Å; F780-F784 WeakPolarHBondContact O-CA 3.48Å; F780-F784 VanDerWaalsContact O-CB 3.27Å; F780-F784 WeakPolarHBondContact O-CB 3.14Å; F780-F784 PolarHBondContact O-N 2.82Å; F780-P812 HydrophobicContact CE1-CB 4.36Å; F780-P812 HydrophobicContact CZ-CB 4.31Å; F780-L815 HydrophobicContact CE1-CD1 4.29Å; F780-C874 HydrophobicContact CD1-CB 4.34Å; F780-C874 HydrophobicContact CE1-CB 3.53Å; F780-C874 WeakPolarHBondContact CE1-SG 3.5Å; F780-C874 HydrophobicContact CZ-CB 3.91Å
781	S	92.5	Very high	89.9	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.5	-42.2	175.6	-63.3	0	0	0	0	112.3	V766 G777 L778 V785	V766-S781 WeakPolarHBondContact CG1-OG 3.46Å; G777-S781 VanDerWaalsContact O-CB 3.26Å; G777-S781 WeakPolarHBondContact O-CB 3.35Å; G777-S781 PolarHBondContact O-N 2.93Å; G777-S781 PolarHBondContact O-OG 3.13Å; L778-S781 WeakPolarHBondContact O-CB 3.47Å; L778-S781 PolarHBondContact O-N 2.78Å; S781-V785 VanDerWaalsContact O-CB 3.25Å; S781-V785 WeakPolarHBondContact O-CB 3.45Å; S781-V785 WeakPolarHBondContact O-CG2 3.36Å
782	C	92.6	Very high	89.5	Confident	40 Å²	40	26.5 Å²	26.5	27%	0.27	14%	0.137	S	C	.	.	H	α-helix	trans	-72.1	-32.2	179.8	-70.8	0	0	0	0	112.6	Y310 L778 V779 F780 P786	Y310-C782 PolarHBondContact OH-O 3.23Å; L778-C782 PolarHBondContact O-N 3.2Å; L778-C782 PolarHBondContact O-SG 3.42Å; L778-C782 VanDerWaalsContact O-SG 3.39Å; V779-C782 PolarHBondContact O-N 3.14Å; F780-C782 VanDerWaalsContact C-N 3.34Å; F780-C782 PolarHBondContact O-N 2.93Å; C782-P786 WeakPolarHBondContact O-CD 3.45Å; C782-P786 VanDerWaalsContact O-CG 3.29Å; C782-P786 WeakPolarHBondContact O-CG 3.37Å
783	S	90.5	Very high	89	Confident	31 Å²	31	24.8 Å²	24.8	22%	0.217	13%	0.132	C	C	.	.	H	α-helix	trans	-99.6	-54	-171.6	-45.3	0	0	0	0	113.5	V779 F780 P786	V779-S783 WeakPolarHBondContact O-CB 3.15Å; V779-S783 PolarHBondContact O-N 3.05Å; V779-S783 PolarHBondContact O-OG 2.78Å; F780-S783 PolarHBondContact O-N 3.5Å; S783-P786 WeakPolarHBondContact O-CD 3.43Å; S783-P786 WeakPolarHBondContact O-CG 3.28Å
784	F	89.1	Confident	88.3	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.009	14%	0.143	C	C	.	.	H	α-helix	trans	-72.5	-43.8	-174.4	-104.3	-98.7	0	0	0	113.6	L762 F780 V787 V788 V810 P812 L815 W878	L762-F784 HydrophobicContact CD1-CB 4.26Å; L762-F784 HydrophobicContact CD1-CD1 4.27Å; F780-F784 HydrophobicContact CD1-CB 4.4Å; F780-F784 AromaticContact CD1-CD2 3.27Å; F780-F784 HydrophobicContact CD1-CD2 3.27Å; F780-F784 AromaticContact CD1-CE2 3.64Å; F780-F784 HydrophobicContact CD1-CE2 3.64Å; F780-F784 AromaticContact CD1-CG 3.96Å; F780-F784 HydrophobicContact CD1-CG 3.96Å; F780-F784 AromaticContact CE1-CD2 3.58Å; F780-F784 HydrophobicContact CE1-CD2 3.58Å; F780-F784 AromaticContact CE1-CE2 3.39Å; F780-F784 HydrophobicContact CE1-CE2 3.39Å; F780-F784 HydrophobicContact CE1-CZ 4.25Å; F780-F784 HydrophobicContact CG-CD2 4.43Å; F780-F784 WeakPolarHBondContact O-CA 3.48Å; F780-F784 VanDerWaalsContact O-CB 3.27Å; F780-F784 WeakPolarHBondContact O-CB 3.14Å; F780-F784 PolarHBondContact O-N 2.82Å; F784-V787 PolarHBondContact O-N 3.27Å; F784-V788 HydrophobicContact CD1-CG2 4.1Å; F784-V788 WeakPolarHBondContact O-CG2 3.24Å; F784-V788 PolarHBondContact O-N 3.48Å; F784-V810 HydrophobicContact CB-CG1 4.15Å; F784-V810 HydrophobicContact CD1-CG1 4.01Å; F784-V810 HydrophobicContact CD2-CG1 3.2Å; F784-V810 HydrophobicContact CE1-CG1 4.2Å; F784-V810 HydrophobicContact CE2-CG1 3.45Å; F784-V810 VanDerWaalsContact CE2-CG1 3.45Å; F784-V810 WeakPolarHBondContact CE2-O 3.31Å; F784-V810 HydrophobicContact CG-CG1 3.51Å; F784-V810 HydrophobicContact CZ-CG1 3.92Å; F784-V810 WeakPolarHBondContact CZ-O 3.36Å; F784-P812 HydrophobicContact CE2-CG 4.05Å; F784-P812 HydrophobicContact CZ-CG 3.66Å; F784-L815 HydrophobicContact CD2-CD1 3.71Å; F784-L815 HydrophobicContact CE2-CD1 3.67Å; F784-W878 HydrophobicContact CE1-CB 4.06Å; F784-W878 HydrophobicContact CZ-CB 4.07Å; F784-W878 AromaticContact CZ-CD1 3.98Å; F784-W878 HydrophobicContact CZ-CG 4.43Å
785	V	90.9	Very high	87.5	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-56.8	-53.4	-176.7	170	0	0	0	0	113.4	V661 P662 S781 V787 T789	V661-V785 HydrophobicContact CB-CG1 3.74Å; V661-V785 HydrophobicContact CG1-CG1 3.88Å; V661-V785 HydrophobicContact CG2-CG1 4.4Å; P662-V785 HydrophobicContact CG-CG1 4.27Å; P662-V785 HydrophobicContact CG-CG2 4.4Å; S781-V785 VanDerWaalsContact O-CB 3.25Å; S781-V785 WeakPolarHBondContact O-CB 3.45Å; S781-V785 WeakPolarHBondContact O-CG2 3.36Å; V785-V787 VanDerWaalsContact C-N 3.33Å; V785-V787 PolarHBondContact O-N 3.06Å; V785-T789 HydrophobicContact CG1-CG2 4.28Å; V785-T789 VanDerWaalsContact O-CB 3.31Å; V785-T789 WeakPolarHBondContact O-CB 3.35Å; V785-T789 WeakPolarHBondContact O-CG2 3.41Å; V785-T789 PolarHBondContact O-N 3.14Å; V785-T789 PolarHBondContact O-OG1 3.5Å
786	P	91.3	Very high	87.1	Confident	23 Å²	23	38 Å²	38	15%	0.149	20%	0.195	C	C	.	.	H	α-helix	trans	-64	-39	-178	26.7	-37	0	0	0	111.8	Y310 C782 S783 T789 L790	Y310-P786 HydrophobicContact CE1-CB 4.47Å; Y310-P786 HydrophobicContact CE2-CB 4.09Å; Y310-P786 HydrophobicContact CE2-CG 3.92Å; C782-P786 WeakPolarHBondContact O-CD 3.45Å; C782-P786 VanDerWaalsContact O-CG 3.29Å; C782-P786 WeakPolarHBondContact O-CG 3.37Å; S783-P786 WeakPolarHBondContact O-CD 3.43Å; S783-P786 WeakPolarHBondContact O-CG 3.28Å; P786-T789 PolarHBondContact O-OG1 3.36Å; P786-T789 VanDerWaalsContact O-OG1 3.13Å; P786-L790 VanDerWaalsContact O-CB 3.28Å; P786-L790 WeakPolarHBondContact O-CB 3.38Å; P786-L790 WeakPolarHBondContact O-CD1 3.36Å; P786-L790 WeakPolarHBondContact O-CG 3.41Å; P786-L790 PolarHBondContact O-N 3.37Å; P786-L790 VanDerWaalsContact O-N 3.12Å
787	V	90.4	Very high	86.6	Confident	17 Å²	17	41.3 Å²	41.3	10%	0.103	21%	0.212	C	C	.	.	H	α-helix	trans	-65.9	-52.8	-179.4	175.1	0	0	0	0	110.8	F784 V785 T789 L790 M791 L806 V810	F784-V787 PolarHBondContact O-N 3.27Å; V785-V787 VanDerWaalsContact C-N 3.33Å; V785-V787 PolarHBondContact O-N 3.06Å; V787-T789 VanDerWaalsContact C-N 3.33Å; V787-T789 PolarHBondContact O-N 2.87Å; V787-L790 PolarHBondContact O-N 3.26Å; V787-M791 HydrophobicContact CG1-SD 4.49Å; V787-M791 VanDerWaalsContact O-CG 3.26Å; V787-M791 WeakPolarHBondContact O-CG 3.34Å; V787-M791 PolarHBondContact O-N 3.03Å; V787-L806 HydrophobicContact CG1-CB 4.09Å; V787-L806 HydrophobicContact CG2-CB 4.36Å; V787-V810 HydrophobicContact CB-CG2 4.28Å; V787-V810 HydrophobicContact CG2-CB 4.49Å; V787-V810 HydrophobicContact CG2-CG2 3.62Å
788	V	87.9	Confident	86.2	Confident	3 Å²	3	50.1 Å²	50.1	2%	0.018	25%	0.247	C	C	.	.	H	α-helix	trans	-67.2	-33.3	-176.9	-179.3	0	0	0	0	112.4	L758 L759 L762 F784 M791 A881	L758-V788 HydrophobicContact CD2-CG1 4.01Å; L758-V788 HydrophobicContact CG-CG1 4.2Å; L759-V788 HydrophobicContact CD2-CG1 4.16Å; L762-V788 HydrophobicContact CD2-CB 3.69Å; L762-V788 HydrophobicContact CD2-CG1 3.84Å; L762-V788 HydrophobicContact CD2-CG2 4.15Å; F784-V788 HydrophobicContact CD1-CG2 4.1Å; F784-V788 WeakPolarHBondContact O-CG2 3.24Å; F784-V788 PolarHBondContact O-N 3.48Å; V788-M791 HydrophobicContact CB-SD 4.48Å; V788-M791 HydrophobicContact CG2-SD 4.44Å; V788-A881 HydrophobicContact CG2-CB 4.49Å
789	T	87.5	Confident	85.8	Confident	14 Å²	14	50.6 Å²	50.6	9%	0.086	25%	0.253	C	S	.	.	H	α-helix	trans	-71.6	-37.5	178	54.9	0	0	0	0	113.1	V661 P662 Q665 K755 L759 V785 P786 V787 M791	V661-T789 HydrophobicContact CG1-CG2 4.17Å; P662-T789 HydrophobicContact CB-CG2 3.97Å; Q665-T789 HydrophobicContact CG-CG2 4.31Å; K755-T789 PolarHBondContact NZ-O 3.41Å; L759-T789 HydrophobicContact CD2-CG2 3.75Å; V785-T789 HydrophobicContact CG1-CG2 4.28Å; V785-T789 VanDerWaalsContact O-CB 3.31Å; V785-T789 WeakPolarHBondContact O-CB 3.35Å; V785-T789 WeakPolarHBondContact O-CG2 3.41Å; V785-T789 PolarHBondContact O-N 3.14Å; V785-T789 PolarHBondContact O-OG1 3.5Å; P786-T789 PolarHBondContact O-OG1 3.36Å; P786-T789 VanDerWaalsContact O-OG1 3.13Å; V787-T789 VanDerWaalsContact C-N 3.33Å; V787-T789 PolarHBondContact O-N 2.87Å; T789-M791 VanDerWaalsContact C-N 3.32Å
790	L	86.5	Confident	85.4	Confident	114 Å²	114	50.8 Å²	50.8	60%	0.597	25%	0.251	S	S	*	.	H	α-helix	trans	-75.3	-18.8	179.5	-70.8	173.3	0	0	0	113.6	P786 V787	P786-L790 VanDerWaalsContact O-CB 3.28Å; P786-L790 WeakPolarHBondContact O-CB 3.38Å; P786-L790 WeakPolarHBondContact O-CD1 3.36Å; P786-L790 WeakPolarHBondContact O-CG 3.41Å; P786-L790 PolarHBondContact O-N 3.37Å; P786-L790 VanDerWaalsContact O-N 3.12Å; V787-L790 PolarHBondContact O-N 3.26Å
791	M	84.1	Confident	85.1	Confident	4 Å²	4	54.8 Å²	54.8	2%	0.02	27%	0.272	C	S	.	.			trans	-57.8	137.2	178.5	-77.5	165.3	60	0	0	113.1	K755 V787 V788 T789 L807 A881 Y884 I885	K755-M791 PolarHBondContact NZ-O 3.11Å; V787-M791 HydrophobicContact CG1-SD 4.49Å; V787-M791 VanDerWaalsContact O-CG 3.26Å; V787-M791 WeakPolarHBondContact O-CG 3.34Å; V787-M791 PolarHBondContact O-N 3.03Å; V788-M791 HydrophobicContact CB-SD 4.48Å; V788-M791 HydrophobicContact CG2-SD 4.44Å; T789-M791 VanDerWaalsContact C-N 3.32Å; M791-L807 HydrophobicContact SD-CD1 4.34Å; M791-A881 HydrophobicContact CE-CB 3.55Å; M791-A881 WeakPolarHBondContact CE-O 3.21Å; M791-A881 HydrophobicContact SD-CB 4.08Å; M791-Y884 HydrophobicContact CB-CE1 4.46Å; M791-Y884 HydrophobicContact CE-CD1 4.16Å; M791-I885 HydrophobicContact CE-CD1 3.23Å; M791-I885 HydrophobicContact CE-CG1 3.35Å; M791-I885 HydrophobicContact CG-CD1 4.02Å; M791-I885 HydrophobicContact CG-CG1 4.49Å; M791-I885 HydrophobicContact SD-CD1 4.05Å
792	R	80.4	Confident	84.8	Confident	147 Å²	147	57.8 Å²	57.8	56%	0.555	29%	0.293	S	S	*	.			trans	-148.1	138.7	179	-63.5	-178.8	-171.6	174.9	4.2	109.8	S794 Q803	R792-S794 PolarHBondContact O-N 2.81Å; R792-Q803 VanDerWaalsContact N-OE1 3.08Å; R792-Q803 PolarHBondContact O-NE2 3.15Å; R792-Q803 PolarHBondContact O-OE1 3.5Å; R792-Q803 VanDerWaalsContact O-OE1 3.13Å
793	C	75.4	Confident	84.6	Confident	53 Å²	53	57 Å²	57	36%	0.358	29%	0.286	S	S	.	.			trans	-59.1	122	167.6	-58.6	0	0	0	0	109.5	Y884	C793-Y884 VanDerWaalsContact SG-CE2 3.57Å
794	S	75.3	Confident	84.4	Confident	38 Å²	38	58.1 Å²	58.1	27%	0.266	29%	0.289	S	S	.	.			trans	-138.8	136.7	178.6	-175.3	0	0	0	0	110.3	R792 S796 A799 S888	R792-S794 PolarHBondContact O-N 2.81Å; S794-S796 PolarHBondContact O-N 3.18Å; S794-S796 PolarHBondContact OG-N 3Å; S794-A799 WeakPolarHBondContact OG-CB 3.33Å; S794-S888 WeakPolarHBondContact O-CB 3.11Å; S794-S888 PolarHBondContact O-OG 2.81Å
795	R	74	Confident	84.3	Confident	206 Å²	206	62.4 Å²	62.4	78%	0.777	32%	0.315	S	S	*	.	S	Bend	trans	-75.5	-12.1	174.8	-65.6	-174.6	-179.3	169.6	4	113	E744	E744-R795 IonicContact OE1-NH2 3.23Å; E744-R795 PolarHBondContact OE1-NH2 3.38Å
796	S	82.4	Confident	84.2	Confident	54 Å²	54	66.7 Å²	66.7	38%	0.378	34%	0.337	S	S	.	.			trans	-77.2	127.1	-178.9	170.8	0	0	0	0	111.4	S794 Y798 A799 F800	S794-S796 PolarHBondContact O-N 3.18Å; S794-S796 PolarHBondContact OG-N 3Å; S796-Y798 VanDerWaalsContact C-N 3.29Å; S796-Y798 PolarHBondContact O-N 2.78Å; S796-Y798 PolarHBondContact OG-N 3.02Å; S796-A799 PolarHBondContact O-N 2.99Å; S796-A799 PolarHBondContact OG-N 3.43Å; S796-F800 PolarHBondContact O-N 2.98Å
797	I	79.9	Confident	84	Confident	76 Å²	76	65.6 Å²	65.6	39%	0.39	33%	0.33	S	S	.	.	H	α-helix	trans	-61.1	-37.4	177.7	-159	162.8	0	0	0	112.3	F800 L801 Y889	I797-F800 PolarHBondContact O-N 2.89Å; I797-L801 HydrophobicContact CG1-CD1 4.22Å; I797-L801 HydrophobicContact CG1-CG 4.47Å; I797-L801 WeakPolarHBondContact O-CB 3.47Å; I797-L801 VanDerWaalsContact O-CG 3.27Å; I797-L801 WeakPolarHBondContact O-CG 3.46Å; I797-L801 PolarHBondContact O-N 3.48Å; I797-Y889 HydrophobicContact CB-CE2 4.32Å; I797-Y889 HydrophobicContact CD1-CE2 3.95Å; I797-Y889 HydrophobicContact CG1-CE2 4.01Å
798	Y	83.8	Confident	83.9	Confident	185 Å²	185	68 Å²	68	73%	0.725	35%	0.345	S	S	*	.	H	α-helix	trans	-66.7	-41.2	177.1	-63.5	-73	0	0	0	111.4	S796 S802	S796-Y798 VanDerWaalsContact C-N 3.29Å; S796-Y798 PolarHBondContact O-N 2.78Å; S796-Y798 PolarHBondContact OG-N 3.02Å; Y798-S802 WeakPolarHBondContact O-CB 3.39Å; Y798-S802 PolarHBondContact O-N 2.82Å; Y798-S802 PolarHBondContact O-OG 3.42Å
799	A	83.4	Confident	83.7	Confident	24 Å²	24	73.1 Å²	73.1	20%	0.198	37%	0.37	C	S	.	.	H	α-helix	trans	-65.7	-42.1	176.5	0	0	0	0	0	111	S794 S796 S802 Q803	S794-A799 WeakPolarHBondContact OG-CB 3.33Å; S796-A799 PolarHBondContact O-N 2.99Å; S796-A799 PolarHBondContact OG-N 3.43Å; A799-S802 PolarHBondContact O-OG 3.38Å; A799-Q803 VanDerWaalsContact O-CG 3.31Å; A799-Q803 WeakPolarHBondContact O-CG 2.97Å; A799-Q803 PolarHBondContact O-N 3.46Å; A799-Q803 VanDerWaalsContact O-N 3.09Å
800	F	83.3	Confident	83.7	Confident	34 Å²	34	73 Å²	73	15%	0.149	37%	0.369	C	S	.	.	H	α-helix	trans	-59.3	-53	174.4	174.8	-96.1	0	0	0	111.8	S796 I797 S802 Q803 L804 I885	S796-F800 PolarHBondContact O-N 2.98Å; I797-F800 PolarHBondContact O-N 2.89Å; F800-S802 VanDerWaalsContact C-N 3.33Å; F800-S802 PolarHBondContact O-N 3.06Å; F800-Q803 PolarHBondContact O-N 3.46Å; F800-L804 HydrophobicContact CE1-CD2 4.23Å; F800-L804 WeakPolarHBondContact O-CB 3.24Å; F800-L804 PolarHBondContact O-N 2.95Å; F800-I885 HydrophobicContact CD2-CG2 3.48Å; F800-I885 VanDerWaalsContact CD2-CG2 3.48Å; F800-I885 HydrophobicContact CE2-CG2 3.67Å
801	L	84.9	Confident	83.9	Confident	85 Å²	85	69.2 Å²	69.2	45%	0.445	35%	0.348	S	S	.	.	H	α-helix	trans	-61.3	-41.2	-179.9	-71.4	171.7	0	0	0	111.7	I797 Q803 L804 V805	I797-L801 HydrophobicContact CG1-CD1 4.22Å; I797-L801 HydrophobicContact CG1-CG 4.47Å; I797-L801 WeakPolarHBondContact O-CB 3.47Å; I797-L801 VanDerWaalsContact O-CG 3.27Å; I797-L801 WeakPolarHBondContact O-CG 3.46Å; I797-L801 PolarHBondContact O-N 3.48Å; L801-Q803 PolarHBondContact O-N 3.49Å; L801-L804 PolarHBondContact O-N 3.24Å; L801-V805 WeakPolarHBondContact O-CG2 3.39Å; L801-V805 PolarHBondContact O-N 3.19Å
802	S	86.5	Confident	84	Confident	63 Å²	63	69 Å²	69	44%	0.441	35%	0.347	S	S	.	.	H	α-helix	trans	-63.1	-41.9	177.7	69.7	0	0	0	0	112.6	Y798 A799 F800 L806	Y798-S802 WeakPolarHBondContact O-CB 3.39Å; Y798-S802 PolarHBondContact O-N 2.82Å; Y798-S802 PolarHBondContact O-OG 3.42Å; A799-S802 PolarHBondContact O-OG 3.38Å; F800-S802 VanDerWaalsContact C-N 3.33Å; F800-S802 PolarHBondContact O-N 3.06Å; S802-L806 WeakPolarHBondContact O-CG 3.32Å; S802-L806 PolarHBondContact O-N 2.94Å; S802-L806 VanDerWaalsContact O-N 3.16Å
803	Q	88.3	Confident	84.2	Confident	25 Å²	25	63.7 Å²	63.7	12%	0.117	33%	0.33	C	S	.	.	H	α-helix	trans	-67.6	-38.5	175.3	-69	179	55.7	0	0	111.8	R792 A799 F800 L801 L806 L807 I885	R792-Q803 VanDerWaalsContact N-OE1 3.08Å; R792-Q803 PolarHBondContact O-NE2 3.15Å; R792-Q803 PolarHBondContact O-OE1 3.5Å; R792-Q803 VanDerWaalsContact O-OE1 3.13Å; A799-Q803 VanDerWaalsContact O-CG 3.31Å; A799-Q803 WeakPolarHBondContact O-CG 2.97Å; A799-Q803 PolarHBondContact O-N 3.46Å; A799-Q803 VanDerWaalsContact O-N 3.09Å; F800-Q803 PolarHBondContact O-N 3.46Å; L801-Q803 PolarHBondContact O-N 3.49Å; Q803-L806 PolarHBondContact O-N 3.44Å; Q803-L807 VanDerWaalsContact O-CB 3.3Å; Q803-L807 WeakPolarHBondContact O-CB 3.39Å; Q803-L807 PolarHBondContact O-N 3.06Å; Q803-I885 HydrophobicContact CB-CD1 3.87Å
804	L	86.4	Confident	84.6	Confident	54 Å²	54	62.4 Å²	62.4	28%	0.283	32%	0.319	S	S	.	.	H	α-helix	trans	-62	-45.4	176.4	-177	65.5	0	0	0	111.5	F800 L801 L806 L807 V808 L882	F800-L804 HydrophobicContact CE1-CD2 4.23Å; F800-L804 WeakPolarHBondContact O-CB 3.24Å; F800-L804 PolarHBondContact O-N 2.95Å; L801-L804 PolarHBondContact O-N 3.24Å; L804-L806 PolarHBondContact O-N 3.38Å; L804-L807 PolarHBondContact O-N 3.17Å; L804-V808 VanDerWaalsContact O-CG2 3.31Å; L804-V808 WeakPolarHBondContact O-CG2 3.41Å; L804-V808 PolarHBondContact O-N 2.96Å; L804-L882 HydrophobicContact CD1-CD1 3.74Å
805	V	88	Confident	85.3	Confident	91 Å²	91	61 Å²	61	55%	0.552	31%	0.308	S	S	*	.	H	α-helix	trans	-60.6	-46.2	177.1	170.6	0	0	0	0	111.2	L801 L807 V808 M809	L801-V805 WeakPolarHBondContact O-CG2 3.39Å; L801-V805 PolarHBondContact O-N 3.19Å; V805-L807 VanDerWaalsContact C-N 3.32Å; V805-L807 PolarHBondContact O-N 2.89Å; V805-V808 PolarHBondContact O-N 3.49Å; V805-M809 VanDerWaalsContact O-CG 3.25Å; V805-M809 WeakPolarHBondContact O-CG 3.42Å; V805-M809 PolarHBondContact O-N 3.2Å
806	L	88.9	Confident	85.9	Confident	90 Å²	90	51.7 Å²	51.7	47%	0.471	27%	0.274	S	S	.	.	H	α-helix	trans	-62.1	-40.4	176.6	-71.9	172.1	0	0	0	112.1	V787 S802 Q803 L804 M809 V810	V787-L806 HydrophobicContact CG1-CB 4.09Å; V787-L806 HydrophobicContact CG2-CB 4.36Å; S802-L806 WeakPolarHBondContact O-CG 3.32Å; S802-L806 PolarHBondContact O-N 2.94Å; S802-L806 VanDerWaalsContact O-N 3.16Å; Q803-L806 PolarHBondContact O-N 3.44Å; L804-L806 PolarHBondContact O-N 3.38Å; L806-M809 PolarHBondContact O-N 3.36Å; L806-V810 PolarHBondContact O-N 2.91Å
807	L	87.2	Confident	86	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.8	-42.7	178.6	-171.8	61.5	0	0	0	111	M791 Q803 L804 V805 M809 V810 H811 W878 A881 L882 I885	M791-L807 HydrophobicContact SD-CD1 4.34Å; Q803-L807 VanDerWaalsContact O-CB 3.3Å; Q803-L807 WeakPolarHBondContact O-CB 3.39Å; Q803-L807 PolarHBondContact O-N 3.06Å; L804-L807 PolarHBondContact O-N 3.17Å; V805-L807 VanDerWaalsContact C-N 3.32Å; V805-L807 PolarHBondContact O-N 2.89Å; L807-M809 VanDerWaalsContact C-N 3.35Å; L807-M809 PolarHBondContact O-N 3.32Å; L807-V810 CarbonylContact O-C 3.56Å; L807-V810 PolarHBondContact O-N 3.38Å; L807-V810 VanDerWaalsContact O-N 3.15Å; L807-H811 PolarHBondContact O-N 3.49Å; L807-W878 HydrophobicContact CD1-CG 4.24Å; L807-W878 HydrophobicContact CD2-CZ2 4.47Å; L807-W878 HydrophobicContact CG-CD2 4.5Å; L807-W878 HydrophobicContact CG-CZ2 4.1Å; L807-W878 PolarHBondContact O-NE1 3.4Å; L807-A881 HydrophobicContact CD1-CB 4.11Å; L807-L882 HydrophobicContact CD2-CB 3.79Å; L807-L882 HydrophobicContact CD2-CD1 3.93Å; L807-L882 HydrophobicContact CD2-CG 4.48Å; L807-I885 HydrophobicContact CD2-CD1 4.22Å
808	V	87.2	Confident	86.3	Confident	68 Å²	68	48 Å²	48	41%	0.412	25%	0.251	S	S	.	.	H	α-helix	trans	-60.7	-42.5	174.9	171.1	0	0	0	0	111.4	L804 V805 V810 H811 I814	L804-V808 VanDerWaalsContact O-CG2 3.31Å; L804-V808 WeakPolarHBondContact O-CG2 3.41Å; L804-V808 PolarHBondContact O-N 2.96Å; V805-V808 PolarHBondContact O-N 3.49Å; V808-V810 PolarHBondContact O-N 3.22Å; V808-H811 VanDerWaalsContact O-CB 3.23Å; V808-H811 WeakPolarHBondContact O-CB 3.38Å; V808-H811 PolarHBondContact O-N 3.07Å; V808-I814 HydrophobicContact CG1-CD1 4.34Å; V808-I814 WeakPolarHBondContact O-CD1 3.33Å
809	M	83.9	Confident	86.5	Confident	111 Å²	111	39.6 Å²	39.6	55%	0.547	22%	0.218	S	C	.	.	H	α-helix	trans	-59	-30.9	176.9	-69.1	-106.8	75	0	0	113.1	V805 L806 L807	V805-M809 VanDerWaalsContact O-CG 3.25Å; V805-M809 WeakPolarHBondContact O-CG 3.42Å; V805-M809 PolarHBondContact O-N 3.2Å; L806-M809 PolarHBondContact O-N 3.36Å; L807-M809 VanDerWaalsContact C-N 3.35Å; L807-M809 PolarHBondContact O-N 3.32Å
810	V	88.4	Confident	86.6	Confident	11 Å²	11	41.1 Å²	41.1	7%	0.067	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	9.7	-178.1	174.2	0	0	0	0	111.6	F784 V787 L806 L807 V808 L815	F784-V810 HydrophobicContact CB-CG1 4.15Å; F784-V810 HydrophobicContact CD1-CG1 4.01Å; F784-V810 HydrophobicContact CD2-CG1 3.2Å; F784-V810 HydrophobicContact CE1-CG1 4.2Å; F784-V810 HydrophobicContact CE2-CG1 3.45Å; F784-V810 VanDerWaalsContact CE2-CG1 3.45Å; F784-V810 WeakPolarHBondContact CE2-O 3.31Å; F784-V810 HydrophobicContact CG-CG1 3.51Å; F784-V810 HydrophobicContact CZ-CG1 3.92Å; F784-V810 WeakPolarHBondContact CZ-O 3.36Å; V787-V810 HydrophobicContact CB-CG2 4.28Å; V787-V810 HydrophobicContact CG2-CB 4.49Å; V787-V810 HydrophobicContact CG2-CG2 3.62Å; L806-V810 PolarHBondContact O-N 2.91Å; L807-V810 CarbonylContact O-C 3.56Å; L807-V810 PolarHBondContact O-N 3.38Å; L807-V810 VanDerWaalsContact O-N 3.15Å; V808-V810 PolarHBondContact O-N 3.22Å; V810-L815 HydrophobicContact CG1-CD1 4.28Å
811	H	89	Confident	86.7	Confident	35 Å²	35	41.6 Å²	41.6	16%	0.162	22%	0.223	C	C	.	.			trans	-56	129.6	175.7	-172.7	-74.1	0	0	0	110.7	L807 V808 L813 I814 L815 L875 W878	L807-H811 PolarHBondContact O-N 3.49Å; V808-H811 VanDerWaalsContact O-CB 3.23Å; V808-H811 WeakPolarHBondContact O-CB 3.38Å; V808-H811 PolarHBondContact O-N 3.07Å; H811-L813 VanDerWaalsContact C-N 3.31Å; H811-L813 PolarHBondContact ND1-N 3.31Å; H811-L813 PolarHBondContact O-N 3.18Å; H811-I814 HydrophobicContact CB-CB 4.15Å; H811-I814 HydrophobicContact CB-CD1 3.88Å; H811-I814 HydrophobicContact CB-CG1 3.93Å; H811-I814 WeakPolarHBondContact O-CA 3.39Å; H811-I814 WeakPolarHBondContact O-CB 3.28Å; H811-I814 PolarHBondContact O-N 2.83Å; H811-L815 PolarHBondContact O-N 3.4Å; H811-L875 VanDerWaalsContact NE2-CD1 3.31Å; H811-L875 WeakPolarHBondContact NE2-CD1 3.38Å; H811-W878 AromaticContact CD2-CD2 3.9Å; H811-W878 AromaticContact CD2-CE2 3.68Å; H811-W878 AromaticContact CD2-CH2 3.96Å; H811-W878 AromaticContact CD2-CZ2 3.74Å
812	P	87.4	Confident	86.7	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-54	-43.3	-172	-27.1	33.2	0	0	0	113.9	F780 F784 I814 L815 V816 T871 C874 L875 W878	F780-P812 HydrophobicContact CE1-CB 4.36Å; F780-P812 HydrophobicContact CZ-CB 4.31Å; F784-P812 HydrophobicContact CE2-CG 4.05Å; F784-P812 HydrophobicContact CZ-CG 3.66Å; P812-I814 VanDerWaalsContact C-N 3.34Å; P812-I814 PolarHBondContact O-N 3.48Å; P812-L815 PolarHBondContact O-N 2.94Å; P812-V816 WeakPolarHBondContact O-CG2 3.47Å; P812-V816 PolarHBondContact O-N 3.5Å; P812-T871 HydrophobicContact CB-CG2 3.84Å; P812-C874 HydrophobicContact CB-CB 4.04Å; P812-C874 HydrophobicContact CG-CB 3.76Å; P812-L875 HydrophobicContact CG-CB 4.31Å; P812-W878 HydrophobicContact CG-CB 4.42Å
813	L	83.5	Confident	86.6	Confident	35 Å²	35	38.2 Å²	38.2	18%	0.183	20%	0.2	C	C	.	.	H	α-helix	trans	-64	-37.2	176.6	-67.4	173.1	0	0	0	113.1	H811 C817 I853 T871	H811-L813 VanDerWaalsContact C-N 3.31Å; H811-L813 PolarHBondContact ND1-N 3.31Å; H811-L813 PolarHBondContact O-N 3.18Å; L813-C817 WeakPolarHBondContact O-CB 3.49Å; L813-C817 PolarHBondContact O-N 3.46Å; L813-C817 PolarHBondContact O-SG 3.02Å; L813-I853 HydrophobicContact CD1-CD1 3.73Å; L813-I853 HydrophobicContact CD1-CG1 4Å; L813-I853 HydrophobicContact CD2-CD1 4.3Å; L813-I853 HydrophobicContact CD2-CG1 3.62Å; L813-I853 HydrophobicContact CG-CG1 4.47Å; L813-T871 HydrophobicContact CD2-CG2 3.67Å; L813-T871 HydrophobicContact CG-CG2 4.12Å
814	I	85.3	Confident	86.4	Confident	25 Å²	25	39.9 Å²	39.9	13%	0.128	21%	0.214	C	C	.	.	H	α-helix	trans	-68.1	-42.2	177.6	-63.3	-176.4	0	0	0	108.9	V808 H811 P812 C817 L818 F841 L845	V808-I814 HydrophobicContact CG1-CD1 4.34Å; V808-I814 WeakPolarHBondContact O-CD1 3.33Å; H811-I814 HydrophobicContact CB-CB 4.15Å; H811-I814 HydrophobicContact CB-CD1 3.88Å; H811-I814 HydrophobicContact CB-CG1 3.93Å; H811-I814 WeakPolarHBondContact O-CA 3.39Å; H811-I814 WeakPolarHBondContact O-CB 3.28Å; H811-I814 PolarHBondContact O-N 2.83Å; P812-I814 VanDerWaalsContact C-N 3.34Å; P812-I814 PolarHBondContact O-N 3.48Å; I814-C817 PolarHBondContact O-N 2.93Å; I814-L818 WeakPolarHBondContact O-CB 3.3Å; I814-L818 PolarHBondContact O-N 2.82Å; I814-F841 HydrophobicContact CG2-CE1 3.96Å; I814-F841 HydrophobicContact CG2-CZ 3.84Å; I814-F841 WeakPolarHBondContact O-CZ 3.48Å; I814-L845 HydrophobicContact CD1-CD2 4.37Å; I814-L845 HydrophobicContact CG1-CD1 4.33Å; I814-L845 HydrophobicContact CG2-CD1 4.4Å
815	L	88.7	Confident	86.1	Confident	8 Å²	8	38.3 Å²	38.3	4%	0.042	21%	0.208	C	C	.	.	H	α-helix	trans	-61.1	-47.3	175.3	-68	179.3	0	0	0	112.2	F780 F784 V810 H811 P812 C817 L818 M819	F780-L815 HydrophobicContact CE1-CD1 4.29Å; F784-L815 HydrophobicContact CD2-CD1 3.71Å; F784-L815 HydrophobicContact CE2-CD1 3.67Å; V810-L815 HydrophobicContact CG1-CD1 4.28Å; H811-L815 PolarHBondContact O-N 3.4Å; P812-L815 PolarHBondContact O-N 2.94Å; L815-C817 VanDerWaalsContact C-N 3.35Å; L815-C817 PolarHBondContact O-N 3.44Å; L815-L818 WeakPolarHBondContact O-CB 3.45Å; L815-L818 PolarHBondContact O-N 2.89Å; L815-M819 WeakPolarHBondContact O-CB 3.43Å; L815-M819 WeakPolarHBondContact O-CG 3.25Å; L815-M819 PolarHBondContact O-N 3.44Å
816	V	87.2	Confident	85.7	Confident	12 Å²	12	34.5 Å²	34.5	7%	0.073	19%	0.185	C	C	.	.	H	α-helix	trans	-61.6	-43.8	178.5	174.7	0	0	0	0	111.2	P812 M819 R820 M856	P812-V816 WeakPolarHBondContact O-CG2 3.47Å; P812-V816 PolarHBondContact O-N 3.5Å; V816-M819 PolarHBondContact O-N 2.98Å; V816-R820 WeakPolarHBondContact O-CG 3.35Å; V816-R820 PolarHBondContact O-N 3.4Å; V816-M856 HydrophobicContact CG1-CE 4.5Å; V816-M856 HydrophobicContact CG1-SD 3.95Å
817	C	85.3	Confident	85.1	Confident	3 Å²	3	32.4 Å²	32.4	2%	0.02	18%	0.178	C	C	.	.	H	α-helix	trans	-66.2	-39.6	176.8	-63.4	0	0	0	0	111.9	L813 I814 L815 R820 N821 F841 C852	L813-C817 WeakPolarHBondContact O-CB 3.49Å; L813-C817 PolarHBondContact O-N 3.46Å; L813-C817 PolarHBondContact O-SG 3.02Å; I814-C817 PolarHBondContact O-N 2.93Å; L815-C817 VanDerWaalsContact C-N 3.35Å; L815-C817 PolarHBondContact O-N 3.44Å; C817-R820 PolarHBondContact O-N 3.32Å; C817-N821 PolarHBondContact O-N 3.37Å; C817-N821 PolarHBondContact O-ND2 3.39Å; C817-N821 VanDerWaalsContact O-ND2 3.12Å; C817-F841 HydrophobicContact CB-CE2 3.47Å; C817-F841 VanDerWaalsContact CB-CE2 3.47Å; C817-F841 HydrophobicContact CB-CZ 3.97Å; C817-C852 VanDerWaalsContact SG-CB 3.51Å
818	L	85.9	Confident	84.4	Confident	48 Å²	48	38.9 Å²	38.9	25%	0.251	21%	0.211	S	C	.	.	H	α-helix	trans	-61.3	-45	175	179.6	65.5	0	0	0	110.7	I814 L815 R820 N821 V822 L838 F841	I814-L818 WeakPolarHBondContact O-CB 3.3Å; I814-L818 PolarHBondContact O-N 2.82Å; L815-L818 WeakPolarHBondContact O-CB 3.45Å; L815-L818 PolarHBondContact O-N 2.89Å; L818-R820 PolarHBondContact O-N 3.09Å; L818-N821 PolarHBondContact O-N 3.31Å; L818-V822 HydrophobicContact CD1-CG2 4.08Å; L818-V822 HydrophobicContact CG-CG2 4.28Å; L818-V822 WeakPolarHBondContact O-CB 3.3Å; L818-V822 VanDerWaalsContact O-CG2 3.24Å; L818-V822 WeakPolarHBondContact O-CG2 3.44Å; L818-V822 PolarHBondContact O-N 3.48Å; L818-L838 HydrophobicContact CD1-CD2 3.61Å; L818-F841 HydrophobicContact CB-CE1 4.08Å; L818-F841 HydrophobicContact CB-CZ 4.13Å; L818-F841 HydrophobicContact CD1-CD1 4Å; L818-F841 HydrophobicContact CD1-CE1 4.12Å
819	M	87.7	Confident	83.2	Confident	9 Å²	9	37.7 Å²	37.7	4%	0.044	21%	0.206	C	C	.	.	H	α-helix	trans	-59.9	-44.5	177.1	-68.9	161.6	69.2	0	0	111.7	L570 A573 V574 L776 V779 L815 V816 V822 Q823	L570-M819 HydrophobicContact CD2-CB 4.04Å; L570-M819 HydrophobicContact CD2-CE 4.43Å; L570-M819 HydrophobicContact CD2-CG 4Å; A573-M819 HydrophobicContact CB-CE 3.18Å; V574-M819 HydrophobicContact CG2-CB 3.72Å; V574-M819 HydrophobicContact CG2-CE 4.31Å; L776-M819 HydrophobicContact CD1-CE 3.96Å; V779-M819 HydrophobicContact CB-CE 4.13Å; V779-M819 HydrophobicContact CB-SD 4.14Å; V779-M819 HydrophobicContact CG1-CE 4.26Å; V779-M819 HydrophobicContact CG1-CG 4.11Å; V779-M819 HydrophobicContact CG1-SD 3.63Å; V779-M819 HydrophobicContact CG2-CE 3.9Å; V779-M819 HydrophobicContact CG2-SD 4.32Å; L815-M819 WeakPolarHBondContact O-CB 3.43Å; L815-M819 WeakPolarHBondContact O-CG 3.25Å; L815-M819 PolarHBondContact O-N 3.44Å; V816-M819 PolarHBondContact O-N 2.98Å; M819-V822 PolarHBondContact O-N 3.07Å; M819-Q823 VanDerWaalsContact O-CB 3.26Å; M819-Q823 WeakPolarHBondContact O-CB 3.48Å; M819-Q823 PolarHBondContact O-N 3.47Å
820	R	86	Confident	82	Confident	57 Å²	57	36.5 Å²	36.5	22%	0.215	21%	0.208	C	C	.	.	H	α-helix	trans	-59	-46.1	174.7	-77	179.6	177.1	-161.2	0.3	112	V574 V816 C817 L818 Q823 S824 C852	V574-R820 HydrophobicContact CB-CG 4.48Å; V574-R820 HydrophobicContact CG1-CG 3.43Å; V574-R820 VanDerWaalsContact CG1-CG 3.43Å; V574-R820 HydrophobicContact CG2-CG 4.15Å; V816-R820 WeakPolarHBondContact O-CG 3.35Å; V816-R820 PolarHBondContact O-N 3.4Å; C817-R820 PolarHBondContact O-N 3.32Å; L818-R820 PolarHBondContact O-N 3.09Å; R820-Q823 PolarHBondContact O-N 3.4Å; R820-S824 WeakPolarHBondContact O-CB 3.48Å; R820-S824 PolarHBondContact O-N 2.57Å; R820-C852 VanDerWaalsContact CZ-SG 3.56Å; R820-C852 PolarHBondContact NH1-SG 3.18Å
821	N	84.1	Confident	80.5	Confident	43 Å²	43	42.3 Å²	42.3	23%	0.23	24%	0.239	C	C	.	.	H	α-helix	trans	-68.7	-41.7	-179.8	-73.4	-36.8	0	0	0	112.7	C817 L818 S824 S825 F841	C817-N821 PolarHBondContact O-N 3.37Å; C817-N821 PolarHBondContact O-ND2 3.39Å; C817-N821 VanDerWaalsContact O-ND2 3.12Å; L818-N821 PolarHBondContact O-N 3.31Å; N821-S824 PolarHBondContact O-N 2.64Å; N821-S825 WeakPolarHBondContact O-CB 3.29Å; N821-S825 PolarHBondContact O-N 3.1Å; N821-F841 WeakPolarHBondContact ND2-CD2 3.49Å
822	V	84.9	Confident	79	Confident	33 Å²	33	44 Å²	44	20%	0.2	25%	0.246	C	C	.	.	H	α-helix	trans	-63.8	-44.7	175.5	173.4	0	0	0	0	110.3	L570 L818 M819 S824 S825 L826 F832	L570-V822 HydrophobicContact CD1-CB 4.26Å; L570-V822 HydrophobicContact CD1-CG1 3.65Å; L818-V822 HydrophobicContact CD1-CG2 4.08Å; L818-V822 HydrophobicContact CG-CG2 4.28Å; L818-V822 WeakPolarHBondContact O-CB 3.3Å; L818-V822 VanDerWaalsContact O-CG2 3.24Å; L818-V822 WeakPolarHBondContact O-CG2 3.44Å; L818-V822 PolarHBondContact O-N 3.48Å; M819-V822 PolarHBondContact O-N 3.07Å; V822-S824 PolarHBondContact O-N 3.34Å; V822-S825 PolarHBondContact O-N 3.22Å; V822-L826 WeakPolarHBondContact O-CB 3.49Å; V822-L826 PolarHBondContact O-N 3.49Å; V822-F832 HydrophobicContact CG1-CZ 4.06Å
823	Q	85.7	Confident	77.9	Confident	45 Å²	45	48.3 Å²	48.3	21%	0.21	27%	0.269	C	S	.	.	H	α-helix	trans	-59.5	-48.1	176.2	-176.5	-173.6	-1.4	0	0	111.4	L570 M819 R820 L826 S827	L570-Q823 HydrophobicContact CB-CB 4.2Å; L570-Q823 HydrophobicContact CB-CG 4.41Å; L570-Q823 HydrophobicContact CD1-CB 4.4Å; M819-Q823 VanDerWaalsContact O-CB 3.26Å; M819-Q823 WeakPolarHBondContact O-CB 3.48Å; M819-Q823 PolarHBondContact O-N 3.47Å; R820-Q823 PolarHBondContact O-N 3.4Å; Q823-L826 PolarHBondContact O-N 2.63Å; Q823-S827 WeakPolarHBondContact O-CB 3.47Å; Q823-S827 PolarHBondContact O-N 3.45Å; Q823-S827 PolarHBondContact O-OG 3.43Å
824	S	82.7	Confident	77	Confident	59 Å²	59	51.1 Å²	51.1	41%	0.413	28%	0.283	S	S	.	.	H	α-helix	trans	-58.5	-53	177.7	-179.4	0	0	0	0	111.5	R820 N821 V822 L826 S827 I828	R820-S824 WeakPolarHBondContact O-CB 3.48Å; R820-S824 PolarHBondContact O-N 2.57Å; N821-S824 PolarHBondContact O-N 2.64Å; V822-S824 PolarHBondContact O-N 3.34Å; S824-L826 VanDerWaalsContact C-N 3.34Å; S824-L826 PolarHBondContact O-N 2.95Å; S824-S827 PolarHBondContact O-N 2.95Å; S824-S827 VanDerWaalsContact O-N 3.14Å; S824-S827 PolarHBondContact O-OG 3.43Å; S824-I828 WeakPolarHBondContact O-CG1 3.3Å; S824-I828 PolarHBondContact O-N 3.47Å; S824-I828 VanDerWaalsContact O-N 3.1Å
825	S	80.5	Confident	76.4	Confident	22 Å²	22	54 Å²	54	15%	0.154	30%	0.302	C	S	.	.	H	α-helix	trans	-60	-42.7	178.5	-180	0	0	0	0	112.6	N821 V822 S827 I828 S829 F832	N821-S825 WeakPolarHBondContact O-CB 3.29Å; N821-S825 PolarHBondContact O-N 3.1Å; V822-S825 PolarHBondContact O-N 3.22Å; S825-S827 VanDerWaalsContact C-N 3.28Å; S825-S827 PolarHBondContact O-N 2.77Å; S825-I828 PolarHBondContact O-N 2.84Å; S825-S829 PolarHBondContact O-N 2.79Å; S825-F832 WeakPolarHBondContact OG-CD2 3.26Å; S825-F832 WeakPolarHBondContact OG-CE2 3.29Å
826	L	80.3	Confident	75.6	Confident	11 Å²	11	56.6 Å²	56.6	6%	0.058	32%	0.321	C	S	.	.	H	α-helix	trans	-72.6	-20.5	180	-164.1	65.1	0	0	0	112.6	R563 V566 L567 V822 Q823 S824 F832	R563-L826 HydrophobicContact CG-CD1 3.95Å; R563-L826 HydrophobicContact CG-CD2 4.25Å; R563-L826 HydrophobicContact CG-CG 4.05Å; R563-L826 PolarHBondContact NE-O 3.33Å; R563-L826 PolarHBondContact NH2-O 3.19Å; V566-L826 HydrophobicContact CB-CD2 4.37Å; V566-L826 HydrophobicContact CG1-CD2 3.91Å; L567-L826 HydrophobicContact CD1-CD2 4.49Å; L567-L826 HydrophobicContact CD1-CG 4.26Å; L567-L826 HydrophobicContact CD2-CB 3.72Å; L567-L826 HydrophobicContact CD2-CD2 3.7Å; L567-L826 HydrophobicContact CD2-CG 3.69Å; L567-L826 HydrophobicContact CG-CB 4.42Å; L567-L826 HydrophobicContact CG-CD2 3.61Å; L567-L826 HydrophobicContact CG-CG 3.82Å; V822-L826 WeakPolarHBondContact O-CB 3.49Å; V822-L826 PolarHBondContact O-N 3.49Å; Q823-L826 PolarHBondContact O-N 2.63Å; S824-L826 VanDerWaalsContact C-N 3.34Å; S824-L826 PolarHBondContact O-N 2.95Å; L826-F832 HydrophobicContact CB-CD2 4.41Å; L826-F832 HydrophobicContact CD1-CB 3.84Å; L826-F832 HydrophobicContact CD1-CD1 4.15Å; L826-F832 HydrophobicContact CD1-CD2 3.97Å; L826-F832 HydrophobicContact CD1-CG 3.75Å
827	S	75.9	Confident	74.6	Confident	46 Å²	46	56.4 Å²	56.4	32%	0.322	32%	0.32	S	S	.	.	H	α-helix	trans	-79.6	-38.6	171.5	73.5	0	0	0	0	112.6	Q546 Q823 S824 S825	Q546-S827 PolarHBondContact NE2-O 2.79Å; Q823-S827 WeakPolarHBondContact O-CB 3.47Å; Q823-S827 PolarHBondContact O-N 3.45Å; Q823-S827 PolarHBondContact O-OG 3.43Å; S824-S827 PolarHBondContact O-N 2.95Å; S824-S827 VanDerWaalsContact O-N 3.14Å; S824-S827 PolarHBondContact O-OG 3.43Å; S825-S827 VanDerWaalsContact C-N 3.28Å; S825-S827 PolarHBondContact O-N 2.77Å
828	I	72.1	Confident	74	Confident	135 Å²	135	59.5 Å²	59.5	69%	0.692	34%	0.336	S	S	*	.	H	α-helix	trans	-79.3	-51.4	-173.2	-66.5	165.2	0	0	0	111.8	S824 S825	S824-I828 WeakPolarHBondContact O-CG1 3.3Å; S824-I828 PolarHBondContact O-N 3.47Å; S824-I828 VanDerWaalsContact O-N 3.1Å; S825-I828 PolarHBondContact O-N 2.84Å
829	S	61.9	Low	73.4	Confident	44 Å²	44	60.9 Å²	60.9	31%	0.308	34%	0.344	S	S	.	.			trans	-99.5	131.2	-169.5	-175.1	0	0	0	0	112.6	R563 S825 N831	R563-S829 VanDerWaalsContact CZ-O 3.31Å; R563-S829 PolarHBondContact NH1-O 3.49Å; R563-S829 VanDerWaalsContact NH1-O 3.15Å; R563-S829 PolarHBondContact NH2-O 2.87Å; S825-S829 PolarHBondContact O-N 2.79Å; S829-N831 VanDerWaalsContact C-N 3.27Å; S829-N831 WeakPolarHBondContact CB-O 3.39Å; S829-N831 VanDerWaalsContact OG-C 3.27Å; S829-N831 PolarHBondContact OG-N 2.86Å; S829-N831 VanDerWaalsContact OG-N 3.13Å; S829-N831 PolarHBondContact OG-O 2.84Å
830	S	58.3	Low	72.7	Confident	86 Å²	86	63.3 Å²	63.3	60%	0.601	36%	0.362	S	S	*	.	S	Bend	trans	-65.4	-34.4	167.8	63.5	0	0	0	0	111.8	R563	R563-S830 VanDerWaalsContact NH1-CA 3.34Å; R563-S830 PolarHBondContact NH1-O 3.29Å
831	N	57.9	Low	72	Confident	133 Å²	133	61 Å²	61	71%	0.711	35%	0.353	S	S	*	.	S	Bend	trans	-99.6	92.5	176.7	-67.2	-1.4	0	0	0	107.7	S829 D833	S829-N831 VanDerWaalsContact C-N 3.27Å; S829-N831 WeakPolarHBondContact CB-O 3.39Å; S829-N831 VanDerWaalsContact OG-C 3.27Å; S829-N831 PolarHBondContact OG-N 2.86Å; S829-N831 VanDerWaalsContact OG-N 3.13Å; S829-N831 PolarHBondContact OG-O 2.84Å; N831-D833 PolarHBondContact O-N 3.48Å; N831-D833 VanDerWaalsContact O-N 3.16Å
832	F	57.4	Low	71.5	Confident	70 Å²	70	63.8 Å²	63.8	31%	0.307	37%	0.368	S	S	.	.			trans	-71.4	109.3	177.5	179.3	-120.8	0	0	0	109.1	V822 S825 L826 I834 A837	V822-F832 HydrophobicContact CG1-CZ 4.06Å; S825-F832 WeakPolarHBondContact OG-CD2 3.26Å; S825-F832 WeakPolarHBondContact OG-CE2 3.29Å; L826-F832 HydrophobicContact CB-CD2 4.41Å; L826-F832 HydrophobicContact CD1-CB 3.84Å; L826-F832 HydrophobicContact CD1-CD1 4.15Å; L826-F832 HydrophobicContact CD1-CD2 3.97Å; L826-F832 HydrophobicContact CD1-CG 3.75Å; F832-I834 HydrophobicContact CD1-CD1 4.33Å; F832-I834 HydrophobicContact CD1-CG1 3.6Å; F832-I834 HydrophobicContact CE1-CB 4.25Å; F832-I834 HydrophobicContact CE1-CD1 3.9Å; F832-I834 HydrophobicContact CE1-CG1 3.07Å; F832-I834 HydrophobicContact CZ-CB 4.5Å; F832-I834 HydrophobicContact CZ-CG1 3.69Å; F832-A837 HydrophobicContact CE2-CB 4.25Å
833	D	63.9	Low	71	Confident	90 Å²	90	70.6 Å²	70.6	48%	0.481	40%	0.395	S	S	.	.			trans	-98.9	101.3	168.9	-170.9	-5.6	0	0	0	108.5	N831 V835 S836 A837	N831-D833 PolarHBondContact O-N 3.48Å; N831-D833 VanDerWaalsContact O-N 3.16Å; D833-V835 PolarHBondContact O-N 2.92Å; D833-V835 WeakPolarHBondContact OD1-CB 3.34Å; D833-V835 PolarHBondContact OD1-N 2.8Å; D833-V835 VanDerWaalsContact OD1-N 3.13Å; D833-S836 PolarHBondContact O-N 3.46Å; D833-S836 PolarHBondContact O-OG 3.04Å; D833-A837 PolarHBondContact O-N 3.14Å
834	I	65.9	Low	70.6	Confident	95 Å²	95	72.8 Å²	72.8	49%	0.487	41%	0.408	S	S	.	.	H	α-helix	trans	-52.9	-37.4	179.4	-70.3	164.5	0	0	0	110.5	F832 A837 L838	F832-I834 HydrophobicContact CD1-CD1 4.33Å; F832-I834 HydrophobicContact CD1-CG1 3.6Å; F832-I834 HydrophobicContact CE1-CB 4.25Å; F832-I834 HydrophobicContact CE1-CD1 3.9Å; F832-I834 HydrophobicContact CE1-CG1 3.07Å; F832-I834 HydrophobicContact CZ-CB 4.5Å; F832-I834 HydrophobicContact CZ-CG1 3.69Å; I834-A837 PolarHBondContact O-N 3.19Å; I834-L838 HydrophobicContact CG2-CD1 3.59Å; I834-L838 HydrophobicContact CG2-CG 4.09Å; I834-L838 WeakPolarHBondContact O-CB 3.36Å; I834-L838 VanDerWaalsContact O-CG 3.3Å; I834-L838 WeakPolarHBondContact O-CG 3.33Å; I834-L838 PolarHBondContact O-N 3.1Å
835	V	72.6	Confident	70.2	Confident	86 Å²	86	72 Å²	72	52%	0.521	40%	0.399	S	S	.	.	H	α-helix	trans	-64.6	-48.6	-175	-176.4	0	0	0	0	110	D833 A837 L838 D839	D833-V835 PolarHBondContact O-N 2.92Å; D833-V835 WeakPolarHBondContact OD1-CB 3.34Å; D833-V835 PolarHBondContact OD1-N 2.8Å; D833-V835 VanDerWaalsContact OD1-N 3.13Å; V835-A837 VanDerWaalsContact C-N 3.3Å; V835-A837 PolarHBondContact O-N 3.05Å; V835-L838 PolarHBondContact O-N 3.34Å; V835-L838 VanDerWaalsContact O-N 3.15Å; V835-D839 WeakPolarHBondContact O-CB 3.38Å; V835-D839 PolarHBondContact O-N 3.16Å
836	S	70.9	Confident	69.8	Low	62 Å²	62	78 Å²	78	43%	0.434	43%	0.427	S	S	.	.	H	α-helix	trans	-60.8	-36.9	178	71.6	0	0	0	0	113.6	D833 S840	D833-S836 PolarHBondContact O-N 3.46Å; D833-S836 PolarHBondContact O-OG 3.04Å; S836-S840 WeakPolarHBondContact O-CB 3.45Å; S836-S840 PolarHBondContact O-N 3.33Å; S836-S840 VanDerWaalsContact O-N 3.11Å; S836-S840 PolarHBondContact O-OG 2.79Å
837	A	67.4	Low	69.4	Low	7 Å²	7	80.2 Å²	80.2	6%	0.058	45%	0.448	C	S	.	.	H	α-helix	trans	-70.4	-37.1	178	0	0	0	0	0	111.6	F832 D833 I834 V835 S840 F841	F832-A837 HydrophobicContact CE2-CB 4.25Å; D833-A837 PolarHBondContact O-N 3.14Å; I834-A837 PolarHBondContact O-N 3.19Å; V835-A837 VanDerWaalsContact C-N 3.3Å; V835-A837 PolarHBondContact O-N 3.05Å; A837-S840 PolarHBondContact O-OG 3.24Å; A837-S840 VanDerWaalsContact O-OG 3.05Å; A837-F841 WeakPolarHBondContact O-CB 3.47Å; A837-F841 PolarHBondContact O-N 2.97Å
838	L	71.2	Confident	69.5	Low	69 Å²	69	79.9 Å²	79.9	36%	0.361	44%	0.442	S	S	.	.	H	α-helix	trans	-73.4	-40.6	176.2	-70.7	176.5	0	0	0	112.1	L818 I834 V835 F841 L842	L818-L838 HydrophobicContact CD1-CD2 3.61Å; I834-L838 HydrophobicContact CG2-CD1 3.59Å; I834-L838 HydrophobicContact CG2-CG 4.09Å; I834-L838 WeakPolarHBondContact O-CB 3.36Å; I834-L838 VanDerWaalsContact O-CG 3.3Å; I834-L838 WeakPolarHBondContact O-CG 3.33Å; I834-L838 PolarHBondContact O-N 3.1Å; V835-L838 PolarHBondContact O-N 3.34Å; V835-L838 VanDerWaalsContact O-N 3.15Å; L838-F841 WeakPolarHBondContact O-CB 3.35Å; L838-F841 PolarHBondContact O-N 3.39Å; L838-L842 WeakPolarHBondContact O-CB 3.26Å; L838-L842 WeakPolarHBondContact O-CG 3.42Å; L838-L842 PolarHBondContact O-N 3.47Å
839	D	74.6	Confident	69.7	Low	76 Å²	76	74.7 Å²	74.7	41%	0.406	42%	0.417	S	S	.	.	H	α-helix	trans	-62	-52	178.2	-73.3	-17	0	0	0	110.3	V835 F841 L842 F843	V835-D839 WeakPolarHBondContact O-CB 3.38Å; V835-D839 PolarHBondContact O-N 3.16Å; D839-F841 PolarHBondContact O-N 3.46Å; D839-L842 PolarHBondContact O-N 3.43Å; D839-L842 VanDerWaalsContact O-N 3.17Å; D839-F843 HydrophobicContact CB-CE2 4.44Å; D839-F843 WeakPolarHBondContact O-CD2 2.97Å; D839-F843 PolarHBondContact O-N 3.04Å
840	S	72.6	Confident	70.3	Confident	61 Å²	61	80.6 Å²	80.6	43%	0.427	44%	0.437	S	S	.	.	H	α-helix	trans	-58.3	-34.5	176.7	56.6	0	0	0	0	113.1	S836 A837	S836-S840 WeakPolarHBondContact O-CB 3.45Å; S836-S840 PolarHBondContact O-N 3.33Å; S836-S840 VanDerWaalsContact O-N 3.11Å; S836-S840 PolarHBondContact O-OG 2.79Å; A837-S840 PolarHBondContact O-OG 3.24Å; A837-S840 VanDerWaalsContact O-OG 3.05Å
841	F	71.6	Confident	71.2	Confident	7 Å²	7	82.1 Å²	82.1	3%	0.031	44%	0.435	C	S	.	.	H	α-helix	trans	-68.6	-48.7	174.6	173.8	-125.5	0	0	0	112.7	I814 C817 L818 N821 A837 L838 D839 F843 N844 L845	I814-F841 HydrophobicContact CG2-CE1 3.96Å; I814-F841 HydrophobicContact CG2-CZ 3.84Å; I814-F841 WeakPolarHBondContact O-CZ 3.48Å; C817-F841 HydrophobicContact CB-CE2 3.47Å; C817-F841 VanDerWaalsContact CB-CE2 3.47Å; C817-F841 HydrophobicContact CB-CZ 3.97Å; L818-F841 HydrophobicContact CB-CE1 4.08Å; L818-F841 HydrophobicContact CB-CZ 4.13Å; L818-F841 HydrophobicContact CD1-CD1 4Å; L818-F841 HydrophobicContact CD1-CE1 4.12Å; N821-F841 WeakPolarHBondContact ND2-CD2 3.49Å; A837-F841 WeakPolarHBondContact O-CB 3.47Å; A837-F841 PolarHBondContact O-N 2.97Å; L838-F841 WeakPolarHBondContact O-CB 3.35Å; L838-F841 PolarHBondContact O-N 3.39Å; D839-F841 PolarHBondContact O-N 3.46Å; F841-F843 VanDerWaalsContact C-N 3.34Å; F841-F843 PolarHBondContact O-N 3.48Å; F841-N844 CarbonylContact O-C 3.49Å; F841-N844 PolarHBondContact O-N 2.99Å; F841-L845 HydrophobicContact CD1-CD1 4.49Å; F841-L845 HydrophobicContact CD2-CD1 4.09Å; F841-L845 HydrophobicContact CE1-CD1 3.76Å; F841-L845 HydrophobicContact CE2-CD1 3.3Å; F841-L845 HydrophobicContact CZ-CD1 3.14Å; F841-L845 WeakPolarHBondContact O-CA 3.38Å; F841-L845 PolarHBondContact O-N 3.42Å
842	L	73.9	Confident	72.2	Confident	103 Å²	103	76 Å²	76	54%	0.539	40%	0.402	S	S	.	.	H	α-helix	trans	-63.5	-39.7	-177.6	-74	171.4	0	0	0	111.6	L838 D839 N844	L838-L842 WeakPolarHBondContact O-CB 3.26Å; L838-L842 WeakPolarHBondContact O-CG 3.42Å; L838-L842 PolarHBondContact O-N 3.47Å; D839-L842 PolarHBondContact O-N 3.43Å; D839-L842 VanDerWaalsContact O-N 3.17Å; L842-N844 VanDerWaalsContact C-N 3.3Å; L842-N844 PolarHBondContact O-N 3.3Å
843	F	74.2	Confident	73.1	Confident	176 Å²	176	75.3 Å²	75.3	77%	0.772	40%	0.401	S	S	*	.	H	α-helix	trans	-62.2	-34.5	177.2	-81.2	-67.5	0	0	0	113.2	D839 F841	D839-F843 HydrophobicContact CB-CE2 4.44Å; D839-F843 WeakPolarHBondContact O-CD2 2.97Å; D839-F843 PolarHBondContact O-N 3.04Å; F841-F843 VanDerWaalsContact C-N 3.34Å; F841-F843 PolarHBondContact O-N 3.48Å
844	N	76.1	Confident	73.6	Confident	90 Å²	90	74 Å²	74	48%	0.481	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	15.8	-174.2	-70.5	-35.7	0	0	0	113.8	F841 L842 I846 A847 N848	F841-N844 CarbonylContact O-C 3.49Å; F841-N844 PolarHBondContact O-N 2.99Å; L842-N844 VanDerWaalsContact C-N 3.3Å; L842-N844 PolarHBondContact O-N 3.3Å; N844-I846 VanDerWaalsContact C-N 3.34Å; N844-I846 PolarHBondContact O-N 3.2Å; N844-A847 PolarHBondContact O-N 2.67Å; N844-A847 VanDerWaalsContact O-N 3.14Å; N844-N848 WeakPolarHBondContact CB-ND2 2.87Å; N844-N848 VanDerWaalsContact O-CB 3.32Å; N844-N848 WeakPolarHBondContact O-CB 3.45Å; N844-N848 PolarHBondContact O-N 3.33Å; N844-N848 PolarHBondContact O-ND2 3.34Å
845	L	74.1	Confident	74.3	Confident	44 Å²	44	73.7 Å²	73.7	23%	0.23	40%	0.396	C	S	.	.	H	α-helix	trans	-53.4	-45.9	-169.9	-177.5	63.6	0	0	0	113.6	I814 F841 T849	I814-L845 HydrophobicContact CD1-CD2 4.37Å; I814-L845 HydrophobicContact CG1-CD1 4.33Å; I814-L845 HydrophobicContact CG2-CD1 4.4Å; F841-L845 HydrophobicContact CD1-CD1 4.49Å; F841-L845 HydrophobicContact CD2-CD1 4.09Å; F841-L845 HydrophobicContact CE1-CD1 3.76Å; F841-L845 HydrophobicContact CE2-CD1 3.3Å; F841-L845 HydrophobicContact CZ-CD1 3.14Å; F841-L845 WeakPolarHBondContact O-CA 3.38Å; F841-L845 PolarHBondContact O-N 3.42Å; L845-T849 HydrophobicContact CD1-CG2 4.21Å; L845-T849 WeakPolarHBondContact O-CB 3.29Å; L845-T849 VanDerWaalsContact O-CG2 3.22Å; L845-T849 WeakPolarHBondContact O-CG2 3.47Å; L845-T849 PolarHBondContact O-N 2.66Å; L845-T849 PolarHBondContact O-OG1 2.82Å
846	I	72	Confident	74.6	Confident	146 Å²	146	69.6 Å²	69.6	75%	0.749	37%	0.371	S	S	*	.	H	α-helix	trans	-68.7	-41.8	-177.9	-62.9	170.6	0	0	0	111.1	N844 T849 K850	N844-I846 VanDerWaalsContact C-N 3.34Å; N844-I846 PolarHBondContact O-N 3.2Å; I846-T849 WeakPolarHBondContact CA-OG1 3.42Å; I846-T849 PolarHBondContact O-OG1 3.13Å; I846-K850 PolarHBondContact O-N 3.43Å
847	A	73.9	Confident	74.8	Confident	59 Å²	59	68.1 Å²	68.1	49%	0.488	36%	0.358	S	S	.	.	H	α-helix	trans	-67.2	-48.2	178.8	0	0	0	0	0	110.7	N844 T849 K850 E851	N844-A847 PolarHBondContact O-N 2.67Å; N844-A847 VanDerWaalsContact O-N 3.14Å; A847-T849 VanDerWaalsContact C-N 3.32Å; A847-T849 PolarHBondContact O-N 3.34Å; A847-K850 PolarHBondContact O-N 3.14Å; A847-E851 PolarHBondContact O-N 3.34Å
848	N	77.1	Confident	75.3	Confident	38 Å²	38	69.9 Å²	69.9	20%	0.203	36%	0.363	C	S	.	.	H	α-helix	trans	-60.5	-39.6	179.1	-69.8	-17.9	0	0	0	112.1	N844 C852	N844-N848 WeakPolarHBondContact CB-ND2 2.87Å; N844-N848 VanDerWaalsContact O-CB 3.32Å; N844-N848 WeakPolarHBondContact O-CB 3.45Å; N844-N848 PolarHBondContact O-N 3.33Å; N844-N848 PolarHBondContact O-ND2 3.34Å; N848-C852 WeakPolarHBondContact O-CB 3.3Å; N848-C852 PolarHBondContact O-N 3.43Å
849	T	75.6	Confident	75.9	Confident	27 Å²	27	66.9 Å²	66.9	17%	0.166	35%	0.348	C	S	.	.	H	α-helix	trans	-69.1	-43	178.6	47.7	0	0	0	0	111.9	L845 I846 A847 E851 C852 I853	L845-T849 HydrophobicContact CD1-CG2 4.21Å; L845-T849 WeakPolarHBondContact O-CB 3.29Å; L845-T849 VanDerWaalsContact O-CG2 3.22Å; L845-T849 WeakPolarHBondContact O-CG2 3.47Å; L845-T849 PolarHBondContact O-N 2.66Å; L845-T849 PolarHBondContact O-OG1 2.82Å; I846-T849 WeakPolarHBondContact CA-OG1 3.42Å; I846-T849 PolarHBondContact O-OG1 3.13Å; A847-T849 VanDerWaalsContact C-N 3.32Å; A847-T849 PolarHBondContact O-N 3.34Å; T849-E851 PolarHBondContact O-N 2.88Å; T849-C852 PolarHBondContact O-N 3.36Å; T849-I853 WeakPolarHBondContact O-CD1 3.49Å; T849-I853 WeakPolarHBondContact O-CG1 3.34Å; T849-I853 PolarHBondContact O-N 3.15Å
850	K	74.7	Confident	76.1	Confident	167 Å²	167	64.9 Å²	64.9	73%	0.726	34%	0.337	S	S	*	.	H	α-helix	trans	-59.7	-46.7	175.6	-177.8	-176.9	175.7	-176.2	0	111.7	I846 A847 I853 S854	I846-K850 PolarHBondContact O-N 3.43Å; A847-K850 PolarHBondContact O-N 3.14Å; K850-I853 PolarHBondContact O-N 2.74Å; K850-S854 PolarHBondContact O-N 3.34Å; K850-S854 VanDerWaalsContact O-N 3.13Å
851	E	77.5	Confident	76.4	Confident	119 Å²	119	63.6 Å²	63.6	56%	0.556	33%	0.325	S	S	*	.	H	α-helix	trans	-64	-46	177.4	-172	173.9	-174.3	0	0	111	A847 T849 I853 S854 E855	A847-E851 PolarHBondContact O-N 3.34Å; T849-E851 PolarHBondContact O-N 2.88Å; E851-I853 VanDerWaalsContact C-N 3.34Å; E851-I853 PolarHBondContact O-N 3.46Å; E851-S854 WeakPolarHBondContact O-CB 3.18Å; E851-S854 PolarHBondContact O-N 3.08Å; E851-S854 VanDerWaalsContact O-N 3.17Å; E851-E855 HydrophobicContact CG-CG 4.46Å; E851-E855 WeakPolarHBondContact O-CG 3.23Å; E851-E855 PolarHBondContact O-N 2.73Å
852	C	80.2	Confident	77	Confident	3 Å²	3	63.5 Å²	63.5	2%	0.02	32%	0.324	C	S	.	.	H	α-helix	trans	-58.9	-42.6	178	-170.9	0	0	0	0	112.6	C817 R820 N848 T849 E855 M856	C817-C852 VanDerWaalsContact SG-CB 3.51Å; R820-C852 VanDerWaalsContact CZ-SG 3.56Å; R820-C852 PolarHBondContact NH1-SG 3.18Å; N848-C852 WeakPolarHBondContact O-CB 3.3Å; N848-C852 PolarHBondContact O-N 3.43Å; T849-C852 PolarHBondContact O-N 3.36Å; C852-E855 PolarHBondContact O-N 2.79Å; C852-M856 WeakPolarHBondContact O-CB 3.13Å; C852-M856 WeakPolarHBondContact O-CG 3.49Å; C852-M856 PolarHBondContact O-N 2.8Å; C852-M856 VanDerWaalsContact SG-SD 3.62Å
853	I	75.9	Confident	77.5	Confident	57 Å²	57	58.8 Å²	58.8	29%	0.292	30%	0.3	S	S	.	.	H	α-helix	trans	-62.4	-47.7	176.4	-65.4	161	0	0	0	110.3	L813 T849 K850 E851 E855 M856 M857	L813-I853 HydrophobicContact CD1-CD1 3.73Å; L813-I853 HydrophobicContact CD1-CG1 4Å; L813-I853 HydrophobicContact CD2-CD1 4.3Å; L813-I853 HydrophobicContact CD2-CG1 3.62Å; L813-I853 HydrophobicContact CG-CG1 4.47Å; T849-I853 WeakPolarHBondContact O-CD1 3.49Å; T849-I853 WeakPolarHBondContact O-CG1 3.34Å; T849-I853 PolarHBondContact O-N 3.15Å; K850-I853 PolarHBondContact O-N 2.74Å; E851-I853 VanDerWaalsContact C-N 3.34Å; E851-I853 PolarHBondContact O-N 3.46Å; I853-E855 VanDerWaalsContact C-N 3.33Å; I853-E855 PolarHBondContact O-N 3.18Å; I853-M856 PolarHBondContact O-N 3.43Å; I853-M857 HydrophobicContact CG2-CG 4.34Å; I853-M857 HydrophobicContact CG2-SD 3.88Å; I853-M857 WeakPolarHBondContact O-CB 3.25Å; I853-M857 WeakPolarHBondContact O-CG 3.42Å; I853-M857 PolarHBondContact O-N 3.36Å
854	S	73.8	Confident	78	Confident	63 Å²	63	54.8 Å²	54.8	44%	0.441	28%	0.282	S	S	.	.	H	α-helix	trans	-58.2	-46.8	179.4	-173.4	0	0	0	0	111.2	K850 E851 M857 Y858	K850-S854 PolarHBondContact O-N 3.34Å; K850-S854 VanDerWaalsContact O-N 3.13Å; E851-S854 WeakPolarHBondContact O-CB 3.18Å; E851-S854 PolarHBondContact O-N 3.08Å; E851-S854 VanDerWaalsContact O-N 3.17Å; S854-M857 PolarHBondContact O-N 2.92Å; S854-Y858 VanDerWaalsContact O-CB 3.31Å; S854-Y858 WeakPolarHBondContact O-CB 3.27Å; S854-Y858 PolarHBondContact O-N 2.96Å
855	E	79.6	Confident	78.4	Confident	87 Å²	87	50.5 Å²	50.5	41%	0.407	26%	0.259	S	S	.	.	H	α-helix	trans	-64.1	-41.8	177.8	-71.7	-57.9	132.2	0	0	112.3	E851 C852 I853 Y858 S859	E851-E855 HydrophobicContact CG-CG 4.46Å; E851-E855 WeakPolarHBondContact O-CG 3.23Å; E851-E855 PolarHBondContact O-N 2.73Å; C852-E855 PolarHBondContact O-N 2.79Å; I853-E855 VanDerWaalsContact C-N 3.33Å; I853-E855 PolarHBondContact O-N 3.18Å; E855-Y858 PolarHBondContact O-N 2.68Å; E855-S859 WeakPolarHBondContact O-CB 3.4Å; E855-S859 PolarHBondContact O-N 3.22Å
856	M	79.8	Confident	78.8	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-66.5	-39.4	177.7	-72.3	170.1	72.6	0	0	112.2	V816 C852 I853 N860 S867 Y868 T871	V816-M856 HydrophobicContact CG1-CE 4.5Å; V816-M856 HydrophobicContact CG1-SD 3.95Å; C852-M856 WeakPolarHBondContact O-CB 3.13Å; C852-M856 WeakPolarHBondContact O-CG 3.49Å; C852-M856 PolarHBondContact O-N 2.8Å; C852-M856 VanDerWaalsContact SG-SD 3.62Å; I853-M856 PolarHBondContact O-N 3.43Å; M856-N860 VanDerWaalsContact O-CB 3.3Å; M856-N860 WeakPolarHBondContact O-CB 3.25Å; M856-N860 PolarHBondContact O-N 3.11Å; M856-S867 WeakPolarHBondContact CE-O 3.41Å; M856-Y868 HydrophobicContact CB-CD2 4.45Å; M856-T871 HydrophobicContact CE-CG2 4.24Å; M856-T871 WeakPolarHBondContact CE-OG1 3.04Å
857	M	74.7	Confident	79.3	Confident	31 Å²	31	47.2 Å²	47.2	15%	0.153	24%	0.236	C	C	.	.	H	α-helix	trans	-65.6	-46.5	174.9	-73	179.2	67.6	0	0	111.1	L398 I853 S854 S859 N860 M861 Y868	L398-M857 HydrophobicContact CD1-CE 3.97Å; L398-M857 HydrophobicContact CD2-CE 3.93Å; I853-M857 HydrophobicContact CG2-CG 4.34Å; I853-M857 HydrophobicContact CG2-SD 3.88Å; I853-M857 WeakPolarHBondContact O-CB 3.25Å; I853-M857 WeakPolarHBondContact O-CG 3.42Å; I853-M857 PolarHBondContact O-N 3.36Å; S854-M857 PolarHBondContact O-N 2.92Å; M857-S859 VanDerWaalsContact C-N 3.33Å; M857-S859 PolarHBondContact O-N 2.98Å; M857-N860 PolarHBondContact O-N 3.02Å; M857-M861 WeakPolarHBondContact O-CG 3.26Å; M857-M861 PolarHBondContact O-N 3.33Å; M857-Y868 HydrophobicContact CG-CD2 3.66Å; M857-Y868 HydrophobicContact CG-CE1 4.33Å; M857-Y868 HydrophobicContact CG-CE2 3.34Å; M857-Y868 HydrophobicContact CG-CG 4.27Å; M857-Y868 HydrophobicContact SD-CE2 4.03Å
858	Y	77.7	Confident	79.6	Confident	44 Å²	44	45.8 Å²	45.8	17%	0.173	22%	0.218	C	C	.	.	H	α-helix	trans	-60.5	-44.1	176.9	-173.3	-102.4	0	0	0	111.5	I402 S854 E855 M861 L862	I402-Y858 WeakPolarHBondContact CD1-OH 3.38Å; S854-Y858 VanDerWaalsContact O-CB 3.31Å; S854-Y858 WeakPolarHBondContact O-CB 3.27Å; S854-Y858 PolarHBondContact O-N 2.96Å; E855-Y858 PolarHBondContact O-N 2.68Å; Y858-M861 PolarHBondContact O-N 2.92Å; Y858-L862 HydrophobicContact CD1-CD1 3.93Å; Y858-L862 HydrophobicContact CD2-CD1 4.07Å; Y858-L862 HydrophobicContact CE1-CD1 3.33Å; Y858-L862 HydrophobicContact CE2-CD1 3.49Å; Y858-L862 VanDerWaalsContact CE2-CD1 3.49Å; Y858-L862 HydrophobicContact CE2-CG 4.42Å; Y858-L862 HydrophobicContact CG-CD1 4.26Å; Y858-L862 PolarHBondContact O-N 2.78Å; Y858-L862 VanDerWaalsContact OH-CD1 3.22Å; Y858-L862 WeakPolarHBondContact OH-CD1 3.35Å
859	S	83.5	Confident	79.6	Confident	5 Å²	5	45.9 Å²	45.9	4%	0.035	22%	0.218	C	C	.	.	H	α-helix	trans	-62.6	-42.7	175.9	-172.6	0	0	0	0	112.3	E855 M857 M861 Y863 F864 D865	E855-S859 WeakPolarHBondContact O-CB 3.4Å; E855-S859 PolarHBondContact O-N 3.22Å; M857-S859 VanDerWaalsContact C-N 3.33Å; M857-S859 PolarHBondContact O-N 2.98Å; S859-M861 PolarHBondContact O-N 3.31Å; S859-Y863 WeakPolarHBondContact O-CA 3.31Å; S859-Y863 WeakPolarHBondContact O-CB 3.36Å; S859-Y863 PolarHBondContact O-N 2.99Å; S859-F864 PolarHBondContact O-N 2.96Å; S859-D865 WeakPolarHBondContact OG-CB 3.09Å; S859-D865 PolarHBondContact OG-OD2 3.35Å
860	N	80.7	Confident	80	Confident	34 Å²	34	45.2 Å²	45.2	18%	0.182	21%	0.214	C	C	.	.	H	α-helix	trans	-62.9	-41.1	176.4	179.1	-105	0	0	0	112.3	M856 M857 F864 D865	M856-N860 VanDerWaalsContact O-CB 3.3Å; M856-N860 WeakPolarHBondContact O-CB 3.25Å; M856-N860 PolarHBondContact O-N 3.11Å; M857-N860 PolarHBondContact O-N 3.02Å; N860-F864 VanDerWaalsContact O-CA 3.22Å; N860-F864 WeakPolarHBondContact O-CA 3.44Å; N860-F864 PolarHBondContact O-N 3.03Å; N860-F864 VanDerWaalsContact O-N 3.16Å; N860-D865 WeakPolarHBondContact CA-O 3.13Å; N860-D865 WeakPolarHBondContact CB-O 2.86Å; N860-D865 PolarHBondContact ND2-O 3.04Å
861	M	78.4	Confident	80.3	Confident	35 Å²	35	37.6 Å²	37.6	17%	0.172	18%	0.181	C	C	.	.	H	α-helix	trans	-68.6	-45.1	179.3	-69.7	177	70.5	0	0	112.3	L398 F480 M857 Y858 S859	L398-M861 HydrophobicContact CD1-SD 3.82Å; F480-M861 HydrophobicContact CD1-CE 3.73Å; F480-M861 HydrophobicContact CD2-CB 4.4Å; F480-M861 WeakPolarHBondContact CD2-O 3.43Å; F480-M861 HydrophobicContact CE1-CE 3.52Å; F480-M861 HydrophobicContact CE2-CB 4.34Å; F480-M861 WeakPolarHBondContact CE2-O 3.2Å; F480-M861 HydrophobicContact CZ-CE 4.17Å; M857-M861 WeakPolarHBondContact O-CG 3.26Å; M857-M861 PolarHBondContact O-N 3.33Å; Y858-M861 PolarHBondContact O-N 2.92Å; S859-M861 PolarHBondContact O-N 3.31Å
862	L	83.3	Confident	80.3	Confident	4 Å²	4	32.4 Å²	32.4	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-90.5	-33.3	-171	-65.5	-179.5	0	0	0	114.4	I394 L464 H478 F480 I481 Y858	I394-L862 HydrophobicContact CD1-CD1 4.12Å; I394-L862 HydrophobicContact CD1-CD2 4.49Å; I394-L862 HydrophobicContact CG2-CD1 4.45Å; I394-L862 HydrophobicContact CG2-CD2 3.85Å; L464-L862 HydrophobicContact CD2-CD1 3.62Å; H478-L862 PolarHBondContact NE2-O 3.17Å; F480-L862 HydrophobicContact CB-CD2 3.9Å; I481-L862 HydrophobicContact CD1-CD2 4.16Å; I481-L862 HydrophobicContact CG1-CD2 3.82Å; Y858-L862 HydrophobicContact CD1-CD1 3.93Å; Y858-L862 HydrophobicContact CD2-CD1 4.07Å; Y858-L862 HydrophobicContact CE1-CD1 3.33Å; Y858-L862 HydrophobicContact CE2-CD1 3.49Å; Y858-L862 VanDerWaalsContact CE2-CD1 3.49Å; Y858-L862 HydrophobicContact CE2-CG 4.42Å; Y858-L862 HydrophobicContact CG-CD1 4.26Å; Y858-L862 PolarHBondContact O-N 2.78Å; Y858-L862 VanDerWaalsContact OH-CD1 3.22Å; Y858-L862 WeakPolarHBondContact OH-CD1 3.35Å
863	Y	85.6	Confident	80.3	Confident	5 Å²	5	33.4 Å²	33.4	2%	0.02	16%	0.162	C	C	.	.	H	α-helix	trans	-118.5	6.5	-175.2	-48.2	-72	0	0	0	112.9	S463 L464 M467 L517 P577 V583 Q586 S859 D865	S463-Y863 WeakPolarHBondContact CB-OH 3.05Å; S463-Y863 PolarHBondContact OG-OH 3.05Å; L464-Y863 HydrophobicContact CD2-CE1 4.2Å; L464-Y863 HydrophobicContact CD2-CE2 4.43Å; L464-Y863 WeakPolarHBondContact CD2-OH 3.42Å; L464-Y863 VanDerWaalsContact CG-OH 3.24Å; L464-Y863 WeakPolarHBondContact CG-OH 3.43Å; L464-Y863 PolarHBondContact N-OH 2.61Å; M467-Y863 HydrophobicContact CB-CD1 3.99Å; M467-Y863 HydrophobicContact CB-CE1 3.86Å; M467-Y863 HydrophobicContact CG-CD1 3.93Å; M467-Y863 HydrophobicContact CG-CE1 4.24Å; M467-Y863 HydrophobicContact SD-CD1 4.37Å; L517-Y863 VanDerWaalsContact CD1-CB 3.43Å; L517-Y863 HydrophobicContact CD1-CG 4.04Å; P577-Y863 HydrophobicContact CB-CD2 4.02Å; P577-Y863 HydrophobicContact CB-CE2 3.68Å; P577-Y863 HydrophobicContact CG-CD2 3.94Å; P577-Y863 HydrophobicContact CG-CE2 3.54Å; V583-Y863 HydrophobicContact CG1-CD1 4.37Å; V583-Y863 HydrophobicContact CG2-CD1 3.71Å; V583-Y863 HydrophobicContact CG2-CE1 3.73Å; Q586-Y863 PolarHBondContact OE1-O 2.72Å; Q586-Y863 VanDerWaalsContact OE1-O 3.07Å; S859-Y863 WeakPolarHBondContact O-CA 3.31Å; S859-Y863 WeakPolarHBondContact O-CB 3.36Å; S859-Y863 PolarHBondContact O-N 2.99Å; Y863-D865 PolarHBondContact O-N 3.43Å; Y863-D865 VanDerWaalsContact O-N 3.13Å
864	F	83.6	Confident	80.7	Confident	92 Å²	92	30.9 Å²	30.9	40%	0.404	15%	0.15	S	C	.	.			trans	54.2	32.5	-177.2	-53.7	-75.3	0	0	0	113.5	M467 H478 P479 S859 N860 W866	M467-F864 HydrophobicContact CE-CD2 4.22Å; M467-F864 HydrophobicContact CE-CE2 4.02Å; H478-F864 AromaticContact CD2-CE2 3.95Å; H478-F864 AromaticContact NE2-CE2 3.29Å; H478-F864 VanDerWaalsContact NE2-CE2 3.29Å; H478-F864 WeakPolarHBondContact NE2-CE2 3.33Å; H478-F864 AromaticContact NE2-CZ 3.6Å; P479-F864 HydrophobicContact CG-CZ 4.36Å; S859-F864 PolarHBondContact O-N 2.96Å; N860-F864 VanDerWaalsContact O-CA 3.22Å; N860-F864 WeakPolarHBondContact O-CA 3.44Å; N860-F864 PolarHBondContact O-N 3.03Å; N860-F864 VanDerWaalsContact O-N 3.16Å; F864-W866 VanDerWaalsContact O-CD1 3.22Å; F864-W866 PolarHBondContact O-N 2.97Å; F864-W866 PolarHBondContact O-NE1 3.04Å
865	D	85.2	Confident	81.1	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.138	C	C	.	.			trans	-68	127.2	176.5	175.6	16.5	0	0	0	111.1	N518 S575 S859 N860 Y863 S867	N518-D865 WeakPolarHBondContact OD1-CA 3.32Å; N518-D865 PolarHBondContact OD1-OD1 3.22Å; S575-D865 WeakPolarHBondContact CB-OD1 3.46Å; S859-D865 WeakPolarHBondContact OG-CB 3.09Å; S859-D865 PolarHBondContact OG-OD2 3.35Å; N860-D865 WeakPolarHBondContact CA-O 3.13Å; N860-D865 WeakPolarHBondContact CB-O 2.86Å; N860-D865 PolarHBondContact ND2-O 3.04Å; Y863-D865 PolarHBondContact O-N 3.43Å; Y863-D865 VanDerWaalsContact O-N 3.13Å; D865-S867 VanDerWaalsContact C-N 3.27Å; D865-S867 VanDerWaalsContact CG-OG 3.32Å; D865-S867 PolarHBondContact O-N 2.93Å; D865-S867 WeakPolarHBondContact OD1-CB 3.47Å; D865-S867 PolarHBondContact OD1-N 3.07Å; D865-S867 PolarHBondContact OD1-OG 2.83Å; D865-S867 PolarHBondContact OD2-OG 3.29Å
866	W	83.2	Confident	81.1	Confident	108 Å²	108	25.6 Å²	25.6	41%	0.409	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-5	-176.7	-60.5	-15.8	0	0	0	113.4	N518 L772 F864 Y868 L869 I870	N518-W866 HydrophobicContact CB-CE3 4.25Å; N518-W866 PolarHBondContact OD1-N 2.87Å; L772-W866 HydrophobicContact CB-CZ3 4.32Å; L772-W866 HydrophobicContact CD1-CE3 4.36Å; L772-W866 HydrophobicContact CD1-CZ3 4.21Å; L772-W866 HydrophobicContact CD2-CZ3 3.95Å; L772-W866 HydrophobicContact CG-CZ3 4.38Å; F864-W866 VanDerWaalsContact O-CD1 3.22Å; F864-W866 PolarHBondContact O-N 2.97Å; F864-W866 PolarHBondContact O-NE1 3.04Å; W866-Y868 VanDerWaalsContact C-N 3.27Å; W866-Y868 PolarHBondContact O-N 3.31Å; W866-L869 PolarHBondContact O-N 3.14Å; W866-L869 VanDerWaalsContact O-N 3.11Å; W866-I870 HydrophobicContact CB-CD1 3.99Å; W866-I870 HydrophobicContact CB-CG1 4.32Å; W866-I870 WeakPolarHBondContact O-CG1 3.11Å; W866-I870 PolarHBondContact O-N 2.99Å
867	S	82.4	Confident	81.2	Confident	12 Å²	12	25.7 Å²	25.7	8%	0.084	12%	0.119	C	C	.	.	H	α-helix	trans	-52.5	-44	-178.9	-60.3	0	0	0	0	112.5	S575 M856 D865 T871	S575-S867 WeakPolarHBondContact CB-OG 3.3Å; M856-S867 WeakPolarHBondContact CE-O 3.41Å; D865-S867 VanDerWaalsContact C-N 3.27Å; D865-S867 VanDerWaalsContact CG-OG 3.32Å; D865-S867 PolarHBondContact O-N 2.93Å; D865-S867 WeakPolarHBondContact OD1-CB 3.47Å; D865-S867 PolarHBondContact OD1-N 3.07Å; D865-S867 PolarHBondContact OD1-OG 2.83Å; D865-S867 PolarHBondContact OD2-OG 3.29Å; S867-T871 WeakPolarHBondContact O-CB 3.47Å; S867-T871 PolarHBondContact O-N 2.48Å; S867-T871 VanDerWaalsContact O-N 3.08Å; S867-T871 PolarHBondContact O-OG1 3.01Å
868	Y	78.7	Confident	81.7	Confident	30 Å²	30	25.6 Å²	25.6	12%	0.118	12%	0.117	C	C	.	.	H	α-helix	trans	-63.9	-49.3	177.3	178	-112.2	0	0	0	112.1	L707 M856 M857 W866 I870 T871 I872	L707-Y868 HydrophobicContact CD2-CE1 3.77Å; M856-Y868 HydrophobicContact CB-CD2 4.45Å; M857-Y868 HydrophobicContact CG-CD2 3.66Å; M857-Y868 HydrophobicContact CG-CE1 4.33Å; M857-Y868 HydrophobicContact CG-CE2 3.34Å; M857-Y868 HydrophobicContact CG-CG 4.27Å; M857-Y868 HydrophobicContact SD-CE2 4.03Å; W866-Y868 VanDerWaalsContact C-N 3.27Å; W866-Y868 PolarHBondContact O-N 3.31Å; Y868-I870 PolarHBondContact O-N 3.36Å; Y868-T871 WeakPolarHBondContact O-CB 3.49Å; Y868-T871 PolarHBondContact O-N 3.47Å; Y868-I872 HydrophobicContact CD1-CD1 3.82Å; Y868-I872 HydrophobicContact CD2-CD1 4.26Å; Y868-I872 HydrophobicContact CE1-CD1 3.28Å; Y868-I872 HydrophobicContact CE2-CD1 3.76Å; Y868-I872 HydrophobicContact CE2-CG1 4.35Å; Y868-I872 HydrophobicContact CG-CD1 4.29Å; Y868-I872 PolarHBondContact O-N 3.14Å
869	L	78.5	Confident	81.8	Confident	39 Å²	39	24.5 Å²	24.5	20%	0.204	11%	0.114	C	C	.	.	H	α-helix	trans	-59.8	-48.1	-179.7	-179.4	65.2	0	0	0	111.7	A704 W866 T871 I872 I873	A704-L869 HydrophobicContact CB-CD1 4.25Å; A704-L869 VanDerWaalsContact O-CD1 3.3Å; A704-L869 WeakPolarHBondContact O-CD1 3.46Å; W866-L869 PolarHBondContact O-N 3.14Å; W866-L869 VanDerWaalsContact O-N 3.11Å; L869-T871 VanDerWaalsContact C-N 3.27Å; L869-T871 PolarHBondContact O-N 2.76Å; L869-I872 PolarHBondContact O-N 3.15Å; L869-I873 HydrophobicContact CD1-CD1 4.35Å; L869-I873 HydrophobicContact CG-CD1 4.04Å; L869-I873 VanDerWaalsContact O-CG1 3.29Å; L869-I873 WeakPolarHBondContact O-CG1 3.32Å; L869-I873 PolarHBondContact O-N 3.03Å
870	I	82.6	Confident	81.6	Confident	13 Å²	13	24.5 Å²	24.5	7%	0.067	11%	0.114	C	C	.	.	H	α-helix	trans	-62.5	-39.1	178.7	-64.4	167.7	0	0	0	110.4	I769 L776 W866 Y868 I872 I873 C874	I769-I870 HydrophobicContact CD1-CG2 3.62Å; I769-I870 HydrophobicContact CG1-CG2 3.84Å; I769-I870 HydrophobicContact CG2-CG2 4.2Å; L776-I870 HydrophobicContact CD2-CB 4.19Å; L776-I870 HydrophobicContact CD2-CD1 3.8Å; L776-I870 HydrophobicContact CD2-CG2 3.6Å; W866-I870 HydrophobicContact CB-CD1 3.99Å; W866-I870 HydrophobicContact CB-CG1 4.32Å; W866-I870 WeakPolarHBondContact O-CG1 3.11Å; W866-I870 PolarHBondContact O-N 2.99Å; Y868-I870 PolarHBondContact O-N 3.36Å; I870-I872 PolarHBondContact O-N 2.82Å; I870-I873 PolarHBondContact O-N 2.77Å; I870-C874 WeakPolarHBondContact O-CB 3.43Å; I870-C874 PolarHBondContact O-N 3.31Å; I870-C874 PolarHBondContact O-SG 2.81Å; I870-C874 VanDerWaalsContact O-SG 3.34Å
871	T	81.7	Confident	81.7	Confident	7 Å²	7	22.9 Å²	22.9	4%	0.043	11%	0.106	C	C	.	.	H	α-helix	trans	-64.9	-39.2	178.1	-59.9	0	0	0	0	112	P812 L813 M856 S867 Y868 L869 C874 L875	P812-T871 HydrophobicContact CB-CG2 3.84Å; L813-T871 HydrophobicContact CD2-CG2 3.67Å; L813-T871 HydrophobicContact CG-CG2 4.12Å; M856-T871 HydrophobicContact CE-CG2 4.24Å; M856-T871 WeakPolarHBondContact CE-OG1 3.04Å; S867-T871 WeakPolarHBondContact O-CB 3.47Å; S867-T871 PolarHBondContact O-N 2.48Å; S867-T871 VanDerWaalsContact O-N 3.08Å; S867-T871 PolarHBondContact O-OG1 3.01Å; Y868-T871 WeakPolarHBondContact O-CB 3.49Å; Y868-T871 PolarHBondContact O-N 3.47Å; L869-T871 VanDerWaalsContact C-N 3.27Å; L869-T871 PolarHBondContact O-N 2.76Å; T871-C874 PolarHBondContact O-N 2.83Å; T871-L875 VanDerWaalsContact O-CB 3.31Å; T871-L875 WeakPolarHBondContact O-CB 3.33Å; T871-L875 PolarHBondContact O-N 3.18Å
872	I	78.2	Confident	81.9	Confident	11 Å²	11	22.4 Å²	22.4	6%	0.056	10%	0.104	C	C	.	.	H	α-helix	trans	-66	-43.5	174.6	-73.4	172.2	0	0	0	111.8	L707 L726 Y868 L869 I870 C874 L875 T876	L707-I872 HydrophobicContact CD2-CD1 3.86Å; L726-I872 HydrophobicContact CD1-CD1 4.12Å; L726-I872 HydrophobicContact CD2-CD1 4.21Å; L726-I872 HydrophobicContact CD2-CG2 3.91Å; Y868-I872 HydrophobicContact CD1-CD1 3.82Å; Y868-I872 HydrophobicContact CD2-CD1 4.26Å; Y868-I872 HydrophobicContact CE1-CD1 3.28Å; Y868-I872 HydrophobicContact CE2-CD1 3.76Å; Y868-I872 HydrophobicContact CE2-CG1 4.35Å; Y868-I872 HydrophobicContact CG-CD1 4.29Å; Y868-I872 PolarHBondContact O-N 3.14Å; L869-I872 PolarHBondContact O-N 3.15Å; I870-I872 PolarHBondContact O-N 2.82Å; I872-C874 VanDerWaalsContact C-N 3.33Å; I872-C874 PolarHBondContact O-N 2.84Å; I872-L875 WeakPolarHBondContact O-CA 3.23Å; I872-L875 WeakPolarHBondContact O-CB 3.43Å; I872-L875 PolarHBondContact O-N 3.06Å; I872-L875 VanDerWaalsContact O-N 3.11Å; I872-T876 PolarHBondContact O-N 3.37Å; I872-T876 PolarHBondContact O-OG1 2.92Å
873	I	79.9	Confident	81.5	Confident	24 Å²	24	22.2 Å²	22.2	12%	0.123	10%	0.103	C	C	.	.	H	α-helix	trans	-58	-48.9	176.3	-75	172.8	0	0	0	109.8	F700 A704 T765 L869 I870 L875 T876 I877	F700-I873 HydrophobicContact CD2-CG2 4.45Å; F700-I873 HydrophobicContact CE2-CB 4.4Å; F700-I873 HydrophobicContact CE2-CG2 3.42Å; F700-I873 VanDerWaalsContact CE2-CG2 3.42Å; F700-I873 HydrophobicContact CZ-CG2 3.63Å; A704-I873 HydrophobicContact CB-CD1 4.02Å; A704-I873 HydrophobicContact CB-CG1 4.13Å; T765-I873 HydrophobicContact CG2-CG2 4.34Å; L869-I873 HydrophobicContact CD1-CD1 4.35Å; L869-I873 HydrophobicContact CG-CD1 4.04Å; L869-I873 VanDerWaalsContact O-CG1 3.29Å; L869-I873 WeakPolarHBondContact O-CG1 3.32Å; L869-I873 PolarHBondContact O-N 3.03Å; I870-I873 PolarHBondContact O-N 2.77Å; I873-L875 VanDerWaalsContact C-N 3.29Å; I873-L875 PolarHBondContact O-N 3.3Å; I873-T876 WeakPolarHBondContact O-CB 3.46Å; I873-T876 PolarHBondContact O-N 2.8Å; I873-I877 PolarHBondContact O-N 3.18Å
874	C	84	Confident	81.1	Confident	4 Å²	4	22.9 Å²	22.9	3%	0.027	11%	0.106	C	C	.	.	H	α-helix	trans	-64.8	-32.8	175.4	-68.9	0	0	0	0	112.5	F780 P812 I870 T871 I872 T876 I877 W878	F780-C874 HydrophobicContact CD1-CB 4.34Å; F780-C874 HydrophobicContact CE1-CB 3.53Å; F780-C874 WeakPolarHBondContact CE1-SG 3.5Å; F780-C874 HydrophobicContact CZ-CB 3.91Å; P812-C874 HydrophobicContact CB-CB 4.04Å; P812-C874 HydrophobicContact CG-CB 3.76Å; I870-C874 WeakPolarHBondContact O-CB 3.43Å; I870-C874 PolarHBondContact O-N 3.31Å; I870-C874 PolarHBondContact O-SG 2.81Å; I870-C874 VanDerWaalsContact O-SG 3.34Å; T871-C874 PolarHBondContact O-N 2.83Å; I872-C874 VanDerWaalsContact C-N 3.33Å; I872-C874 PolarHBondContact O-N 2.84Å; C874-T876 VanDerWaalsContact C-N 3.34Å; C874-I877 PolarHBondContact O-N 3.12Å; C874-W878 WeakPolarHBondContact O-CB 3.05Å; C874-W878 PolarHBondContact O-N 3.42Å
875	L	82.7	Confident	80.8	Confident	37 Å²	37	18.6 Å²	18.6	19%	0.194	9%	0.087	C	C	.	.	H	α-helix	trans	-65.6	-38.7	175.1	-177.4	65.7	0	0	0	111.2	H811 P812 T871 I872 I873 I877 W878 I879	H811-L875 VanDerWaalsContact NE2-CD1 3.31Å; H811-L875 WeakPolarHBondContact NE2-CD1 3.38Å; P812-L875 HydrophobicContact CG-CB 4.31Å; T871-L875 VanDerWaalsContact O-CB 3.31Å; T871-L875 WeakPolarHBondContact O-CB 3.33Å; T871-L875 PolarHBondContact O-N 3.18Å; I872-L875 WeakPolarHBondContact O-CA 3.23Å; I872-L875 WeakPolarHBondContact O-CB 3.43Å; I872-L875 PolarHBondContact O-N 3.06Å; I872-L875 VanDerWaalsContact O-N 3.11Å; I873-L875 VanDerWaalsContact C-N 3.29Å; I873-L875 PolarHBondContact O-N 3.3Å; L875-I877 VanDerWaalsContact C-N 3.31Å; L875-I877 PolarHBondContact O-N 3.45Å; L875-W878 HydrophobicContact CD1-CE3 4.09Å; L875-W878 WeakPolarHBondContact O-CB 3.24Å; L875-W878 PolarHBondContact O-N 2.79Å; L875-I879 HydrophobicContact CD1-CG1 4.42Å; L875-I879 HydrophobicContact CG-CD1 4.28Å; L875-I879 HydrophobicContact CG-CG1 4.44Å; L875-I879 WeakPolarHBondContact O-CG1 3.5Å; L875-I879 PolarHBondContact O-N 3.06Å
876	T	78.4	Confident	80	Confident	2 Å²	2	21.2 Å²	21.2	1%	0.012	10%	0.101	C	C	.	.	H	α-helix	trans	-61.1	-42.2	175.8	-60.8	0	0	0	0	111.1	P699 F700 H730 I872 I873 C874 I879 A880	P699-T876 HydrophobicContact CB-CG2 4.2Å; F700-T876 HydrophobicContact CB-CG2 4.49Å; H730-T876 PolarHBondContact NE2-OG1 3.39Å; I872-T876 PolarHBondContact O-N 3.37Å; I872-T876 PolarHBondContact O-OG1 2.92Å; I873-T876 WeakPolarHBondContact O-CB 3.46Å; I873-T876 PolarHBondContact O-N 2.8Å; C874-T876 VanDerWaalsContact C-N 3.34Å; T876-I879 PolarHBondContact O-N 3.31Å; T876-A880 WeakPolarHBondContact O-CB 3.38Å; T876-A880 PolarHBondContact O-N 3.42Å
877	I	81.9	Confident	78.9	Confident	2 Å²	2	16.7 Å²	16.7	1%	0.01	9%	0.085	C	C	.	.	H	α-helix	trans	-65.5	-41.7	175	-59.5	172.9	0	0	0	111	L758 L761 L762 T765 I873 C874 L875 A880 A881	L758-I877 HydrophobicContact CD1-CG2 3.91Å; L761-I877 HydrophobicContact CD2-CG1 4.14Å; L761-I877 HydrophobicContact CG-CD1 4.5Å; L761-I877 HydrophobicContact CG-CG1 4.37Å; L762-I877 HydrophobicContact CB-CG2 4.39Å; L762-I877 HydrophobicContact CD1-CG2 4.1Å; T765-I877 HydrophobicContact CG2-CD1 3.82Å; T765-I877 WeakPolarHBondContact OG1-CD1 3.48Å; I873-I877 PolarHBondContact O-N 3.18Å; C874-I877 PolarHBondContact O-N 3.12Å; L875-I877 VanDerWaalsContact C-N 3.31Å; L875-I877 PolarHBondContact O-N 3.45Å; I877-A880 PolarHBondContact O-N 2.84Å; I877-A881 WeakPolarHBondContact O-CB 3.47Å; I877-A881 PolarHBondContact O-N 3.39Å
878	W	85.4	Confident	77.6	Confident	29 Å²	29	16.8 Å²	16.8	11%	0.11	9%	0.086	C	C	.	.	H	α-helix	trans	-61.4	-42.3	176.3	-176.1	94.3	0	0	0	112.2	F784 L807 H811 P812 C874 L875 A881 L882	F784-W878 HydrophobicContact CE1-CB 4.06Å; F784-W878 HydrophobicContact CZ-CB 4.07Å; F784-W878 AromaticContact CZ-CD1 3.98Å; F784-W878 HydrophobicContact CZ-CG 4.43Å; L807-W878 HydrophobicContact CD1-CG 4.24Å; L807-W878 HydrophobicContact CD2-CZ2 4.47Å; L807-W878 HydrophobicContact CG-CD2 4.5Å; L807-W878 HydrophobicContact CG-CZ2 4.1Å; L807-W878 PolarHBondContact O-NE1 3.4Å; H811-W878 AromaticContact CD2-CD2 3.9Å; H811-W878 AromaticContact CD2-CE2 3.68Å; H811-W878 AromaticContact CD2-CH2 3.96Å; H811-W878 AromaticContact CD2-CZ2 3.74Å; P812-W878 HydrophobicContact CG-CB 4.42Å; C874-W878 WeakPolarHBondContact O-CB 3.05Å; C874-W878 PolarHBondContact O-N 3.42Å; L875-W878 HydrophobicContact CD1-CE3 4.09Å; L875-W878 WeakPolarHBondContact O-CB 3.24Å; L875-W878 PolarHBondContact O-N 2.79Å; W878-A881 WeakPolarHBondContact O-CB 3.31Å; W878-A881 PolarHBondContact O-N 2.77Å; W878-L882 HydrophobicContact CH2-CD2 3.94Å; W878-L882 HydrophobicContact CZ3-CD2 3.89Å; W878-L882 PolarHBondContact O-N 2.75Å
879	I	80.8	Confident	76.1	Confident	22 Å²	22	22.5 Å²	22.5	11%	0.113	11%	0.108	C	C	.	.	H	α-helix	trans	-68.2	-41.6	176.9	-68.5	-175.2	0	0	0	111.1	H730 A733 F734 L875 T876 A881 L882 G883	H730-I879 HydrophobicContact CB-CD1 3.6Å; H730-I879 VanDerWaalsContact CD2-CD1 3.4Å; H730-I879 WeakPolarHBondContact CD2-CD1 3.28Å; A733-I879 HydrophobicContact CB-CG2 4.37Å; F734-I879 HydrophobicContact CB-CG2 3.72Å; F734-I879 HydrophobicContact CD2-CG2 4.17Å; F734-I879 HydrophobicContact CG-CG2 4.44Å; L875-I879 HydrophobicContact CD1-CG1 4.42Å; L875-I879 HydrophobicContact CG-CD1 4.28Å; L875-I879 HydrophobicContact CG-CG1 4.44Å; L875-I879 WeakPolarHBondContact O-CG1 3.5Å; L875-I879 PolarHBondContact O-N 3.06Å; T876-I879 PolarHBondContact O-N 3.31Å; I879-A881 VanDerWaalsContact C-N 3.26Å; I879-A881 PolarHBondContact O-N 2.93Å; I879-L882 WeakPolarHBondContact O-CB 3.21Å; I879-L882 PolarHBondContact O-N 3.27Å; I879-G883 PolarHBondContact O-N 2.97Å
880	A	77.4	Confident	74.5	Confident	4 Å²	4	25.3 Å²	25.3	3%	0.033	15%	0.147	C	C	.	.	H	α-helix	trans	-61.9	-37.6	174.2	0	0	0	0	0	111.9	L696 L758 T876 I877 G883 Y884	L696-A880 HydrophobicContact CD1-CB 3.49Å; L696-A880 VanDerWaalsContact CD1-CB 3.49Å; L758-A880 HydrophobicContact CD1-CB 3.78Å; T876-A880 WeakPolarHBondContact O-CB 3.38Å; T876-A880 PolarHBondContact O-N 3.42Å; I877-A880 PolarHBondContact O-N 2.84Å; A880-G883 PolarHBondContact O-N 2.95Å; A880-Y884 PolarHBondContact O-N 3.06Å
881	A	83.1	Confident	74.1	Confident	0 Å²	0	26 Å²	26	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.1	-44	172.5	0	0	0	0	0	111.5	L758 V788 M791 L807 I877 W878 I879 Y884 I885	L758-A881 HydrophobicContact CD2-CB 4.04Å; V788-A881 HydrophobicContact CG2-CB 4.49Å; M791-A881 HydrophobicContact CE-CB 3.55Å; M791-A881 WeakPolarHBondContact CE-O 3.21Å; M791-A881 HydrophobicContact SD-CB 4.08Å; L807-A881 HydrophobicContact CD1-CB 4.11Å; I877-A881 WeakPolarHBondContact O-CB 3.47Å; I877-A881 PolarHBondContact O-N 3.39Å; W878-A881 WeakPolarHBondContact O-CB 3.31Å; W878-A881 PolarHBondContact O-N 2.77Å; I879-A881 VanDerWaalsContact C-N 3.26Å; I879-A881 PolarHBondContact O-N 2.93Å; A881-Y884 WeakPolarHBondContact O-CB 3.28Å; A881-Y884 PolarHBondContact O-N 3.13Å; A881-I885 PolarHBondContact O-N 3.17Å
882	L	82.5	Confident	73.7	Confident	25 Å²	25	26.9 Å²	26.9	13%	0.131	16%	0.156	C	C	.	.	H	α-helix	trans	-60.5	-46.6	175.1	-178	65.7	0	0	0	111.6	F734 L804 L807 W878 I879 Y884 I885 L886	F734-L882 HydrophobicContact CD2-CD2 4.3Å; F734-L882 HydrophobicContact CE2-CD2 3.82Å; F734-L882 HydrophobicContact CE2-CG 4.06Å; L804-L882 HydrophobicContact CD1-CD1 3.74Å; L807-L882 HydrophobicContact CD2-CB 3.79Å; L807-L882 HydrophobicContact CD2-CD1 3.93Å; L807-L882 HydrophobicContact CD2-CG 4.48Å; W878-L882 HydrophobicContact CH2-CD2 3.94Å; W878-L882 HydrophobicContact CZ3-CD2 3.89Å; W878-L882 PolarHBondContact O-N 2.75Å; I879-L882 WeakPolarHBondContact O-CB 3.21Å; I879-L882 PolarHBondContact O-N 3.27Å; L882-Y884 VanDerWaalsContact C-N 3.25Å; L882-Y884 PolarHBondContact O-N 3.49Å; L882-I885 PolarHBondContact O-N 3.41Å; L882-I885 VanDerWaalsContact O-N 3.13Å; L882-L886 HydrophobicContact CD1-CD1 4.29Å; L882-L886 HydrophobicContact CG-CD1 4.33Å; L882-L886 PolarHBondContact O-N 3.44Å; L882-L886 VanDerWaalsContact O-N 3.13Å
883	G	75.5	Confident	73.4	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-60.9	-32.8	176.2	0	0	0	0	0	112.6	P737 I879 A880 I885 P887	P737-G883 WeakPolarHBondContact CB-O 3.45Å; P737-G883 VanDerWaalsContact CG-C 3.5Å; P737-G883 VanDerWaalsContact CG-O 3.32Å; P737-G883 WeakPolarHBondContact CG-O 3.37Å; I879-G883 PolarHBondContact O-N 2.97Å; A880-G883 PolarHBondContact O-N 2.95Å; G883-I885 VanDerWaalsContact C-N 3.35Å; G883-I885 PolarHBondContact O-N 3.02Å; G883-P887 WeakPolarHBondContact O-CD 3.29Å
884	Y	77.9	Confident	73.1	Confident	18 Å²	18	28.1 Å²	28.1	7%	0.071	16%	0.164	C	C	.	.	H	α-helix	trans	-65.4	-35.1	174.8	172	-102.7	0	0	0	112.8	Y751 L754 K755 M791 C793 A880 A881 L882	Y751-Y884 HydrophobicContact CD1-CD2 4.34Å; Y751-Y884 HydrophobicContact CD1-CE2 4.43Å; Y751-Y884 WeakPolarHBondContact O-CE2 3.48Å; L754-Y884 HydrophobicContact CD2-CD2 4.14Å; L754-Y884 HydrophobicContact CG-CD2 4.41Å; K755-Y884 HydrophobicContact CB-CD2 4.38Å; K755-Y884 HydrophobicContact CB-CE2 3.77Å; K755-Y884 HydrophobicContact CD-CE1 4.35Å; M791-Y884 HydrophobicContact CB-CE1 4.46Å; M791-Y884 HydrophobicContact CE-CD1 4.16Å; C793-Y884 VanDerWaalsContact SG-CE2 3.57Å; A880-Y884 PolarHBondContact O-N 3.06Å; A881-Y884 WeakPolarHBondContact O-CB 3.28Å; A881-Y884 PolarHBondContact O-N 3.13Å; L882-Y884 VanDerWaalsContact C-N 3.25Å; L882-Y884 PolarHBondContact O-N 3.49Å
885	I	75.8	Confident	72.4	Confident	2 Å²	2	29.6 Å²	29.6	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-80.3	-36.5	-179.3	-57	168.4	0	0	0	111.3	M791 F800 Q803 L807 A881 L882 G883 S888	M791-I885 HydrophobicContact CE-CD1 3.23Å; M791-I885 HydrophobicContact CE-CG1 3.35Å; M791-I885 HydrophobicContact CG-CD1 4.02Å; M791-I885 HydrophobicContact CG-CG1 4.49Å; M791-I885 HydrophobicContact SD-CD1 4.05Å; F800-I885 HydrophobicContact CD2-CG2 3.48Å; F800-I885 VanDerWaalsContact CD2-CG2 3.48Å; F800-I885 HydrophobicContact CE2-CG2 3.67Å; Q803-I885 HydrophobicContact CB-CD1 3.87Å; L807-I885 HydrophobicContact CD2-CD1 4.22Å; A881-I885 PolarHBondContact O-N 3.17Å; L882-I885 PolarHBondContact O-N 3.41Å; L882-I885 VanDerWaalsContact O-N 3.13Å; G883-I885 VanDerWaalsContact C-N 3.35Å; G883-I885 PolarHBondContact O-N 3.02Å; I885-S888 VanDerWaalsContact O-CB 3.3Å; I885-S888 WeakPolarHBondContact O-CB 3.15Å; I885-S888 PolarHBondContact O-N 2.9Å; I885-S888 VanDerWaalsContact O-N 3.1Å; I885-S888 PolarHBondContact O-OG 2.82Å
886	L	69.2	Low	71.7	Confident	55 Å²	55	29.1 Å²	29.1	29%	0.288	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-54.8	-49.9	-168.9	-130	90.1	0	0	0	115	F734 L738 L882 S888 Y889	F734-L886 HydrophobicContact CE1-CD2 4.44Å; F734-L886 HydrophobicContact CE2-CD1 4.31Å; F734-L886 HydrophobicContact CE2-CD2 4.38Å; F734-L886 HydrophobicContact CZ-CD1 4.29Å; F734-L886 HydrophobicContact CZ-CD2 3.7Å; L738-L886 HydrophobicContact CD1-CD2 4.45Å; L738-L886 HydrophobicContact CD2-CD2 4.1Å; L882-L886 HydrophobicContact CD1-CD1 4.29Å; L882-L886 HydrophobicContact CG-CD1 4.33Å; L882-L886 PolarHBondContact O-N 3.44Å; L882-L886 VanDerWaalsContact O-N 3.13Å; L886-S888 PolarHBondContact O-N 3.32Å; L886-Y889 PolarHBondContact O-N 3.21Å
887	P	60.6	Low	71.2	Confident	13 Å²	13	31 Å²	31	8%	0.084	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-67.4	-4	-177.5	-21.9	34	0	0	0	114.3	P737 L738 Y751 G883 Y889 G890	P737-P887 HydrophobicContact CB-CG 3.7Å; P737-P887 WeakPolarHBondContact O-CG 3.3Å; L738-P887 HydrophobicContact CD2-CG 4.29Å; Y751-P887 HydrophobicContact CE1-CB 3.87Å; Y751-P887 HydrophobicContact CE1-CG 3.85Å; Y751-P887 WeakPolarHBondContact OH-CB 3.21Å; Y751-P887 WeakPolarHBondContact OH-CG 3.29Å; G883-P887 WeakPolarHBondContact O-CD 3.29Å; P887-Y889 PolarHBondContact O-N 3.26Å; P887-G890 PolarHBondContact O-N 3.42Å
888	S	55.6	Low	70.4	Confident	14 Å²	14	33.2 Å²	33.2	10%	0.098	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-73	-16	174	69.6	0	0	0	0	113.5	S794 I885 L886	S794-S888 WeakPolarHBondContact O-CB 3.11Å; S794-S888 PolarHBondContact O-OG 2.81Å; I885-S888 VanDerWaalsContact O-CB 3.3Å; I885-S888 WeakPolarHBondContact O-CB 3.15Å; I885-S888 PolarHBondContact O-N 2.9Å; I885-S888 VanDerWaalsContact O-N 3.1Å; I885-S888 PolarHBondContact O-OG 2.82Å; L886-S888 PolarHBondContact O-N 3.32Å
889	Y	47.4	Very low	69.1	Low	151 Å²	151	33.6 Å²	33.6	59%	0.592	20%	0.203	S	C	*	.			trans	-92.3	-13.5	174.8	-162.6	-100.2	0	0	0	113.6	I797 L886 P887	I797-Y889 HydrophobicContact CB-CE2 4.32Å; I797-Y889 HydrophobicContact CD1-CE2 3.95Å; I797-Y889 HydrophobicContact CG1-CE2 4.01Å; L886-Y889 PolarHBondContact O-N 3.21Å; P887-Y889 PolarHBondContact O-N 3.26Å
890	G	43.8	Very low	68.1	Low	98 Å²	98	34.6 Å²	34.6	100%	1.01	21%	0.212	S	C	*	.			trans	-98.5	0	176.7	0	0	0	0	0	112.9	R747 P887	R747-G890 PolarHBondContact NH2-OXT 3.46Å; R747-G890 VanDerWaalsContact NH2-OXT 3.12Å; P887-G890 PolarHBondContact O-N 3.42Å

Retrieved 890 of 890 residues in 1171 ms (Link to these results)

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