A0A087Y824_POEFO Loading...

Apoptosis-resistant E3 ubiquitin protein ligase 1

E3 ubiquitin-protein ligase that catalyzes 'Lys-11'- or 'Lys-33'-linked polyubiquitin chains, with some preference for 'Lys-33' linkages. E3 ubiquitin-protein ligases accept ubiquitin from an E2 ubiquitin-conjugating enzyme in the form of a thioester and then directly transfers the ubiquitin to targeted substrates. Ubiquitinates SEPTIN4, DIABLO/SMAC and HTRA2 in vitro. Modulates pulmonary inflammation by targeting SOCS2 for ubiquitination and subsequent degradation by the proteasome.

AlphaFold DB , UniProt , Accession A0A087Y824, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,019 aa.

						>A0A087Y824_POEFO|A0A087Y824
MDRRFFLTLLFCSLSWILFWEVRWKKRKEGQIEEWLQVHSLSQYSHLFEDVQTLEELSLSALSRLEEVVKEQQHWREIAEAHIKLLRDFAFQEWLSSQNLEHYHHILKTLGCINLDDLSRFDSQLQLSLAAWGYYYDDYIKLSTGIKILQTSRGSRDQDYEIRLVRSLAERRLNEKWSTAGALLFGCTVALCFLIRDLMFYVIGGITVSIIAFFFTIKFLCELAARIVSFLQNEDPGRRGDRSIYDYVRGNYLDPRSCKVSWDWKEPQEVGQTMTFRVQLFYKNGQPFPAHRPVGLRVNITHIELALDIPVTQEVLQEPESNVVKVAFTVRKAGRYEVAVKLGGLNVAYSPYYKIFQPGTVVPSKTKIAYHFSTLVLTNGQQHTLQIEPRDEYGNPTSNSTSLTDEENYSVHIHSLGTVDDDSSDDFYSKSVSLNKQQCQVLLRLTLRKTGCFRARISYKDQPLSNGEFDIIVLSENEKSCVEKNVSTPGISIYFEAYLYSSGNYSSSSWQLPASSLLAPQRRPSMGEEDEEHDSPVEGQPEKVKKPKKVYCYISPKQLSVKEFYLKIIPWRLFTFRVCPGTKFTYYGSDPVHKYLTLVVDDGIQPPVELSCKDRNIMAATFIRFLHKNIGGSETFQDKVNFFQRELRHIHSKKPRTKTCLKITRHAILESSLKVTRNFSVSDWSKNFEVVFQDEEALDWGGPRREWFELICKALFDTSNQLFTRFSENNQGLVHPNADRPAHLRLKMYEFAGRVVGKCLYESALGGAYKQLVRARFTRSFLAQIIGLRMNYKYFETDDQEFYKTKVCFILNNDVSEMDLVFAEEKYKSGQLEKVVELISGGAQIAVTNDNKIHYLNLLAQYRLASQVRDEVEHFLKGLNELVPENLLAIFDENELELLMCGTGNINVQDFKAHAVIVGGSWHFREKVMKWFWAVVSSFTQEELARLLQFTTGSSQLPPGGFNTLCPSFQIIAAPTHSTLPTAHTCFNQLCLPTYDSYEELHKMLKLAISEGSEGFGML
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.8	Low	58.5	Low	176 Å²	176	127.9 Å²	127.9	87%	0.867	59%	0.593	S	S	*	*				0	114.4	0	-145	172.9	179.5	0	0	106.9	F5 F6	M1-F5 HydrophobicContact CE-CD1 3.93Å; M1-F5 HydrophobicContact CE-CE1 3.71Å; M1-F6 HydrophobicContact SD-CE2 4.47Å
2	D	54.3	Low	58.4	Low	115 Å²	115	123.8 Å²	123.8	62%	0.615	59%	0.587	S	S	*	*			trans	-73	139.2	-159.7	-149.9	-8.1	0	0	0	111.9	R4 F5	D2-R4 PolarHBondContact O-N 2.58Å; D2-F5 WeakPolarHBondContact O-CB 3.27Å; D2-F5 PolarHBondContact O-N 3.23Å
3	R	52.1	Low	58.4	Low	213 Å²	213	118.7 Å²	118.7	80%	0.804	57%	0.573	S	S	*	*	H	α-helix	trans	-58.2	-24.7	-173.2	-149	175.9	-177.2	-175.9	0.3	111.8	L7	R3-L7 PolarHBondContact O-N 3.14Å
4	R	54.6	Low	58.5	Low	198 Å²	198	116.6 Å²	116.6	75%	0.747	57%	0.566	S	S	*	*	H	α-helix	trans	-69.5	-32.5	175	-62	-178.6	-174.3	-174.8	2.3	113.3	D2 T8	D2-R4 PolarHBondContact O-N 2.58Å; R4-T8 WeakPolarHBondContact O-CB 3.41Å; R4-T8 PolarHBondContact O-N 3.45Å; R4-T8 PolarHBondContact O-OG1 3.05Å
5	F	57.6	Low	58.5	Low	56 Å²	56	112.5 Å²	112.5	25%	0.246	55%	0.554	C	S	.	*	H	α-helix	trans	-68.7	-45.3	178.7	-175.9	-96.4	0	0	0	111.5	M1 D2 T8 L9 A190 F193	M1-F5 HydrophobicContact CE-CD1 3.93Å; M1-F5 HydrophobicContact CE-CE1 3.71Å; D2-F5 WeakPolarHBondContact O-CB 3.27Å; D2-F5 PolarHBondContact O-N 3.23Å; F5-T8 PolarHBondContact O-N 3.03Å; F5-L9 WeakPolarHBondContact O-CB 3.41Å; F5-L9 PolarHBondContact O-N 3.36Å; F5-A190 HydrophobicContact CZ-CB 3.86Å; F5-F193 HydrophobicContact CE2-CB 4.06Å
6	F	60.4	Low	58.6	Low	127 Å²	127	115.6 Å²	115.6	56%	0.557	56%	0.557	S	S	*	*	H	α-helix	trans	-64.8	-41.3	177.1	-110.1	-85.2	0	0	0	112.2	M1 T8 L10	M1-F6 HydrophobicContact SD-CE2 4.47Å; F6-T8 PolarHBondContact O-N 3.2Å; F6-L10 VanDerWaalsContact O-CB 3.25Å; F6-L10 WeakPolarHBondContact O-CB 3.38Å; F6-L10 PolarHBondContact O-N 3.04Å
7	L	61.2	Low	58.7	Low	116 Å²	116	114.6 Å²	114.6	61%	0.607	55%	0.554	S	S	*	*	H	α-helix	trans	-64.7	-38.2	176.9	-96.1	148	0	0	0	112.7	R3 F11	R3-L7 PolarHBondContact O-N 3.14Å; L7-F11 WeakPolarHBondContact O-CB 3.27Å; L7-F11 PolarHBondContact O-N 3.09Å
8	T	60.5	Low	58.5	Low	85 Å²	85	114.1 Å²	114.1	52%	0.521	56%	0.555	S	S	.	*	H	α-helix	trans	-74.9	-39.7	-180	-42	0	0	0	0	111.3	R4 F5 F6 F11 C12	R4-T8 WeakPolarHBondContact O-CB 3.41Å; R4-T8 PolarHBondContact O-N 3.45Å; R4-T8 PolarHBondContact O-OG1 3.05Å; F5-T8 PolarHBondContact O-N 3.03Å; F6-T8 PolarHBondContact O-N 3.2Å; T8-F11 PolarHBondContact O-N 2.79Å; T8-C12 WeakPolarHBondContact O-CB 3.28Å; T8-C12 PolarHBondContact O-N 2.8Å; T8-C12 PolarHBondContact O-SG 2.79Å; T8-C12 VanDerWaalsContact O-SG 3.37Å
9	L	61.1	Low	58.4	Low	77 Å²	77	114.1 Å²	114.1	40%	0.403	55%	0.552	S	S	.	*	H	α-helix	trans	-61.9	-45.6	174.4	-166.8	82.3	0	0	0	110.9	F5 S13	F5-L9 WeakPolarHBondContact O-CB 3.41Å; F5-L9 PolarHBondContact O-N 3.36Å; L9-S13 WeakPolarHBondContact O-CB 3.4Å; L9-S13 PolarHBondContact O-N 3.06Å; L9-S13 VanDerWaalsContact O-N 3.07Å; L9-S13 PolarHBondContact O-OG 3.24Å
10	L	64.3	Low	58.2	Low	99 Å²	99	116 Å²	116	52%	0.518	55%	0.553	S	S	.	*	H	α-helix	trans	-66	-41.5	179.3	-152.8	104.3	0	0	0	111.6	F6 S13 L14	F6-L10 VanDerWaalsContact O-CB 3.25Å; F6-L10 WeakPolarHBondContact O-CB 3.38Å; F6-L10 PolarHBondContact O-N 3.04Å; L10-S13 PolarHBondContact O-OG 3.36Å; L10-L14 HydrophobicContact CD2-CD1 3.7Å; L10-L14 HydrophobicContact CG-CD1 3.91Å; L10-L14 VanDerWaalsContact O-CB 3.25Å; L10-L14 WeakPolarHBondContact O-CB 3.24Å; L10-L14 WeakPolarHBondContact O-CD1 3.42Å; L10-L14 WeakPolarHBondContact O-CG 3.47Å; L10-L14 PolarHBondContact O-N 2.85Å
11	F	66.1	Low	57.9	Low	145 Å²	145	116.7 Å²	116.7	64%	0.636	56%	0.556	S	S	*	*	H	α-helix	trans	-68.7	-40.5	-180	-170.7	-95.2	0	0	0	113	L7 T8 S15	L7-F11 WeakPolarHBondContact O-CB 3.27Å; L7-F11 PolarHBondContact O-N 3.09Å; T8-F11 PolarHBondContact O-N 2.79Å; F11-S15 WeakPolarHBondContact O-CB 3.25Å; F11-S15 PolarHBondContact O-N 2.87Å; F11-S15 PolarHBondContact O-OG 3.26Å
12	C	57.6	Low	58	Low	78 Å²	78	112 Å²	112	53%	0.527	54%	0.536	S	S	.	.	H	α-helix	trans	-71	-38.5	177.6	-70.7	0	0	0	0	112.4	T8 W16	T8-C12 WeakPolarHBondContact O-CB 3.28Å; T8-C12 PolarHBondContact O-N 2.8Å; T8-C12 PolarHBondContact O-SG 2.79Å; T8-C12 VanDerWaalsContact O-SG 3.37Å; C12-W16 WeakPolarHBondContact O-CB 3.48Å; C12-W16 PolarHBondContact O-N 3.07Å
13	S	58.4	Low	57.8	Low	58 Å²	58	114.6 Å²	114.6	41%	0.406	54%	0.538	S	S	.	.	H	α-helix	trans	-72.6	-40.1	177	45.9	0	0	0	0	112.3	L9 L10 W16 I17	L9-S13 WeakPolarHBondContact O-CB 3.4Å; L9-S13 PolarHBondContact O-N 3.06Å; L9-S13 VanDerWaalsContact O-N 3.07Å; L9-S13 PolarHBondContact O-OG 3.24Å; L10-S13 PolarHBondContact O-OG 3.36Å; S13-W16 PolarHBondContact O-N 3Å; S13-I17 WeakPolarHBondContact O-CB 3.48Å; S13-I17 WeakPolarHBondContact O-CD1 3.44Å; S13-I17 WeakPolarHBondContact O-CG1 3.29Å; S13-I17 PolarHBondContact O-N 2.99Å
14	L	60.5	Low	57.8	Low	89 Å²	89	110.8 Å²	110.8	47%	0.466	52%	0.523	S	S	.	.	H	α-helix	trans	-66.5	-41.4	172.9	-78.9	162.3	0	0	0	112.6	L10 W16 I17 L18	L10-L14 HydrophobicContact CD2-CD1 3.7Å; L10-L14 HydrophobicContact CG-CD1 3.91Å; L10-L14 VanDerWaalsContact O-CB 3.25Å; L10-L14 WeakPolarHBondContact O-CB 3.24Å; L10-L14 WeakPolarHBondContact O-CD1 3.42Å; L10-L14 WeakPolarHBondContact O-CG 3.47Å; L10-L14 PolarHBondContact O-N 2.85Å; L14-W16 PolarHBondContact O-N 3.23Å; L14-I17 PolarHBondContact O-N 3.17Å; L14-L18 WeakPolarHBondContact O-CB 3.26Å; L14-L18 PolarHBondContact O-N 3.49Å
15	S	57.9	Low	57.5	Low	55 Å²	55	107.9 Å²	107.9	39%	0.385	52%	0.516	S	S	.	.	H	α-helix	trans	-66.5	-35	177.4	-71.4	0	0	0	0	112.8	F11 F19	F11-S15 WeakPolarHBondContact O-CB 3.25Å; F11-S15 PolarHBondContact O-N 2.87Å; F11-S15 PolarHBondContact O-OG 3.26Å; S15-F19 WeakPolarHBondContact O-CB 3.44Å; S15-F19 PolarHBondContact O-N 3.13Å
16	W	59.6	Low	57.1	Low	162 Å²	162	113 Å²	113	61%	0.614	54%	0.538	S	S	*	.	H	α-helix	trans	-71.9	-40.5	176.1	-171.7	-96.2	0	0	0	112	C12 S13 L14 F19 W20	C12-W16 WeakPolarHBondContact O-CB 3.48Å; C12-W16 PolarHBondContact O-N 3.07Å; S13-W16 PolarHBondContact O-N 3Å; L14-W16 PolarHBondContact O-N 3.23Å; W16-F19 PolarHBondContact O-N 2.95Å; W16-W20 HydrophobicContact CZ2-CE3 4.35Å; W16-W20 HydrophobicContact CZ2-CZ3 4.48Å; W16-W20 WeakPolarHBondContact O-CB 3.25Å; W16-W20 PolarHBondContact O-N 2.8Å
17	I	60.6	Low	56.7	Low	99 Å²	99	115.6 Å²	115.6	51%	0.508	55%	0.545	S	S	.	.	H	α-helix	trans	-64.6	-45	175.1	-67.8	166.1	0	0	0	110.5	S13 L14 W20 E21	S13-I17 WeakPolarHBondContact O-CB 3.48Å; S13-I17 WeakPolarHBondContact O-CD1 3.44Å; S13-I17 WeakPolarHBondContact O-CG1 3.29Å; S13-I17 PolarHBondContact O-N 2.99Å; L14-I17 PolarHBondContact O-N 3.17Å; I17-W20 PolarHBondContact O-N 3.04Å; I17-E21 WeakPolarHBondContact O-CB 3.2Å; I17-E21 PolarHBondContact O-N 2.82Å
18	L	56.3	Low	56.4	Low	106 Å²	106	112.6 Å²	112.6	56%	0.555	53%	0.527	S	S	*	.	H	α-helix	trans	-64	-42.6	175.2	-100.1	140.8	0	0	0	112.4	L14 V22	L14-L18 WeakPolarHBondContact O-CB 3.26Å; L14-L18 PolarHBondContact O-N 3.49Å; L18-V22 HydrophobicContact CD2-CG2 4.36Å; L18-V22 WeakPolarHBondContact O-CB 3.46Å; L18-V22 WeakPolarHBondContact O-CG2 3.29Å; L18-V22 PolarHBondContact O-N 3.36Å
19	F	55.1	Low	56.1	Low	114 Å²	114	114 Å²	114	50%	0.5	53%	0.527	S	S	.	.	H	α-helix	trans	-67.8	-37.1	178.2	-171.1	-99.4	0	0	0	111.9	S15 W16 R23	S15-F19 WeakPolarHBondContact O-CB 3.44Å; S15-F19 PolarHBondContact O-N 3.13Å; W16-F19 PolarHBondContact O-N 2.95Å; F19-R23 WeakPolarHBondContact O-CB 3.49Å; F19-R23 PolarHBondContact O-N 2.82Å; F19-R23 VanDerWaalsContact O-N 3.09Å
20	W	55.3	Low	56.1	Low	151 Å²	151	111.9 Å²	111.9	57%	0.572	52%	0.524	S	S	*	.	H	α-helix	trans	-72.2	-46.2	177.1	-163.7	-96.7	0	0	0	111.8	W16 I17 W24	W16-W20 HydrophobicContact CZ2-CE3 4.35Å; W16-W20 HydrophobicContact CZ2-CZ3 4.48Å; W16-W20 WeakPolarHBondContact O-CB 3.25Å; W16-W20 PolarHBondContact O-N 2.8Å; I17-W20 PolarHBondContact O-N 3.04Å; W20-W24 WeakPolarHBondContact O-CB 3.32Å; W20-W24 PolarHBondContact O-N 2.65Å
21	E	51.8	Low	56.1	Low	132 Å²	132	111.5 Å²	111.5	62%	0.617	52%	0.52	S	S	*	.	H	α-helix	trans	-63.7	-47.9	175.4	-87.3	-159.4	143.8	0	0	112	I17 R23 W24 K25	I17-E21 WeakPolarHBondContact O-CB 3.2Å; I17-E21 PolarHBondContact O-N 2.82Å; E21-R23 PolarHBondContact O-N 3.24Å; E21-W24 PolarHBondContact O-N 2.92Å; E21-K25 WeakPolarHBondContact O-CB 3.38Å; E21-K25 PolarHBondContact O-N 2.77Å
22	V	52.3	Low	56.2	Low	76 Å²	76	105.7 Å²	105.7	46%	0.461	50%	0.495	S	S	.	.	H	α-helix	trans	-67.3	-40.1	-177.1	172.8	0	0	0	0	111.4	L18 K26	L18-V22 HydrophobicContact CD2-CG2 4.36Å; L18-V22 WeakPolarHBondContact O-CB 3.46Å; L18-V22 WeakPolarHBondContact O-CG2 3.29Å; L18-V22 PolarHBondContact O-N 3.36Å; V22-K26 WeakPolarHBondContact O-CB 3.43Å; V22-K26 PolarHBondContact O-N 2.95Å; V22-K26 VanDerWaalsContact O-N 3.11Å
23	R	50.4	Low	56.7	Low	170 Å²	170	108.4 Å²	108.4	64%	0.642	50%	0.5	S	S	*	.	H	α-helix	trans	-73.6	-32.8	179.5	-169.3	177.6	-177.5	136	0.6	112.5	F19 E21 R27	F19-R23 WeakPolarHBondContact O-CB 3.49Å; F19-R23 PolarHBondContact O-N 2.82Å; F19-R23 VanDerWaalsContact O-N 3.09Å; E21-R23 PolarHBondContact O-N 3.24Å; R23-R27 WeakPolarHBondContact O-CB 3.46Å
24	W	51.6	Low	57.5	Low	133 Å²	133	111.5 Å²	111.5	50%	0.504	51%	0.508	S	S	.	.	H	α-helix	trans	-78.4	-37.1	178.1	-165.5	-101.3	0	0	0	112.3	W20 E21	W20-W24 WeakPolarHBondContact O-CB 3.32Å; W20-W24 PolarHBondContact O-N 2.65Å; E21-W24 PolarHBondContact O-N 2.92Å
25	K	48	Very low	58.1	Low	137 Å²	137	109 Å²	109	60%	0.596	49%	0.492	S	S	*	.	H	α-helix	trans	-73.2	-44.5	179	-151.7	174.9	-175.2	-176.8	0	112.2	E21 R27 K28 E29	E21-K25 WeakPolarHBondContact O-CB 3.38Å; E21-K25 PolarHBondContact O-N 2.77Å; K25-R27 VanDerWaalsContact C-N 3.33Å; K25-R27 PolarHBondContact O-N 2.61Å; K25-K28 PolarHBondContact O-N 2.8Å; K25-E29 PolarHBondContact O-N 3.41Å
26	K	50	Low	58.8	Low	163 Å²	163	106.5 Å²	106.5	71%	0.709	48%	0.475	S	S	*	.	H	α-helix	trans	-64.4	-29.1	175.7	-93.9	-174.4	169.3	-178.6	0	114.7	V22 K28	V22-K26 WeakPolarHBondContact O-CB 3.43Å; V22-K26 PolarHBondContact O-N 2.95Å; V22-K26 VanDerWaalsContact O-N 3.11Å; K26-K28 VanDerWaalsContact C-N 3.32Å
27	R	52.7	Low	59.5	Low	183 Å²	183	105.5 Å²	105.5	69%	0.691	48%	0.477	S	S	*	.	H	α-helix	trans	-75.9	-21.4	178.9	-163.1	178.5	-173.4	-172.8	1.5	112.4	R23 K25 Q31	R23-R27 WeakPolarHBondContact O-CB 3.46Å; K25-R27 VanDerWaalsContact C-N 3.33Å; K25-R27 PolarHBondContact O-N 2.61Å; R27-Q31 WeakPolarHBondContact O-CG 3.29Å
28	K	54.8	Low	60.1	Low	53 Å²	53	105.6 Å²	105.6	23%	0.23	48%	0.482	C	S	.	.	H	α-helix	trans	-93.3	-42.8	-176.4	-76.2	-175.1	168.4	-159.2	0	113.7	K25 K26 G30 Q31 T53	K25-K28 PolarHBondContact O-N 2.8Å; K26-K28 VanDerWaalsContact C-N 3.32Å; K28-G30 VanDerWaalsContact C-N 3.27Å; K28-G30 PolarHBondContact O-N 2.96Å; K28-Q31 PolarHBondContact O-N 2.83Å; K28-T53 HydrophobicContact CD-CG2 4.45Å; K28-T53 VanDerWaalsContact NZ-CG2 3.25Å
29	E	53.8	Low	60.6	Low	114 Å²	114	103.5 Å²	103.5	53%	0.533	47%	0.469	S	S	.	.	H	α-helix	trans	-60.1	-38	176.7	-75.9	166.9	-177.1	0	0	111.3	K25 Q31 E33	K25-E29 PolarHBondContact O-N 3.41Å; E29-Q31 PolarHBondContact O-N 3.03Å; E29-E33 PolarHBondContact O-N 3.08Å
30	G	60.1	Low	61.2	Low	33 Å²	33	102.9 Å²	102.9	34%	0.34	48%	0.479	S	S	.	.	H	α-helix	trans	-68.7	-28.6	177.2	0	0	0	0	0	115.2	K28 E34	K28-G30 VanDerWaalsContact C-N 3.27Å; K28-G30 PolarHBondContact O-N 2.96Å; G30-E34 WeakPolarHBondContact O-CB 3.41Å; G30-E34 PolarHBondContact O-N 3.24Å
31	Q	66.1	Low	61.9	Low	91 Å²	91	96.3 Å²	96.3	43%	0.425	46%	0.455	S	S	.	.	H	α-helix	trans	-76.7	-34.3	-177.1	-77.7	-175.6	-28.8	0	0	113.1	R27 K28 E29 W35 L54	R27-Q31 WeakPolarHBondContact O-CG 3.29Å; K28-Q31 PolarHBondContact O-N 2.83Å; E29-Q31 PolarHBondContact O-N 3.03Å; Q31-W35 VanDerWaalsContact O-CB 3.3Å; Q31-W35 WeakPolarHBondContact O-CB 3.29Å; Q31-W35 PolarHBondContact O-N 3.22Å; Q31-L54 HydrophobicContact CB-CD1 3.81Å
32	I	68.2	Low	62.8	Low	22 Å²	22	92.8 Å²	92.8	11%	0.113	45%	0.445	C	S	.	.	H	α-helix	trans	-74	-43.4	176.1	-63.1	174.6	0	0	0	109.6	W35 L36 L54	I32-W35 PolarHBondContact O-N 2.88Å; I32-L36 HydrophobicContact CG2-CD1 3.98Å; I32-L36 HydrophobicContact CG2-CG 4.4Å; I32-L36 WeakPolarHBondContact O-CB 3.34Å; I32-L36 VanDerWaalsContact O-CG 3.26Å; I32-L36 WeakPolarHBondContact O-CG 3.31Å; I32-L36 PolarHBondContact O-N 3.45Å; I32-L54 HydrophobicContact CG1-CG 4.25Å
33	E	68.2	Low	63.4	Low	135 Å²	135	95.4 Å²	95.4	63%	0.631	45%	0.452	S	S	*	.	H	α-helix	trans	-61.4	-44.4	174.7	-76.7	-175.8	160.5	0	0	112.3	E29 L36 Q37	E29-E33 PolarHBondContact O-N 3.08Å; E33-L36 PolarHBondContact O-N 3.05Å; E33-Q37 VanDerWaalsContact O-CB 3.31Å; E33-Q37 WeakPolarHBondContact O-CB 3.49Å; E33-Q37 PolarHBondContact O-N 3.04Å
34	E	73.4	Confident	64.1	Low	123 Å²	123	89 Å²	89	58%	0.575	43%	0.428	S	S	*	.	H	α-helix	trans	-64.3	-41.3	177.2	-172	174.3	-159.5	0	0	111.4	G30 Q37 V38	G30-E34 WeakPolarHBondContact O-CB 3.41Å; G30-E34 PolarHBondContact O-N 3.24Å; E34-Q37 PolarHBondContact O-N 2.98Å; E34-V38 WeakPolarHBondContact O-CB 3.17Å; E34-V38 WeakPolarHBondContact O-CG2 2.99Å; E34-V38 PolarHBondContact O-N 2.91Å
35	W	73.6	Confident	64.9	Low	36 Å²	36	85.5 Å²	85.5	14%	0.136	42%	0.424	C	S	.	.	H	α-helix	trans	-64.7	-46	175.7	-176.6	83	0	0	0	112.5	Q31 I32 Q37 V38 H39 L41 L54 L57 A81 L85	Q31-W35 VanDerWaalsContact O-CB 3.3Å; Q31-W35 WeakPolarHBondContact O-CB 3.29Å; Q31-W35 PolarHBondContact O-N 3.22Å; I32-W35 PolarHBondContact O-N 2.88Å; W35-Q37 VanDerWaalsContact C-N 3.26Å; W35-Q37 PolarHBondContact O-N 3.19Å; W35-V38 PolarHBondContact O-N 3.17Å; W35-H39 AromaticContact CE2-CD2 3.47Å; W35-H39 VanDerWaalsContact CE2-CD2 3.47Å; W35-H39 AromaticContact CE2-NE2 3.98Å; W35-H39 AromaticContact CZ2-CD2 3.54Å; W35-H39 AromaticContact NE1-CD2 3.44Å; W35-H39 PolarHBondContact NE1-CD2 2.81Å; W35-H39 AromaticContact NE1-NE2 3.46Å; W35-H39 PolarHBondContact NE1-NE2 3.4Å; W35-H39 PolarHBondContact O-N 3.07Å; W35-L41 HydrophobicContact CH2-CD1 4.3Å; W35-L41 HydrophobicContact CZ3-CD1 4.28Å; W35-L54 HydrophobicContact CB-CD2 3.89Å; W35-L54 HydrophobicContact CD2-CD2 4.27Å; W35-L54 HydrophobicContact CG-CD2 3.81Å; W35-L57 HydrophobicContact CD2-CD2 4.28Å; W35-L57 HydrophobicContact CE3-CD2 3.61Å; W35-L57 HydrophobicContact CH2-CD2 4.33Å; W35-L57 HydrophobicContact CZ3-CD2 3.65Å; W35-A81 HydrophobicContact CH2-CB 4.48Å; W35-A81 HydrophobicContact CZ2-CB 4.41Å; W35-L85 HydrophobicContact CD2-CD2 4.34Å; W35-L85 HydrophobicContact CH2-CD2 4.32Å; W35-L85 HydrophobicContact CZ2-CB 3.95Å; W35-L85 HydrophobicContact CZ2-CD2 3.71Å; W35-L85 HydrophobicContact CZ2-CG 4.3Å
36	L	72.1	Confident	65.8	Low	4 Å²	4	84.2 Å²	84.2	2%	0.021	42%	0.42	C	S	.	.	H	α-helix	trans	-60.3	-38.5	175.9	-72.6	171	0	0	0	111.1	I32 E33 S40 L41 S42 F48	I32-L36 HydrophobicContact CG2-CD1 3.98Å; I32-L36 HydrophobicContact CG2-CG 4.4Å; I32-L36 WeakPolarHBondContact O-CB 3.34Å; I32-L36 VanDerWaalsContact O-CG 3.26Å; I32-L36 WeakPolarHBondContact O-CG 3.31Å; I32-L36 PolarHBondContact O-N 3.45Å; E33-L36 PolarHBondContact O-N 3.05Å; L36-S40 PolarHBondContact O-N 2.81Å; L36-L41 HydrophobicContact CD2-CB 3.81Å; L36-L41 PolarHBondContact O-N 3.01Å; L36-S42 PolarHBondContact O-N 2.96Å; L36-F48 HydrophobicContact CD1-CD2 4.35Å; L36-F48 HydrophobicContact CD2-CD2 4.17Å; L36-F48 HydrophobicContact CD2-CE2 4.02Å
37	Q	74.5	Confident	66.4	Low	140 Å²	140	78.2 Å²	78.2	65%	0.654	40%	0.395	S	S	*	.	H	α-helix	trans	-68.9	-43.4	177.1	-170.2	177.7	5.1	0	0	112.7	E33 E34 W35 H39 S40 S42	E33-Q37 VanDerWaalsContact O-CB 3.31Å; E33-Q37 WeakPolarHBondContact O-CB 3.49Å; E33-Q37 PolarHBondContact O-N 3.04Å; E34-Q37 PolarHBondContact O-N 2.98Å; W35-Q37 VanDerWaalsContact C-N 3.26Å; W35-Q37 PolarHBondContact O-N 3.19Å; Q37-H39 PolarHBondContact O-N 2.94Å; Q37-S40 PolarHBondContact O-N 3.5Å; Q37-S42 WeakPolarHBondContact CA-OG 3.4Å
38	V	74	Confident	67	Low	102 Å²	102	70.3 Å²	70.3	62%	0.618	37%	0.366	S	S	*	.	H	α-helix	trans	-64.8	-22.3	178.8	170.7	0	0	0	0	112.2	E34 W35	E34-V38 WeakPolarHBondContact O-CB 3.17Å; E34-V38 WeakPolarHBondContact O-CG2 2.99Å; E34-V38 PolarHBondContact O-N 2.91Å; W35-V38 PolarHBondContact O-N 3.17Å
39	H	66.8	Low	67.5	Low	62 Å²	62	75.2 Å²	75.2	29%	0.287	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	12.4	177.8	-66.7	-7.8	0	0	0	113.7	W35 Q37 L41 A81	W35-H39 AromaticContact CE2-CD2 3.47Å; W35-H39 VanDerWaalsContact CE2-CD2 3.47Å; W35-H39 AromaticContact CE2-NE2 3.98Å; W35-H39 AromaticContact CZ2-CD2 3.54Å; W35-H39 AromaticContact NE1-CD2 3.44Å; W35-H39 PolarHBondContact NE1-CD2 2.81Å; W35-H39 AromaticContact NE1-NE2 3.46Å; W35-H39 PolarHBondContact NE1-NE2 3.4Å; W35-H39 PolarHBondContact O-N 3.07Å; Q37-H39 PolarHBondContact O-N 2.94Å; H39-L41 HydrophobicContact CB-CD1 4.34Å; H39-L41 HydrophobicContact CB-CG 4.28Å; H39-L41 WeakPolarHBondContact O-CG 3.14Å; H39-L41 PolarHBondContact O-N 2.99Å; H39-A81 HydrophobicContact CB-CB 4.42Å
40	S	67.8	Low	67.8	Low	100 Å²	100	75 Å²	75	70%	0.699	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	27.3	178.5	-54.3	0	0	0	0	114.3	L36 Q37	L36-S40 PolarHBondContact O-N 2.81Å; Q37-S40 PolarHBondContact O-N 3.5Å
41	L	68.9	Low	68.1	Low	13 Å²	13	74.2 Å²	74.2	7%	0.068	38%	0.381	C	S	.	.			trans	-103	9.4	-177.9	-60.4	-177.8	0	0	0	113.5	W35 L36 H39 Q43 Y44 I78 A81	W35-L41 HydrophobicContact CH2-CD1 4.3Å; W35-L41 HydrophobicContact CZ3-CD1 4.28Å; L36-L41 HydrophobicContact CD2-CB 3.81Å; L36-L41 PolarHBondContact O-N 3.01Å; H39-L41 HydrophobicContact CB-CD1 4.34Å; H39-L41 HydrophobicContact CB-CG 4.28Å; H39-L41 WeakPolarHBondContact O-CG 3.14Å; H39-L41 PolarHBondContact O-N 2.99Å; L41-Q43 PolarHBondContact O-N 3.03Å; L41-Y44 HydrophobicContact CB-CD2 4.48Å; L41-Y44 HydrophobicContact CD2-CD2 4.24Å; L41-Y44 HydrophobicContact CD2-CE2 4.39Å; L41-Y44 PolarHBondContact O-N 3.15Å; L41-I78 HydrophobicContact CD1-CG1 4.29Å; L41-I78 HydrophobicContact CD2-CD1 4.29Å; L41-I78 HydrophobicContact CD2-CG1 3.54Å; L41-A81 HydrophobicContact CD1-CB 4.33Å
42	S	70.9	Confident	67.9	Low	58 Å²	58	76.2 Å²	76.2	41%	0.406	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-54.6	-30.3	-175	-37.6	0	0	0	0	114	L36 Q37 Y44 S45	L36-S42 PolarHBondContact O-N 2.96Å; Q37-S42 WeakPolarHBondContact CA-OG 3.4Å; S42-Y44 PolarHBondContact O-N 2.98Å; S42-S45 WeakPolarHBondContact O-CB 3.36Å; S42-S45 PolarHBondContact O-N 3.39Å; S42-S45 PolarHBondContact O-OG 3.24Å
43	Q	64.8	Low	67.9	Low	132 Å²	132	76.4 Å²	76.4	62%	0.617	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-67.1	-17.3	178.7	66.3	-174.2	-4.1	0	0	114.1	L41	L41-Q43 PolarHBondContact O-N 3.03Å
44	Y	66.6	Low	67.9	Low	34 Å²	34	71.1 Å²	71.1	13%	0.133	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-101.6	10.3	179.5	-56.1	-69.1	0	0	0	113	L41 S42 H46 L47 F48 I78	L41-Y44 HydrophobicContact CB-CD2 4.48Å; L41-Y44 HydrophobicContact CD2-CD2 4.24Å; L41-Y44 HydrophobicContact CD2-CE2 4.39Å; L41-Y44 PolarHBondContact O-N 3.15Å; S42-Y44 PolarHBondContact O-N 2.98Å; Y44-H46 PolarHBondContact O-N 2.86Å; Y44-H46 VanDerWaalsContact O-N 3.12Å; Y44-L47 HydrophobicContact CD1-CD1 4.34Å; Y44-L47 WeakPolarHBondContact O-CB 3.48Å; Y44-L47 PolarHBondContact O-N 2.87Å; Y44-F48 VanDerWaalsContact O-CD2 3.31Å; Y44-F48 WeakPolarHBondContact O-CD2 3.36Å; Y44-F48 WeakPolarHBondContact O-CE2 3.48Å; Y44-I78 HydrophobicContact CD2-CD1 4.22Å; Y44-I78 HydrophobicContact CE2-CD1 3.95Å
45	S	67.6	Low	67.8	Low	61 Å²	61	66.4 Å²	66.4	43%	0.427	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-52.4	-36.1	-178.3	58.5	0	0	0	0	113.5	S42 L47 F48	S42-S45 WeakPolarHBondContact O-CB 3.36Å; S42-S45 PolarHBondContact O-N 3.39Å; S42-S45 PolarHBondContact O-OG 3.24Å; S45-L47 PolarHBondContact O-N 3.25Å; S45-L47 VanDerWaalsContact O-N 3.16Å; S45-F48 PolarHBondContact O-N 3.02Å
46	H	66.1	Low	67.5	Low	109 Å²	109	67.6 Å²	67.6	51%	0.505	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-58.5	-25.1	177.9	72	-82.8	0	0	0	114.1	Y44 F48	Y44-H46 PolarHBondContact O-N 2.86Å; Y44-H46 VanDerWaalsContact O-N 3.12Å; H46-F48 PolarHBondContact O-N 2.73Å
47	L	63.6	Low	67.5	Low	37 Å²	37	67.6 Å²	67.6	19%	0.194	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-76.1	-11	178.2	-62.2	177.2	0	0	0	113.1	Y44 S45 L65 V68	Y44-L47 HydrophobicContact CD1-CD1 4.34Å; Y44-L47 WeakPolarHBondContact O-CB 3.48Å; Y44-L47 PolarHBondContact O-N 2.87Å; S45-L47 PolarHBondContact O-N 3.25Å; S45-L47 VanDerWaalsContact O-N 3.16Å; L47-L65 HydrophobicContact CD1-CD2 3.72Å; L47-V68 HydrophobicContact CD1-CG1 4.17Å; L47-V68 HydrophobicContact CD2-CG1 4.15Å; L47-V68 HydrophobicContact CD2-CG2 4.37Å
48	F	66.1	Low	67.2	Low	18 Å²	18	61 Å²	61	8%	0.079	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-119.6	13.3	-173	-51	-70.9	0	0	0	113.1	L36 Y44 S45 H46 D50 V51 L57 A61 L65	L36-F48 HydrophobicContact CD1-CD2 4.35Å; L36-F48 HydrophobicContact CD2-CD2 4.17Å; L36-F48 HydrophobicContact CD2-CE2 4.02Å; Y44-F48 VanDerWaalsContact O-CD2 3.31Å; Y44-F48 WeakPolarHBondContact O-CD2 3.36Å; Y44-F48 WeakPolarHBondContact O-CE2 3.48Å; S45-F48 PolarHBondContact O-N 3.02Å; H46-F48 PolarHBondContact O-N 2.73Å; F48-D50 PolarHBondContact O-N 3.23Å; F48-D50 VanDerWaalsContact O-N 3.17Å; F48-V51 HydrophobicContact CB-CG2 4.39Å; F48-V51 WeakPolarHBondContact O-CB 3.49Å; F48-V51 PolarHBondContact O-N 3.43Å; F48-L57 HydrophobicContact CB-CD1 3.94Å; F48-L57 HydrophobicContact CD1-CD1 3.28Å; F48-L57 HydrophobicContact CD2-CD1 4.42Å; F48-L57 HydrophobicContact CE1-CD1 3.8Å; F48-L57 HydrophobicContact CG-CD1 3.62Å; F48-A61 HydrophobicContact CE1-CB 3.94Å; F48-L65 HydrophobicContact CE1-CD1 4.07Å; F48-L65 HydrophobicContact CE1-CG 4.42Å; F48-L65 HydrophobicContact CZ-CD1 3.86Å; F48-L65 HydrophobicContact CZ-CD2 4.03Å; F48-L65 HydrophobicContact CZ-CG 4.24Å
49	E	64.1	Low	67	Low	156 Å²	156	58.8 Å²	58.8	73%	0.729	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-28.5	-179.6	-73.2	-177.3	-178.6	0	0	113.3	V51	E49-V51 VanDerWaalsContact C-N 3.35Å
50	D	59.5	Low	66.9	Low	109 Å²	109	57.5 Å²	57.5	58%	0.583	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-9.2	179.6	-41.4	-26.4	0	0	0	113.7	F48 R64	F48-D50 PolarHBondContact O-N 3.23Å; F48-D50 VanDerWaalsContact O-N 3.17Å; D50-R64 IonicContact OD2-CZ 2.77Å; D50-R64 VanDerWaalsContact OD2-CZ 3.29Å; D50-R64 IonicContact OD2-NH1 3.7Å; D50-R64 PolarHBondContact OD2-NH1 3.44Å; D50-R64 IonicContact OD2-NH2 3.66Å; D50-R64 PolarHBondContact OD2-NH2 3.43Å
51	V	66.6	Low	66.5	Low	16 Å²	16	53 Å²	53	10%	0.097	27%	0.274	C	S	.	.			trans	-92.9	122.4	-170.7	-179.7	0	0	0	0	109.9	F48 E49 T53 E56 L57	F48-V51 HydrophobicContact CB-CG2 4.39Å; F48-V51 WeakPolarHBondContact O-CB 3.49Å; F48-V51 PolarHBondContact O-N 3.43Å; E49-V51 VanDerWaalsContact C-N 3.35Å; V51-T53 VanDerWaalsContact CG1-O 3.31Å; V51-T53 WeakPolarHBondContact CG1-O 3.4Å; V51-E56 HydrophobicContact CG1-CB 3.81Å; V51-L57 HydrophobicContact CG1-CB 3.88Å; V51-L57 HydrophobicContact CG1-CD1 4.14Å
52	Q	62.1	Low	66	Low	133 Å²	133	55 Å²	55	62%	0.621	29%	0.285	S	S	*	.			trans	-99.1	-11	-171.8	-60.9	-170.4	-1.6	0	0	113.9	E56	Q52-E56 PolarHBondContact N-OE2 3.38Å
53	T	69.3	Low	65.5	Low	26 Å²	26	56 Å²	56	16%	0.16	29%	0.292	C	S	.	.	S	Bend	trans	-145.8	153.4	-178	54.9	0	0	0	0	112.8	K28 V51 E55 E56 L57	K28-T53 HydrophobicContact CD-CG2 4.45Å; K28-T53 VanDerWaalsContact NZ-CG2 3.25Å; V51-T53 VanDerWaalsContact CG1-O 3.31Å; V51-T53 WeakPolarHBondContact CG1-O 3.4Å; T53-E55 WeakPolarHBondContact CB-OE2 3.31Å; T53-E55 PolarHBondContact O-N 3.01Å; T53-E56 PolarHBondContact N-OE2 2.95Å; T53-E56 PolarHBondContact O-N 3.02Å; T53-E56 WeakPolarHBondContact OG1-CB 3.34Å; T53-E56 VanDerWaalsContact OG1-CD 3.25Å; T53-E56 WeakPolarHBondContact OG1-CG 3.39Å; T53-E56 PolarHBondContact OG1-N 3.36Å; T53-E56 PolarHBondContact OG1-OE2 3.4Å; T53-L57 PolarHBondContact O-N 3.44Å
54	L	67.8	Low	65.2	Low	25 Å²	25	55.2 Å²	55.2	13%	0.131	28%	0.283	C	S	.	.	H	α-helix	trans	-63	-29.7	175.1	-89.3	155.4	0	0	0	112.2	Q31 I32 W35 L57 S58 L85 F89	Q31-L54 HydrophobicContact CB-CD1 3.81Å; I32-L54 HydrophobicContact CG1-CG 4.25Å; W35-L54 HydrophobicContact CB-CD2 3.89Å; W35-L54 HydrophobicContact CD2-CD2 4.27Å; W35-L54 HydrophobicContact CG-CD2 3.81Å; L54-L57 HydrophobicContact CD2-CD2 4.1Å; L54-L57 WeakPolarHBondContact O-CB 3.42Å; L54-L57 PolarHBondContact O-N 3Å; L54-S58 PolarHBondContact O-N 3.31Å; L54-S58 PolarHBondContact O-OG 3.24Å; L54-L85 HydrophobicContact CD2-CD1 4.42Å; L54-L85 HydrophobicContact CD2-CD2 4.06Å; L54-F89 HydrophobicContact CB-CE2 4.07Å; L54-F89 HydrophobicContact CB-CZ 3.84Å
55	E	71.4	Confident	64.7	Low	23 Å²	23	53.9 Å²	53.9	11%	0.107	28%	0.278	C	S	.	.	H	α-helix	trans	-68.6	-45.4	174.9	-62.5	89.1	157.4	0	0	111.4	T53 L57 S58 L59 L168 A169 R172	T53-E55 WeakPolarHBondContact CB-OE2 3.31Å; T53-E55 PolarHBondContact O-N 3.01Å; E55-L57 VanDerWaalsContact C-N 3.31Å; E55-L57 PolarHBondContact O-N 3.41Å; E55-S58 PolarHBondContact O-N 3.38Å; E55-S58 PolarHBondContact O-OG 3.39Å; E55-L59 WeakPolarHBondContact O-CG 3.33Å; E55-L59 PolarHBondContact O-N 2.95Å; E55-L59 VanDerWaalsContact O-N 3.11Å; E55-L168 HydrophobicContact CG-CD2 3.55Å; E55-A169 HydrophobicContact CB-CB 4.22Å; E55-R172 IonicContact OE1-CZ 2.97Å; E55-R172 IonicContact OE1-NH1 2.76Å; E55-R172 PolarHBondContact OE1-NH1 3.33Å
56	E	67.4	Low	64.3	Low	62 Å²	62	56.7 Å²	56.7	29%	0.29	28%	0.284	S	S	.	.	H	α-helix	trans	-60.5	-41.8	170.7	-77.3	166	175.1	0	0	110.9	V51 Q52 T53 S58 L59 S60	V51-E56 HydrophobicContact CG1-CB 3.81Å; Q52-E56 PolarHBondContact N-OE2 3.38Å; T53-E56 PolarHBondContact N-OE2 2.95Å; T53-E56 PolarHBondContact O-N 3.02Å; T53-E56 WeakPolarHBondContact OG1-CB 3.34Å; T53-E56 VanDerWaalsContact OG1-CD 3.25Å; T53-E56 WeakPolarHBondContact OG1-CG 3.39Å; T53-E56 PolarHBondContact OG1-N 3.36Å; T53-E56 PolarHBondContact OG1-OE2 3.4Å; E56-S58 VanDerWaalsContact C-N 3.32Å; E56-S58 PolarHBondContact O-N 3.49Å; E56-L59 PolarHBondContact O-N 3.22Å; E56-S60 WeakPolarHBondContact O-CB 3.35Å; E56-S60 PolarHBondContact O-N 3.05Å; E56-S60 PolarHBondContact O-OG 3.45Å
57	L	70.6	Confident	63.8	Low	3 Å²	3	59.7 Å²	59.7	2%	0.016	30%	0.299	C	S	.	.	H	α-helix	trans	-56.3	-45.8	174.6	-167.7	81.2	0	0	0	111.4	W35 F48 V51 T53 L54 E55 L59 A61 L85	W35-L57 HydrophobicContact CD2-CD2 4.28Å; W35-L57 HydrophobicContact CE3-CD2 3.61Å; W35-L57 HydrophobicContact CH2-CD2 4.33Å; W35-L57 HydrophobicContact CZ3-CD2 3.65Å; F48-L57 HydrophobicContact CB-CD1 3.94Å; F48-L57 HydrophobicContact CD1-CD1 3.28Å; F48-L57 HydrophobicContact CD2-CD1 4.42Å; F48-L57 HydrophobicContact CE1-CD1 3.8Å; F48-L57 HydrophobicContact CG-CD1 3.62Å; V51-L57 HydrophobicContact CG1-CB 3.88Å; V51-L57 HydrophobicContact CG1-CD1 4.14Å; T53-L57 PolarHBondContact O-N 3.44Å; L54-L57 HydrophobicContact CD2-CD2 4.1Å; L54-L57 WeakPolarHBondContact O-CB 3.42Å; L54-L57 PolarHBondContact O-N 3Å; E55-L57 VanDerWaalsContact C-N 3.31Å; E55-L57 PolarHBondContact O-N 3.41Å; L57-L59 VanDerWaalsContact C-N 3.27Å; L57-L59 PolarHBondContact O-N 3.14Å; L57-A61 WeakPolarHBondContact O-CB 3.37Å; L57-A61 PolarHBondContact O-N 2.87Å; L57-L85 HydrophobicContact CD2-CD2 4.24Å
58	S	70.2	Confident	63.5	Low	1 Å²	1	62.1 Å²	62.1	1%	0.007	32%	0.315	C	S	.	.	H	α-helix	trans	-69.4	-18	177.2	69.9	0	0	0	0	114.5	L54 E55 E56 H82 L86 V165	L54-S58 PolarHBondContact O-N 3.31Å; L54-S58 PolarHBondContact O-OG 3.24Å; E55-S58 PolarHBondContact O-N 3.38Å; E55-S58 PolarHBondContact O-OG 3.39Å; E56-S58 VanDerWaalsContact C-N 3.32Å; E56-S58 PolarHBondContact O-N 3.49Å; S58-H82 PolarHBondContact O-CE1 3.31Å; S58-H82 PolarHBondContact O-NE2 2.86Å; S58-L86 WeakPolarHBondContact O-CD1 3.25Å; S58-V165 WeakPolarHBondContact OG-CG1 3.29Å
59	L	68.2	Low	63.2	Low	56 Å²	56	62.3 Å²	62.3	29%	0.293	32%	0.317	S	S	.	.	H	α-helix	trans	-101.4	-30.5	-179.7	-71.3	170.5	0	0	0	113.5	E55 E56 L57 I162 V165 R166 A169	E55-L59 WeakPolarHBondContact O-CG 3.33Å; E55-L59 PolarHBondContact O-N 2.95Å; E55-L59 VanDerWaalsContact O-N 3.11Å; E56-L59 PolarHBondContact O-N 3.22Å; L57-L59 VanDerWaalsContact C-N 3.27Å; L57-L59 PolarHBondContact O-N 3.14Å; L59-I162 HydrophobicContact CD2-CG2 3.94Å; L59-V165 HydrophobicContact CD1-CG1 4.11Å; L59-V165 HydrophobicContact CD2-CB 4.16Å; L59-V165 HydrophobicContact CD2-CG1 4.01Å; L59-V165 HydrophobicContact CG-CG1 3.88Å; L59-R166 HydrophobicContact CD1-CB 4.37Å; L59-A169 HydrophobicContact CD1-CB 4.22Å
60	S	64.3	Low	62.7	Low	36 Å²	36	63.5 Å²	63.5	25%	0.252	32%	0.32	S	S	.	.	H	α-helix	trans	-109.2	-6.8	-171.8	73.7	0	0	0	0	115.1	E56	E56-S60 WeakPolarHBondContact O-CB 3.35Å; E56-S60 PolarHBondContact O-N 3.05Å; E56-S60 PolarHBondContact O-OG 3.45Å
61	A	60.9	Low	62.4	Low	4 Å²	4	67.4 Å²	67.4	3%	0.033	34%	0.335	C	S	.	.	H	α-helix	trans	-74	-38.3	-174.9	0	0	0	0	0	114	F48 L57 S63 R64 L65	F48-A61 HydrophobicContact CE1-CB 3.94Å; L57-A61 WeakPolarHBondContact O-CB 3.37Å; L57-A61 PolarHBondContact O-N 2.87Å; A61-S63 PolarHBondContact O-N 3.48Å; A61-R64 PolarHBondContact O-N 2.97Å; A61-L65 HydrophobicContact CB-CD1 3.88Å; A61-L65 WeakPolarHBondContact O-CB 3.38Å; A61-L65 VanDerWaalsContact O-CD1 3.3Å; A61-L65 WeakPolarHBondContact O-CD1 3.46Å; A61-L65 WeakPolarHBondContact O-CG 3.46Å; A61-L65 PolarHBondContact O-N 2.97Å
62	L	58.2	Low	61.9	Low	57 Å²	57	72.8 Å²	72.8	30%	0.298	36%	0.359	S	S	.	.	H	α-helix	trans	-58.7	-46	-175.9	-91.7	164.7	0	0	0	112.8	R64 E66 W75 H82	L62-R64 PolarHBondContact O-N 3.47Å; L62-E66 WeakPolarHBondContact O-CB 3.3Å; L62-E66 PolarHBondContact O-N 2.92Å; L62-W75 HydrophobicContact CD2-CH2 4.4Å; L62-H82 VanDerWaalsContact CD1-CD2 3.45Å; L62-H82 WeakPolarHBondContact CD1-CD2 3.36Å; L62-H82 WeakPolarHBondContact CD1-NE2 3.46Å; L62-H82 WeakPolarHBondContact CG-NE2 3.47Å
63	S	59.6	Low	61.6	Low	79 Å²	79	75.4 Å²	75.4	55%	0.552	37%	0.371	S	S	*	.	H	α-helix	trans	-72.7	-28.2	-177.2	59.3	0	0	0	0	113.7	A61	A61-S63 PolarHBondContact O-N 3.48Å
64	R	59.3	Low	61.1	Low	114 Å²	114	78.3 Å²	78.3	43%	0.43	38%	0.383	S	S	.	.	H	α-helix	trans	-84.3	-31.1	179.7	-74.4	-179.9	162.9	-153.2	-6.3	112.6	D50 A61 L62 V68	D50-R64 IonicContact OD2-CZ 2.77Å; D50-R64 VanDerWaalsContact OD2-CZ 3.29Å; D50-R64 IonicContact OD2-NH1 3.7Å; D50-R64 PolarHBondContact OD2-NH1 3.44Å; D50-R64 IonicContact OD2-NH2 3.66Å; D50-R64 PolarHBondContact OD2-NH2 3.43Å; A61-R64 PolarHBondContact O-N 2.97Å; L62-R64 PolarHBondContact O-N 3.47Å; R64-V68 WeakPolarHBondContact O-CG2 3.43Å
65	L	56.1	Low	60.9	Low	7 Å²	7	80.9 Å²	80.9	4%	0.037	39%	0.391	C	S	.	.	H	α-helix	trans	-82.9	-28.9	-179.9	-71	155.1	0	0	0	113.2	L47 F48 A61 E67 V68 V69 W75 I78	L47-L65 HydrophobicContact CD1-CD2 3.72Å; F48-L65 HydrophobicContact CE1-CD1 4.07Å; F48-L65 HydrophobicContact CE1-CG 4.42Å; F48-L65 HydrophobicContact CZ-CD1 3.86Å; F48-L65 HydrophobicContact CZ-CD2 4.03Å; F48-L65 HydrophobicContact CZ-CG 4.24Å; A61-L65 HydrophobicContact CB-CD1 3.88Å; A61-L65 WeakPolarHBondContact O-CB 3.38Å; A61-L65 VanDerWaalsContact O-CD1 3.3Å; A61-L65 WeakPolarHBondContact O-CD1 3.46Å; A61-L65 WeakPolarHBondContact O-CG 3.46Å; A61-L65 PolarHBondContact O-N 2.97Å; L65-E67 VanDerWaalsContact C-N 3.26Å; L65-E67 PolarHBondContact O-N 3.03Å; L65-V68 PolarHBondContact O-N 2.6Å; L65-V69 PolarHBondContact O-N 3.23Å; L65-W75 HydrophobicContact CB-CH2 4.39Å; L65-W75 HydrophobicContact CB-CZ3 3.72Å; L65-I78 HydrophobicContact CD1-CG2 3.83Å
66	E	58.2	Low	60.6	Low	120 Å²	120	89.7 Å²	89.7	56%	0.561	42%	0.423	S	S	*	.	H	α-helix	trans	-66	-26.7	178.7	-166.2	174	-162.6	0	0	112.9	L62 W75	L62-E66 WeakPolarHBondContact O-CB 3.3Å; L62-E66 PolarHBondContact O-N 2.92Å; E66-W75 HydrophobicContact CB-CH2 4.1Å
67	E	56.8	Low	60.6	Low	172 Å²	172	92.2 Å²	92.2	80%	0.804	44%	0.435	S	S	*	.	H	α-helix	trans	-79.9	-28.7	172.9	-75.2	-168.3	154	0	0	113.4	L65	L65-E67 VanDerWaalsContact C-N 3.26Å; L65-E67 PolarHBondContact O-N 3.03Å
68	V	56.6	Low	60.4	Low	88 Å²	88	92.6 Å²	92.6	53%	0.533	44%	0.437	S	S	.	.	H	α-helix	trans	-94.7	-30.9	-171.1	178.3	0	0	0	0	112.9	L47 R64 L65	L47-V68 HydrophobicContact CD1-CG1 4.17Å; L47-V68 HydrophobicContact CD2-CG1 4.15Å; L47-V68 HydrophobicContact CD2-CG2 4.37Å; R64-V68 WeakPolarHBondContact O-CG2 3.43Å; L65-V68 PolarHBondContact O-N 2.6Å
69	V	60.8	Low	60.3	Low	21 Å²	21	93.5 Å²	93.5	13%	0.127	44%	0.444	C	S	.	.			trans	-119.9	63.9	-170.7	-168.2	0	0	0	0	110.7	L65 W75	L65-V69 PolarHBondContact O-N 3.23Å; V69-W75 HydrophobicContact CB-CE3 4.38Å
70	K	53.1	Low	60.5	Low	182 Å²	182	97.5 Å²	97.5	79%	0.791	46%	0.461	S	S	*	.	S	Bend	trans	-88.4	-7.6	176.8	-115.3	175.6	-176.8	170.8	0	115.1
71	E	52.8	Low	60.7	Low	190 Å²	190	96.4 Å²	96.4	89%	0.888	45%	0.454	S	S	*	.	S	Bend	trans	-130.1	14	-168.3	-73.9	-169.4	160.3	0	0	117.2
72	Q	55.9	Low	61.3	Low	130 Å²	130	96.7 Å²	96.7	61%	0.607	46%	0.455	S	S	*	.			trans	-132.3	146.7	178.4	-76	-166.8	-8.9	0	0	116.4	H74 W75	Q72-H74 PolarHBondContact O-N 2.76Å; Q72-W75 PolarHBondContact O-N 3.12Å
73	Q	55.3	Low	62.1	Low	188 Å²	188	96.7 Å²	96.7	88%	0.879	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-10.9	180	-108	169.1	-26.2	0	0	116.1
74	H	58.9	Low	62.9	Low	86 Å²	86	99.1 Å²	99.1	40%	0.398	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-3.1	-175.2	-65.9	81.2	0	0	0	114.4	Q72 R76 E77 I78	Q72-H74 PolarHBondContact O-N 2.76Å; H74-R76 PolarHBondContact O-N 3.1Å; H74-E77 IonicContact CD2-OE2 2.73Å; H74-E77 PolarHBondContact CD2-OE2 3.27Å; H74-E77 PolarHBondContact O-N 3.25Å; H74-I78 PolarHBondContact O-N 3.05Å
75	W	64	Low	63.7	Low	80 Å²	80	94.5 Å²	94.5	30%	0.303	44%	0.439	S	S	.	.	H	α-helix	trans	-54.5	-37.9	174.7	169.9	-112.1	0	0	0	112.7	L62 L65 E66 V69 Q72 E77 I78 A79	L62-W75 HydrophobicContact CD2-CH2 4.4Å; L65-W75 HydrophobicContact CB-CH2 4.39Å; L65-W75 HydrophobicContact CB-CZ3 3.72Å; E66-W75 HydrophobicContact CB-CH2 4.1Å; V69-W75 HydrophobicContact CB-CE3 4.38Å; Q72-W75 PolarHBondContact O-N 3.12Å; W75-E77 VanDerWaalsContact C-N 3.32Å; W75-E77 PolarHBondContact O-N 3.11Å; W75-I78 PolarHBondContact O-N 3.45Å; W75-A79 WeakPolarHBondContact O-CB 3.43Å; W75-A79 PolarHBondContact O-N 2.9Å
76	R	66.1	Low	64.8	Low	207 Å²	207	94.2 Å²	94.2	78%	0.781	44%	0.438	S	S	*	.	H	α-helix	trans	-64.2	-38	-176.5	-146.6	175.5	-171.5	173.9	1.5	112	H74 E80	H74-R76 PolarHBondContact O-N 3.1Å; R76-E80 VanDerWaalsContact O-CB 3.31Å; R76-E80 WeakPolarHBondContact O-CB 3.37Å; R76-E80 PolarHBondContact O-N 3.3Å
77	E	67.1	Low	66	Low	116 Å²	116	92.5 Å²	92.5	54%	0.542	43%	0.426	S	S	.	.	H	α-helix	trans	-71.7	-39.7	179.5	-62.8	177.7	176.9	0	0	111.4	H74 W75 E80 A81	H74-E77 IonicContact CD2-OE2 2.73Å; H74-E77 PolarHBondContact CD2-OE2 3.27Å; H74-E77 PolarHBondContact O-N 3.25Å; W75-E77 VanDerWaalsContact C-N 3.32Å; W75-E77 PolarHBondContact O-N 3.11Å; E77-E80 PolarHBondContact O-N 2.94Å; E77-A81 WeakPolarHBondContact O-CB 3.45Å; E77-A81 PolarHBondContact O-N 3.36Å
78	I	66.2	Low	67.2	Low	10 Å²	10	86.2 Å²	86.2	5%	0.051	40%	0.398	C	S	.	.	H	α-helix	trans	-65.9	-45.9	176	-64.7	171.5	0	0	0	110.9	L41 Y44 L65 H74 W75 E80 A81 H82	L41-I78 HydrophobicContact CD1-CG1 4.29Å; L41-I78 HydrophobicContact CD2-CD1 4.29Å; L41-I78 HydrophobicContact CD2-CG1 3.54Å; Y44-I78 HydrophobicContact CD2-CD1 4.22Å; Y44-I78 HydrophobicContact CE2-CD1 3.95Å; L65-I78 HydrophobicContact CD1-CG2 3.83Å; H74-I78 PolarHBondContact O-N 3.05Å; W75-I78 PolarHBondContact O-N 3.45Å; I78-E80 VanDerWaalsContact C-N 3.32Å; I78-E80 PolarHBondContact O-N 3.05Å; I78-A81 PolarHBondContact O-N 3.31Å; I78-H82 WeakPolarHBondContact O-CB 3.18Å; I78-H82 PolarHBondContact O-N 3.4Å
79	A	68.4	Low	68.4	Low	20 Å²	20	83 Å²	83	17%	0.165	38%	0.377	C	S	.	.	H	α-helix	trans	-62.9	-39.6	178.2	0	0	0	0	0	111.7	W75 H82 I83	W75-A79 WeakPolarHBondContact O-CB 3.43Å; W75-A79 PolarHBondContact O-N 2.9Å; A79-H82 PolarHBondContact O-N 2.9Å; A79-I83 WeakPolarHBondContact O-CD1 3.35Å; A79-I83 VanDerWaalsContact O-CG1 3.25Å; A79-I83 WeakPolarHBondContact O-CG1 3.31Å; A79-I83 PolarHBondContact O-N 2.83Å
80	E	71.3	Confident	69.5	Low	140 Å²	140	82 Å²	82	65%	0.654	37%	0.371	S	S	*	.	H	α-helix	trans	-68.7	-42.9	177.8	-170.3	169.7	-172.1	0	0	112.3	R76 E77 I78 H82 I83 K84	R76-E80 VanDerWaalsContact O-CB 3.31Å; R76-E80 WeakPolarHBondContact O-CB 3.37Å; R76-E80 PolarHBondContact O-N 3.3Å; E77-E80 PolarHBondContact O-N 2.94Å; I78-E80 VanDerWaalsContact C-N 3.32Å; I78-E80 PolarHBondContact O-N 3.05Å; E80-H82 VanDerWaalsContact C-N 3.32Å; E80-H82 PolarHBondContact O-N 3.19Å; E80-I83 PolarHBondContact O-N 3.26Å; E80-K84 WeakPolarHBondContact O-CB 3.49Å; E80-K84 PolarHBondContact O-N 2.71Å
81	A	69.8	Low	71.1	Confident	13 Å²	13	73.3 Å²	73.3	11%	0.107	33%	0.333	C	S	.	.	H	α-helix	trans	-61.3	-40.9	174.1	0	0	0	0	0	112	W35 H39 L41 E77 I78 K84 L85	W35-A81 HydrophobicContact CH2-CB 4.48Å; W35-A81 HydrophobicContact CZ2-CB 4.41Å; H39-A81 HydrophobicContact CB-CB 4.42Å; L41-A81 HydrophobicContact CD1-CB 4.33Å; E77-A81 WeakPolarHBondContact O-CB 3.45Å; E77-A81 PolarHBondContact O-N 3.36Å; I78-A81 PolarHBondContact O-N 3.31Å; A81-K84 PolarHBondContact O-N 3.18Å; A81-L85 PolarHBondContact O-N 3.36Å
82	H	72.9	Confident	72.5	Confident	11 Å²	11	66.7 Å²	66.7	5%	0.051	30%	0.302	C	S	.	.	H	α-helix	trans	-64.5	-47.5	176.6	179.2	83.4	0	0	0	112.4	S58 L62 I78 A79 E80 K84 L85 L86	S58-H82 PolarHBondContact O-CE1 3.31Å; S58-H82 PolarHBondContact O-NE2 2.86Å; L62-H82 VanDerWaalsContact CD1-CD2 3.45Å; L62-H82 WeakPolarHBondContact CD1-CD2 3.36Å; L62-H82 WeakPolarHBondContact CD1-NE2 3.46Å; L62-H82 WeakPolarHBondContact CG-NE2 3.47Å; I78-H82 WeakPolarHBondContact O-CB 3.18Å; I78-H82 PolarHBondContact O-N 3.4Å; A79-H82 PolarHBondContact O-N 2.9Å; E80-H82 VanDerWaalsContact C-N 3.32Å; E80-H82 PolarHBondContact O-N 3.19Å; H82-K84 VanDerWaalsContact C-N 3.26Å; H82-K84 PolarHBondContact O-N 2.97Å; H82-L85 PolarHBondContact O-N 2.92Å; H82-L86 WeakPolarHBondContact O-CB 3.47Å; H82-L86 PolarHBondContact O-N 3.22Å
83	I	74.4	Confident	73.9	Confident	57 Å²	57	61 Å²	61	29%	0.292	28%	0.275	S	S	.	.	H	α-helix	trans	-61	-38.6	177.2	-70.9	166.5	0	0	0	110.7	A79 E80 L86 R87	A79-I83 WeakPolarHBondContact O-CD1 3.35Å; A79-I83 VanDerWaalsContact O-CG1 3.25Å; A79-I83 WeakPolarHBondContact O-CG1 3.31Å; A79-I83 PolarHBondContact O-N 2.83Å; E80-I83 PolarHBondContact O-N 3.26Å; I83-L86 PolarHBondContact O-N 2.86Å; I83-R87 HydrophobicContact CG2-CG 4.46Å; I83-R87 WeakPolarHBondContact O-CB 3.48Å; I83-R87 VanDerWaalsContact O-CG 3.31Å; I83-R87 WeakPolarHBondContact O-CG 3.42Å; I83-R87 PolarHBondContact O-N 2.78Å
84	K	76.1	Confident	75.4	Confident	130 Å²	130	52.6 Å²	52.6	57%	0.565	24%	0.236	S	C	*	.	H	α-helix	trans	-64.9	-42.6	178	-167.9	175.9	-177.1	178.4	0	112.2	E80 A81 H82 D88	E80-K84 WeakPolarHBondContact O-CB 3.49Å; E80-K84 PolarHBondContact O-N 2.71Å; A81-K84 PolarHBondContact O-N 3.18Å; H82-K84 VanDerWaalsContact C-N 3.26Å; H82-K84 PolarHBondContact O-N 2.97Å; K84-D88 PolarHBondContact O-N 2.66Å; K84-D88 VanDerWaalsContact O-N 3.15Å
85	L	77	Confident	76.6	Confident	16 Å²	16	48.5 Å²	48.5	8%	0.084	22%	0.217	C	C	.	.	H	α-helix	trans	-64.6	-44.9	176.3	-174.7	65	0	0	0	111.5	W35 L54 L57 A81 H82 R87 D88 F89	W35-L85 HydrophobicContact CD2-CD2 4.34Å; W35-L85 HydrophobicContact CH2-CD2 4.32Å; W35-L85 HydrophobicContact CZ2-CB 3.95Å; W35-L85 HydrophobicContact CZ2-CD2 3.71Å; W35-L85 HydrophobicContact CZ2-CG 4.3Å; L54-L85 HydrophobicContact CD2-CD1 4.42Å; L54-L85 HydrophobicContact CD2-CD2 4.06Å; L57-L85 HydrophobicContact CD2-CD2 4.24Å; A81-L85 PolarHBondContact O-N 3.36Å; H82-L85 PolarHBondContact O-N 2.92Å; L85-R87 VanDerWaalsContact C-N 3.34Å; L85-R87 PolarHBondContact O-N 2.79Å; L85-D88 PolarHBondContact O-N 2.95Å; L85-F89 HydrophobicContact CD1-CD2 4.05Å; L85-F89 HydrophobicContact CD1-CE2 3.45Å; L85-F89 VanDerWaalsContact CD1-CE2 3.45Å; L85-F89 HydrophobicContact CD1-CZ 4.1Å; L85-F89 HydrophobicContact CD2-CE2 4.18Å; L85-F89 HydrophobicContact CG-CD2 3.97Å; L85-F89 HydrophobicContact CG-CE2 3.65Å; L85-F89 WeakPolarHBondContact O-CD2 3.36Å; L85-F89 PolarHBondContact O-N 3.24Å
86	L	79.4	Confident	77.5	Confident	1 Å²	1	46 Å²	46	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-60.7	-43.2	178.5	-172.7	135.6	0	0	0	112.1	S58 H82 I83 F89 A90 E161 I162 V165	S58-L86 WeakPolarHBondContact O-CD1 3.25Å; H82-L86 WeakPolarHBondContact O-CB 3.47Å; H82-L86 PolarHBondContact O-N 3.22Å; I83-L86 PolarHBondContact O-N 2.86Å; L86-F89 PolarHBondContact O-N 3.36Å; L86-A90 WeakPolarHBondContact O-CB 3.22Å; L86-A90 PolarHBondContact O-N 3.1Å; L86-E161 HydrophobicContact CD2-CB 3.48Å; L86-E161 VanDerWaalsContact CD2-CB 3.48Å; L86-I162 HydrophobicContact CD1-CG1 3.68Å; L86-I162 HydrophobicContact CD2-CG1 4.39Å; L86-V165 HydrophobicContact CG-CG2 4.32Å; L86-V165 WeakPolarHBondContact O-CG2 3.3Å
87	R	82.8	Confident	78.1	Confident	84 Å²	84	38.7 Å²	38.7	32%	0.317	19%	0.192	S	C	.	.	H	α-helix	trans	-64.8	-37.8	177.3	-80.4	177.3	173.4	-167	-2.8	113.5	I83 L85 F91 N114 D116 E161	I83-R87 HydrophobicContact CG2-CG 4.46Å; I83-R87 WeakPolarHBondContact O-CB 3.48Å; I83-R87 VanDerWaalsContact O-CG 3.31Å; I83-R87 WeakPolarHBondContact O-CG 3.42Å; I83-R87 PolarHBondContact O-N 2.78Å; L85-R87 VanDerWaalsContact C-N 3.34Å; L85-R87 PolarHBondContact O-N 2.79Å; R87-F91 VanDerWaalsContact O-CB 3.26Å; R87-F91 WeakPolarHBondContact O-CB 3.49Å; R87-F91 PolarHBondContact O-N 2.9Å; R87-N114 HydrophobicContact CB-CB 3.98Å; R87-D116 IonicContact CZ-OD2 2.68Å; R87-D116 IonicContact NH1-OD2 3.29Å; R87-D116 IonicContact NH2-OD2 3.43Å; R87-E161 WeakPolarHBondContact CG-OE2 3.41Å; R87-E161 IonicContact NE-OE2 2.93Å
88	D	82.3	Confident	78.7	Confident	40 Å²	40	36.4 Å²	36.4	21%	0.214	18%	0.181	C	C	.	.	H	α-helix	trans	-68.4	-43	178.8	-165.2	34.7	0	0	0	111.4	K84 L85 F91 Q92 H104 K108	K84-D88 PolarHBondContact O-N 2.66Å; K84-D88 VanDerWaalsContact O-N 3.15Å; L85-D88 PolarHBondContact O-N 2.95Å; D88-F91 WeakPolarHBondContact O-CB 3.37Å; D88-F91 PolarHBondContact O-N 3.23Å; D88-Q92 WeakPolarHBondContact O-CG 3.27Å; D88-Q92 PolarHBondContact O-N 3.14Å; D88-H104 IonicContact OD1-CE1 3.33Å; D88-K108 WeakPolarHBondContact OD1-CE 3.45Å; D88-K108 IonicContact OD1-NZ 2.78Å; D88-K108 PolarHBondContact OD1-NZ 3.09Å; D88-K108 IonicContact OD2-NZ 3.14Å; D88-K108 PolarHBondContact OD2-NZ 3.1Å
89	F	81.9	Confident	79.3	Confident	20 Å²	20	41.3 Å²	41.3	9%	0.088	21%	0.208	C	C	.	.	H	α-helix	trans	-67.5	-39.5	175.4	-73.4	-52.8	0	0	0	112.8	L54 L85 L86 F91 Q92 E93 V165	L54-F89 HydrophobicContact CB-CE2 4.07Å; L54-F89 HydrophobicContact CB-CZ 3.84Å; L85-F89 HydrophobicContact CD1-CD2 4.05Å; L85-F89 HydrophobicContact CD1-CE2 3.45Å; L85-F89 VanDerWaalsContact CD1-CE2 3.45Å; L85-F89 HydrophobicContact CD1-CZ 4.1Å; L85-F89 HydrophobicContact CD2-CE2 4.18Å; L85-F89 HydrophobicContact CG-CD2 3.97Å; L85-F89 HydrophobicContact CG-CE2 3.65Å; L85-F89 WeakPolarHBondContact O-CD2 3.36Å; L85-F89 PolarHBondContact O-N 3.24Å; L86-F89 PolarHBondContact O-N 3.36Å; F89-F91 VanDerWaalsContact C-N 3.29Å; F89-F91 PolarHBondContact O-N 3.08Å; F89-Q92 PolarHBondContact O-N 3.33Å; F89-E93 PolarHBondContact O-N 3.44Å; F89-V165 HydrophobicContact CB-CG1 4.32Å; F89-V165 HydrophobicContact CB-CG2 3.77Å
90	A	83.4	Confident	79.8	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.8	-39.2	173.8	0	0	0	0	0	111.7	L86 W94 L115 E161 L164 V165	L86-A90 WeakPolarHBondContact O-CB 3.22Å; L86-A90 PolarHBondContact O-N 3.1Å; A90-W94 VanDerWaalsContact O-CB 3.31Å; A90-W94 WeakPolarHBondContact O-CB 3.34Å; A90-W94 PolarHBondContact O-N 2.78Å; A90-L115 HydrophobicContact CB-CD1 4.37Å; A90-E161 HydrophobicContact CB-CB 3.82Å; A90-E161 HydrophobicContact CB-CG 4.11Å; A90-L164 HydrophobicContact CB-CB 4.28Å; A90-V165 HydrophobicContact CB-CG2 4.07Å
91	F	86.3	Confident	80.2	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.1	-41.6	175.5	177.5	-124.5	0	0	0	112.5	R87 D88 F89 L95 H104 L107 L115 L118	R87-F91 VanDerWaalsContact O-CB 3.26Å; R87-F91 WeakPolarHBondContact O-CB 3.49Å; R87-F91 PolarHBondContact O-N 2.9Å; D88-F91 WeakPolarHBondContact O-CB 3.37Å; D88-F91 PolarHBondContact O-N 3.23Å; F89-F91 VanDerWaalsContact C-N 3.29Å; F89-F91 PolarHBondContact O-N 3.08Å; F91-L95 HydrophobicContact CD2-CD1 4.42Å; F91-L95 HydrophobicContact CE1-CD1 4.07Å; F91-L95 HydrophobicContact CE2-CD1 3.97Å; F91-L95 HydrophobicContact CE2-CG 4.25Å; F91-L95 HydrophobicContact CZ-CD1 3.77Å; F91-L95 WeakPolarHBondContact O-CG 3.49Å; F91-L95 PolarHBondContact O-N 3.12Å; F91-L95 VanDerWaalsContact O-N 3.16Å; F91-H104 AromaticContact CD1-CE1 3.6Å; F91-H104 AromaticContact CD1-ND1 3.61Å; F91-H104 AromaticContact CE1-CE1 3.8Å; F91-H104 AromaticContact CE1-ND1 3.5Å; F91-L107 HydrophobicContact CZ-CB 4.07Å; F91-L107 HydrophobicContact CZ-CD1 4.07Å; F91-L115 HydrophobicContact CB-CG 4.41Å; F91-L115 HydrophobicContact CD2-CD2 3.96Å; F91-L115 HydrophobicContact CD2-CG 4.38Å; F91-L118 HydrophobicContact CE2-CB 4.22Å; F91-L118 HydrophobicContact CE2-CD1 4.44Å; F91-L118 HydrophobicContact CE2-CD2 4.06Å; F91-L118 HydrophobicContact CE2-CG 4.45Å
92	Q	82.8	Confident	80.6	Confident	52 Å²	52	43.2 Å²	43.2	24%	0.243	21%	0.211	C	C	.	.	H	α-helix	trans	-62.3	-49.5	174.7	-76.9	-176.3	-11.5	0	0	112.7	D88 F89 W94 L95 S96 H104	D88-Q92 WeakPolarHBondContact O-CG 3.27Å; D88-Q92 PolarHBondContact O-N 3.14Å; F89-Q92 PolarHBondContact O-N 3.33Å; Q92-W94 VanDerWaalsContact C-N 3.33Å; Q92-W94 PolarHBondContact O-N 3.35Å; Q92-L95 PolarHBondContact O-N 3.21Å; Q92-S96 PolarHBondContact O-N 2.82Å; Q92-H104 WeakPolarHBondContact CG-CE1 3.34Å; Q92-H104 WeakPolarHBondContact CG-NE2 3.44Å; Q92-H104 PolarHBondContact NE2-NE2 3.35Å
93	E	84.7	Confident	80.7	Confident	9 Å²	9	43.3 Å²	43.3	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-65.8	-38	-179.4	-175.4	60.4	-172	0	0	111.5	F89 L95 S96 S97 L164 L168 R171	F89-E93 PolarHBondContact O-N 3.44Å; E93-L95 VanDerWaalsContact C-N 3.35Å; E93-L95 PolarHBondContact O-N 2.91Å; E93-S96 PolarHBondContact O-N 2.83Å; E93-S97 WeakPolarHBondContact O-CB 3.47Å; E93-S97 PolarHBondContact O-N 3.21Å; E93-L164 HydrophobicContact CB-CD2 4.36Å; E93-L164 HydrophobicContact CG-CD2 4.02Å; E93-L168 HydrophobicContact CB-CB 3.92Å; E93-L168 HydrophobicContact CB-CD1 3.75Å; E93-L168 HydrophobicContact CB-CG 4.43Å; E93-L168 HydrophobicContact CG-CB 3.87Å; E93-L168 HydrophobicContact CG-CD1 4.42Å; E93-L168 WeakPolarHBondContact OE2-CB 3.25Å; E93-L168 VanDerWaalsContact OE2-CD1 3.3Å; E93-L168 WeakPolarHBondContact OE2-CD1 3.39Å; E93-R171 IonicContact OE1-NH1 2.69Å; E93-R171 PolarHBondContact OE1-NH1 2.79Å
94	W	88.2	Confident	81	Confident	12 Å²	12	42 Å²	42	5%	0.045	20%	0.203	C	C	.	.	H	α-helix	trans	-61.1	-45.1	177.1	-174.8	86	0	0	0	111.4	A90 Q92 S96 S97 Q98 L115 L118 L149	A90-W94 VanDerWaalsContact O-CB 3.31Å; A90-W94 WeakPolarHBondContact O-CB 3.34Å; A90-W94 PolarHBondContact O-N 2.78Å; Q92-W94 VanDerWaalsContact C-N 3.33Å; Q92-W94 PolarHBondContact O-N 3.35Å; W94-S96 PolarHBondContact O-N 3.13Å; W94-S97 PolarHBondContact O-N 3.17Å; W94-S97 PolarHBondContact O-OG 3.45Å; W94-Q98 HydrophobicContact CH2-CG 4.4Å; W94-Q98 HydrophobicContact CZ2-CG 4.24Å; W94-Q98 PolarHBondContact O-N 3.2Å; W94-L115 HydrophobicContact CB-CD1 4.26Å; W94-L115 HydrophobicContact CB-CD2 3.69Å; W94-L115 HydrophobicContact CD2-CD2 3.71Å; W94-L115 HydrophobicContact CE3-CD2 3.99Å; W94-L115 HydrophobicContact CG-CD1 4.46Å; W94-L115 HydrophobicContact CG-CD2 3.56Å; W94-L118 HydrophobicContact CE3-CD2 3.82Å; W94-L118 HydrophobicContact CH2-CD2 3.82Å; W94-L118 HydrophobicContact CZ3-CD2 3.3Å; W94-L149 HydrophobicContact CD2-CD1 4.38Å; W94-L149 HydrophobicContact CH2-CD1 3.89Å; W94-L149 HydrophobicContact CZ2-CD1 3.52Å; W94-L149 HydrophobicContact CZ2-CG 4.03Å; W94-L149 HydrophobicContact CZ3-CD1 4.45Å
95	L	84.3	Confident	81	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61	-44.5	174.8	-73.1	172	0	0	0	111.5	F91 Q92 E93 S97 Q98 N99 L100 H104 L107	F91-L95 HydrophobicContact CD2-CD1 4.42Å; F91-L95 HydrophobicContact CE1-CD1 4.07Å; F91-L95 HydrophobicContact CE2-CD1 3.97Å; F91-L95 HydrophobicContact CE2-CG 4.25Å; F91-L95 HydrophobicContact CZ-CD1 3.77Å; F91-L95 WeakPolarHBondContact O-CG 3.49Å; F91-L95 PolarHBondContact O-N 3.12Å; F91-L95 VanDerWaalsContact O-N 3.16Å; Q92-L95 PolarHBondContact O-N 3.21Å; E93-L95 VanDerWaalsContact C-N 3.35Å; E93-L95 PolarHBondContact O-N 2.91Å; L95-S97 PolarHBondContact O-N 2.82Å; L95-Q98 PolarHBondContact O-N 2.84Å; L95-N99 PolarHBondContact O-N 3.21Å; L95-L100 HydrophobicContact CD2-CB 4Å; L95-L100 WeakPolarHBondContact O-CA 3.27Å; L95-L100 PolarHBondContact O-N 2.89Å; L95-H104 HydrophobicContact CD1-CB 3.83Å; L95-L107 HydrophobicContact CD1-CD1 4.23Å; L95-L107 HydrophobicContact CD2-CD1 3.99Å
96	S	82.2	Confident	80.9	Confident	28 Å²	28	44.7 Å²	44.7	20%	0.196	22%	0.218	C	C	.	.	H	α-helix	trans	-63.9	-38.9	177.6	-168.9	0	0	0	0	112.2	Q92 E93 W94 Q98 N99 E101	Q92-S96 PolarHBondContact O-N 2.82Å; E93-S96 PolarHBondContact O-N 2.83Å; W94-S96 PolarHBondContact O-N 3.13Å; S96-Q98 PolarHBondContact O-N 2.88Å; S96-Q98 VanDerWaalsContact O-N 3.14Å; S96-N99 PolarHBondContact O-N 2.78Å; S96-E101 WeakPolarHBondContact CB-OE2 3.45Å; S96-E101 PolarHBondContact OG-OE2 3.39Å
97	S	79.7	Confident	80.9	Confident	53 Å²	53	44.7 Å²	44.7	37%	0.371	22%	0.218	S	C	.	.	H	α-helix	trans	-60.7	-25.6	176.2	81.6	0	0	0	0	113.8	E93 W94 L95	E93-S97 WeakPolarHBondContact O-CB 3.47Å; E93-S97 PolarHBondContact O-N 3.21Å; W94-S97 PolarHBondContact O-N 3.17Å; W94-S97 PolarHBondContact O-OG 3.45Å; L95-S97 PolarHBondContact O-N 2.82Å
98	Q	79.4	Confident	80.7	Confident	68 Å²	68	44 Å²	44	32%	0.318	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	4.7	176.9	-58.7	-54.9	-57.5	0	0	112.9	W94 L95 S96 L100	W94-Q98 HydrophobicContact CH2-CG 4.4Å; W94-Q98 HydrophobicContact CZ2-CG 4.24Å; W94-Q98 PolarHBondContact O-N 3.2Å; L95-Q98 PolarHBondContact O-N 2.84Å; S96-Q98 PolarHBondContact O-N 2.88Å; S96-Q98 VanDerWaalsContact O-N 3.14Å; Q98-L100 VanDerWaalsContact C-N 3.27Å; Q98-L100 HydrophobicContact CB-CD1 3.91Å; Q98-L100 HydrophobicContact CB-CG 4.01Å; Q98-L100 PolarHBondContact O-N 2.79Å
99	N	77.8	Confident	80.3	Confident	114 Å²	114	47 Å²	47	61%	0.61	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	31.7	-170.7	-63.6	-26.9	0	0	0	113.9	L95 S96	L95-N99 PolarHBondContact O-N 3.21Å; S96-N99 PolarHBondContact O-N 2.78Å
100	L	80.1	Confident	79.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.251	C	S	.	.			trans	-111.2	15.9	-177.7	-62.4	176.3	0	0	0	113.3	L95 Q98 H102 Y103 D138 K141 L142	L95-L100 HydrophobicContact CD2-CB 4Å; L95-L100 WeakPolarHBondContact O-CA 3.27Å; L95-L100 PolarHBondContact O-N 2.89Å; Q98-L100 VanDerWaalsContact C-N 3.27Å; Q98-L100 HydrophobicContact CB-CD1 3.91Å; Q98-L100 HydrophobicContact CB-CG 4.01Å; Q98-L100 PolarHBondContact O-N 2.79Å; L100-H102 PolarHBondContact O-N 2.87Å; L100-H102 VanDerWaalsContact O-N 3.15Å; L100-Y103 HydrophobicContact CB-CD2 4.16Å; L100-Y103 HydrophobicContact CD2-CD2 4Å; L100-Y103 HydrophobicContact CD2-CE2 3.9Å; L100-Y103 WeakPolarHBondContact O-CB 3.44Å; L100-Y103 PolarHBondContact O-N 3.02Å; L100-D138 HydrophobicContact CD2-CB 3.66Å; L100-K141 HydrophobicContact CD1-CB 4.3Å; L100-L142 HydrophobicContact CD1-CB 3.96Å; L100-L142 HydrophobicContact CD1-CD1 3.94Å
101	E	78.1	Confident	79.5	Confident	116 Å²	116	51.8 Å²	51.8	54%	0.542	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-56.4	-30.4	-176.4	59.5	-162.8	-162.8	0	0	114.7	S96 Y103 H104	S96-E101 WeakPolarHBondContact CB-OE2 3.45Å; S96-E101 PolarHBondContact OG-OE2 3.39Å; E101-Y103 PolarHBondContact O-N 2.6Å; E101-H104 VanDerWaalsContact O-CB 3.28Å; E101-H104 WeakPolarHBondContact O-CB 3.27Å; E101-H104 PolarHBondContact O-N 2.94Å; E101-H104 VanDerWaalsContact O-N 3.11Å
102	H	78.4	Confident	79.2	Confident	97 Å²	97	52 Å²	52	45%	0.449	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-66.4	-17.1	177.2	57.4	-84.2	0	0	0	113.6	L100	L100-H102 PolarHBondContact O-N 2.87Å; L100-H102 VanDerWaalsContact O-N 3.15Å
103	Y	74.6	Confident	78.9	Confident	13 Å²	13	53.3 Å²	53.3	5%	0.051	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-84.2	-9.1	174.1	-70.9	-77.7	0	0	0	114	L100 E101 H105 I106 L107 L129 Y134 D138	L100-Y103 HydrophobicContact CB-CD2 4.16Å; L100-Y103 HydrophobicContact CD2-CD2 4Å; L100-Y103 HydrophobicContact CD2-CE2 3.9Å; L100-Y103 WeakPolarHBondContact O-CB 3.44Å; L100-Y103 PolarHBondContact O-N 3.02Å; E101-Y103 PolarHBondContact O-N 2.6Å; Y103-H105 PolarHBondContact O-N 3.48Å; Y103-I106 HydrophobicContact CD1-CD1 4.5Å; Y103-I106 PolarHBondContact O-N 3.17Å; Y103-I106 VanDerWaalsContact O-N 3.13Å; Y103-L107 WeakPolarHBondContact O-CG 3.35Å; Y103-L107 PolarHBondContact O-N 3.45Å; Y103-L129 HydrophobicContact CD1-CD2 4.4Å; Y103-Y134 WeakPolarHBondContact OH-CB 3.22Å; Y103-D138 HydrophobicContact CE2-CB 4.31Å
104	H	81.2	Confident	78.8	Confident	28 Å²	28	53.8 Å²	53.8	13%	0.13	29%	0.288	C	S	.	.	H	α-helix	trans	-56.2	-44.8	-171.8	-177.9	67.2	0	0	0	113.2	D88 F91 Q92 L95 E101 K108	D88-H104 IonicContact OD1-CE1 3.33Å; F91-H104 AromaticContact CD1-CE1 3.6Å; F91-H104 AromaticContact CD1-ND1 3.61Å; F91-H104 AromaticContact CE1-CE1 3.8Å; F91-H104 AromaticContact CE1-ND1 3.5Å; Q92-H104 WeakPolarHBondContact CG-CE1 3.34Å; Q92-H104 WeakPolarHBondContact CG-NE2 3.44Å; Q92-H104 PolarHBondContact NE2-NE2 3.35Å; L95-H104 HydrophobicContact CD1-CB 3.83Å; E101-H104 VanDerWaalsContact O-CB 3.28Å; E101-H104 WeakPolarHBondContact O-CB 3.27Å; E101-H104 PolarHBondContact O-N 2.94Å; E101-H104 VanDerWaalsContact O-N 3.11Å; H104-K108 VanDerWaalsContact CE1-CE 3.46Å; H104-K108 WeakPolarHBondContact CE1-CE 3.44Å; H104-K108 WeakPolarHBondContact NE2-CE 3.49Å; H104-K108 PolarHBondContact NE2-NZ 2.86Å; H104-K108 VanDerWaalsContact NE2-NZ 3.11Å; H104-K108 PolarHBondContact O-N 3.47Å; H104-K108 VanDerWaalsContact O-N 3.13Å
105	H	75.9	Confident	78.6	Confident	148 Å²	148	53.2 Å²	53.2	69%	0.685	29%	0.286	S	S	*	.	H	α-helix	trans	-70.5	-36.5	179.7	-166.2	-63.1	0	0	0	112.7	Y103 T109	Y103-H105 PolarHBondContact O-N 3.48Å; H105-T109 PolarHBondContact O-N 2.8Å; H105-T109 VanDerWaalsContact O-N 3.08Å; H105-T109 PolarHBondContact O-OG1 3.42Å
106	I	76.2	Confident	78.5	Confident	55 Å²	55	54.7 Å²	54.7	28%	0.282	29%	0.294	S	S	.	.	H	α-helix	trans	-68.2	-46.1	179.7	-62.8	173.6	0	0	0	109.8	Y103 K108 T109 L110 L129 W132	Y103-I106 HydrophobicContact CD1-CD1 4.5Å; Y103-I106 PolarHBondContact O-N 3.17Å; Y103-I106 VanDerWaalsContact O-N 3.13Å; I106-K108 VanDerWaalsContact C-N 3.33Å; I106-K108 PolarHBondContact O-N 2.79Å; I106-T109 WeakPolarHBondContact O-CB 3.49Å; I106-T109 PolarHBondContact O-N 3.09Å; I106-T109 VanDerWaalsContact O-N 3.1Å; I106-L110 HydrophobicContact CG2-CD1 4.19Å; I106-L110 WeakPolarHBondContact O-CG 3.45Å; I106-L110 PolarHBondContact O-N 3.47Å; I106-L110 VanDerWaalsContact O-N 3.07Å; I106-L129 HydrophobicContact CG2-CD2 3.89Å; I106-W132 HydrophobicContact CG2-CE3 4.43Å; I106-W132 HydrophobicContact CG2-CZ3 4.04Å
107	L	78.3	Confident	78.4	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-61.7	-40.8	177.8	-70.8	171.2	0	0	0	111.6	F91 L95 Y103 T109 L110 G111 C112 L118 F121 L129	F91-L107 HydrophobicContact CZ-CB 4.07Å; F91-L107 HydrophobicContact CZ-CD1 4.07Å; L95-L107 HydrophobicContact CD1-CD1 4.23Å; L95-L107 HydrophobicContact CD2-CD1 3.99Å; Y103-L107 WeakPolarHBondContact O-CG 3.35Å; Y103-L107 PolarHBondContact O-N 3.45Å; L107-T109 VanDerWaalsContact C-N 3.33Å; L107-T109 PolarHBondContact O-N 3.24Å; L107-L110 CarbonylContact O-C 3.51Å; L107-L110 PolarHBondContact O-N 3.08Å; L107-L110 VanDerWaalsContact O-N 3.17Å; L107-G111 PolarHBondContact O-N 3.35Å; L107-C112 CarbonylContact C-O 3.43Å; L107-C112 HydrophobicContact CB-CB 4.11Å; L107-C112 WeakPolarHBondContact O-CA 3.09Å; L107-C112 WeakPolarHBondContact O-CB 3.31Å; L107-C112 PolarHBondContact O-N 2.88Å; L107-L118 HydrophobicContact CD1-CD1 4.18Å; L107-L118 HydrophobicContact CD2-CD1 4.29Å; L107-F121 HydrophobicContact CD2-CZ 4.31Å; L107-L129 HydrophobicContact CD2-CD1 3.93Å
108	K	78.1	Confident	78.5	Confident	69 Å²	69	53.2 Å²	53.2	30%	0.3	28%	0.28	S	S	.	.	H	α-helix	trans	-60.2	-40.8	172.2	-83	-173.1	166	170.3	0	112.8	D88 H104 I106 L110 G111 C112 I113	D88-K108 WeakPolarHBondContact OD1-CE 3.45Å; D88-K108 IonicContact OD1-NZ 2.78Å; D88-K108 PolarHBondContact OD1-NZ 3.09Å; D88-K108 IonicContact OD2-NZ 3.14Å; D88-K108 PolarHBondContact OD2-NZ 3.1Å; H104-K108 VanDerWaalsContact CE1-CE 3.46Å; H104-K108 WeakPolarHBondContact CE1-CE 3.44Å; H104-K108 WeakPolarHBondContact NE2-CE 3.49Å; H104-K108 PolarHBondContact NE2-NZ 2.86Å; H104-K108 VanDerWaalsContact NE2-NZ 3.11Å; H104-K108 PolarHBondContact O-N 3.47Å; H104-K108 VanDerWaalsContact O-N 3.13Å; I106-K108 VanDerWaalsContact C-N 3.33Å; I106-K108 PolarHBondContact O-N 2.79Å; K108-L110 PolarHBondContact O-N 3.04Å; K108-G111 PolarHBondContact O-N 2.86Å; K108-C112 WeakPolarHBondContact CA-O 3.14Å; K108-C112 PolarHBondContact N-O 2.81Å; K108-I113 HydrophobicContact CG-CG2 4.46Å
109	T	75.7	Confident	78.5	Confident	105 Å²	105	50 Å²	50	64%	0.644	26%	0.264	S	S	*	.	H	α-helix	trans	-65.2	-29.4	177.9	-47.2	0	0	0	0	112	H105 I106 L107 G111	H105-T109 PolarHBondContact O-N 2.8Å; H105-T109 VanDerWaalsContact O-N 3.08Å; H105-T109 PolarHBondContact O-OG1 3.42Å; I106-T109 WeakPolarHBondContact O-CB 3.49Å; I106-T109 PolarHBondContact O-N 3.09Å; I106-T109 VanDerWaalsContact O-N 3.1Å; L107-T109 VanDerWaalsContact C-N 3.33Å; L107-T109 PolarHBondContact O-N 3.24Å; T109-G111 VanDerWaalsContact C-N 3.26Å; T109-G111 PolarHBondContact O-N 3.17Å
110	L	72.6	Confident	78.4	Confident	70 Å²	70	51.8 Å²	51.8	37%	0.366	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	8.7	174.9	-64.5	172.1	0	0	0	113.4	I106 L107 K108 F121 L129	I106-L110 HydrophobicContact CG2-CD1 4.19Å; I106-L110 WeakPolarHBondContact O-CG 3.45Å; I106-L110 PolarHBondContact O-N 3.47Å; I106-L110 VanDerWaalsContact O-N 3.07Å; L107-L110 CarbonylContact O-C 3.51Å; L107-L110 PolarHBondContact O-N 3.08Å; L107-L110 VanDerWaalsContact O-N 3.17Å; K108-L110 PolarHBondContact O-N 3.04Å; L110-F121 HydrophobicContact CB-CE2 4.5Å; L110-F121 HydrophobicContact CD1-CZ 4.19Å; L110-L129 HydrophobicContact CD1-CD2 4.35Å
111	G	74.6	Confident	78.2	Confident	50 Å²	50	52.4 Å²	52.4	52%	0.515	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	7.4	177.9	0	0	0	0	0	115.3	L107 K108 T109	L107-G111 PolarHBondContact O-N 3.35Å; K108-G111 PolarHBondContact O-N 2.86Å; T109-G111 VanDerWaalsContact C-N 3.26Å; T109-G111 PolarHBondContact O-N 3.17Å
112	C	81.3	Confident	77.5	Confident	5 Å²	5	50.5 Å²	50.5	3%	0.034	26%	0.259	C	S	.	.			trans	-88.5	106.1	172.9	-70	0	0	0	0	110.7	L107 K108 F121	L107-C112 CarbonylContact C-O 3.43Å; L107-C112 HydrophobicContact CB-CB 4.11Å; L107-C112 WeakPolarHBondContact O-CA 3.09Å; L107-C112 WeakPolarHBondContact O-CB 3.31Å; L107-C112 PolarHBondContact O-N 2.88Å; K108-C112 WeakPolarHBondContact CA-O 3.14Å; K108-C112 PolarHBondContact N-O 2.81Å; C112-F121 WeakPolarHBondContact SG-CD2 3.49Å; C112-F121 WeakPolarHBondContact SG-CE2 3.45Å
113	I	76.8	Confident	76.6	Confident	79 Å²	79	49.6 Å²	49.6	41%	0.405	26%	0.264	S	S	.	.			trans	-113.7	-11.3	-174.7	58.1	170.5	0	0	0	113.6	K108 D117	K108-I113 HydrophobicContact CG-CG2 4.46Å; I113-D117 WeakPolarHBondContact CG1-OD2 3.3Å
114	N	82.6	Confident	75.5	Confident	18 Å²	18	56.1 Å²	56.1	10%	0.096	29%	0.294	C	S	.	.	S	Bend	trans	-149.3	177.1	178	62.1	55.7	0	0	0	112.1	R87 D116 D117 L118	R87-N114 HydrophobicContact CB-CB 3.98Å; N114-D116 VanDerWaalsContact C-N 3.32Å; N114-D116 PolarHBondContact O-N 2.81Å; N114-D116 WeakPolarHBondContact OD1-CA 3.36Å; N114-D116 VanDerWaalsContact OD1-CB 3.3Å; N114-D116 WeakPolarHBondContact OD1-CB 3.24Å; N114-D116 PolarHBondContact OD1-N 3.49Å; N114-D117 VanDerWaalsContact CG-OD2 3.24Å; N114-D117 PolarHBondContact ND2-OD2 2.54Å; N114-D117 PolarHBondContact O-N 2.9Å; N114-D117 PolarHBondContact OD1-N 2.86Å; N114-D117 PolarHBondContact OD1-OD2 3.43Å; N114-L118 PolarHBondContact O-N 2.77Å; N114-L118 VanDerWaalsContact O-N 3.1Å
115	L	83.3	Confident	74.3	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-72	-18.5	-178.8	-68	172.6	0	0	0	114.6	A90 F91 W94 L118 S119 L149 R156 Y160 L164	A90-L115 HydrophobicContact CB-CD1 4.37Å; F91-L115 HydrophobicContact CB-CG 4.41Å; F91-L115 HydrophobicContact CD2-CD2 3.96Å; F91-L115 HydrophobicContact CD2-CG 4.38Å; W94-L115 HydrophobicContact CB-CD1 4.26Å; W94-L115 HydrophobicContact CB-CD2 3.69Å; W94-L115 HydrophobicContact CD2-CD2 3.71Å; W94-L115 HydrophobicContact CE3-CD2 3.99Å; W94-L115 HydrophobicContact CG-CD1 4.46Å; W94-L115 HydrophobicContact CG-CD2 3.56Å; L115-L118 HydrophobicContact CD2-CD2 4.48Å; L115-S119 PolarHBondContact O-N 2.96Å; L115-L149 HydrophobicContact CD2-CD1 4.18Å; L115-R156 PolarHBondContact O-NH1 3.21Å; L115-R156 PolarHBondContact O-NH2 2.86Å; L115-Y160 HydrophobicContact CD1-CE1 4.5Å; L115-L164 HydrophobicContact CD1-CD1 4.08Å
116	D	81.1	Confident	73.5	Confident	32 Å²	32	52.1 Å²	52.1	17%	0.171	28%	0.278	C	S	.	.	H	α-helix	trans	-74.3	-45.8	171.5	-84	-45.2	0	0	0	110.8	R87 N114 L118 S119 R120 R156	R87-D116 IonicContact CZ-OD2 2.68Å; R87-D116 IonicContact NH1-OD2 3.29Å; R87-D116 IonicContact NH2-OD2 3.43Å; N114-D116 VanDerWaalsContact C-N 3.32Å; N114-D116 PolarHBondContact O-N 2.81Å; N114-D116 WeakPolarHBondContact OD1-CA 3.36Å; N114-D116 VanDerWaalsContact OD1-CB 3.3Å; N114-D116 WeakPolarHBondContact OD1-CB 3.24Å; N114-D116 PolarHBondContact OD1-N 3.49Å; D116-L118 VanDerWaalsContact C-N 3.31Å; D116-L118 PolarHBondContact O-N 2.85Å; D116-S119 WeakPolarHBondContact O-CB 3.46Å; D116-S119 PolarHBondContact O-N 3Å; D116-S119 VanDerWaalsContact O-N 3.12Å; D116-S119 PolarHBondContact O-OG 3.26Å; D116-R120 WeakPolarHBondContact O-CG 3.48Å; D116-R120 PolarHBondContact O-N 2.97Å; D116-R156 IonicContact OD1-CZ 2.98Å; D116-R156 IonicContact OD1-NH2 3.96Å; D116-R156 PolarHBondContact OD1-NH2 3.16Å; D116-R156 IonicContact OD2-NH2 2.98Å
117	D	80.7	Confident	72.4	Confident	50 Å²	50	54.4 Å²	54.4	27%	0.267	29%	0.29	S	S	.	.	H	α-helix	trans	-63.3	-41.8	177.7	-60.9	-30.9	0	0	0	110.5	I113 N114 S119 R120 F121	I113-D117 WeakPolarHBondContact CG1-OD2 3.3Å; N114-D117 VanDerWaalsContact CG-OD2 3.24Å; N114-D117 PolarHBondContact ND2-OD2 2.54Å; N114-D117 PolarHBondContact O-N 2.9Å; N114-D117 PolarHBondContact OD1-N 2.86Å; N114-D117 PolarHBondContact OD1-OD2 3.43Å; D117-S119 VanDerWaalsContact C-N 3.28Å; D117-S119 PolarHBondContact O-N 2.99Å; D117-R120 CarbonylContact O-C 3.54Å; D117-R120 PolarHBondContact O-N 3.46Å; D117-F121 PolarHBondContact O-N 3.45Å
118	L	82	Confident	71.3	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.4	-36	174.3	-169.4	71.1	0	0	0	112.3	F91 W94 L107 N114 L115 D116 R120 F121 L142 I146 L149	F91-L118 HydrophobicContact CE2-CB 4.22Å; F91-L118 HydrophobicContact CE2-CD1 4.44Å; F91-L118 HydrophobicContact CE2-CD2 4.06Å; F91-L118 HydrophobicContact CE2-CG 4.45Å; W94-L118 HydrophobicContact CE3-CD2 3.82Å; W94-L118 HydrophobicContact CH2-CD2 3.82Å; W94-L118 HydrophobicContact CZ3-CD2 3.3Å; L107-L118 HydrophobicContact CD1-CD1 4.18Å; L107-L118 HydrophobicContact CD2-CD1 4.29Å; N114-L118 PolarHBondContact O-N 2.77Å; N114-L118 VanDerWaalsContact O-N 3.1Å; L115-L118 HydrophobicContact CD2-CD2 4.48Å; D116-L118 VanDerWaalsContact C-N 3.31Å; D116-L118 PolarHBondContact O-N 2.85Å; L118-R120 PolarHBondContact O-N 3.07Å; L118-F121 WeakPolarHBondContact O-CB 3.28Å; L118-F121 PolarHBondContact O-N 2.9Å; L118-L142 HydrophobicContact CD1-CD1 4.5Å; L118-I146 HydrophobicContact CD1-CD1 4.2Å; L118-I146 HydrophobicContact CD1-CG1 4.49Å; L118-I146 HydrophobicContact CD2-CG1 4.36Å; L118-I146 HydrophobicContact CG-CD1 4.26Å; L118-I146 HydrophobicContact CG-CG1 4.02Å; L118-L149 HydrophobicContact CD2-CD1 3.94Å
119	S	79.8	Confident	70.1	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-68.1	-23.8	176.5	80	0	0	0	0	113.2	L115 D116 D117 Q150	L115-S119 PolarHBondContact O-N 2.96Å; D116-S119 WeakPolarHBondContact O-CB 3.46Å; D116-S119 PolarHBondContact O-N 3Å; D116-S119 VanDerWaalsContact O-N 3.12Å; D116-S119 PolarHBondContact O-OG 3.26Å; D117-S119 VanDerWaalsContact C-N 3.28Å; D117-S119 PolarHBondContact O-N 2.99Å; S119-Q150 WeakPolarHBondContact O-CG 3.3Å; S119-Q150 PolarHBondContact O-NE2 3.14Å
120	R	75.6	Confident	69	Low	152 Å²	152	50.6 Å²	50.6	57%	0.574	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	2.1	179	-62.9	175.5	-163.7	-160.6	0.6	112.7	D116 D117 L118 D122 R153	D116-R120 WeakPolarHBondContact O-CG 3.48Å; D116-R120 PolarHBondContact O-N 2.97Å; D117-R120 CarbonylContact O-C 3.54Å; D117-R120 PolarHBondContact O-N 3.46Å; L118-R120 PolarHBondContact O-N 3.07Å; R120-D122 PolarHBondContact O-N 3.23Å; R120-R153 VanDerWaalsContact NH2-NH2 3.15Å
121	F	74.4	Confident	67.9	Low	13 Å²	13	51 Å²	51	6%	0.057	29%	0.292	C	S	.	.			trans	-65.2	123.9	-172.5	-164.4	-112.1	0	0	0	111.7	L107 L110 C112 D117 L118 L125 Q126 L129	L107-F121 HydrophobicContact CD2-CZ 4.31Å; L110-F121 HydrophobicContact CB-CE2 4.5Å; L110-F121 HydrophobicContact CD1-CZ 4.19Å; C112-F121 WeakPolarHBondContact SG-CD2 3.49Å; C112-F121 WeakPolarHBondContact SG-CE2 3.45Å; D117-F121 PolarHBondContact O-N 3.45Å; L118-F121 WeakPolarHBondContact O-CB 3.28Å; L118-F121 PolarHBondContact O-N 2.9Å; F121-L125 HydrophobicContact CE1-CB 4.02Å; F121-L125 HydrophobicContact CE2-CB 4.46Å; F121-L125 HydrophobicContact CZ-CB 3.89Å; F121-Q126 HydrophobicContact CD1-CG 3.8Å; F121-Q126 HydrophobicContact CE1-CG 4.24Å; F121-Q126 PolarHBondContact O-NE2 3.07Å; F121-L129 HydrophobicContact CE1-CD1 3.58Å; F121-L129 HydrophobicContact CZ-CD1 3.87Å
122	D	65.1	Low	66.7	Low	76 Å²	76	56.3 Å²	56.3	41%	0.406	30%	0.297	S	S	.	.			trans	-60.8	134.1	-169.9	-178.8	4.1	0	0	0	112.9	R120 Q124 L125 Q126	R120-D122 PolarHBondContact O-N 3.23Å; D122-Q124 PolarHBondContact O-N 3.25Å; D122-Q124 PolarHBondContact OD1-N 3.09Å; D122-L125 HydrophobicContact CB-CB 4.34Å; D122-L125 HydrophobicContact CB-CD1 4.22Å; D122-L125 PolarHBondContact O-N 3.21Å; D122-Q126 WeakPolarHBondContact O-CG 3.15Å; D122-Q126 PolarHBondContact O-N 3.27Å
123	S	59.4	Low	65.1	Low	78 Å²	78	58.8 Å²	58.8	55%	0.545	32%	0.323	S	S	.	.	H	α-helix	trans	-53.3	-32.2	173.1	60.4	0	0	0	0	114.7	L127	S123-L127 PolarHBondContact O-N 3.06Å
124	Q	51.4	Low	63.8	Low	149 Å²	149	61.6 Å²	61.6	70%	0.696	33%	0.329	S	S	*	.	H	α-helix	trans	-72.8	-38.2	175	-106	-177	-17.2	0	0	112	D122 L127 S128	D122-Q124 PolarHBondContact O-N 3.25Å; D122-Q124 PolarHBondContact OD1-N 3.09Å; Q124-L127 WeakPolarHBondContact O-CB 3.32Å; Q124-L127 PolarHBondContact O-N 2.95Å; Q124-S128 PolarHBondContact O-N 2.8Å
125	L	55.3	Low	62.6	Low	70 Å²	70	68.2 Å²	68.2	37%	0.366	35%	0.354	S	S	.	.	H	α-helix	trans	-72	-30.7	176	-85.9	155.4	0	0	0	112.4	F121 D122 L127 S128 L129	F121-L125 HydrophobicContact CE1-CB 4.02Å; F121-L125 HydrophobicContact CE2-CB 4.46Å; F121-L125 HydrophobicContact CZ-CB 3.89Å; D122-L125 HydrophobicContact CB-CB 4.34Å; D122-L125 HydrophobicContact CB-CD1 4.22Å; D122-L125 PolarHBondContact O-N 3.21Å; L125-L127 VanDerWaalsContact C-N 3.25Å; L125-L127 PolarHBondContact O-N 3.14Å; L125-S128 VanDerWaalsContact C-OG 3.29Å; L125-S128 WeakPolarHBondContact CA-OG 3.24Å; L125-S128 PolarHBondContact O-N 3.03Å; L125-S128 VanDerWaalsContact O-N 3.15Å; L125-S128 PolarHBondContact O-OG 2.99Å; L125-L129 PolarHBondContact O-N 3.17Å
126	Q	60.1	Low	61.3	Low	22 Å²	22	75.6 Å²	75.6	10%	0.103	38%	0.383	C	S	.	.	H	α-helix	trans	-58.9	-35.9	170.3	-70	172.2	9.5	0	0	112.2	F121 D122 A130 Y139	F121-Q126 HydrophobicContact CD1-CG 3.8Å; F121-Q126 HydrophobicContact CE1-CG 4.24Å; F121-Q126 PolarHBondContact O-NE2 3.07Å; D122-Q126 WeakPolarHBondContact O-CG 3.15Å; D122-Q126 PolarHBondContact O-N 3.27Å; Q126-A130 PolarHBondContact O-N 3.18Å; Q126-Y139 HydrophobicContact CB-CE2 4.37Å
127	L	52.1	Low	60.2	Low	104 Å²	104	79 Å²	79	55%	0.545	40%	0.401	S	S	.	.	H	α-helix	trans	-72.8	-34.6	175.5	-73.4	160.9	0	0	0	111.9	S123 Q124 L125 A130 A131	S123-L127 PolarHBondContact O-N 3.06Å; Q124-L127 WeakPolarHBondContact O-CB 3.32Å; Q124-L127 PolarHBondContact O-N 2.95Å; L125-L127 VanDerWaalsContact C-N 3.25Å; L125-L127 PolarHBondContact O-N 3.14Å; L127-A130 PolarHBondContact O-N 2.97Å; L127-A131 PolarHBondContact O-N 2.92Å
128	S	54.5	Low	59.7	Low	43 Å²	43	77.4 Å²	77.4	30%	0.301	39%	0.393	S	S	.	.	H	α-helix	trans	-69.2	-33.8	175.1	47	0	0	0	0	113.6	Q124 L125 A130 A131 W132	Q124-S128 PolarHBondContact O-N 2.8Å; L125-S128 VanDerWaalsContact C-OG 3.29Å; L125-S128 WeakPolarHBondContact CA-OG 3.24Å; L125-S128 PolarHBondContact O-N 3.03Å; L125-S128 VanDerWaalsContact O-N 3.15Å; L125-S128 PolarHBondContact O-OG 2.99Å; S128-A130 VanDerWaalsContact C-N 3.32Å; S128-A130 PolarHBondContact O-N 2.81Å; S128-A131 WeakPolarHBondContact O-CB 3.38Å; S128-A131 PolarHBondContact O-N 2.89Å; S128-W132 PolarHBondContact O-N 2.89Å; S128-W132 VanDerWaalsContact O-N 3.13Å
129	L	54.7	Low	59.1	Low	8 Å²	8	80.4 Å²	80.4	4%	0.042	40%	0.404	C	S	.	.	H	α-helix	trans	-65.4	-35.1	172	-80.8	167.1	0	0	0	112.1	Y103 I106 L107 L110 F121 L125 W132 L142	Y103-L129 HydrophobicContact CD1-CD2 4.4Å; I106-L129 HydrophobicContact CG2-CD2 3.89Å; L107-L129 HydrophobicContact CD2-CD1 3.93Å; L110-L129 HydrophobicContact CD1-CD2 4.35Å; F121-L129 HydrophobicContact CE1-CD1 3.58Å; F121-L129 HydrophobicContact CZ-CD1 3.87Å; L125-L129 PolarHBondContact O-N 3.17Å; L129-W132 PolarHBondContact O-N 2.83Å; L129-L142 HydrophobicContact CD1-CD2 4.34Å
130	A	52.5	Low	58.5	Low	43 Å²	43	83.7 Å²	83.7	36%	0.355	42%	0.421	S	S	.	.	H	α-helix	trans	-69.5	-33.1	172	0	0	0	0	0	112.3	Q126 L127 S128 W132 Y139	Q126-A130 PolarHBondContact O-N 3.18Å; L127-A130 PolarHBondContact O-N 2.97Å; S128-A130 VanDerWaalsContact C-N 3.32Å; S128-A130 PolarHBondContact O-N 2.81Å; A130-W132 PolarHBondContact O-N 3.46Å; A130-Y139 HydrophobicContact CB-CD2 3.94Å; A130-Y139 HydrophobicContact CB-CG 4.35Å
131	A	48.7	Very low	58.4	Low	80 Å²	80	80 Å²	80	66%	0.661	41%	0.409	S	S	*	.	H	α-helix	trans	-71	-16.7	174.9	0	0	0	0	0	113.4	L127 S128 G133	L127-A131 PolarHBondContact O-N 2.92Å; S128-A131 WeakPolarHBondContact O-CB 3.38Å; S128-A131 PolarHBondContact O-N 2.89Å; A131-G133 VanDerWaalsContact C-N 3.25Å; A131-G133 PolarHBondContact O-N 2.72Å
132	W	48.6	Very low	58.4	Low	161 Å²	161	79.9 Å²	79.9	61%	0.61	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	15.5	179.8	-73.6	12.2	0	0	0	114.4	I106 S128 L129 A130	I106-W132 HydrophobicContact CG2-CE3 4.43Å; I106-W132 HydrophobicContact CG2-CZ3 4.04Å; S128-W132 PolarHBondContact O-N 2.89Å; S128-W132 VanDerWaalsContact O-N 3.13Å; L129-W132 PolarHBondContact O-N 2.83Å; A130-W132 PolarHBondContact O-N 3.46Å
133	G	48.3	Very low	58.8	Low	56 Å²	56	77 Å²	77	58%	0.577	40%	0.396	S	S	*	.	S	Bend	trans	90.9	30.2	157.6	0	0	0	0	0	116.9	A131	A131-G133 VanDerWaalsContact C-N 3.25Å; A131-G133 PolarHBondContact O-N 2.72Å
134	Y	49.7	Very low	59.6	Low	138 Å²	138	76.7 Å²	76.7	54%	0.541	39%	0.39	S	S	.	.			trans	-131	153.8	174.3	-67.7	-79.8	0	0	0	112	Y103	Y103-Y134 WeakPolarHBondContact OH-CB 3.22Å
135	Y	56.7	Low	60.7	Low	157 Å²	157	69.9 Å²	69.9	62%	0.616	36%	0.36	S	S	*	.			trans	-43.5	137.8	-158.3	-64.4	-92.6	0	0	0	115.9	D137 D138 Y139	Y135-D137 PolarHBondContact O-N 3.26Å; Y135-D137 VanDerWaalsContact O-N 3.14Å; Y135-D138 WeakPolarHBondContact O-CB 3.3Å; Y135-D138 PolarHBondContact O-N 2.7Å; Y135-Y139 PolarHBondContact O-N 2.88Å
136	Y	57.1	Low	61.8	Low	155 Å²	155	66.6 Å²	66.6	61%	0.608	34%	0.343	S	S	*	.	H	α-helix	trans	-55.2	-30.1	172	-175.1	-109.4	0	0	0	112.4	D138 Y139 I140	Y136-D138 VanDerWaalsContact C-N 3.31Å; Y136-D138 PolarHBondContact O-N 2.8Å; Y136-Y139 HydrophobicContact CD2-CD1 4.33Å; Y136-Y139 HydrophobicContact CE2-CD1 4.16Å; Y136-Y139 WeakPolarHBondContact O-CB 3.36Å; Y136-Y139 PolarHBondContact O-N 3.24Å; Y136-I140 HydrophobicContact CD1-CD1 3.66Å; Y136-I140 HydrophobicContact CD1-CG1 4.29Å; Y136-I140 HydrophobicContact CE1-CD1 3.34Å; Y136-I140 HydrophobicContact CE1-CG1 4.05Å; Y136-I140 WeakPolarHBondContact O-CG1 3.44Å; Y136-I140 PolarHBondContact O-N 2.9Å
137	D	58.5	Low	62.5	Low	103 Å²	103	71.6 Å²	71.6	55%	0.551	36%	0.364	S	S	*	.	H	α-helix	trans	-62.1	-36.6	172.6	-78.1	-13.3	0	0	0	112.8	Y135 I140 K141	Y135-D137 PolarHBondContact O-N 3.26Å; Y135-D137 VanDerWaalsContact O-N 3.14Å; D137-I140 PolarHBondContact O-N 3.42Å; D137-K141 VanDerWaalsContact O-CG 3.23Å; D137-K141 WeakPolarHBondContact O-CG 3.06Å; D137-K141 PolarHBondContact O-N 3.2Å
138	D	68.3	Low	63.7	Low	17 Å²	17	71.8 Å²	71.8	9%	0.091	36%	0.364	C	S	.	.	H	α-helix	trans	-76.8	-32.1	179.3	-64.3	-22.2	0	0	0	111	L100 Y103 Y135 Y136 K141 L142	L100-D138 HydrophobicContact CD2-CB 3.66Å; Y103-D138 HydrophobicContact CE2-CB 4.31Å; Y135-D138 WeakPolarHBondContact O-CB 3.3Å; Y135-D138 PolarHBondContact O-N 2.7Å; Y136-D138 VanDerWaalsContact C-N 3.31Å; Y136-D138 PolarHBondContact O-N 2.8Å; D138-K141 PolarHBondContact O-N 2.93Å; D138-K141 IonicContact OD1-NZ 2.82Å; D138-K141 PolarHBondContact OD1-NZ 3.18Å; D138-L142 WeakPolarHBondContact O-CB 3.34Å; D138-L142 PolarHBondContact O-N 3.18Å
139	Y	69.6	Low	64.7	Low	63 Å²	63	69.9 Å²	69.9	25%	0.247	35%	0.351	C	S	.	.	H	α-helix	trans	-61.9	-44.7	166.5	171.2	-97.6	0	0	0	111.8	Q126 A130 Y135 Y136 L142 S143	Q126-Y139 HydrophobicContact CB-CE2 4.37Å; A130-Y139 HydrophobicContact CB-CD2 3.94Å; A130-Y139 HydrophobicContact CB-CG 4.35Å; Y135-Y139 PolarHBondContact O-N 2.88Å; Y136-Y139 HydrophobicContact CD2-CD1 4.33Å; Y136-Y139 HydrophobicContact CE2-CD1 4.16Å; Y136-Y139 WeakPolarHBondContact O-CB 3.36Å; Y136-Y139 PolarHBondContact O-N 3.24Å; Y139-L142 PolarHBondContact O-N 3.44Å; Y139-S143 WeakPolarHBondContact O-CB 3.43Å; Y139-S143 PolarHBondContact O-N 3.33Å
140	I	67.4	Low	65.8	Low	70 Å²	70	73.7 Å²	73.7	36%	0.359	37%	0.368	S	S	.	.	H	α-helix	trans	-63.1	-46.5	176.9	-71.3	174.7	0	0	0	110.3	Y136 D137 L142 S143 T144	Y136-I140 HydrophobicContact CD1-CD1 3.66Å; Y136-I140 HydrophobicContact CD1-CG1 4.29Å; Y136-I140 HydrophobicContact CE1-CD1 3.34Å; Y136-I140 HydrophobicContact CE1-CG1 4.05Å; Y136-I140 WeakPolarHBondContact O-CG1 3.44Å; Y136-I140 PolarHBondContact O-N 2.9Å; D137-I140 PolarHBondContact O-N 3.42Å; I140-L142 PolarHBondContact O-N 3.39Å; I140-S143 PolarHBondContact O-N 3.02Å; I140-T144 WeakPolarHBondContact O-CB 3.43Å; I140-T144 PolarHBondContact O-N 3.14Å; I140-T144 PolarHBondContact O-OG1 2.95Å
141	K	73.5	Confident	66.8	Low	73 Å²	73	77.7 Å²	77.7	32%	0.317	39%	0.389	S	S	.	.	H	α-helix	trans	-60.4	-45.5	177.3	-71.3	167.3	-163.8	160.3	0	111.5	L100 D137 D138 G145	L100-K141 HydrophobicContact CD1-CB 4.3Å; D137-K141 VanDerWaalsContact O-CG 3.23Å; D137-K141 WeakPolarHBondContact O-CG 3.06Å; D137-K141 PolarHBondContact O-N 3.2Å; D138-K141 PolarHBondContact O-N 2.93Å; D138-K141 IonicContact OD1-NZ 2.82Å; D138-K141 PolarHBondContact OD1-NZ 3.18Å; K141-G145 WeakPolarHBondContact O-CA 3.26Å; K141-G145 PolarHBondContact O-N 3.04Å
142	L	75	Confident	67.6	Low	12 Å²	12	75.8 Å²	75.8	6%	0.063	37%	0.37	C	S	.	.	H	α-helix	trans	-66.6	-46.5	179.4	-172.8	68.6	0	0	0	111.3	L100 L118 L129 D138 Y139 I140 G145 I146	L100-L142 HydrophobicContact CD1-CB 3.96Å; L100-L142 HydrophobicContact CD1-CD1 3.94Å; L118-L142 HydrophobicContact CD1-CD1 4.5Å; L129-L142 HydrophobicContact CD1-CD2 4.34Å; D138-L142 WeakPolarHBondContact O-CB 3.34Å; D138-L142 PolarHBondContact O-N 3.18Å; Y139-L142 PolarHBondContact O-N 3.44Å; I140-L142 PolarHBondContact O-N 3.39Å; L142-G145 PolarHBondContact O-N 2.77Å; L142-I146 HydrophobicContact CD1-CD1 4.16Å; L142-I146 HydrophobicContact CG-CD1 3.89Å; L142-I146 WeakPolarHBondContact O-CB 3.35Å; L142-I146 WeakPolarHBondContact O-CG1 3.35Å; L142-I146 PolarHBondContact O-N 3.24Å
143	S	73.6	Confident	68.3	Low	16 Å²	16	73.3 Å²	73.3	11%	0.112	36%	0.361	C	S	.	.	H	α-helix	trans	-65.6	-42.8	179.3	-173.5	0	0	0	0	112.2	Y139 I140 I146 K147	Y139-S143 WeakPolarHBondContact O-CB 3.43Å; Y139-S143 PolarHBondContact O-N 3.33Å; I140-S143 PolarHBondContact O-N 3.02Å; S143-I146 PolarHBondContact O-N 2.65Å; S143-K147 WeakPolarHBondContact O-CG 3.17Å; S143-K147 PolarHBondContact O-N 3.12Å
144	T	75.9	Confident	68.8	Low	71 Å²	71	74.8 Å²	74.8	44%	0.436	38%	0.376	S	S	.	.	H	α-helix	trans	-67	-44.8	176.9	-53.7	0	0	0	0	110.3	I140 I146 K147 I148	I140-T144 WeakPolarHBondContact O-CB 3.43Å; I140-T144 PolarHBondContact O-N 3.14Å; I140-T144 PolarHBondContact O-OG1 2.95Å; T144-I146 PolarHBondContact O-N 2.87Å; T144-K147 PolarHBondContact O-N 3.32Å; T144-I148 HydrophobicContact CG2-CD1 4.07Å; T144-I148 VanDerWaalsContact O-CG1 3.26Å; T144-I148 WeakPolarHBondContact O-CG1 3.46Å; T144-I148 PolarHBondContact O-N 2.82Å
145	G	74.6	Confident	69	Low	5 Å²	5	72.8 Å²	72.8	5%	0.052	38%	0.382	C	S	.	.	H	α-helix	trans	-58.5	-45	174.4	0	0	0	0	0	112.6	K141 L142 I148 L149	K141-G145 WeakPolarHBondContact O-CA 3.26Å; K141-G145 PolarHBondContact O-N 3.04Å; L142-G145 PolarHBondContact O-N 2.77Å; G145-I148 PolarHBondContact O-N 2.89Å; G145-L149 VanDerWaalsContact O-CG 3.28Å; G145-L149 WeakPolarHBondContact O-CG 3.33Å; G145-L149 PolarHBondContact O-N 3.25Å
146	I	77.7	Confident	69.5	Low	2 Å²	2	67.2 Å²	67.2	1%	0.01	36%	0.36	C	S	.	.	H	α-helix	trans	-64.7	-42.4	177	-71.9	169.6	0	0	0	111.4	L118 L142 S143 T144 I148 L149 Q150	L118-I146 HydrophobicContact CD1-CD1 4.2Å; L118-I146 HydrophobicContact CD1-CG1 4.49Å; L118-I146 HydrophobicContact CD2-CG1 4.36Å; L118-I146 HydrophobicContact CG-CD1 4.26Å; L118-I146 HydrophobicContact CG-CG1 4.02Å; L142-I146 HydrophobicContact CD1-CD1 4.16Å; L142-I146 HydrophobicContact CG-CD1 3.89Å; L142-I146 WeakPolarHBondContact O-CB 3.35Å; L142-I146 WeakPolarHBondContact O-CG1 3.35Å; L142-I146 PolarHBondContact O-N 3.24Å; S143-I146 PolarHBondContact O-N 2.65Å; T144-I146 PolarHBondContact O-N 2.87Å; I146-I148 VanDerWaalsContact C-N 3.3Å; I146-I148 PolarHBondContact O-N 2.68Å; I146-L149 CarbonylContact O-C 3.56Å; I146-L149 WeakPolarHBondContact O-CB 3.36Å; I146-L149 PolarHBondContact O-N 3.24Å; I146-L149 VanDerWaalsContact O-N 3.15Å; I146-Q150 HydrophobicContact CG2-CG 4.3Å; I146-Q150 WeakPolarHBondContact O-CB 3.42Å; I146-Q150 WeakPolarHBondContact O-CG 3.45Å; I146-Q150 PolarHBondContact O-N 2.92Å
147	K	75.4	Confident	69.7	Low	127 Å²	127	65.7 Å²	65.7	55%	0.552	36%	0.362	S	S	*	.	H	α-helix	trans	-61.3	-39.7	175	-77.4	177	-178.6	175	0	111.8	S143 T144 Q150 T151	S143-K147 WeakPolarHBondContact O-CG 3.17Å; S143-K147 PolarHBondContact O-N 3.12Å; T144-K147 PolarHBondContact O-N 3.32Å; K147-Q150 PolarHBondContact O-N 3.4Å; K147-T151 WeakPolarHBondContact O-CB 3.41Å; K147-T151 PolarHBondContact O-N 3.4Å; K147-T151 PolarHBondContact O-OG1 2.99Å
148	I	76.8	Confident	69.9	Low	107 Å²	107	64.9 Å²	64.9	55%	0.549	36%	0.356	S	S	.	.	H	α-helix	trans	-64.2	-42.9	174.2	-66.5	164.1	0	0	0	110.4	T144 G145 I146 Q150 T151 S152	T144-I148 HydrophobicContact CG2-CD1 4.07Å; T144-I148 VanDerWaalsContact O-CG1 3.26Å; T144-I148 WeakPolarHBondContact O-CG1 3.46Å; T144-I148 PolarHBondContact O-N 2.82Å; G145-I148 PolarHBondContact O-N 2.89Å; I146-I148 VanDerWaalsContact C-N 3.3Å; I146-I148 PolarHBondContact O-N 2.68Å; I148-Q150 PolarHBondContact O-N 2.92Å; I148-T151 PolarHBondContact O-N 3.21Å; I148-S152 WeakPolarHBondContact O-CB 3.48Å; I148-S152 PolarHBondContact O-N 3.43Å; I148-S152 PolarHBondContact O-OG 3.45Å
149	L	75.8	Confident	69.9	Low	3 Å²	3	68.1 Å²	68.1	2%	0.016	37%	0.373	C	S	.	.	H	α-helix	trans	-63.9	-36.7	175.3	-68.2	171.3	0	0	0	112.5	W94 L115 L118 G145 I146 S152 R153	W94-L149 HydrophobicContact CD2-CD1 4.38Å; W94-L149 HydrophobicContact CH2-CD1 3.89Å; W94-L149 HydrophobicContact CZ2-CD1 3.52Å; W94-L149 HydrophobicContact CZ2-CG 4.03Å; W94-L149 HydrophobicContact CZ3-CD1 4.45Å; L115-L149 HydrophobicContact CD2-CD1 4.18Å; L118-L149 HydrophobicContact CD2-CD1 3.94Å; G145-L149 VanDerWaalsContact O-CG 3.28Å; G145-L149 WeakPolarHBondContact O-CG 3.33Å; G145-L149 PolarHBondContact O-N 3.25Å; I146-L149 CarbonylContact O-C 3.56Å; I146-L149 WeakPolarHBondContact O-CB 3.36Å; I146-L149 PolarHBondContact O-N 3.24Å; I146-L149 VanDerWaalsContact O-N 3.15Å; L149-S152 WeakPolarHBondContact CA-OG 3.47Å; L149-S152 PolarHBondContact O-OG 2.96Å; L149-R153 PolarHBondContact O-N 3.31Å; L149-R153 VanDerWaalsContact O-N 3.17Å
150	Q	78.4	Confident	70.2	Confident	89 Å²	89	68.9 Å²	68.9	42%	0.416	38%	0.376	S	S	.	.	H	α-helix	trans	-68.9	-41.8	175.9	-75.5	173.9	-12.1	0	0	112.2	S119 I146 K147 I148 S152 R153	S119-Q150 WeakPolarHBondContact O-CG 3.3Å; S119-Q150 PolarHBondContact O-NE2 3.14Å; I146-Q150 HydrophobicContact CG2-CG 4.3Å; I146-Q150 WeakPolarHBondContact O-CB 3.42Å; I146-Q150 WeakPolarHBondContact O-CG 3.45Å; I146-Q150 PolarHBondContact O-N 2.92Å; K147-Q150 PolarHBondContact O-N 3.4Å; I148-Q150 PolarHBondContact O-N 2.92Å; Q150-S152 VanDerWaalsContact C-N 3.32Å; Q150-R153 VanDerWaalsContact O-CB 3.27Å; Q150-R153 WeakPolarHBondContact O-CB 3.45Å; Q150-R153 PolarHBondContact O-N 3.1Å
151	T	72.3	Confident	70.7	Confident	127 Å²	127	66.2 Å²	66.2	78%	0.779	36%	0.362	S	S	*	.	H	α-helix	trans	-70.1	-32.5	-179.7	-46.4	0	0	0	0	111.3	K147 I148	K147-T151 WeakPolarHBondContact O-CB 3.41Å; K147-T151 PolarHBondContact O-N 3.4Å; K147-T151 PolarHBondContact O-OG1 2.99Å; I148-T151 PolarHBondContact O-N 3.21Å
152	S	66.2	Low	70.7	Confident	39 Å²	39	64.5 Å²	64.5	27%	0.273	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-4.7	178.4	56.9	0	0	0	0	114.4	I148 L149 Q150 G154 S155 R156	I148-S152 WeakPolarHBondContact O-CB 3.48Å; I148-S152 PolarHBondContact O-N 3.43Å; I148-S152 PolarHBondContact O-OG 3.45Å; L149-S152 WeakPolarHBondContact CA-OG 3.47Å; L149-S152 PolarHBondContact O-OG 2.96Å; Q150-S152 VanDerWaalsContact C-N 3.32Å; S152-G154 PolarHBondContact O-N 2.81Å; S152-S155 PolarHBondContact O-N 3.24Å; S152-R156 WeakPolarHBondContact O-CG 3.38Å; S152-R156 PolarHBondContact O-N 3.39Å
153	R	64.2	Low	70.9	Confident	109 Å²	109	70.5 Å²	70.5	41%	0.411	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-27	-169.2	-172	171.6	167.1	-166.6	-10.1	115.5	R120 L149 Q150	R120-R153 VanDerWaalsContact NH2-NH2 3.15Å; L149-R153 PolarHBondContact O-N 3.31Å; L149-R153 VanDerWaalsContact O-N 3.17Å; Q150-R153 VanDerWaalsContact O-CB 3.27Å; Q150-R153 WeakPolarHBondContact O-CB 3.45Å; Q150-R153 PolarHBondContact O-N 3.1Å
154	G	57.1	Low	71.1	Confident	87 Å²	87	70.8 Å²	70.8	90%	0.897	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-8.2	176.3	0	0	0	0	0	115.4	S152	S152-G154 PolarHBondContact O-N 2.81Å
155	S	54.6	Low	71.3	Confident	97 Å²	97	67.4 Å²	67.4	68%	0.678	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121	1	-175.4	178.2	0	0	0	0	113.2	S152 D157	S152-S155 PolarHBondContact O-N 3.24Å; S155-D157 PolarHBondContact O-N 2.93Å; S155-D157 VanDerWaalsContact O-N 3.1Å
156	R	67	Low	71.4	Confident	40 Å²	40	73.7 Å²	73.7	15%	0.151	38%	0.379	C	S	.	.			trans	-81	88.2	177.2	-67.2	-171.2	-36.3	-172.9	14	109.7	L115 D116 S152	L115-R156 PolarHBondContact O-NH1 3.21Å; L115-R156 PolarHBondContact O-NH2 2.86Å; D116-R156 IonicContact OD1-CZ 2.98Å; D116-R156 IonicContact OD1-NH2 3.96Å; D116-R156 PolarHBondContact OD1-NH2 3.16Å; D116-R156 IonicContact OD2-NH2 2.98Å; S152-R156 WeakPolarHBondContact O-CG 3.38Å; S152-R156 PolarHBondContact O-N 3.39Å
157	D	61.3	Low	71.4	Confident	122 Å²	122	76.1 Å²	76.1	65%	0.652	40%	0.396	S	S	*	.			trans	-72.3	159	167.1	-72.6	-26.3	0	0	0	110.8	S155 D159 Y160	S155-D157 PolarHBondContact O-N 2.93Å; S155-D157 VanDerWaalsContact O-N 3.1Å; D157-D159 HydrophobicContact CB-CB 4.46Å; D157-D159 PolarHBondContact O-N 3.36Å; D157-Y160 WeakPolarHBondContact O-CB 3.4Å; D157-Y160 PolarHBondContact O-N 3.14Å
158	Q	64.1	Low	71.4	Confident	87 Å²	87	70.2 Å²	70.2	41%	0.407	37%	0.371	S	S	.	.	H	α-helix	trans	-50.3	-25.5	176.4	-163.4	172.4	-8.4	0	0	112.5	Y160 E161 I162	Q158-Y160 VanDerWaalsContact C-N 3.31Å; Q158-Y160 PolarHBondContact O-N 2.82Å; Q158-E161 PolarHBondContact O-N 3.45Å; Q158-I162 HydrophobicContact CG-CD1 4.2Å; Q158-I162 WeakPolarHBondContact O-CD1 3.23Å; Q158-I162 VanDerWaalsContact O-CG1 3.27Å; Q158-I162 WeakPolarHBondContact O-CG1 3.47Å; Q158-I162 PolarHBondContact O-N 3.41Å
159	D	68.3	Low	71	Confident	84 Å²	84	65.8 Å²	65.8	45%	0.449	35%	0.35	S	S	.	.	H	α-helix	trans	-59.5	-31.4	173.5	-165.2	55.2	0	0	0	114.3	D157 R163	D157-D159 HydrophobicContact CB-CB 4.46Å; D157-D159 PolarHBondContact O-N 3.36Å; D159-R163 WeakPolarHBondContact O-CG 3.43Å; D159-R163 PolarHBondContact O-N 2.8Å; D159-R163 IonicContact OD2-CZ 3.31Å; D159-R163 IonicContact OD2-NH1 2.79Å; D159-R163 PolarHBondContact OD2-NH1 3.44Å; D159-R163 IonicContact OD2-NH2 2.89Å
160	Y	75.8	Confident	70.7	Confident	80 Å²	80	71.3 Å²	71.3	31%	0.314	38%	0.376	S	S	.	.	H	α-helix	trans	-70	-43.3	175.8	178.7	-98.2	0	0	0	112.3	L115 D157 Q158 R163 L164	L115-Y160 HydrophobicContact CD1-CE1 4.5Å; D157-Y160 WeakPolarHBondContact O-CB 3.4Å; D157-Y160 PolarHBondContact O-N 3.14Å; Q158-Y160 VanDerWaalsContact C-N 3.31Å; Q158-Y160 PolarHBondContact O-N 2.82Å; Y160-R163 PolarHBondContact O-N 3.07Å; Y160-L164 HydrophobicContact CD1-CD1 3.98Å; Y160-L164 HydrophobicContact CE1-CD1 3.43Å; Y160-L164 VanDerWaalsContact CE1-CD1 3.43Å; Y160-L164 PolarHBondContact O-N 2.81Å
161	E	76.6	Confident	70.2	Confident	13 Å²	13	73.7 Å²	73.7	6%	0.061	38%	0.381	C	S	.	.	H	α-helix	trans	-68.1	-39.8	176.7	-64.3	-176.5	153.7	0	0	110.7	L86 R87 A90 Q158 R163 L164 V165	L86-E161 HydrophobicContact CD2-CB 3.48Å; L86-E161 VanDerWaalsContact CD2-CB 3.48Å; R87-E161 WeakPolarHBondContact CG-OE2 3.41Å; R87-E161 IonicContact NE-OE2 2.93Å; A90-E161 HydrophobicContact CB-CB 3.82Å; A90-E161 HydrophobicContact CB-CG 4.11Å; Q158-E161 PolarHBondContact O-N 3.45Å; E161-R163 VanDerWaalsContact C-N 3.32Å; E161-R163 PolarHBondContact O-N 3.04Å; E161-L164 PolarHBondContact O-N 2.83Å; E161-V165 WeakPolarHBondContact O-CG2 3.32Å; E161-V165 PolarHBondContact O-N 2.76Å
162	I	74.3	Confident	69.8	Low	38 Å²	38	73.7 Å²	73.7	20%	0.195	37%	0.367	C	S	.	.	H	α-helix	trans	-57.6	-42.8	173	-70.6	163.4	0	0	0	111.5	L59 L86 Q158 V165 R166	L59-I162 HydrophobicContact CD2-CG2 3.94Å; L86-I162 HydrophobicContact CD1-CG1 3.68Å; L86-I162 HydrophobicContact CD2-CG1 4.39Å; Q158-I162 HydrophobicContact CG-CD1 4.2Å; Q158-I162 WeakPolarHBondContact O-CD1 3.23Å; Q158-I162 VanDerWaalsContact O-CG1 3.27Å; Q158-I162 WeakPolarHBondContact O-CG1 3.47Å; Q158-I162 PolarHBondContact O-N 3.41Å; I162-V165 PolarHBondContact O-N 2.73Å; I162-R166 WeakPolarHBondContact O-CB 3.34Å; I162-R166 PolarHBondContact O-N 2.65Å
163	R	78.7	Confident	69.4	Low	137 Å²	137	75.6 Å²	75.6	52%	0.517	37%	0.374	S	S	.	.	H	α-helix	trans	-62.9	-41.1	177	-79.5	-171.8	-67.3	-114.3	-3.6	112.9	D159 Y160 E161 R166 S167	D159-R163 WeakPolarHBondContact O-CG 3.43Å; D159-R163 PolarHBondContact O-N 2.8Å; D159-R163 IonicContact OD2-CZ 3.31Å; D159-R163 IonicContact OD2-NH1 2.79Å; D159-R163 PolarHBondContact OD2-NH1 3.44Å; D159-R163 IonicContact OD2-NH2 2.89Å; Y160-R163 PolarHBondContact O-N 3.07Å; E161-R163 VanDerWaalsContact C-N 3.32Å; E161-R163 PolarHBondContact O-N 3.04Å; R163-R166 PolarHBondContact O-N 2.76Å; R163-S167 PolarHBondContact O-N 3.2Å
164	L	79	Confident	68.8	Low	22 Å²	22	76.4 Å²	76.4	12%	0.115	39%	0.386	C	S	.	.	H	α-helix	trans	-63.4	-45.8	176.1	-84.4	158.4	0	0	0	111.2	A90 E93 L115 Y160 E161 R166 S167 L168	A90-L164 HydrophobicContact CB-CB 4.28Å; E93-L164 HydrophobicContact CB-CD2 4.36Å; E93-L164 HydrophobicContact CG-CD2 4.02Å; L115-L164 HydrophobicContact CD1-CD1 4.08Å; Y160-L164 HydrophobicContact CD1-CD1 3.98Å; Y160-L164 HydrophobicContact CE1-CD1 3.43Å; Y160-L164 VanDerWaalsContact CE1-CD1 3.43Å; Y160-L164 PolarHBondContact O-N 2.81Å; E161-L164 PolarHBondContact O-N 2.83Å; L164-R166 VanDerWaalsContact C-N 3.32Å; L164-R166 PolarHBondContact O-N 2.79Å; L164-S167 WeakPolarHBondContact O-CB 3.47Å; L164-S167 PolarHBondContact O-N 3.45Å; L164-L168 PolarHBondContact O-N 2.77Å
165	V	79.6	Confident	68.7	Low	0 Å²	0	79.6 Å²	79.6	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-64.3	-37.6	177.5	179.3	0	0	0	0	111.5	S58 L59 L86 F89 A90 E161 I162 L168 A169	S58-V165 WeakPolarHBondContact OG-CG1 3.29Å; L59-V165 HydrophobicContact CD1-CG1 4.11Å; L59-V165 HydrophobicContact CD2-CB 4.16Å; L59-V165 HydrophobicContact CD2-CG1 4.01Å; L59-V165 HydrophobicContact CG-CG1 3.88Å; L86-V165 HydrophobicContact CG-CG2 4.32Å; L86-V165 WeakPolarHBondContact O-CG2 3.3Å; F89-V165 HydrophobicContact CB-CG1 4.32Å; F89-V165 HydrophobicContact CB-CG2 3.77Å; A90-V165 HydrophobicContact CB-CG2 4.07Å; E161-V165 WeakPolarHBondContact O-CG2 3.32Å; E161-V165 PolarHBondContact O-N 2.76Å; I162-V165 PolarHBondContact O-N 2.73Å; V165-L168 PolarHBondContact O-N 3.32Å; V165-A169 WeakPolarHBondContact O-CB 3.48Å; V165-A169 PolarHBondContact O-N 2.78Å
166	R	76.2	Confident	68.4	Low	137 Å²	137	80.3 Å²	80.3	52%	0.517	37%	0.368	S	S	.	.	H	α-helix	trans	-62.5	-42.5	173.7	-169.6	179.6	-68.3	168.6	-0	112.2	L59 I162 R163 L164 A169 E170	L59-R166 HydrophobicContact CD1-CB 4.37Å; I162-R166 WeakPolarHBondContact O-CB 3.34Å; I162-R166 PolarHBondContact O-N 2.65Å; R163-R166 PolarHBondContact O-N 2.76Å; L164-R166 VanDerWaalsContact C-N 3.32Å; L164-R166 PolarHBondContact O-N 2.79Å; R166-A169 PolarHBondContact O-N 2.88Å; R166-E170 WeakPolarHBondContact O-CG 3.37Å; R166-E170 PolarHBondContact O-N 3.06Å
167	S	77.2	Confident	67.3	Low	53 Å²	53	88.5 Å²	88.5	37%	0.371	40%	0.399	S	S	.	.	H	α-helix	trans	-59.2	-45.9	173.7	174.9	0	0	0	0	112	R163 L164 A169 E170 R171	R163-S167 PolarHBondContact O-N 3.2Å; L164-S167 WeakPolarHBondContact O-CB 3.47Å; L164-S167 PolarHBondContact O-N 3.45Å; S167-A169 VanDerWaalsContact C-N 3.35Å; S167-A169 PolarHBondContact O-N 2.55Å; S167-E170 PolarHBondContact O-N 3.28Å; S167-R171 WeakPolarHBondContact O-CB 3.44Å; S167-R171 PolarHBondContact O-N 3.21Å
168	L	75.3	Confident	66.7	Low	4 Å²	4	87 Å²	87	2%	0.021	40%	0.398	C	S	.	.	H	α-helix	trans	-62.6	-41.6	177.6	179.9	140.4	0	0	0	111.7	E55 E93 L164 V165 R171 R172	E55-L168 HydrophobicContact CG-CD2 3.55Å; E93-L168 HydrophobicContact CB-CB 3.92Å; E93-L168 HydrophobicContact CB-CD1 3.75Å; E93-L168 HydrophobicContact CB-CG 4.43Å; E93-L168 HydrophobicContact CG-CB 3.87Å; E93-L168 HydrophobicContact CG-CD1 4.42Å; E93-L168 WeakPolarHBondContact OE2-CB 3.25Å; E93-L168 VanDerWaalsContact OE2-CD1 3.3Å; E93-L168 WeakPolarHBondContact OE2-CD1 3.39Å; L164-L168 PolarHBondContact O-N 2.77Å; V165-L168 PolarHBondContact O-N 3.32Å; L168-R171 PolarHBondContact O-N 3.17Å; L168-R172 PolarHBondContact O-N 2.84Å
169	A	70.3	Confident	66	Low	14 Å²	14	87.1 Å²	87.1	12%	0.116	41%	0.405	C	S	.	.	H	α-helix	trans	-63.3	-46.2	176.2	0	0	0	0	0	112.1	E55 L59 V165 R166 S167 R171 R172 L173	E55-A169 HydrophobicContact CB-CB 4.22Å; L59-A169 HydrophobicContact CD1-CB 4.22Å; V165-A169 WeakPolarHBondContact O-CB 3.48Å; V165-A169 PolarHBondContact O-N 2.78Å; R166-A169 PolarHBondContact O-N 2.88Å; S167-A169 VanDerWaalsContact C-N 3.35Å; S167-A169 PolarHBondContact O-N 2.55Å; A169-R171 PolarHBondContact O-N 3.39Å; A169-R172 PolarHBondContact O-N 3.03Å; A169-L173 WeakPolarHBondContact O-CB 3.46Å; A169-L173 PolarHBondContact O-N 3.44Å
170	E	68.8	Low	65.2	Low	118 Å²	118	86 Å²	86	55%	0.551	41%	0.408	S	S	*	.	H	α-helix	trans	-63	-40.6	177.7	-76.7	176.1	-168	0	0	112.5	R166 S167 R172 L173 N174	R166-E170 WeakPolarHBondContact O-CG 3.37Å; R166-E170 PolarHBondContact O-N 3.06Å; S167-E170 PolarHBondContact O-N 3.28Å; E170-R172 PolarHBondContact O-N 2.96Å; E170-L173 PolarHBondContact O-N 3.12Å; E170-N174 PolarHBondContact O-N 3.39Å
171	R	66.9	Low	64.1	Low	140 Å²	140	83.9 Å²	83.9	53%	0.528	41%	0.41	S	S	.	.	H	α-helix	trans	-62.7	-44.1	179	-158.9	178.4	-142	158	-2.5	111.9	E93 S167 L168 A169 L173 N174 E175	E93-R171 IonicContact OE1-NH1 2.69Å; E93-R171 PolarHBondContact OE1-NH1 2.79Å; S167-R171 WeakPolarHBondContact O-CB 3.44Å; S167-R171 PolarHBondContact O-N 3.21Å; L168-R171 PolarHBondContact O-N 3.17Å; A169-R171 PolarHBondContact O-N 3.39Å; R171-L173 VanDerWaalsContact C-N 3.35Å; R171-N174 PolarHBondContact O-N 2.92Å; R171-E175 PolarHBondContact O-N 3.13Å
172	R	64.8	Low	62.8	Low	127 Å²	127	86.5 Å²	86.5	48%	0.479	43%	0.434	S	S	.	.	H	α-helix	trans	-73.4	-24.9	176.3	-71.3	-176.7	177.6	-178.5	1.4	113.1	E55 L168 A169 E170	E55-R172 IonicContact OE1-CZ 2.97Å; E55-R172 IonicContact OE1-NH1 2.76Å; E55-R172 PolarHBondContact OE1-NH1 3.33Å; L168-R172 PolarHBondContact O-N 2.84Å; A169-R172 PolarHBondContact O-N 3.03Å; E170-R172 PolarHBondContact O-N 2.96Å
173	L	57.5	Low	61.7	Low	79 Å²	79	90.7 Å²	90.7	41%	0.414	46%	0.456	S	S	.	.	H	α-helix	trans	-71.9	-36.3	170.1	-107.5	127.8	0	0	0	112.2	A169 E170 R171 E175 K176	A169-L173 WeakPolarHBondContact O-CB 3.46Å; A169-L173 PolarHBondContact O-N 3.44Å; E170-L173 PolarHBondContact O-N 3.12Å; R171-L173 VanDerWaalsContact C-N 3.35Å; L173-E175 VanDerWaalsContact C-N 3.34Å; L173-E175 PolarHBondContact O-N 2.92Å; L173-K176 HydrophobicContact CD2-CD 4.31Å; L173-K176 WeakPolarHBondContact O-CB 3.4Å; L173-K176 WeakPolarHBondContact O-CG 3.27Å; L173-K176 PolarHBondContact O-N 2.73Å; L173-K176 VanDerWaalsContact O-N 3.13Å
174	N	52.2	Low	60.5	Low	125 Å²	125	90 Å²	90	67%	0.668	46%	0.462	S	S	*	.	H	α-helix	trans	-70.9	-24.1	177.2	-89.1	-18.4	0	0	0	113.9	E170 R171 K176 W177	E170-N174 PolarHBondContact O-N 3.39Å; R171-N174 PolarHBondContact O-N 2.92Å; N174-K176 PolarHBondContact O-N 2.84Å; N174-K176 VanDerWaalsContact O-N 3.12Å; N174-W177 PolarHBondContact O-N 3.23Å
175	E	53.8	Low	59.3	Low	155 Å²	155	96.2 Å²	96.2	72%	0.724	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-10.8	168.3	-75.8	-174.5	153.5	0	0	113.3	R171 L173 W177	R171-E175 PolarHBondContact O-N 3.13Å; L173-E175 VanDerWaalsContact C-N 3.34Å; L173-E175 PolarHBondContact O-N 2.92Å; E175-W177 VanDerWaalsContact C-N 3.28Å; E175-W177 PolarHBondContact O-N 2.84Å
176	K	48.1	Very low	58	Low	112 Å²	112	97.5 Å²	97.5	49%	0.487	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-14.2	176	-68.4	178.4	173.6	175.2	0	114.5	L173 N174 S178	L173-K176 HydrophobicContact CD2-CD 4.31Å; L173-K176 WeakPolarHBondContact O-CB 3.4Å; L173-K176 WeakPolarHBondContact O-CG 3.27Å; L173-K176 PolarHBondContact O-N 2.73Å; L173-K176 VanDerWaalsContact O-N 3.13Å; N174-K176 PolarHBondContact O-N 2.84Å; N174-K176 VanDerWaalsContact O-N 3.12Å; K176-S178 VanDerWaalsContact C-N 3.3Å; K176-S178 PolarHBondContact O-N 2.65Å; K176-S178 VanDerWaalsContact O-N 3.15Å
177	W	44.5	Very low	56.9	Low	212 Å²	212	94.8 Å²	94.8	80%	0.803	50%	0.503	S	S	*	.			trans	-89.1	52.3	178.8	-76.5	90.4	0	0	0	113.9	N174 E175	N174-W177 PolarHBondContact O-N 3.23Å; E175-W177 VanDerWaalsContact C-N 3.28Å; E175-W177 PolarHBondContact O-N 2.84Å
178	S	48.8	Very low	55.8	Low	89 Å²	89	95.8 Å²	95.8	62%	0.622	51%	0.507	S	S	*	.			trans	-106.2	30	164.3	-176.6	0	0	0	0	112.3	K176 A180	K176-S178 VanDerWaalsContact C-N 3.3Å; K176-S178 PolarHBondContact O-N 2.65Å; K176-S178 VanDerWaalsContact O-N 3.15Å; S178-A180 VanDerWaalsContact C-N 3.31Å
179	T	49.4	Very low	54.8	Low	90 Å²	90	98.6 Å²	98.6	55%	0.552	52%	0.524	S	S	*	.	H	α-helix	trans	-73.3	-26.2	166.7	48.4	0	0	0	0	111.7	A182	T179-A182 PolarHBondContact O-N 3.31Å
180	A	51.4	Low	53.9	Low	62 Å²	62	99 Å²	99	51%	0.512	53%	0.528	S	S	.	.	H	α-helix	trans	-66.9	-33.4	174.8	0	0	0	0	0	113.2	S178 A182 L183 L184	S178-A180 VanDerWaalsContact C-N 3.31Å; A180-A182 VanDerWaalsContact C-N 3.35Å; A180-A182 PolarHBondContact O-N 2.97Å; A180-L183 PolarHBondContact O-N 3.36Å; A180-L184 PolarHBondContact O-N 3.03Å
181	G	52.9	Low	53	Low	35 Å²	35	99 Å²	99	36%	0.361	53%	0.531	S	S	.	.	H	α-helix	trans	-67.5	-32	177.9	0	0	0	0	0	113.7	F185	G181-F185 PolarHBondContact O-N 2.88Å; G181-F185 VanDerWaalsContact O-N 3.11Å
182	A	50	Low	52.3	Low	67 Å²	67	97 Å²	97	55%	0.554	54%	0.537	S	S	*	.	H	α-helix	trans	-72	-35.1	178.5	0	0	0	0	0	112.7	T179 A180 G186	T179-A182 PolarHBondContact O-N 3.31Å; A180-A182 VanDerWaalsContact C-N 3.35Å; A180-A182 PolarHBondContact O-N 2.97Å; A182-G186 PolarHBondContact O-N 2.83Å
183	L	50	Low	51.7	Low	127 Å²	127	95.7 Å²	95.7	67%	0.665	54%	0.535	S	S	*	.	H	α-helix	trans	-68.3	-42.2	174.2	-101	155.6	0	0	0	111.9	A180 F185 G186 C187	A180-L183 PolarHBondContact O-N 3.36Å; L183-F185 PolarHBondContact O-N 3.11Å; L183-G186 PolarHBondContact O-N 2.82Å; L183-C187 WeakPolarHBondContact O-CB 3.4Å; L183-C187 PolarHBondContact O-N 2.79Å; L183-C187 PolarHBondContact O-SG 3.05Å
184	L	54.1	Low	51.3	Low	123 Å²	123	98.1 Å²	98.1	64%	0.644	55%	0.548	S	S	*	.	H	α-helix	trans	-64.4	-39	176.6	-83.1	159.9	0	0	0	112.5	A180 T188	A180-L184 PolarHBondContact O-N 3.03Å; L184-T188 WeakPolarHBondContact O-CG2 3.5Å; L184-T188 PolarHBondContact O-N 2.81Å; L184-T188 VanDerWaalsContact O-N 3.13Å; L184-T188 PolarHBondContact O-OG1 3.45Å
185	F	52.9	Low	51.3	Low	151 Å²	151	98.5 Å²	98.5	66%	0.662	55%	0.548	S	S	*	.	H	α-helix	trans	-72.3	-38.9	177	-165.3	-100.9	0	0	0	112.4	G181 L183 T188 V189	G181-F185 PolarHBondContact O-N 2.88Å; G181-F185 VanDerWaalsContact O-N 3.11Å; L183-F185 PolarHBondContact O-N 3.11Å; F185-T188 WeakPolarHBondContact CA-OG1 3.45Å; F185-T188 PolarHBondContact O-OG1 2.88Å; F185-V189 HydrophobicContact CD1-CG2 4.4Å; F185-V189 HydrophobicContact CE1-CG2 4.14Å; F185-V189 HydrophobicContact CZ-CG2 4.37Å; F185-V189 WeakPolarHBondContact O-CG2 3.41Å; F185-V189 PolarHBondContact O-N 2.89Å; F185-V189 VanDerWaalsContact O-N 3.16Å
186	G	52.6	Low	51	Low	28 Å²	28	98.9 Å²	98.9	29%	0.289	54%	0.543	S	S	.	.	H	α-helix	trans	-63.7	-41.2	173.6	0	0	0	0	0	113.4	A182 L183 A190	A182-G186 PolarHBondContact O-N 2.83Å; L183-G186 PolarHBondContact O-N 2.82Å; G186-A190 WeakPolarHBondContact O-CB 3.36Å; G186-A190 PolarHBondContact O-N 3.49Å; G186-A190 VanDerWaalsContact O-N 3.12Å
187	C	53.2	Low	51.1	Low	79 Å²	79	100.5 Å²	100.5	53%	0.534	56%	0.557	S	S	.	*	H	α-helix	trans	-68.8	-37.4	178.2	-74.4	0	0	0	0	113	L183 A190 L191	L183-C187 WeakPolarHBondContact O-CB 3.4Å; L183-C187 PolarHBondContact O-N 2.79Å; L183-C187 PolarHBondContact O-SG 3.05Å; C187-A190 PolarHBondContact O-N 3.35Å; C187-L191 WeakPolarHBondContact O-CB 3.3Å; C187-L191 PolarHBondContact O-N 3.1Å
188	T	53.8	Low	51.1	Low	75 Å²	75	97.7 Å²	97.7	46%	0.46	56%	0.557	S	S	.	*	H	α-helix	trans	-70.6	-38.3	178.8	41.1	0	0	0	0	112.3	L184 F185 L191 C192	L184-T188 WeakPolarHBondContact O-CG2 3.5Å; L184-T188 PolarHBondContact O-N 2.81Å; L184-T188 VanDerWaalsContact O-N 3.13Å; L184-T188 PolarHBondContact O-OG1 3.45Å; F185-T188 WeakPolarHBondContact CA-OG1 3.45Å; F185-T188 PolarHBondContact O-OG1 2.88Å; T188-L191 PolarHBondContact O-N 3.14Å; T188-C192 PolarHBondContact O-N 2.87Å; T188-C192 PolarHBondContact O-SG 3.46Å
189	V	54.4	Low	50.7	Low	62 Å²	62	99 Å²	99	38%	0.376	56%	0.555	S	S	.	*	H	α-helix	trans	-68.7	-38.1	174.6	175.8	0	0	0	0	111.4	F185 C192 F193	F185-V189 HydrophobicContact CD1-CG2 4.4Å; F185-V189 HydrophobicContact CE1-CG2 4.14Å; F185-V189 HydrophobicContact CZ-CG2 4.37Å; F185-V189 WeakPolarHBondContact O-CG2 3.41Å; F185-V189 PolarHBondContact O-N 2.89Å; F185-V189 VanDerWaalsContact O-N 3.16Å; V189-C192 PolarHBondContact O-N 3.07Å; V189-F193 HydrophobicContact CG1-CD2 4.19Å; V189-F193 HydrophobicContact CG1-CE2 4.03Å; V189-F193 VanDerWaalsContact O-CD2 3.3Å; V189-F193 WeakPolarHBondContact O-CD2 3.38Å; V189-F193 PolarHBondContact O-N 2.9Å
190	A	51.5	Low	50.6	Low	24 Å²	24	103.9 Å²	103.9	20%	0.198	57%	0.569	C	S	.	*	H	α-helix	trans	-66.4	-37.1	175.6	0	0	0	0	0	113.3	F5 G186 C187 C192 F193 L194	F5-A190 HydrophobicContact CZ-CB 3.86Å; G186-A190 WeakPolarHBondContact O-CB 3.36Å; G186-A190 PolarHBondContact O-N 3.49Å; G186-A190 VanDerWaalsContact O-N 3.12Å; C187-A190 PolarHBondContact O-N 3.35Å; A190-C192 VanDerWaalsContact C-N 3.31Å; A190-C192 PolarHBondContact O-N 2.88Å; A190-F193 PolarHBondContact O-N 3.35Å; A190-L194 PolarHBondContact O-N 3.41Å
191	L	50.9	Low	50.6	Low	118 Å²	118	111.4 Å²	111.4	62%	0.618	59%	0.585	S	S	*	*	H	α-helix	trans	-64.1	-37.3	176.2	-150.4	88	0	0	0	111.6	C187 T188 F193 L194 I195	C187-L191 WeakPolarHBondContact O-CB 3.3Å; C187-L191 PolarHBondContact O-N 3.1Å; T188-L191 PolarHBondContact O-N 3.14Å; L191-F193 VanDerWaalsContact C-N 3.33Å; L191-F193 PolarHBondContact O-N 3.32Å; L191-L194 PolarHBondContact O-N 3.08Å; L191-I195 WeakPolarHBondContact O-CG1 2.99Å
192	C	51.8	Low	50.5	Low	96 Å²	96	114.3 Å²	114.3	65%	0.649	60%	0.596	S	S	*	*	H	α-helix	trans	-69.2	-26	177.9	-70.2	0	0	0	0	113.6	T188 V189 A190	T188-C192 PolarHBondContact O-N 2.87Å; T188-C192 PolarHBondContact O-SG 3.46Å; V189-C192 PolarHBondContact O-N 3.07Å; A190-C192 VanDerWaalsContact C-N 3.31Å; A190-C192 PolarHBondContact O-N 2.88Å
193	F	50.8	Low	50.5	Low	100 Å²	100	115 Å²	115	44%	0.439	59%	0.589	S	S	.	*	H	α-helix	trans	-87.4	-22.6	176.9	-81.9	-74.7	0	0	0	113.8	F5 V189 A190 L191 I195 R196	F5-F193 HydrophobicContact CE2-CB 4.06Å; V189-F193 HydrophobicContact CG1-CD2 4.19Å; V189-F193 HydrophobicContact CG1-CE2 4.03Å; V189-F193 VanDerWaalsContact O-CD2 3.3Å; V189-F193 WeakPolarHBondContact O-CD2 3.38Å; V189-F193 PolarHBondContact O-N 2.9Å; A190-F193 PolarHBondContact O-N 3.35Å; L191-F193 VanDerWaalsContact C-N 3.33Å; L191-F193 PolarHBondContact O-N 3.32Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-R196 WeakPolarHBondContact O-CB 3.47Å
194	L	49.3	Very low	50.5	Low	130 Å²	130	111.5 Å²	111.5	68%	0.681	58%	0.584	S	S	*	*	H	α-helix	trans	-75.4	-18.6	177.4	-113.2	149.6	0	0	0	113.4	A190 L191 R196	A190-L194 PolarHBondContact O-N 3.41Å; L191-L194 PolarHBondContact O-N 3.08Å; L194-R196 VanDerWaalsContact C-N 3.28Å; L194-R196 PolarHBondContact O-N 3.49Å
195	I	54	Low	50.3	Low	134 Å²	134	108 Å²	108	69%	0.687	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	2.8	179.3	-63.4	169.2	0	0	0	111.8	L191 F193	L191-I195 WeakPolarHBondContact O-CG1 2.99Å; F193-I195 VanDerWaalsContact C-N 3.31Å
196	R	46.2	Very low	50.4	Low	163 Å²	163	105.2 Å²	105.2	62%	0.615	57%	0.569	S	S	*	*	S	Bend	trans	-82.9	-14.9	-170.7	-162.1	163	66.6	171.6	0.7	115.9	F193 L194	F193-R196 WeakPolarHBondContact O-CB 3.47Å; L194-R196 VanDerWaalsContact C-N 3.28Å; L194-R196 PolarHBondContact O-N 3.49Å
197	D	49.9	Very low	50.5	Low	146 Å²	146	106.8 Å²	106.8	78%	0.781	57%	0.573	S	S	*	*	S	Bend	trans	-118.3	21.1	-166.8	-74.6	-17.2	0	0	0	117
198	L	45.5	Very low	50.6	Low	153 Å²	153	107.8 Å²	107.8	80%	0.801	58%	0.577	S	S	*	*	S	Bend	trans	-140.4	118.3	166.8	-147.1	80.8	0	0	0	113.2
199	M	39.6	Very low	50.7	Low	117 Å²	117	107.9 Å²	107.9	58%	0.576	58%	0.58	S	S	*	*			trans	86.4	52.5	167.6	-54	-164	66.6	0	0	118.2	Y201 I203	M199-Y201 VanDerWaalsContact C-N 3.27Å; M199-Y201 PolarHBondContact O-N 2.86Å; M199-I203 HydrophobicContact CB-CD1 4.19Å
200	F	48.5	Very low	51	Low	191 Å²	191	108.8 Å²	108.8	84%	0.838	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.3	94.4	137.4	-98	-97	0	0	0	109.1
201	Y	50.8	Low	51.5	Low	221 Å²	221	112.4 Å²	112.4	87%	0.867	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	167.3	-9.1	135.3	-107.4	-86.9	0	0	0	115.1	M199	M199-Y201 VanDerWaalsContact C-N 3.27Å; M199-Y201 PolarHBondContact O-N 2.86Å
202	V	49.9	Very low	51.8	Low	96 Å²	96	109.1 Å²	109.1	58%	0.582	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.4	-18.9	-179.9	-178.4	0	0	0	0	113.4
203	I	51.8	Low	52.5	Low	80 Å²	80	110.3 Å²	110.3	41%	0.41	58%	0.581	S	S	.	*	H	α-helix	trans	-85.7	-19.3	-171	-65.6	176.1	0	0	0	113.4	M199 G205 I206 T207	M199-I203 HydrophobicContact CB-CD1 4.19Å; I203-G205 VanDerWaalsContact C-N 3.27Å; I203-G205 PolarHBondContact O-N 2.76Å; I203-I206 PolarHBondContact O-N 2.64Å; I203-I206 VanDerWaalsContact O-N 3.07Å; I203-T207 HydrophobicContact CG2-CG2 3.4Å; I203-T207 PolarHBondContact O-N 2.84Å; I203-T207 PolarHBondContact O-OG1 3.19Å
204	G	48.8	Very low	53.2	Low	55 Å²	55	112.1 Å²	112.1	57%	0.567	59%	0.589	S	S	*	*	H	α-helix	trans	-60.2	-31.7	-179.2	0	0	0	0	0	114.5	V208	G204-V208 WeakPolarHBondContact O-CG2 3.13Å
205	G	51	Low	53.9	Low	50 Å²	50	113 Å²	113	52%	0.515	59%	0.588	S	S	.	*	H	α-helix	trans	-80.1	-31.4	174.9	0	0	0	0	0	113.5	I203 S209	I203-G205 VanDerWaalsContact C-N 3.27Å; I203-G205 PolarHBondContact O-N 2.76Å; G205-S209 WeakPolarHBondContact O-CB 3.46Å; G205-S209 PolarHBondContact O-N 3.22Å; G205-S209 PolarHBondContact O-OG 2.86Å
206	I	53.7	Low	54.3	Low	92 Å²	92	109.8 Å²	109.8	47%	0.472	57%	0.574	S	S	.	*	H	α-helix	trans	-84.6	-35.2	-176.3	-62.2	176.8	0	0	0	111.1	I203 S209 I210	I203-I206 PolarHBondContact O-N 2.64Å; I203-I206 VanDerWaalsContact O-N 3.07Å; I206-S209 CarbonylContact O-C 3.59Å; I206-S209 PolarHBondContact O-N 3.22Å; I206-I210 HydrophobicContact CG2-CD1 3.53Å; I206-I210 HydrophobicContact CG2-CG1 4.05Å; I206-I210 WeakPolarHBondContact O-CB 3.43Å; I206-I210 VanDerWaalsContact O-CG1 3.25Å; I206-I210 WeakPolarHBondContact O-CG1 3.42Å; I206-I210 PolarHBondContact O-N 3.46Å
207	T	54.7	Low	55.5	Low	61 Å²	61	105 Å²	105	37%	0.374	56%	0.561	S	S	.	*	H	α-helix	trans	-70.5	-37.7	175.8	43.3	0	0	0	0	112.6	I203 S209 I210 I211	I203-T207 HydrophobicContact CG2-CG2 3.4Å; I203-T207 PolarHBondContact O-N 2.84Å; I203-T207 PolarHBondContact O-OG1 3.19Å; T207-S209 VanDerWaalsContact C-N 3.29Å; T207-S209 PolarHBondContact O-N 2.95Å; T207-I210 PolarHBondContact O-N 3.43Å; T207-I211 VanDerWaalsContact O-CB 3.24Å; T207-I211 WeakPolarHBondContact O-CB 3.22Å; T207-I211 WeakPolarHBondContact O-CD1 3.47Å; T207-I211 WeakPolarHBondContact O-CG1 3.5Å; T207-I211 PolarHBondContact O-N 2.82Å
208	V	55.6	Low	56.3	Low	100 Å²	100	104.1 Å²	104.1	61%	0.606	55%	0.55	S	S	*	.	H	α-helix	trans	-64.4	-39	171.9	176.8	0	0	0	0	110.3	G204 A212	G204-V208 WeakPolarHBondContact O-CG2 3.13Å; V208-A212 WeakPolarHBondContact O-CB 3.48Å; V208-A212 PolarHBondContact O-N 2.99Å
209	S	55.4	Low	57.3	Low	77 Å²	77	102.9 Å²	102.9	54%	0.538	54%	0.538	S	S	.	.	H	α-helix	trans	-70.3	-37.9	176.5	-60.6	0	0	0	0	113.2	G205 I206 T207 F213	G205-S209 WeakPolarHBondContact O-CB 3.46Å; G205-S209 PolarHBondContact O-N 3.22Å; G205-S209 PolarHBondContact O-OG 2.86Å; I206-S209 CarbonylContact O-C 3.59Å; I206-S209 PolarHBondContact O-N 3.22Å; T207-S209 VanDerWaalsContact C-N 3.29Å; T207-S209 PolarHBondContact O-N 2.95Å; S209-F213 WeakPolarHBondContact O-CA 3.49Å; S209-F213 WeakPolarHBondContact O-CB 3.19Å; S209-F213 PolarHBondContact O-N 3.35Å
210	I	61.8	Low	58.5	Low	81 Å²	81	102.1 Å²	102.1	42%	0.415	54%	0.536	S	S	.	.	H	α-helix	trans	-74.8	-40	178	-71.5	175.2	0	0	0	110.9	I206 T207 F213 F214	I206-I210 HydrophobicContact CG2-CD1 3.53Å; I206-I210 HydrophobicContact CG2-CG1 4.05Å; I206-I210 WeakPolarHBondContact O-CB 3.43Å; I206-I210 VanDerWaalsContact O-CG1 3.25Å; I206-I210 WeakPolarHBondContact O-CG1 3.42Å; I206-I210 PolarHBondContact O-N 3.46Å; T207-I210 PolarHBondContact O-N 3.43Å; I210-F213 CarbonylContact O-C 3.58Å; I210-F213 WeakPolarHBondContact O-CB 3.26Å; I210-F213 PolarHBondContact O-N 3.24Å; I210-F214 HydrophobicContact CG2-CD2 3.63Å; I210-F214 HydrophobicContact CG2-CE2 3.73Å; I210-F214 VanDerWaalsContact O-CD2 3.29Å; I210-F214 WeakPolarHBondContact O-CD2 3.36Å; I210-F214 PolarHBondContact O-N 3.16Å
211	I	62.3	Low	59.4	Low	100 Å²	100	96.8 Å²	96.8	51%	0.513	52%	0.522	S	S	.	.	H	α-helix	trans	-66.3	-44.2	173.7	-67.4	167.7	0	0	0	109.4	T207 F213 F214 F215	T207-I211 VanDerWaalsContact O-CB 3.24Å; T207-I211 WeakPolarHBondContact O-CB 3.22Å; T207-I211 WeakPolarHBondContact O-CD1 3.47Å; T207-I211 WeakPolarHBondContact O-CG1 3.5Å; T207-I211 PolarHBondContact O-N 2.82Å; I211-F213 VanDerWaalsContact C-N 3.28Å; I211-F213 PolarHBondContact O-N 3.49Å; I211-F214 PolarHBondContact O-N 2.95Å; I211-F215 HydrophobicContact CG2-CD2 3.75Å; I211-F215 HydrophobicContact CG2-CE2 4.02Å; I211-F215 WeakPolarHBondContact O-CB 3.37Å; I211-F215 WeakPolarHBondContact O-CD2 3.22Å; I211-F215 PolarHBondContact O-N 3.29Å
212	A	57.1	Low	59.8	Low	48 Å²	48	90.5 Å²	90.5	40%	0.397	50%	0.5	S	S	.	.	H	α-helix	trans	-61.7	-35.7	171.9	0	0	0	0	0	111.8	V208 T216	V208-A212 WeakPolarHBondContact O-CB 3.48Å; V208-A212 PolarHBondContact O-N 2.99Å; A212-T216 WeakPolarHBondContact O-CB 3.24Å; A212-T216 WeakPolarHBondContact O-CG2 3.14Å; A212-T216 PolarHBondContact O-N 3.2Å; A212-T216 PolarHBondContact O-OG1 3.4Å
213	F	66.6	Low	60.4	Low	122 Å²	122	88 Å²	88	54%	0.535	48%	0.483	S	S	.	.	H	α-helix	trans	-68.9	-42.4	176.3	-173.5	-106.6	0	0	0	112.6	S209 I210 I211 T216 I217	S209-F213 WeakPolarHBondContact O-CA 3.49Å; S209-F213 WeakPolarHBondContact O-CB 3.19Å; S209-F213 PolarHBondContact O-N 3.35Å; I210-F213 CarbonylContact O-C 3.58Å; I210-F213 WeakPolarHBondContact O-CB 3.26Å; I210-F213 PolarHBondContact O-N 3.24Å; I211-F213 VanDerWaalsContact C-N 3.28Å; I211-F213 PolarHBondContact O-N 3.49Å; F213-T216 WeakPolarHBondContact CA-OG1 3.28Å; F213-T216 PolarHBondContact O-N 3.14Å; F213-T216 PolarHBondContact O-OG1 2.94Å; F213-I217 HydrophobicContact CD1-CD1 3.68Å; F213-I217 HydrophobicContact CD2-CD1 4.42Å; F213-I217 HydrophobicContact CE1-CD1 3.21Å; F213-I217 HydrophobicContact CE1-CG1 4.35Å; F213-I217 HydrophobicContact CE2-CD1 4.02Å; F213-I217 HydrophobicContact CG-CD1 4.28Å; F213-I217 HydrophobicContact CZ-CD1 3.42Å; F213-I217 VanDerWaalsContact CZ-CD1 3.42Å; F213-I217 HydrophobicContact CZ-CG1 4.36Å; F213-I217 VanDerWaalsContact O-CB 3.3Å; F213-I217 WeakPolarHBondContact O-CB 3.23Å; F213-I217 VanDerWaalsContact O-CG1 3.29Å; F213-I217 WeakPolarHBondContact O-CG1 3.19Å; F213-I217 PolarHBondContact O-N 3.11Å
214	F	65.9	Low	61	Low	138 Å²	138	86.5 Å²	86.5	61%	0.605	48%	0.483	S	S	*	.	H	α-helix	trans	-71.7	-37	174.9	-86.4	-74.5	0	0	0	112.3	I210 I211 K218	I210-F214 HydrophobicContact CG2-CD2 3.63Å; I210-F214 HydrophobicContact CG2-CE2 3.73Å; I210-F214 VanDerWaalsContact O-CD2 3.29Å; I210-F214 WeakPolarHBondContact O-CD2 3.36Å; I210-F214 PolarHBondContact O-N 3.16Å; I211-F214 PolarHBondContact O-N 2.95Å; F214-K218 WeakPolarHBondContact O-CB 3.32Å; F214-K218 PolarHBondContact O-N 2.8Å
215	F	62.6	Low	61.6	Low	147 Å²	147	86.8 Å²	86.8	65%	0.645	48%	0.48	S	S	*	.	H	α-helix	trans	-67.6	-39.3	172.1	-94.2	-86.1	0	0	0	111.7	I211 F219	I211-F215 HydrophobicContact CG2-CD2 3.75Å; I211-F215 HydrophobicContact CG2-CE2 4.02Å; I211-F215 WeakPolarHBondContact O-CB 3.37Å; I211-F215 WeakPolarHBondContact O-CD2 3.22Å; I211-F215 PolarHBondContact O-N 3.29Å; F215-F219 WeakPolarHBondContact O-CB 3.4Å; F215-F219 PolarHBondContact O-N 2.9Å
216	T	62.8	Low	61.8	Low	67 Å²	67	89.8 Å²	89.8	41%	0.411	48%	0.476	S	S	.	.	H	α-helix	trans	-71.1	-37.3	176	49.5	0	0	0	0	111.8	A212 F213 F219 L220	A212-T216 WeakPolarHBondContact O-CB 3.24Å; A212-T216 WeakPolarHBondContact O-CG2 3.14Å; A212-T216 PolarHBondContact O-N 3.2Å; A212-T216 PolarHBondContact O-OG1 3.4Å; F213-T216 WeakPolarHBondContact CA-OG1 3.28Å; F213-T216 PolarHBondContact O-N 3.14Å; F213-T216 PolarHBondContact O-OG1 2.94Å; T216-F219 PolarHBondContact O-N 3.41Å; T216-L220 WeakPolarHBondContact O-CB 3.34Å; T216-L220 WeakPolarHBondContact O-CD1 3.38Å; T216-L220 WeakPolarHBondContact O-CG 3.39Å; T216-L220 PolarHBondContact O-N 3.24Å
217	I	71.3	Confident	62.2	Low	64 Å²	64	87.8 Å²	87.8	33%	0.328	47%	0.465	S	S	.	.	H	α-helix	trans	-67	-45.1	172	-76.2	178	0	0	0	111.1	F213 F219 L220 C221	F213-I217 HydrophobicContact CD1-CD1 3.68Å; F213-I217 HydrophobicContact CD2-CD1 4.42Å; F213-I217 HydrophobicContact CE1-CD1 3.21Å; F213-I217 HydrophobicContact CE1-CG1 4.35Å; F213-I217 HydrophobicContact CE2-CD1 4.02Å; F213-I217 HydrophobicContact CG-CD1 4.28Å; F213-I217 HydrophobicContact CZ-CD1 3.42Å; F213-I217 VanDerWaalsContact CZ-CD1 3.42Å; F213-I217 HydrophobicContact CZ-CG1 4.36Å; F213-I217 VanDerWaalsContact O-CB 3.3Å; F213-I217 WeakPolarHBondContact O-CB 3.23Å; F213-I217 VanDerWaalsContact O-CG1 3.29Å; F213-I217 WeakPolarHBondContact O-CG1 3.19Å; F213-I217 PolarHBondContact O-N 3.11Å; I217-F219 VanDerWaalsContact C-N 3.3Å; I217-F219 PolarHBondContact O-N 3.45Å; I217-L220 PolarHBondContact O-N 3.32Å; I217-C221 VanDerWaalsContact O-CB 3.27Å; I217-C221 WeakPolarHBondContact O-CB 3.48Å; I217-C221 PolarHBondContact O-N 2.88Å; I217-C221 PolarHBondContact O-SG 3.47Å
218	K	67	Low	62.5	Low	127 Å²	127	88.1 Å²	88.1	55%	0.552	47%	0.467	S	S	*	.	H	α-helix	trans	-61.7	-43.1	176	-174.4	179.1	177.8	-179.2	0	110.7	F214 C221 E222	F214-K218 WeakPolarHBondContact O-CB 3.32Å; F214-K218 PolarHBondContact O-N 2.8Å; K218-C221 PolarHBondContact O-N 3.32Å; K218-E222 WeakPolarHBondContact CE-OE1 3.18Å; K218-E222 WeakPolarHBondContact O-CB 3.44Å; K218-E222 WeakPolarHBondContact O-CG 3.48Å; K218-E222 PolarHBondContact O-N 3.16Å
219	F	67.1	Low	62.5	Low	126 Å²	126	85.1 Å²	85.1	55%	0.553	45%	0.45	S	S	*	.	H	α-helix	trans	-63.5	-42.7	174.6	-178.8	-99.1	0	0	0	111.8	F215 T216 I217 E222 L223	F215-F219 WeakPolarHBondContact O-CB 3.4Å; F215-F219 PolarHBondContact O-N 2.9Å; T216-F219 PolarHBondContact O-N 3.41Å; I217-F219 VanDerWaalsContact C-N 3.3Å; I217-F219 PolarHBondContact O-N 3.45Å; F219-E222 PolarHBondContact O-N 2.66Å; F219-L223 HydrophobicContact CE1-CD2 4.31Å; F219-L223 WeakPolarHBondContact O-CB 3.35Å; F219-L223 PolarHBondContact O-N 3.07Å
220	L	64.9	Low	62.6	Low	101 Å²	101	83.7 Å²	83.7	53%	0.529	43%	0.434	S	S	.	.	H	α-helix	trans	-68.8	-37.6	177.6	-79.7	163.3	0	0	0	112	T216 I217 L223 A224	T216-L220 WeakPolarHBondContact O-CB 3.34Å; T216-L220 WeakPolarHBondContact O-CD1 3.38Å; T216-L220 WeakPolarHBondContact O-CG 3.39Å; T216-L220 PolarHBondContact O-N 3.24Å; I217-L220 PolarHBondContact O-N 3.32Å; L220-L223 PolarHBondContact O-N 3.41Å; L220-A224 WeakPolarHBondContact O-CB 3.43Å; L220-A224 PolarHBondContact O-N 3.39Å
221	C	65.6	Low	62.5	Low	80 Å²	80	86 Å²	86	54%	0.541	45%	0.447	S	S	.	.	H	α-helix	trans	-69.9	-41.2	174.7	-73.2	0	0	0	0	111.4	I217 K218 A225	I217-C221 VanDerWaalsContact O-CB 3.27Å; I217-C221 WeakPolarHBondContact O-CB 3.48Å; I217-C221 PolarHBondContact O-N 2.88Å; I217-C221 PolarHBondContact O-SG 3.47Å; K218-C221 PolarHBondContact O-N 3.32Å; C221-A225 VanDerWaalsContact O-CB 3.25Å; C221-A225 WeakPolarHBondContact O-CB 3.46Å; C221-A225 PolarHBondContact O-N 2.89Å
222	E	59.7	Low	62.2	Low	88 Å²	88	88.3 Å²	88.3	41%	0.411	46%	0.456	S	S	.	.	H	α-helix	trans	-66.5	-39.1	172.4	-80.6	179.9	-170	0	0	111.6	K218 F219 R226	K218-E222 WeakPolarHBondContact CE-OE1 3.18Å; K218-E222 WeakPolarHBondContact O-CB 3.44Å; K218-E222 WeakPolarHBondContact O-CG 3.48Å; K218-E222 PolarHBondContact O-N 3.16Å; F219-E222 PolarHBondContact O-N 2.66Å; E222-R226 WeakPolarHBondContact O-CB 3.3Å; E222-R226 VanDerWaalsContact O-CG 3.26Å; E222-R226 WeakPolarHBondContact O-CG 3.36Å; E222-R226 PolarHBondContact O-N 3.04Å
223	L	63.8	Low	62	Low	44 Å²	44	91.8 Å²	91.8	23%	0.23	47%	0.468	C	S	.	.	H	α-helix	trans	-66.7	-44.3	175.6	-172	71.8	0	0	0	110.7	F219 L220 R226 I227 V248	F219-L223 HydrophobicContact CE1-CD2 4.31Å; F219-L223 WeakPolarHBondContact O-CB 3.35Å; F219-L223 PolarHBondContact O-N 3.07Å; L220-L223 PolarHBondContact O-N 3.41Å; L223-R226 PolarHBondContact O-N 2.98Å; L223-I227 HydrophobicContact CD2-CD1 4.47Å; L223-I227 HydrophobicContact CG-CD1 3.93Å; L223-I227 WeakPolarHBondContact O-CB 3.43Å; L223-I227 WeakPolarHBondContact O-CG1 3.23Å; L223-I227 PolarHBondContact O-N 3.42Å; L223-V248 HydrophobicContact CD1-CB 4.45Å; L223-V248 HydrophobicContact CD1-CG1 3.99Å; L223-V248 HydrophobicContact CD1-CG2 3.65Å
224	A	63.9	Low	61.3	Low	48 Å²	48	90.4 Å²	90.4	40%	0.397	46%	0.463	S	S	.	.	H	α-helix	trans	-64	-42.4	175.7	0	0	0	0	0	111.4	L220 R226 I227 V228	L220-A224 WeakPolarHBondContact O-CB 3.43Å; L220-A224 PolarHBondContact O-N 3.39Å; A224-R226 VanDerWaalsContact C-N 3.33Å; A224-R226 PolarHBondContact O-N 3.03Å; A224-I227 PolarHBondContact O-N 2.9Å; A224-V228 WeakPolarHBondContact O-CB 3.18Å; A224-V228 VanDerWaalsContact O-CG2 3.24Å; A224-V228 WeakPolarHBondContact O-CG2 3.06Å; A224-V228 PolarHBondContact O-N 3.01Å
225	A	60.5	Low	60.5	Low	61 Å²	61	89.5 Å²	89.5	50%	0.504	46%	0.464	S	S	.	.	H	α-helix	trans	-62.6	-38.7	173.8	0	0	0	0	0	112	C221 S229	C221-A225 VanDerWaalsContact O-CB 3.25Å; C221-A225 WeakPolarHBondContact O-CB 3.46Å; C221-A225 PolarHBondContact O-N 2.89Å; A225-S229 VanDerWaalsContact O-CB 3.24Å; A225-S229 WeakPolarHBondContact O-CB 3.39Å; A225-S229 PolarHBondContact O-N 2.98Å
226	R	56.6	Low	59.7	Low	114 Å²	114	88 Å²	88	43%	0.43	47%	0.469	S	S	.	.	H	α-helix	trans	-68	-38	173.6	-74.2	178.5	-166.3	-167.9	9.2	112.4	E222 L223 A224 F230 Y247 V248	E222-R226 WeakPolarHBondContact O-CB 3.3Å; E222-R226 VanDerWaalsContact O-CG 3.26Å; E222-R226 WeakPolarHBondContact O-CG 3.36Å; E222-R226 PolarHBondContact O-N 3.04Å; L223-R226 PolarHBondContact O-N 2.98Å; A224-R226 VanDerWaalsContact C-N 3.33Å; A224-R226 PolarHBondContact O-N 3.03Å; R226-F230 WeakPolarHBondContact O-CB 3.37Å; R226-F230 PolarHBondContact O-N 2.72Å; R226-Y247 VanDerWaalsContact O-CE1 3.29Å; R226-Y247 WeakPolarHBondContact O-CE1 3.29Å; R226-V248 HydrophobicContact CB-CG2 4.43Å; R226-V248 PolarHBondContact NH1-O 3.14Å; R226-V248 VanDerWaalsContact NH1-O 3.1Å
227	I	61.1	Low	58.9	Low	49 Å²	49	88.6 Å²	88.6	25%	0.251	49%	0.489	S	S	.	.	H	α-helix	trans	-69.4	-42.2	176.1	-70	166.2	0	0	0	111.1	L223 A224 F230 L231 I244	L223-I227 HydrophobicContact CD2-CD1 4.47Å; L223-I227 HydrophobicContact CG-CD1 3.93Å; L223-I227 WeakPolarHBondContact O-CB 3.43Å; L223-I227 WeakPolarHBondContact O-CG1 3.23Å; L223-I227 PolarHBondContact O-N 3.42Å; A224-I227 PolarHBondContact O-N 2.9Å; I227-F230 WeakPolarHBondContact O-CB 3.48Å; I227-F230 PolarHBondContact O-N 3.43Å; I227-L231 HydrophobicContact CG2-CD1 4.08Å; I227-L231 WeakPolarHBondContact O-CG 3.26Å; I227-L231 PolarHBondContact O-N 3.28Å; I227-I244 HydrophobicContact CD1-CG2 4.14Å; I227-I244 HydrophobicContact CG1-CG2 3.69Å
228	V	61.4	Low	58	Low	68 Å²	68	89.5 Å²	89.5	41%	0.412	49%	0.488	S	S	.	.	H	α-helix	trans	-64.7	-42	175.3	170.4	0	0	0	0	110.4	A224 F230 L231 Q232	A224-V228 WeakPolarHBondContact O-CB 3.18Å; A224-V228 VanDerWaalsContact O-CG2 3.24Å; A224-V228 WeakPolarHBondContact O-CG2 3.06Å; A224-V228 PolarHBondContact O-N 3.01Å; V228-F230 VanDerWaalsContact C-N 3.32Å; V228-F230 PolarHBondContact O-N 3.21Å; V228-L231 PolarHBondContact O-N 3.2Å; V228-Q232 HydrophobicContact CG1-CG 4.27Å; V228-Q232 WeakPolarHBondContact O-CB 3.39Å; V228-Q232 VanDerWaalsContact O-CG 3.31Å; V228-Q232 WeakPolarHBondContact O-CG 3.47Å; V228-Q232 PolarHBondContact O-N 3.24Å
229	S	54.8	Low	57.1	Low	37 Å²	37	94.8 Å²	94.8	26%	0.259	51%	0.505	S	S	.	.	H	α-helix	trans	-61.3	-37.7	172.2	172.9	0	0	0	0	112.8	A225 N233 Y247	A225-S229 VanDerWaalsContact O-CB 3.24Å; A225-S229 WeakPolarHBondContact O-CB 3.39Å; A225-S229 PolarHBondContact O-N 2.98Å; S229-N233 WeakPolarHBondContact O-CB 3.44Å; S229-N233 PolarHBondContact O-N 2.89Å; S229-Y247 PolarHBondContact OG-OH 3.47Å; S229-Y247 VanDerWaalsContact OG-OH 3.09Å
230	F	58.4	Low	56.3	Low	47 Å²	47	91 Å²	91	21%	0.206	50%	0.501	C	S	.	.	H	α-helix	trans	-64.5	-40.1	173.9	172.4	-100.5	0	0	0	111.9	R226 I227 V228 I244 Y247	R226-F230 WeakPolarHBondContact O-CB 3.37Å; R226-F230 PolarHBondContact O-N 2.72Å; I227-F230 WeakPolarHBondContact O-CB 3.48Å; I227-F230 PolarHBondContact O-N 3.43Å; V228-F230 VanDerWaalsContact C-N 3.32Å; V228-F230 PolarHBondContact O-N 3.21Å; F230-I244 HydrophobicContact CD1-CG1 4.09Å; F230-I244 HydrophobicContact CE1-CG1 3.89Å; F230-I244 HydrophobicContact CZ-CG1 4.48Å; F230-Y247 HydrophobicContact CB-CD1 3.91Å; F230-Y247 HydrophobicContact CB-CE1 3.91Å; F230-Y247 HydrophobicContact CB-CG 4.26Å; F230-Y247 HydrophobicContact CD2-CD1 4.27Å; F230-Y247 AromaticContact CD2-CD2 3.78Å; F230-Y247 HydrophobicContact CD2-CD2 3.78Å; F230-Y247 HydrophobicContact CD2-CE2 4.3Å; F230-Y247 AromaticContact CD2-CG 3.75Å; F230-Y247 HydrophobicContact CD2-CG 3.75Å; F230-Y247 HydrophobicContact CG-CD1 4.48Å; F230-Y247 HydrophobicContact CG-CG 4.39Å
231	L	59.7	Low	55.5	Low	130 Å²	130	94.9 Å²	94.9	68%	0.681	52%	0.522	S	S	*	.	H	α-helix	trans	-76.1	-25	179.3	-68.6	169.2	0	0	0	113.8	I227 V228	I227-L231 HydrophobicContact CG2-CD1 4.08Å; I227-L231 WeakPolarHBondContact O-CG 3.26Å; I227-L231 PolarHBondContact O-N 3.28Å; V228-L231 PolarHBondContact O-N 3.2Å
232	Q	55.3	Low	55.2	Low	149 Å²	149	96.4 Å²	96.4	70%	0.696	52%	0.517	S	S	*	.	H	α-helix	trans	-91	-19.7	-175.4	-75.6	177.6	-18.2	0	0	115.1	V228	V228-Q232 HydrophobicContact CG1-CG 4.27Å; V228-Q232 WeakPolarHBondContact O-CB 3.39Å; V228-Q232 VanDerWaalsContact O-CG 3.31Å; V228-Q232 WeakPolarHBondContact O-CG 3.47Å; V228-Q232 PolarHBondContact O-N 3.24Å
233	N	52.5	Low	55.4	Low	120 Å²	120	94.7 Å²	94.7	64%	0.642	52%	0.515	S	S	*	.	S	Bend	trans	-115.7	10.4	-165.4	-82.9	-20.2	0	0	0	116.9	S229	S229-N233 WeakPolarHBondContact O-CB 3.44Å; S229-N233 PolarHBondContact O-N 2.89Å
234	E	52	Low	55.4	Low	93 Å²	93	96.2 Å²	96.2	44%	0.435	52%	0.522	S	S	.	.			trans	-114.7	124.6	-179.6	-74.5	-139.2	136	0	0	115.5
235	D	48.6	Very low	55.5	Low	119 Å²	119	100.1 Å²	100.1	64%	0.636	53%	0.528	S	S	*	.			trans	-62.1	139.6	166.4	-94.3	-42.4	0	0	0	111.5	G237 R238	D235-G237 PolarHBondContact O-N 3.2Å; D235-R238 PolarHBondContact O-N 3.43Å; D235-R238 VanDerWaalsContact O-N 3.12Å
236	P	46.2	Very low	55.7	Low	116 Å²	116	99.5 Å²	99.5	75%	0.753	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-55.6	-20.6	-175.4	-25.4	32.2	0	0	0	116.1
237	G	46.8	Very low	56.2	Low	80 Å²	80	96.3 Å²	96.3	83%	0.825	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-80.4	-5	-179.4	0	0	0	0	0	115.8	D235	D235-G237 PolarHBondContact O-N 3.2Å
238	R	51.9	Low	56.7	Low	83 Å²	83	95.5 Å²	95.5	31%	0.313	50%	0.501	S	S	.	.	G	3₁₀ helix	trans	-95.8	4.4	-177.2	-76.3	-175.3	-179.4	177.8	2.8	115.3	D235 G240 G343	D235-R238 PolarHBondContact O-N 3.43Å; D235-R238 VanDerWaalsContact O-N 3.12Å; R238-G240 VanDerWaalsContact C-N 3.3Å; R238-G240 PolarHBondContact O-N 3.02Å; R238-G343 PolarHBondContact NH2-O 2.76Å
239	R	48.3	Very low	57.3	Low	237 Å²	237	99.4 Å²	99.4	89%	0.894	51%	0.509	S	S	*	.			trans	-64.2	84.4	174.8	-84.2	-175.2	175.5	178.3	-0.4	111.7
240	G	50.5	Low	57.9	Low	46 Å²	46	98 Å²	98	47%	0.474	50%	0.5	S	S	.	.	S	Bend	trans	-93.4	153.7	146.1	0	0	0	0	0	108.9	R238 R242	R238-G240 VanDerWaalsContact C-N 3.3Å; R238-G240 PolarHBondContact O-N 3.02Å; G240-R242 VanDerWaalsContact C-N 3.29Å; G240-R242 PolarHBondContact O-N 3.48Å
241	D	47.8	Very low	58.6	Low	183 Å²	183	98 Å²	98	98%	0.979	50%	0.503	S	S	*	.	S	Bend	trans	-53.9	81.2	178.9	-68.8	-36.1	0	0	0	112.7
242	R	59.2	Low	59.3	Low	113 Å²	113	93.6 Å²	93.6	43%	0.426	48%	0.477	S	S	.	.			trans	-123.1	130.3	-178.4	-67.2	-176.6	-178.8	178	1.4	110.1	G240	G240-R242 VanDerWaalsContact C-N 3.29Å; G240-R242 PolarHBondContact O-N 3.48Å
243	S	64.1	Low	60.4	Low	52 Å²	52	87.5 Å²	87.5	36%	0.364	45%	0.449	S	S	.	.			trans	-86.1	155.1	-179.6	74.2	0	0	0	0	111.1	Y245 D246 Y247	S243-Y245 PolarHBondContact O-N 3.07Å; S243-Y245 VanDerWaalsContact O-N 3.14Å; S243-Y245 WeakPolarHBondContact OG-CB 3.26Å; S243-Y245 PolarHBondContact OG-N 3.25Å; S243-D246 PolarHBondContact N-OD2 2.86Å; S243-D246 PolarHBondContact O-N 3.2Å; S243-D246 VanDerWaalsContact OG-CG 3.28Å; S243-D246 PolarHBondContact OG-N 2.71Å; S243-D246 PolarHBondContact OG-OD2 2.68Å; S243-Y247 PolarHBondContact O-N 3.14Å
244	I	64	Low	61.7	Low	75 Å²	75	83.1 Å²	83.1	39%	0.385	43%	0.426	S	S	.	.	H	α-helix	trans	-54.1	-32.1	169.9	-70.6	168.2	0	0	0	111	I227 F230 D246 Y247 V248	I227-I244 HydrophobicContact CD1-CG2 4.14Å; I227-I244 HydrophobicContact CG1-CG2 3.69Å; F230-I244 HydrophobicContact CD1-CG1 4.09Å; F230-I244 HydrophobicContact CE1-CG1 3.89Å; F230-I244 HydrophobicContact CZ-CG1 4.48Å; I244-D246 PolarHBondContact O-N 3.02Å; I244-Y247 PolarHBondContact O-N 2.98Å; I244-V248 HydrophobicContact CG2-CG2 4.34Å; I244-V248 WeakPolarHBondContact O-CG2 3.14Å; I244-V248 PolarHBondContact O-N 3.3Å
245	Y	66	Low	63.2	Low	131 Å²	131	79.3 Å²	79.3	51%	0.514	41%	0.409	S	S	.	.	H	α-helix	trans	-62.4	-39.3	177.4	177.8	-96	0	0	0	112.6	S243 V248 R249	S243-Y245 PolarHBondContact O-N 3.07Å; S243-Y245 VanDerWaalsContact O-N 3.14Å; S243-Y245 WeakPolarHBondContact OG-CB 3.26Å; S243-Y245 PolarHBondContact OG-N 3.25Å; Y245-V248 PolarHBondContact O-N 3.29Å; Y245-R249 VanDerWaalsContact CZ-CZ 3.46Å; Y245-R249 VanDerWaalsContact CZ-NE 3.32Å; Y245-R249 PolarHBondContact O-N 3.24Å; Y245-R249 VanDerWaalsContact O-N 3.12Å; Y245-R249 PolarHBondContact OH-NE 3.22Å; Y245-R249 PolarHBondContact OH-NH1 3.2Å; Y245-R249 PolarHBondContact OH-NH2 2.79Å
246	D	65.1	Low	64.8	Low	48 Å²	48	83.4 Å²	83.4	26%	0.257	42%	0.416	S	S	.	.	H	α-helix	trans	-68.1	-37.6	176.8	-60.9	-50.7	0	0	0	111.8	S243 I244 G250 N251	S243-D246 PolarHBondContact N-OD2 2.86Å; S243-D246 PolarHBondContact O-N 3.2Å; S243-D246 VanDerWaalsContact OG-CG 3.28Å; S243-D246 PolarHBondContact OG-N 2.71Å; S243-D246 PolarHBondContact OG-OD2 2.68Å; I244-D246 PolarHBondContact O-N 3.02Å; D246-G250 PolarHBondContact O-N 3.13Å; D246-N251 HydrophobicContact CB-CB 4.11Å; D246-N251 PolarHBondContact O-N 3.49Å
247	Y	67.4	Low	66.6	Low	46 Å²	46	79.6 Å²	79.6	18%	0.18	39%	0.392	C	S	.	.	H	α-helix	trans	-63.5	-44.9	174.7	-171.9	-98.6	0	0	0	112	R226 S229 F230 S243 I244 R249 G250 Y252	R226-Y247 VanDerWaalsContact O-CE1 3.29Å; R226-Y247 WeakPolarHBondContact O-CE1 3.29Å; S229-Y247 PolarHBondContact OG-OH 3.47Å; S229-Y247 VanDerWaalsContact OG-OH 3.09Å; F230-Y247 HydrophobicContact CB-CD1 3.91Å; F230-Y247 HydrophobicContact CB-CE1 3.91Å; F230-Y247 HydrophobicContact CB-CG 4.26Å; F230-Y247 HydrophobicContact CD2-CD1 4.27Å; F230-Y247 AromaticContact CD2-CD2 3.78Å; F230-Y247 HydrophobicContact CD2-CD2 3.78Å; F230-Y247 HydrophobicContact CD2-CE2 4.3Å; F230-Y247 AromaticContact CD2-CG 3.75Å; F230-Y247 HydrophobicContact CD2-CG 3.75Å; F230-Y247 HydrophobicContact CG-CD1 4.48Å; F230-Y247 HydrophobicContact CG-CG 4.39Å; S243-Y247 PolarHBondContact O-N 3.14Å; I244-Y247 PolarHBondContact O-N 2.98Å; Y247-R249 VanDerWaalsContact C-N 3.34Å; Y247-R249 PolarHBondContact O-N 2.77Å; Y247-G250 PolarHBondContact O-N 3.28Å; Y247-G250 VanDerWaalsContact O-N 3.12Å; Y247-Y252 AromaticContact CD2-CD1 3.84Å; Y247-Y252 HydrophobicContact CD2-CD1 3.84Å; Y247-Y252 AromaticContact CD2-CE1 3.6Å; Y247-Y252 HydrophobicContact CD2-CE1 3.6Å; Y247-Y252 HydrophobicContact CD2-CE2 4.47Å; Y247-Y252 HydrophobicContact CD2-CG 4.34Å; Y247-Y252 AromaticContact CD2-CZ 3.9Å; Y247-Y252 HydrophobicContact CE2-CD1 4.44Å; Y247-Y252 AromaticContact CE2-CE1 3.84Å; Y247-Y252 HydrophobicContact CE2-CE1 3.84Å; Y247-Y252 HydrophobicContact CE2-CE2 4.19Å; Y247-Y252 AromaticContact CE2-CZ 3.65Å; Y247-Y252 HydrophobicContact CG-CD1 4.42Å; Y247-Y252 HydrophobicContact CG-CE1 4.14Å; Y247-Y252 WeakPolarHBondContact O-CE1 3.42Å
248	V	70.5	Confident	68.4	Low	33 Å²	33	75.9 Å²	75.9	20%	0.2	35%	0.353	C	S	.	.	H	α-helix	trans	-66.4	-35.3	-179	173.5	0	0	0	0	112.2	L223 R226 I244 Y245 G250	L223-V248 HydrophobicContact CD1-CB 4.45Å; L223-V248 HydrophobicContact CD1-CG1 3.99Å; L223-V248 HydrophobicContact CD1-CG2 3.65Å; R226-V248 HydrophobicContact CB-CG2 4.43Å; R226-V248 PolarHBondContact NH1-O 3.14Å; R226-V248 VanDerWaalsContact NH1-O 3.1Å; I244-V248 HydrophobicContact CG2-CG2 4.34Å; I244-V248 WeakPolarHBondContact O-CG2 3.14Å; I244-V248 PolarHBondContact O-N 3.3Å; Y245-V248 PolarHBondContact O-N 3.29Å; V248-G250 VanDerWaalsContact C-N 3.28Å
249	R	73.5	Confident	70.1	Confident	149 Å²	149	78 Å²	78	56%	0.562	37%	0.365	S	S	*	.	H	α-helix	trans	-78.3	-7.3	174.6	-77.1	-167.1	170.3	-162.9	-3.2	114.2	Y245 Y247 N251	Y245-R249 VanDerWaalsContact CZ-CZ 3.46Å; Y245-R249 VanDerWaalsContact CZ-NE 3.32Å; Y245-R249 PolarHBondContact O-N 3.24Å; Y245-R249 VanDerWaalsContact O-N 3.12Å; Y245-R249 PolarHBondContact OH-NE 3.22Å; Y245-R249 PolarHBondContact OH-NH1 3.2Å; Y245-R249 PolarHBondContact OH-NH2 2.79Å; Y247-R249 VanDerWaalsContact C-N 3.34Å; Y247-R249 PolarHBondContact O-N 2.77Å; R249-N251 VanDerWaalsContact C-N 3.26Å
250	G	67.9	Low	72.2	Confident	8 Å²	8	68 Å²	68	8%	0.082	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	73	19.2	-174.9	0	0	0	0	0	113.5	D246 Y247 V248 Y252 K283 N284	D246-G250 PolarHBondContact O-N 3.13Å; Y247-G250 PolarHBondContact O-N 3.28Å; Y247-G250 VanDerWaalsContact O-N 3.12Å; V248-G250 VanDerWaalsContact C-N 3.28Å; G250-Y252 PolarHBondContact O-N 3.14Å; G250-K283 PolarHBondContact O-N 2.85Å; G250-N284 PolarHBondContact O-N 2.74Å
251	N	74.1	Confident	74.1	Confident	48 Å²	48	68 Å²	68	26%	0.257	32%	0.322	S	S	.	.			trans	-80.9	44.5	176.4	-67.2	-6.6	0	0	0	111.1	D246 R249 Y282 N284	D246-N251 HydrophobicContact CB-CB 4.11Å; D246-N251 PolarHBondContact O-N 3.49Å; R249-N251 VanDerWaalsContact C-N 3.26Å; N251-Y282 VanDerWaalsContact C-CD1 3.41Å; N251-N284 PolarHBondContact OD1-ND2 3.16Å
252	Y	74.5	Confident	76.2	Confident	37 Å²	37	61.9 Å²	61.9	15%	0.145	29%	0.286	C	S	.	.	S	Bend	trans	-132.8	147.7	173.6	65.2	-87.3	0	0	0	110.3	Y247 G250 D254 Y282 K283	Y247-Y252 AromaticContact CD2-CD1 3.84Å; Y247-Y252 HydrophobicContact CD2-CD1 3.84Å; Y247-Y252 AromaticContact CD2-CE1 3.6Å; Y247-Y252 HydrophobicContact CD2-CE1 3.6Å; Y247-Y252 HydrophobicContact CD2-CE2 4.47Å; Y247-Y252 HydrophobicContact CD2-CG 4.34Å; Y247-Y252 AromaticContact CD2-CZ 3.9Å; Y247-Y252 HydrophobicContact CE2-CD1 4.44Å; Y247-Y252 AromaticContact CE2-CE1 3.84Å; Y247-Y252 HydrophobicContact CE2-CE1 3.84Å; Y247-Y252 HydrophobicContact CE2-CE2 4.19Å; Y247-Y252 AromaticContact CE2-CZ 3.65Å; Y247-Y252 HydrophobicContact CG-CD1 4.42Å; Y247-Y252 HydrophobicContact CG-CE1 4.14Å; Y247-Y252 WeakPolarHBondContact O-CE1 3.42Å; G250-Y252 PolarHBondContact O-N 3.14Å; Y252-D254 PolarHBondContact O-N 2.87Å; Y252-Y282 WeakPolarHBondContact O-CA 3.48Å; Y252-K283 HydrophobicContact CE1-CB 4.24Å; Y252-K283 HydrophobicContact CE1-CD 3.82Å; Y252-K283 HydrophobicContact CE2-CB 4.36Å; Y252-K283 HydrophobicContact CE2-CD 4.01Å; Y252-K283 PolarHBondContact O-N 2.66Å; Y252-K283 WeakPolarHBondContact OH-CD 3.44Å; Y252-K283 PolarHBondContact OH-NZ 2.98Å
253	L	77.3	Confident	77.7	Confident	20 Å²	20	59.5 Å²	59.5	11%	0.105	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-65.5	120	-179.7	-178.1	59.3	0	0	0	109.8	L280 F281 F288 V294 L342	L253-L280 HydrophobicContact CD1-CB 3.96Å; L253-L280 HydrophobicContact CD1-CD2 4.45Å; L253-F281 WeakPolarHBondContact CD1-O 3.5Å; L253-F288 HydrophobicContact CB-CD2 3.87Å; L253-F288 HydrophobicContact CB-CE2 3.93Å; L253-F288 HydrophobicContact CD1-CB 3.97Å; L253-F288 HydrophobicContact CD1-CD1 4.32Å; L253-F288 HydrophobicContact CD1-CD2 4Å; L253-F288 HydrophobicContact CD1-CG 3.82Å; L253-F288 HydrophobicContact CD2-CD1 4.44Å; L253-F288 HydrophobicContact CD2-CE1 4.4Å; L253-F288 HydrophobicContact CD2-CZ 4.44Å; L253-F288 HydrophobicContact CG-CD2 4.36Å; L253-V294 HydrophobicContact CD2-CB 3.95Å; L253-V294 HydrophobicContact CD2-CG1 3.54Å; L253-L342 HydrophobicContact CD1-CD2 3.99Å; L253-L342 HydrophobicContact CD2-CD1 4.1Å; L253-L342 HydrophobicContact CD2-CD2 3.67Å; L253-L342 HydrophobicContact CD2-CG 4.13Å; L253-L342 HydrophobicContact CG-CD2 3.57Å; L253-L342 HydrophobicContact CG-CG 4.48Å
254	D	80.8	Confident	78.8	Confident	28 Å²	28	58.6 Å²	58.6	15%	0.15	27%	0.27	C	S	.	.			trans	-110.9	117.1	-179.6	-175.1	-3	0	0	0	110	Y252 R256 S257 C258 F281 K283	Y252-D254 PolarHBondContact O-N 2.87Å; D254-R256 PolarHBondContact O-N 3.41Å; D254-R256 VanDerWaalsContact O-N 3.15Å; D254-R256 PolarHBondContact OD1-N 3.17Å; D254-S257 PolarHBondContact O-N 2.94Å; D254-C258 PolarHBondContact O-N 3.35Å; D254-C258 PolarHBondContact O-SG 3.06Å; D254-F281 PolarHBondContact N-O 3.15Å; D254-K283 HydrophobicContact CB-CB 3.94Å; D254-K283 HydrophobicContact CB-CG 4.49Å
255	P	83	Confident	79.7	Confident	14 Å²	14	63.8 Å²	63.8	9%	0.091	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-52.8	-34.2	175.8	-25.1	32.7	0	0	0	113.3	S257 C258 L342 L345 V347 A348	P255-S257 VanDerWaalsContact C-N 3.32Å; P255-S257 PolarHBondContact O-N 3.39Å; P255-C258 WeakPolarHBondContact O-CB 3.42Å; P255-C258 PolarHBondContact O-N 2.68Å; P255-L342 HydrophobicContact CB-CB 4.16Å; P255-L342 HydrophobicContact CB-CD2 4.39Å; P255-L342 HydrophobicContact CG-CB 4.07Å; P255-L342 HydrophobicContact CG-CD2 4.19Å; P255-L342 HydrophobicContact CG-CG 4.49Å; P255-L345 HydrophobicContact CB-CB 4.4Å; P255-L345 HydrophobicContact CG-CB 4.08Å; P255-L345 HydrophobicContact CG-CD1 4.42Å; P255-V347 HydrophobicContact CB-CG1 4.44Å; P255-V347 WeakPolarHBondContact O-CA 3.46Å; P255-V347 WeakPolarHBondContact O-CB 3.37Å; P255-A348 PolarHBondContact O-N 2.81Å
256	R	81.6	Confident	80.2	Confident	205 Å²	205	62.2 Å²	62.2	77%	0.774	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-75.8	-20.4	-179.1	-64.6	-175.6	178.6	-178.3	0.3	113.5	D254	D254-R256 PolarHBondContact O-N 3.41Å; D254-R256 VanDerWaalsContact O-N 3.15Å; D254-R256 PolarHBondContact OD1-N 3.17Å
257	S	83.5	Confident	80.8	Confident	36 Å²	36	63.3 Å²	63.3	25%	0.252	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-86.7	-13.3	175.9	-59.3	0	0	0	0	112.5	D254 P255 F281	D254-S257 PolarHBondContact O-N 2.94Å; P255-S257 VanDerWaalsContact C-N 3.32Å; P255-S257 PolarHBondContact O-N 3.39Å; S257-F281 VanDerWaalsContact O-CD2 3.26Å; S257-F281 WeakPolarHBondContact O-CD2 3.35Å
258	C	85.6	Confident	81.6	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.014	30%	0.296	C	S	.	.			trans	-71.4	146.6	178.3	-62.3	0	0	0	0	111.6	D254 P255 Q279 V347	D254-C258 PolarHBondContact O-N 3.35Å; D254-C258 PolarHBondContact O-SG 3.06Å; P255-C258 WeakPolarHBondContact O-CB 3.42Å; P255-C258 PolarHBondContact O-N 2.68Å; C258-Q279 CarbonylContact C-O 3.6Å; C258-Q279 VanDerWaalsContact CA-O 3.25Å; C258-Q279 WeakPolarHBondContact CA-O 3.35Å; C258-Q279 WeakPolarHBondContact CB-O 3.38Å; C258-V347 HydrophobicContact CB-CB 4.31Å; C258-V347 HydrophobicContact CB-CG1 4.21Å
259	K	87.9	Confident	82.3	Confident	127 Å²	127	64.5 Å²	64.5	55%	0.552	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.8	142.4	179.4	-63.3	-179.8	-179.4	176.6	0	110.7	V278 Q279 F281	K259-V278 CarbonylContact O-C 3.58Å; K259-V278 WeakPolarHBondContact O-CA 3.25Å; K259-Q279 HydrophobicContact CB-CB 4.32Å; K259-Q279 PolarHBondContact N-O 3.46Å; K259-Q279 PolarHBondContact O-N 2.66Å; K259-F281 HydrophobicContact CB-CE2 4.41Å; K259-F281 HydrophobicContact CD-CE2 4.06Å; K259-F281 HydrophobicContact CG-CE2 4.12Å
260	V	91.4	Very high	82.8	Confident	26 Å²	26	57.8 Å²	57.8	16%	0.158	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.3	176.1	179.8	0	0	0	0	109.3	W262 F276 R277 V278 V347 Y352	V260-W262 HydrophobicContact CG1-CZ2 4.06Å; V260-F276 HydrophobicContact CG1-CD2 3.65Å; V260-F276 HydrophobicContact CG1-CE2 4.11Å; V260-F276 HydrophobicContact CG1-CG 4.49Å; V260-R277 WeakPolarHBondContact CA-O 3.3Å; V260-V278 HydrophobicContact CG2-CG1 4.44Å; V260-V278 HydrophobicContact CG2-CG2 4.3Å; V260-V347 HydrophobicContact CG2-CG2 3.98Å; V260-Y352 HydrophobicContact CB-CE1 4.49Å; V260-Y352 HydrophobicContact CB-CE2 4.07Å; V260-Y352 VanDerWaalsContact CB-OH 3.3Å; V260-Y352 WeakPolarHBondContact CB-OH 3.36Å; V260-Y352 HydrophobicContact CG1-CE2 4.15Å; V260-Y352 HydrophobicContact CG2-CE2 3.87Å; V260-Y352 WeakPolarHBondContact CG2-OH 3.37Å
261	S	91.3	Very high	83.2	Confident	46 Å²	46	58.2 Å²	58.2	32%	0.322	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	136.3	176	63.2	0	0	0	0	110.7	F276 R277	S261-F276 CarbonylContact O-C 3.6Å; S261-F276 VanDerWaalsContact O-CA 3.31Å; S261-F276 WeakPolarHBondContact O-CA 3.34Å; S261-F276 WeakPolarHBondContact O-CB 3.47Å; S261-R277 PolarHBondContact N-O 3.05Å; S261-R277 PolarHBondContact O-N 3.09Å
262	W	92.6	Very high	83.6	Confident	56 Å²	56	61.4 Å²	61.4	21%	0.212	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	132.4	-176.4	-52.4	96.8	0	0	0	109.9	V260 W264 F276 V338 Y352 K354	V260-W262 HydrophobicContact CG1-CZ2 4.06Å; W262-W264 HydrophobicContact CB-CD2 4.31Å; W262-W264 HydrophobicContact CB-CE3 4.14Å; W262-W264 HydrophobicContact CB-CZ3 4.33Å; W262-W264 HydrophobicContact CD2-CH2 4.02Å; W262-W264 HydrophobicContact CD2-CZ2 4.25Å; W262-W264 HydrophobicContact CD2-CZ3 4.38Å; W262-W264 HydrophobicContact CE3-CE3 4.3Å; W262-W264 AromaticContact CE3-CH2 2.97Å; W262-W264 HydrophobicContact CE3-CH2 2.97Å; W262-W264 AromaticContact CE3-CZ2 3.55Å; W262-W264 HydrophobicContact CE3-CZ2 3.55Å; W262-W264 AromaticContact CE3-CZ3 3.4Å; W262-W264 HydrophobicContact CE3-CZ3 3.4Å; W262-W264 AromaticContact CZ3-CH2 3.32Å; W262-W264 HydrophobicContact CZ3-CH2 3.32Å; W262-W264 AromaticContact CZ3-CZ2 3.98Å; W262-W264 HydrophobicContact CZ3-CZ2 3.98Å; W262-W264 HydrophobicContact CZ3-CZ3 4.05Å; W262-W264 PolarHBondContact O-N 3.25Å; W262-F276 HydrophobicContact CD2-CB 4.14Å; W262-F276 HydrophobicContact CE3-CB 3.37Å; W262-F276 HydrophobicContact CE3-CD1 4.08Å; W262-F276 AromaticContact CE3-CG 3.81Å; W262-F276 HydrophobicContact CE3-CG 3.81Å; W262-F276 HydrophobicContact CH2-CD1 4.47Å; W262-F276 HydrophobicContact CH2-CG 4.45Å; W262-F276 HydrophobicContact CZ3-CB 3.78Å; W262-F276 AromaticContact CZ3-CD1 3.59Å; W262-F276 HydrophobicContact CZ3-CD1 3.59Å; W262-F276 HydrophobicContact CZ3-CD2 4.31Å; W262-F276 HydrophobicContact CZ3-CE1 4.15Å; W262-F276 AromaticContact CZ3-CG 3.65Å; W262-F276 HydrophobicContact CZ3-CG 3.65Å; W262-V338 HydrophobicContact CH2-CB 4.02Å; W262-V338 HydrophobicContact CH2-CG1 3.77Å; W262-V338 HydrophobicContact CH2-CG2 4.18Å; W262-V338 HydrophobicContact CZ3-CG1 4.4Å; W262-Y352 HydrophobicContact CH2-CD2 4.26Å; W262-Y352 HydrophobicContact CH2-CG 4.31Å; W262-Y352 HydrophobicContact CZ2-CD1 4.01Å; W262-Y352 AromaticContact CZ2-CD2 3.8Å; W262-Y352 HydrophobicContact CZ2-CD2 3.8Å; W262-Y352 HydrophobicContact CZ2-CE2 4.46Å; W262-Y352 AromaticContact CZ2-CG 3.55Å; W262-Y352 HydrophobicContact CZ2-CG 3.55Å; W262-K354 VanDerWaalsContact CE2-NZ 3.29Å; W262-K354 HydrophobicContact CH2-CG 4.45Å; W262-K354 VanDerWaalsContact NE1-NZ 3.18Å
263	D	90.2	Very high	83.9	Confident	62 Å²	62	64.3 Å²	64.3	33%	0.332	32%	0.317	S	S	.	.	S	Bend	trans	-87.8	18.8	-178.9	-60.2	-30.4	0	0	0	112.6	T275 R277	D263-T275 WeakPolarHBondContact CB-O 3.18Å; D263-T275 WeakPolarHBondContact CB-OG1 3.47Å; D263-T275 PolarHBondContact N-O 3.41Å; D263-T275 WeakPolarHBondContact OD2-CB 3.39Å; D263-T275 PolarHBondContact OD2-OG1 2.83Å; D263-R277 IonicContact OD1-CZ 3.38Å; D263-R277 VanDerWaalsContact OD1-CZ 3.32Å; D263-R277 IonicContact OD1-NE 3.7Å; D263-R277 PolarHBondContact OD1-NE 3.26Å; D263-R277 IonicContact OD1-NH2 2.77Å; D263-R277 PolarHBondContact OD1-NH2 3.35Å; D263-R277 IonicContact OD2-CZ 2.83Å; D263-R277 IonicContact OD2-NE 3.78Å; D263-R277 PolarHBondContact OD2-NE 3.09Å; D263-R277 VanDerWaalsContact OD2-NE 3.08Å; D263-R277 IonicContact OD2-NH2 2.75Å; D263-R277 PolarHBondContact OD2-NH2 2.89Å
264	W	86.7	Confident	84.4	Confident	34 Å²	34	63.7 Å²	63.7	13%	0.129	31%	0.314	C	S	.	.	S	Bend	trans	-140.3	169.3	179.3	74.4	93	0	0	0	111.9	W262 M274 T275 F276 F328 K354 F356	W262-W264 HydrophobicContact CB-CD2 4.31Å; W262-W264 HydrophobicContact CB-CE3 4.14Å; W262-W264 HydrophobicContact CB-CZ3 4.33Å; W262-W264 HydrophobicContact CD2-CH2 4.02Å; W262-W264 HydrophobicContact CD2-CZ2 4.25Å; W262-W264 HydrophobicContact CD2-CZ3 4.38Å; W262-W264 HydrophobicContact CE3-CE3 4.3Å; W262-W264 AromaticContact CE3-CH2 2.97Å; W262-W264 HydrophobicContact CE3-CH2 2.97Å; W262-W264 AromaticContact CE3-CZ2 3.55Å; W262-W264 HydrophobicContact CE3-CZ2 3.55Å; W262-W264 AromaticContact CE3-CZ3 3.4Å; W262-W264 HydrophobicContact CE3-CZ3 3.4Å; W262-W264 AromaticContact CZ3-CH2 3.32Å; W262-W264 HydrophobicContact CZ3-CH2 3.32Å; W262-W264 AromaticContact CZ3-CZ2 3.98Å; W262-W264 HydrophobicContact CZ3-CZ2 3.98Å; W262-W264 HydrophobicContact CZ3-CZ3 4.05Å; W262-W264 PolarHBondContact O-N 3.25Å; W264-M274 HydrophobicContact CD2-CB 4.35Å; W264-M274 HydrophobicContact CD2-CG 4.34Å; W264-M274 HydrophobicContact CE3-CB 3.82Å; W264-M274 HydrophobicContact CE3-CG 4.3Å; W264-M274 HydrophobicContact CH2-CB 4.24Å; W264-M274 HydrophobicContact CZ3-CB 3.74Å; W264-T275 VanDerWaalsContact CE3-O 3.25Å; W264-T275 VanDerWaalsContact CZ3-O 3.23Å; W264-T275 WeakPolarHBondContact CZ3-O 3.4Å; W264-F276 HydrophobicContact CZ3-CB 4.13Å; W264-F328 AromaticContact CH2-CE1 3.67Å; W264-F328 HydrophobicContact CH2-CE1 3.67Å; W264-F328 AromaticContact CH2-CZ 3.57Å; W264-F328 HydrophobicContact CH2-CZ 3.57Å; W264-F328 HydrophobicContact CZ2-CZ 4.29Å; W264-F328 AromaticContact CZ3-CE1 3.99Å; W264-F328 HydrophobicContact CZ3-CE1 3.99Å; W264-F328 HydrophobicContact CZ3-CZ 4.28Å; W264-K354 HydrophobicContact CZ2-CD 4.1Å; W264-K354 HydrophobicContact CZ2-CG 4.25Å; W264-F356 HydrophobicContact CZ2-CZ 4.27Å
265	K	82	Confident	84.8	Confident	183 Å²	183	63.7 Å²	63.7	80%	0.796	31%	0.314	S	S	*	.			trans	-107.4	142.1	174.3	-66.8	-177.3	179.5	179.5	0	110.2
266	E	77.3	Confident	85.3	Confident	98 Å²	98	63 Å²	63	46%	0.458	31%	0.31	S	S	.	.	S	Bend	trans	-92.2	148.5	177.6	-76.5	172.2	-127.7	0	0	112.5	K354	E266-K354 HydrophobicContact CG-CD 4.47Å; E266-K354 WeakPolarHBondContact OE1-CD 3.25Å; E266-K354 VanDerWaalsContact OE1-CE 3.28Å; E266-K354 WeakPolarHBondContact OE1-CE 2.99Å; E266-K354 IonicContact OE1-NZ 2.72Å; E266-K354 PolarHBondContact OE1-NZ 2.93Å
267	P	76.9	Confident	85.7	Confident	71 Å²	71	58.1 Å²	58.1	46%	0.461	29%	0.292	S	S	.	.	S	Bend	cis	-76.2	150.3	-7.7	30.8	-33.1	0	0	0	112.3	Q357	P267-Q357 HydrophobicContact CB-CG 3.9Å; P267-Q357 VanDerWaalsContact CG-CD 3.48Å; P267-Q357 HydrophobicContact CG-CG 4.34Å; P267-Q357 VanDerWaalsContact CG-NE2 3.35Å
268	Q	84.5	Confident	86.1	Confident	37 Å²	37	56.4 Å²	56.4	17%	0.173	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	141.5	-179.6	-178.8	64.8	38.4	0	0	110.5	Q272 M274 F356 Q357	Q268-Q272 VanDerWaalsContact NE2-OE1 3.11Å; Q268-M274 HydrophobicContact CG-CG 4.17Å; Q268-M274 HydrophobicContact CG-SD 4.48Å; Q268-F356 HydrophobicContact CB-CD1 4.09Å; Q268-F356 HydrophobicContact CB-CE1 4.22Å; Q268-F356 HydrophobicContact CG-CD1 4.43Å; Q268-F356 HydrophobicContact CG-CE1 4.45Å; Q268-F356 CarbonylContact O-C 3.6Å; Q268-F356 VanDerWaalsContact O-CA 3.25Å; Q268-F356 WeakPolarHBondContact O-CA 3.42Å; Q268-Q357 PolarHBondContact O-N 3.49Å
269	E	86.3	Confident	86.3	Confident	67 Å²	67	59.4 Å²	59.4	31%	0.313	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	148.2	174.3	-65.7	-175.3	172.4	0	0	112	Q357	E269-Q357 WeakPolarHBondContact CA-O 3.33Å
270	V	84	Confident	86.3	Confident	9 Å²	9	53.4 Å²	53.4	6%	0.055	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	158.1	173.4	-66.3	0	0	0	0	112.4	V330 K332 A333 F356 Q357 D391 Y393	V270-V330 WeakPolarHBondContact CB-O 3.18Å; V270-V330 HydrophobicContact CG1-CG2 4.23Å; V270-K332 WeakPolarHBondContact CG1-O 3.36Å; V270-A333 HydrophobicContact CG1-CB 4.11Å; V270-F356 HydrophobicContact CG1-CB 3.98Å; V270-Q357 WeakPolarHBondContact CG1-O 3.22Å; V270-Q357 PolarHBondContact N-O 2.77Å; V270-D391 VanDerWaalsContact CG2-OD2 3.29Å; V270-D391 WeakPolarHBondContact CG2-OD2 3.42Å; V270-Y393 HydrophobicContact CB-CD2 4.4Å; V270-Y393 HydrophobicContact CG2-CD2 3.75Å; V270-Y393 HydrophobicContact CG2-CE2 4.28Å
271	G	76.8	Confident	86	Confident	17 Å²	17	53.7 Å²	53.7	18%	0.175	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.8	-27.7	169.5	0	0	0	0	0	115.7	T329 V330 Y393	G271-T329 WeakPolarHBondContact O-CG2 3.45Å; G271-V330 PolarHBondContact N-O 3.35Å; G271-Y393 VanDerWaalsContact CA-CZ 3.4Å; G271-Y393 WeakPolarHBondContact CA-OH 3.34Å
272	Q	81	Confident	85.6	Confident	114 Å²	114	53.9 Å²	53.9	53%	0.533	26%	0.261	S	S	.	.	S	Bend	trans	-73.4	158.3	174.4	-63.2	-173.8	3.7	0	0	110.9	Q268 M274 T329	Q268-Q272 VanDerWaalsContact NE2-OE1 3.11Å; Q272-M274 HydrophobicContact CB-SD 4.42Å; Q272-T329 WeakPolarHBondContact O-CG2 3.48Å
273	T	81	Confident	84.9	Confident	99 Å²	99	56.4 Å²	56.4	61%	0.607	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	115.8	169.7	-58.3	0	0	0	0	108.2	A327 T329	T273-A327 HydrophobicContact CG2-CB 4.11Å; T273-T329 PolarHBondContact OG1-OG1 2.93Å
274	M	87.5	Confident	84.4	Confident	7 Å²	7	56.6 Å²	56.6	3%	0.034	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	147.9	178	-64.7	75.6	71	0	0	109.6	W264 Q268 Q272 A327 F328 V330 F356	W264-M274 HydrophobicContact CD2-CB 4.35Å; W264-M274 HydrophobicContact CD2-CG 4.34Å; W264-M274 HydrophobicContact CE3-CB 3.82Å; W264-M274 HydrophobicContact CE3-CG 4.3Å; W264-M274 HydrophobicContact CH2-CB 4.24Å; W264-M274 HydrophobicContact CZ3-CB 3.74Å; Q268-M274 HydrophobicContact CG-CG 4.17Å; Q268-M274 HydrophobicContact CG-SD 4.48Å; Q272-M274 HydrophobicContact CB-SD 4.42Å; M274-A327 VanDerWaalsContact O-CA 3.3Å; M274-A327 WeakPolarHBondContact O-CA 3.37Å; M274-F328 HydrophobicContact CB-CE1 4.06Å; M274-F328 HydrophobicContact CB-CZ 4.18Å; M274-F328 HydrophobicContact CE-CD2 4.08Å; M274-F328 HydrophobicContact CE-CE2 3.71Å; M274-F328 HydrophobicContact CE-CZ 4.19Å; M274-F328 PolarHBondContact N-O 3.26Å; M274-F328 PolarHBondContact O-N 3.34Å; M274-V330 HydrophobicContact CE-CB 4.18Å; M274-V330 HydrophobicContact CE-CG1 4.1Å; M274-V330 HydrophobicContact CE-CG2 3.43Å; M274-V330 VanDerWaalsContact CE-CG2 3.43Å; M274-F356 HydrophobicContact CE-CD1 4.1Å; M274-F356 HydrophobicContact CE-CE1 3.43Å; M274-F356 VanDerWaalsContact CE-CE1 3.43Å; M274-F356 HydrophobicContact CE-CZ 3.85Å; M274-F356 HydrophobicContact CG-CE1 4.3Å; M274-F356 HydrophobicContact SD-CE1 4.31Å
275	T	89.7	Confident	83.9	Confident	27 Å²	27	57.3 Å²	57.3	17%	0.166	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	144.5	175.4	57.5	0	0	0	0	111.4	D263 W264 K325 V326 A327	D263-T275 WeakPolarHBondContact CB-O 3.18Å; D263-T275 WeakPolarHBondContact CB-OG1 3.47Å; D263-T275 PolarHBondContact N-O 3.41Å; D263-T275 WeakPolarHBondContact OD2-CB 3.39Å; D263-T275 PolarHBondContact OD2-OG1 2.83Å; W264-T275 VanDerWaalsContact CE3-O 3.25Å; W264-T275 VanDerWaalsContact CZ3-O 3.23Å; W264-T275 WeakPolarHBondContact CZ3-O 3.4Å; T275-K325 HydrophobicContact CG2-CD 4.48Å; T275-K325 HydrophobicContact CG2-CG 4.44Å; T275-V326 CarbonylContact C-O 3.6Å; T275-V326 VanDerWaalsContact CA-O 3.23Å; T275-V326 WeakPolarHBondContact CA-O 3.31Å; T275-A327 HydrophobicContact CG2-CB 3.73Å
276	F	92.8	Very high	83.9	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	159.8	165.9	72.5	-91.8	0	0	0	109.6	V260 S261 W262 W264 V278 V298 I300 V326 F328 V338 V340	V260-F276 HydrophobicContact CG1-CD2 3.65Å; V260-F276 HydrophobicContact CG1-CE2 4.11Å; V260-F276 HydrophobicContact CG1-CG 4.49Å; S261-F276 CarbonylContact O-C 3.6Å; S261-F276 VanDerWaalsContact O-CA 3.31Å; S261-F276 WeakPolarHBondContact O-CA 3.34Å; S261-F276 WeakPolarHBondContact O-CB 3.47Å; W262-F276 HydrophobicContact CD2-CB 4.14Å; W262-F276 HydrophobicContact CE3-CB 3.37Å; W262-F276 HydrophobicContact CE3-CD1 4.08Å; W262-F276 AromaticContact CE3-CG 3.81Å; W262-F276 HydrophobicContact CE3-CG 3.81Å; W262-F276 HydrophobicContact CH2-CD1 4.47Å; W262-F276 HydrophobicContact CH2-CG 4.45Å; W262-F276 HydrophobicContact CZ3-CB 3.78Å; W262-F276 AromaticContact CZ3-CD1 3.59Å; W262-F276 HydrophobicContact CZ3-CD1 3.59Å; W262-F276 HydrophobicContact CZ3-CD2 4.31Å; W262-F276 HydrophobicContact CZ3-CE1 4.15Å; W262-F276 AromaticContact CZ3-CG 3.65Å; W262-F276 HydrophobicContact CZ3-CG 3.65Å; W264-F276 HydrophobicContact CZ3-CB 4.13Å; F276-V278 HydrophobicContact CD2-CG2 4Å; F276-V278 HydrophobicContact CE2-CG2 3.59Å; F276-V298 HydrophobicContact CE1-CG1 4.25Å; F276-V298 HydrophobicContact CZ-CG1 3.75Å; F276-V298 HydrophobicContact CZ-CG2 4.06Å; F276-I300 HydrophobicContact CE1-CD1 4.44Å; F276-V326 HydrophobicContact CD1-CB 3.95Å; F276-V326 HydrophobicContact CD1-CG1 4.24Å; F276-V326 HydrophobicContact CD2-CB 4.27Å; F276-V326 HydrophobicContact CD2-CG2 4.46Å; F276-V326 HydrophobicContact CE1-CB 3.59Å; F276-V326 HydrophobicContact CE1-CG1 3.5Å; F276-V326 VanDerWaalsContact CE1-CG1 3.5Å; F276-V326 HydrophobicContact CE1-CG2 4.39Å; F276-V326 HydrophobicContact CE2-CB 3.94Å; F276-V326 HydrophobicContact CE2-CG1 4.46Å; F276-V326 HydrophobicContact CE2-CG2 3.91Å; F276-V326 HydrophobicContact CG-CB 4.3Å; F276-V326 HydrophobicContact CZ-CB 3.61Å; F276-V326 HydrophobicContact CZ-CG1 3.65Å; F276-V326 HydrophobicContact CZ-CG2 3.89Å; F276-V326 PolarHBondContact N-O 3.41Å; F276-V326 PolarHBondContact O-N 2.84Å; F276-F328 HydrophobicContact CD1-CD1 4.19Å; F276-F328 AromaticContact CD1-CE1 3.82Å; F276-F328 HydrophobicContact CD1-CE1 3.82Å; F276-F328 HydrophobicContact CE1-CD1 4.22Å; F276-F328 HydrophobicContact CE1-CE1 4.1Å; F276-V338 HydrophobicContact CE1-CG1 4.32Å; F276-V338 HydrophobicContact CZ-CG1 4.23Å; F276-V340 HydrophobicContact CE2-CG2 3.89Å; F276-V340 HydrophobicContact CZ-CG2 3.95Å
277	R	91.7	Very high	84.2	Confident	103 Å²	103	53.1 Å²	53.1	39%	0.389	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	131	-173.5	-60.4	177.4	-159.3	176.6	3.5	109	V260 S261 D263 V323 V324	V260-R277 WeakPolarHBondContact CA-O 3.3Å; S261-R277 PolarHBondContact N-O 3.05Å; S261-R277 PolarHBondContact O-N 3.09Å; D263-R277 IonicContact OD1-CZ 3.38Å; D263-R277 VanDerWaalsContact OD1-CZ 3.32Å; D263-R277 IonicContact OD1-NE 3.7Å; D263-R277 PolarHBondContact OD1-NE 3.26Å; D263-R277 IonicContact OD1-NH2 2.77Å; D263-R277 PolarHBondContact OD1-NH2 3.35Å; D263-R277 IonicContact OD2-CZ 2.83Å; D263-R277 IonicContact OD2-NE 3.78Å; D263-R277 PolarHBondContact OD2-NE 3.09Å; D263-R277 VanDerWaalsContact OD2-NE 3.08Å; D263-R277 IonicContact OD2-NH2 2.75Å; D263-R277 PolarHBondContact OD2-NH2 2.89Å; R277-V323 HydrophobicContact CB-CG1 3.69Å; R277-V323 HydrophobicContact CG-CG1 4.1Å; R277-V324 WeakPolarHBondContact CA-O 3.44Å
278	V	90.8	Very high	84.4	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	109.8	172.1	-171.8	0	0	0	0	107.4	K259 V260 F276 L280 L296 V323 V324 V326 V340	K259-V278 CarbonylContact O-C 3.58Å; K259-V278 WeakPolarHBondContact O-CA 3.25Å; V260-V278 HydrophobicContact CG2-CG1 4.44Å; V260-V278 HydrophobicContact CG2-CG2 4.3Å; F276-V278 HydrophobicContact CD2-CG2 4Å; F276-V278 HydrophobicContact CE2-CG2 3.59Å; V278-L280 HydrophobicContact CG1-CD2 3.98Å; V278-L296 HydrophobicContact CB-CD2 4.35Å; V278-L296 HydrophobicContact CG1-CD1 4.16Å; V278-L296 HydrophobicContact CG2-CD2 4.24Å; V278-V323 WeakPolarHBondContact O-CA 3.33Å; V278-V324 PolarHBondContact N-O 2.8Å; V278-V324 PolarHBondContact O-N 3.5Å; V278-V326 HydrophobicContact CG2-CG2 4.24Å; V278-V340 HydrophobicContact CG2-CG1 4.11Å
279	Q	90.1	Very high	84.1	Confident	64 Å²	64	50.9 Å²	50.9	30%	0.299	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	120.9	175	-56.4	-176.6	-49.2	0	0	109	C258 K259 F281 N322 V323	C258-Q279 CarbonylContact C-O 3.6Å; C258-Q279 VanDerWaalsContact CA-O 3.25Å; C258-Q279 WeakPolarHBondContact CA-O 3.35Å; C258-Q279 WeakPolarHBondContact CB-O 3.38Å; K259-Q279 HydrophobicContact CB-CB 4.32Å; K259-Q279 PolarHBondContact N-O 3.46Å; K259-Q279 PolarHBondContact O-N 2.66Å; Q279-F281 HydrophobicContact CB-CD2 4.37Å; Q279-F281 HydrophobicContact CB-CE2 3.61Å; Q279-F281 HydrophobicContact CB-CZ 4.24Å; Q279-N322 CarbonylContact C-O 3.46Å; Q279-N322 WeakPolarHBondContact CA-O 3.33Å; Q279-V323 HydrophobicContact CG-CG2 4.12Å
280	L	87.3	Confident	83.3	Confident	1 Å²	1	48 Å²	48	1%	0.005	26%	0.256	C	S	.	.			trans	-92.6	133.2	-177.5	-56.4	-178.2	0	0	0	110.1	L253 V278 F288 A290 V294 N322 V324 L342	L253-L280 HydrophobicContact CD1-CB 3.96Å; L253-L280 HydrophobicContact CD1-CD2 4.45Å; V278-L280 HydrophobicContact CG1-CD2 3.98Å; L280-F288 HydrophobicContact CB-CB 3.86Å; L280-F288 HydrophobicContact CB-CD1 4.38Å; L280-F288 HydrophobicContact CB-CG 4.46Å; L280-F288 HydrophobicContact CD1-CD1 4.24Å; L280-F288 PolarHBondContact O-N 3.37Å; L280-A290 HydrophobicContact CD1-CB 4.09Å; L280-V294 HydrophobicContact CD1-CG2 4.1Å; L280-N322 PolarHBondContact N-O 2.92Å; L280-N322 PolarHBondContact O-ND2 2.82Å; L280-V324 HydrophobicContact CD1-CG2 4.02Å; L280-V324 HydrophobicContact CG-CG2 4.47Å; L280-L342 HydrophobicContact CD2-CD1 4.44Å; L280-L342 HydrophobicContact CD2-CD2 4.42Å
281	F	85.1	Confident	82.3	Confident	33 Å²	33	54.2 Å²	54.2	15%	0.145	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-133.9	143.7	179.1	-67.1	-83.1	0	0	0	110.8	L253 D254 S257 K259 Q279 G285 Q286	L253-F281 WeakPolarHBondContact CD1-O 3.5Å; D254-F281 PolarHBondContact N-O 3.15Å; S257-F281 VanDerWaalsContact O-CD2 3.26Å; S257-F281 WeakPolarHBondContact O-CD2 3.35Å; K259-F281 HydrophobicContact CB-CE2 4.41Å; K259-F281 HydrophobicContact CD-CE2 4.06Å; K259-F281 HydrophobicContact CG-CE2 4.12Å; Q279-F281 HydrophobicContact CB-CD2 4.37Å; Q279-F281 HydrophobicContact CB-CE2 3.61Å; Q279-F281 HydrophobicContact CB-CZ 4.24Å; F281-G285 WeakPolarHBondContact CD1-O 3.43Å; F281-Q286 WeakPolarHBondContact CA-O 3.48Å
282	Y	83.2	Confident	81.4	Confident	50 Å²	50	63.1 Å²	63.1	20%	0.196	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-64.8	156.7	162.5	-70	-71.6	0	0	0	110.2	N251 Y252 N284 G285 Q286 P287 F288	N251-Y282 VanDerWaalsContact C-CD1 3.41Å; Y252-Y282 WeakPolarHBondContact O-CA 3.48Å; Y282-N284 WeakPolarHBondContact CB-OD1 3.14Å; Y282-N284 PolarHBondContact O-N 2.87Å; Y282-N284 VanDerWaalsContact O-N 3.17Å; Y282-G285 WeakPolarHBondContact O-CA 3.14Å; Y282-G285 PolarHBondContact O-N 3.37Å; Y282-Q286 HydrophobicContact CD2-CB 4Å; Y282-Q286 WeakPolarHBondContact CD2-O 3.44Å; Y282-Q286 PolarHBondContact N-O 3.08Å; Y282-P287 WeakPolarHBondContact CD2-O 3.34Å; Y282-P287 WeakPolarHBondContact CE2-O 3.26Å; Y282-F288 AromaticContact CD1-CD2 3.76Å; Y282-F288 HydrophobicContact CD1-CD2 3.76Å; Y282-F288 HydrophobicContact CD1-CE2 4.39Å; Y282-F288 HydrophobicContact CD2-CB 4.3Å; Y282-F288 HydrophobicContact CD2-CD2 4.37Å; Y282-F288 AromaticContact CE1-CD2 3.26Å; Y282-F288 HydrophobicContact CE1-CD2 3.26Å; Y282-F288 AromaticContact CE1-CE2 3.58Å; Y282-F288 HydrophobicContact CE1-CE2 3.58Å; Y282-F288 HydrophobicContact CE1-CG 4.42Å; Y282-F288 HydrophobicContact CE2-CB 4.2Å; Y282-F288 AromaticContact CE2-CD2 3.92Å; Y282-F288 HydrophobicContact CE2-CD2 3.92Å; Y282-F288 HydrophobicContact CE2-CG 4.41Å; Y282-F288 HydrophobicContact CG-CD2 4.3Å; Y282-F288 AromaticContact CZ-CD2 3.33Å; Y282-F288 AromaticContact CZ-CE2 3.77Å
283	K	78.4	Confident	80.4	Confident	108 Å²	108	61.3 Å²	61.3	47%	0.47	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-31	175.8	-175.9	168.6	175.9	176	0	113.3	G250 Y252 D254 G285	G250-K283 PolarHBondContact O-N 2.85Å; Y252-K283 HydrophobicContact CE1-CB 4.24Å; Y252-K283 HydrophobicContact CE1-CD 3.82Å; Y252-K283 HydrophobicContact CE2-CB 4.36Å; Y252-K283 HydrophobicContact CE2-CD 4.01Å; Y252-K283 PolarHBondContact O-N 2.66Å; Y252-K283 WeakPolarHBondContact OH-CD 3.44Å; Y252-K283 PolarHBondContact OH-NZ 2.98Å; D254-K283 HydrophobicContact CB-CB 3.94Å; D254-K283 HydrophobicContact CB-CG 4.49Å; K283-G285 PolarHBondContact O-N 3.35Å
284	N	79.6	Confident	79.6	Confident	67 Å²	67	58.9 Å²	58.9	36%	0.358	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-0.9	175.8	70.2	5.9	0	0	0	114	G250 N251 Y282 Q286	G250-N284 PolarHBondContact O-N 2.74Å; N251-N284 PolarHBondContact OD1-ND2 3.16Å; Y282-N284 WeakPolarHBondContact CB-OD1 3.14Å; Y282-N284 PolarHBondContact O-N 2.87Å; Y282-N284 VanDerWaalsContact O-N 3.17Å; N284-Q286 WeakPolarHBondContact OD1-CB 3.45Å; N284-Q286 PolarHBondContact OD1-N 3.33Å
285	G	76.6	Confident	78.8	Confident	48 Å²	48	60.6 Å²	60.6	50%	0.495	32%	0.315	S	S	.	.	S	Bend	trans	90.2	-3.2	178.2	0	0	0	0	0	115.5	F281 Y282 K283	F281-G285 WeakPolarHBondContact CD1-O 3.43Å; Y282-G285 WeakPolarHBondContact O-CA 3.14Å; Y282-G285 PolarHBondContact O-N 3.37Å; K283-G285 PolarHBondContact O-N 3.35Å
286	Q	81.9	Confident	78.5	Confident	115 Å²	115	59.8 Å²	59.8	54%	0.537	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-73.6	147.6	176.4	-69.3	-173.1	-24	0	0	111.8	F281 Y282 N284 F288	F281-Q286 WeakPolarHBondContact CA-O 3.48Å; Y282-Q286 HydrophobicContact CD2-CB 4Å; Y282-Q286 WeakPolarHBondContact CD2-O 3.44Å; Y282-Q286 PolarHBondContact N-O 3.08Å; N284-Q286 WeakPolarHBondContact OD1-CB 3.45Å; N284-Q286 PolarHBondContact OD1-N 3.33Å; Q286-F288 PolarHBondContact O-N 3.15Å
287	P	83.3	Confident	78	Confident	78 Å²	78	68.7 Å²	68.7	51%	0.506	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-58.9	133.6	174.8	-22.4	33.4	0	0	0	111.8	Y282 N322	Y282-P287 WeakPolarHBondContact CD2-O 3.34Å; Y282-P287 WeakPolarHBondContact CE2-O 3.26Å; P287-N322 HydrophobicContact CB-CB 3.83Å
288	F	81.3	Confident	77.8	Confident	22 Å²	22	64.6 Å²	64.6	10%	0.096	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-93.8	118.2	175	-176.2	-79.2	0	0	0	109.9	L253 L280 Y282 Q286 A290 V294 N322	L253-F288 HydrophobicContact CB-CD2 3.87Å; L253-F288 HydrophobicContact CB-CE2 3.93Å; L253-F288 HydrophobicContact CD1-CB 3.97Å; L253-F288 HydrophobicContact CD1-CD1 4.32Å; L253-F288 HydrophobicContact CD1-CD2 4Å; L253-F288 HydrophobicContact CD1-CG 3.82Å; L253-F288 HydrophobicContact CD2-CD1 4.44Å; L253-F288 HydrophobicContact CD2-CE1 4.4Å; L253-F288 HydrophobicContact CD2-CZ 4.44Å; L253-F288 HydrophobicContact CG-CD2 4.36Å; L280-F288 HydrophobicContact CB-CB 3.86Å; L280-F288 HydrophobicContact CB-CD1 4.38Å; L280-F288 HydrophobicContact CB-CG 4.46Å; L280-F288 HydrophobicContact CD1-CD1 4.24Å; L280-F288 PolarHBondContact O-N 3.37Å; Y282-F288 AromaticContact CD1-CD2 3.76Å; Y282-F288 HydrophobicContact CD1-CD2 3.76Å; Y282-F288 HydrophobicContact CD1-CE2 4.39Å; Y282-F288 HydrophobicContact CD2-CB 4.3Å; Y282-F288 HydrophobicContact CD2-CD2 4.37Å; Y282-F288 AromaticContact CE1-CD2 3.26Å; Y282-F288 HydrophobicContact CE1-CD2 3.26Å; Y282-F288 AromaticContact CE1-CE2 3.58Å; Y282-F288 HydrophobicContact CE1-CE2 3.58Å; Y282-F288 HydrophobicContact CE1-CG 4.42Å; Y282-F288 HydrophobicContact CE2-CB 4.2Å; Y282-F288 AromaticContact CE2-CD2 3.92Å; Y282-F288 HydrophobicContact CE2-CD2 3.92Å; Y282-F288 HydrophobicContact CE2-CG 4.41Å; Y282-F288 HydrophobicContact CG-CD2 4.3Å; Y282-F288 AromaticContact CZ-CD2 3.33Å; Y282-F288 AromaticContact CZ-CE2 3.77Å; Q286-F288 PolarHBondContact O-N 3.15Å; F288-A290 PolarHBondContact O-N 3.28Å; F288-V294 HydrophobicContact CD1-CG2 4.37Å; F288-V294 HydrophobicContact CE1-CG1 4.3Å; F288-V294 HydrophobicContact CE1-CG2 3.71Å; F288-V294 HydrophobicContact CZ-CG1 4.39Å; F288-N322 WeakPolarHBondContact O-CA 3.39Å; F288-N322 WeakPolarHBondContact O-CB 3.34Å
289	P	77.8	Confident	77.7	Confident	40 Å²	40	68.1 Å²	68.1	26%	0.26	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-67.4	116.7	-178.3	27.5	-33.3	0	0	0	110.8	H291	P289-H291 PolarHBondContact O-N 3.14Å
290	A	70.1	Confident	77.6	Confident	5 Å²	5	65.1 Å²	65.1	4%	0.041	33%	0.334	C	S	.	.			trans	-85.7	98.8	176.9	0	0	0	0	0	108.2	L280 F288 V315 S321 V324	L280-A290 HydrophobicContact CD1-CB 4.09Å; F288-A290 PolarHBondContact O-N 3.28Å; A290-V315 HydrophobicContact CB-CG1 4.06Å; A290-V315 WeakPolarHBondContact O-CG1 3.48Å; A290-S321 WeakPolarHBondContact CB-O 3.39Å; A290-S321 PolarHBondContact N-O 3.03Å; A290-V324 HydrophobicContact CB-CG2 4.15Å
291	H	61.3	Low	77	Confident	140 Å²	140	66.3 Å²	66.3	65%	0.648	34%	0.342	S	S	*	.	S	Bend	trans	-96.1	-19.5	172.7	-61.1	-56.8	0	0	0	112.7	P289	P289-H291 PolarHBondContact O-N 3.14Å
292	R	59.7	Low	76.8	Confident	204 Å²	204	65.1 Å²	65.1	77%	0.77	34%	0.337	S	S	*	.	S	Bend	trans	-150.2	157.5	175.9	-65.9	-173.4	-176.7	173.4	1.1	108.4	V294	R292-V294 WeakPolarHBondContact O-CG2 3.48Å; R292-V294 PolarHBondContact O-N 3.43Å
293	P	58.3	Low	76.3	Confident	77 Å²	77	66.4 Å²	66.4	50%	0.5	35%	0.346	S	S	.	.			trans	-61.3	105.9	175	22.4	-30.7	0	0	0	110	G295	P293-G295 PolarHBondContact O-N 3.03Å
294	V	65.7	Low	76.1	Confident	47 Å²	47	65.6 Å²	65.6	29%	0.285	34%	0.344	S	S	.	.			trans	-77.8	63.7	-167.7	-164.4	0	0	0	0	111.3	L253 L280 F288 R292 L296 L342	L253-V294 HydrophobicContact CD2-CB 3.95Å; L253-V294 HydrophobicContact CD2-CG1 3.54Å; L280-V294 HydrophobicContact CD1-CG2 4.1Å; F288-V294 HydrophobicContact CD1-CG2 4.37Å; F288-V294 HydrophobicContact CE1-CG1 4.3Å; F288-V294 HydrophobicContact CE1-CG2 3.71Å; F288-V294 HydrophobicContact CZ-CG1 4.39Å; R292-V294 WeakPolarHBondContact O-CG2 3.48Å; R292-V294 PolarHBondContact O-N 3.43Å; V294-L296 PolarHBondContact O-N 2.57Å; V294-L296 VanDerWaalsContact O-N 3.14Å; V294-L342 WeakPolarHBondContact O-CD1 3.49Å
295	G	70.3	Confident	75.1	Confident	44 Å²	44	67.4 Å²	67.4	45%	0.454	35%	0.353	S	S	.	.	S	Bend	trans	60.9	24.3	-176.1	0	0	0	0	0	113.5	P293 R297 G343	P293-G295 PolarHBondContact O-N 3.03Å; G295-R297 PolarHBondContact O-N 3Å; G295-G343 PolarHBondContact O-N 3.43Å
296	L	82.5	Confident	74.8	Confident	9 Å²	9	68.9 Å²	68.9	5%	0.047	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	117.2	175.7	-175.1	73.6	0	0	0	109.4	V278 V294 V298 Q313 V324 V326 V340 K341 L342	V278-L296 HydrophobicContact CB-CD2 4.35Å; V278-L296 HydrophobicContact CG1-CD1 4.16Å; V278-L296 HydrophobicContact CG2-CD2 4.24Å; V294-L296 PolarHBondContact O-N 2.57Å; V294-L296 VanDerWaalsContact O-N 3.14Å; L296-V298 HydrophobicContact CG-CG2 4.42Å; L296-Q313 PolarHBondContact O-NE2 3.46Å; L296-Q313 VanDerWaalsContact O-NE2 3.14Å; L296-Q313 PolarHBondContact O-OE1 2.99Å; L296-V324 HydrophobicContact CD2-CB 3.93Å; L296-V324 HydrophobicContact CD2-CG1 3.7Å; L296-V324 HydrophobicContact CD2-CG2 4.3Å; L296-V326 HydrophobicContact CD2-CG2 4.49Å; L296-V340 HydrophobicContact CD1-CG1 3.83Å; L296-K341 CarbonylContact C-O 3.6Å; L296-K341 WeakPolarHBondContact CA-O 3.45Å; L296-L342 HydrophobicContact CB-CD1 4.11Å; L296-L342 HydrophobicContact CD1-CD1 4.04Å
297	R	83.6	Confident	73.9	Confident	188 Å²	188	67.2 Å²	67.2	71%	0.709	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.8	126.1	174.2	-66.4	-172.9	-178.2	-175.2	1.3	108.7	G295 K341	G295-R297 PolarHBondContact O-N 3Å; R297-K341 HydrophobicContact CB-CB 4.44Å; R297-K341 PolarHBondContact N-O 3.13Å; R297-K341 PolarHBondContact O-N 2.97Å
298	V	87.8	Confident	73.3	Confident	17 Å²	17	68.2 Å²	68.2	10%	0.103	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	123.2	173.5	176.9	0	0	0	0	107	F276 L296 I300 V311 V326 V338 A339 V340	F276-V298 HydrophobicContact CE1-CG1 4.25Å; F276-V298 HydrophobicContact CZ-CG1 3.75Å; F276-V298 HydrophobicContact CZ-CG2 4.06Å; L296-V298 HydrophobicContact CG-CG2 4.42Å; V298-I300 HydrophobicContact CG1-CD1 4.25Å; V298-I300 HydrophobicContact CG1-CG1 3.93Å; V298-V311 HydrophobicContact CB-CG2 4.15Å; V298-V311 HydrophobicContact CG1-CG1 4.12Å; V298-V311 HydrophobicContact CG1-CG2 4.5Å; V298-V326 HydrophobicContact CB-CG1 4.46Å; V298-V326 HydrophobicContact CG1-CG1 4.3Å; V298-V326 HydrophobicContact CG2-CG1 4.3Å; V298-V326 HydrophobicContact CG2-CG2 4.18Å; V298-V338 HydrophobicContact CG1-CG1 4.36Å; V298-A339 CarbonylContact C-O 3.54Å; V298-A339 VanDerWaalsContact CA-O 3.32Å; V298-A339 WeakPolarHBondContact CA-O 3.22Å; V298-V340 HydrophobicContact CG1-CG2 4.43Å; V298-V340 HydrophobicContact CG2-CG1 4.21Å; V298-V340 HydrophobicContact CG2-CG2 4.21Å
299	N	87.6	Confident	73	Confident	74 Å²	74	67.9 Å²	67.9	40%	0.396	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.9	168.5	-164.3	26.5	0	0	0	109	T301 V338 A339	N299-T301 PolarHBondContact ND2-OG1 2.84Å; N299-V338 CarbonylContact O-C 3.6Å; N299-A339 HydrophobicContact CB-CB 4.43Å; N299-A339 PolarHBondContact N-O 3.16Å; N299-A339 PolarHBondContact O-N 3.04Å
300	I	88	Confident	72.7	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	118.5	177.9	-60.6	-177.8	0	0	0	106.6	F276 V298 D308 I309 V311 F328 Y336 E337 V338	F276-I300 HydrophobicContact CE1-CD1 4.44Å; V298-I300 HydrophobicContact CG1-CD1 4.25Å; V298-I300 HydrophobicContact CG1-CG1 3.93Å; I300-D308 CarbonylContact O-C 3.54Å; I300-D308 WeakPolarHBondContact O-CA 3.38Å; I300-I309 HydrophobicContact CB-CB 3.99Å; I300-I309 HydrophobicContact CG2-CB 3.94Å; I300-I309 HydrophobicContact CG2-CG1 3.99Å; I300-I309 PolarHBondContact O-N 3.34Å; I300-V311 HydrophobicContact CD1-CG1 3.6Å; I300-V311 HydrophobicContact CG1-CG1 3.97Å; I300-F328 HydrophobicContact CD1-CB 4.04Å; I300-F328 HydrophobicContact CD1-CD1 3.63Å; I300-F328 HydrophobicContact CD1-CD2 3.52Å; I300-F328 HydrophobicContact CD1-CE1 3.89Å; I300-F328 HydrophobicContact CD1-CE2 3.77Å; I300-F328 HydrophobicContact CD1-CG 3.44Å; I300-F328 VanDerWaalsContact CD1-CG 3.44Å; I300-F328 HydrophobicContact CD1-CZ 3.95Å; I300-F328 HydrophobicContact CG2-CD2 4.46Å; I300-F328 HydrophobicContact CG2-CE2 4.39Å; I300-Y336 HydrophobicContact CG2-CD1 3.89Å; I300-E337 CarbonylContact C-O 3.44Å; I300-E337 VanDerWaalsContact CA-O 3.3Å; I300-E337 WeakPolarHBondContact CA-O 3.49Å; I300-V338 HydrophobicContact CD1-CG1 4.24Å; I300-V338 HydrophobicContact CD1-CG2 4.33Å; I300-V338 HydrophobicContact CG1-CB 4.32Å; I300-V338 HydrophobicContact CG1-CG1 3.89Å; I300-V338 HydrophobicContact CG1-CG2 4.04Å; I300-V338 HydrophobicContact CG2-CG2 4.15Å
301	T	74.9	Confident	73.1	Confident	26 Å²	26	73 Å²	73	16%	0.16	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	133.3	-173.9	-49.8	0	0	0	0	110.4	N299 I303 L307 D308 Y336 E337	N299-T301 PolarHBondContact ND2-OG1 2.84Å; T301-I303 PolarHBondContact O-N 3.31Å; T301-L307 CarbonylContact C-O 3.46Å; T301-L307 WeakPolarHBondContact CA-O 3.22Å; T301-D308 WeakPolarHBondContact CB-OD1 3.42Å; T301-D308 WeakPolarHBondContact CG2-OD1 3.4Å; T301-D308 PolarHBondContact OG1-OD1 2.99Å; T301-Y336 CarbonylContact O-C 3.58Å; T301-Y336 WeakPolarHBondContact O-CA 3.38Å; T301-E337 PolarHBondContact N-O 3.13Å; T301-E337 PolarHBondContact O-N 3.07Å
302	H	81.9	Confident	73.8	Confident	8 Å²	8	71 Å²	71	4%	0.037	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	124.6	170	-169.6	-53.4	0	0	0	109.2	E304 L305 A306 L307 A333 Y336	H302-E304 IonicContact CE1-OE2 2.72Å; H302-E304 PolarHBondContact CE1-OE2 3.44Å; H302-E304 PolarHBondContact ND1-N 3.15Å; H302-E304 IonicContact ND1-OE2 2.7Å; H302-E304 PolarHBondContact ND1-OE2 3.08Å; H302-E304 VanDerWaalsContact ND1-OE2 3.11Å; H302-L305 HydrophobicContact CB-CB 4.28Å; H302-L305 PolarHBondContact ND1-N 3.46Å; H302-A306 VanDerWaalsContact O-CA 3.23Å; H302-A306 WeakPolarHBondContact O-CA 3.33Å; H302-A306 PolarHBondContact O-N 3.2Å; H302-L307 HydrophobicContact CB-CB 3.99Å; H302-L307 PolarHBondContact N-O 3.46Å; H302-A333 PolarHBondContact NE2-O 3.35Å; H302-Y336 HydrophobicContact CB-CD1 4.1Å; H302-Y336 HydrophobicContact CB-CE1 3.66Å; H302-Y336 HydrophobicContact CB-CE2 4.5Å; H302-Y336 AromaticContact CD2-CE2 3.59Å; H302-Y336 AromaticContact CD2-CZ 3.45Å; H302-Y336 VanDerWaalsContact CD2-CZ 3.45Å; H302-Y336 PolarHBondContact CD2-OH 2.85Å; H302-Y336 AromaticContact CG-CZ 3.97Å
303	I	71.8	Confident	74.8	Confident	77 Å²	77	64.4 Å²	64.4	40%	0.395	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-46.7	-169.8	-62.2	176.2	0	0	0	111.5	T301 R335 E337 Y353	T301-I303 PolarHBondContact O-N 3.31Å; I303-R335 HydrophobicContact CB-CB 4.47Å; I303-R335 HydrophobicContact CD1-CB 3.83Å; I303-R335 HydrophobicContact CG1-CB 4.4Å; I303-R335 PolarHBondContact N-O 2.74Å; I303-E337 HydrophobicContact CG1-CB 4.24Å; I303-Y353 HydrophobicContact CD1-CD1 3.79Å; I303-Y353 HydrophobicContact CD1-CE1 4.04Å
304	E	73.5	Confident	75.6	Confident	92 Å²	92	65.7 Å²	65.7	43%	0.43	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-34.2	-177.4	-62.3	79.1	-175.5	0	0	113.6	H302 R335	H302-E304 IonicContact CE1-OE2 2.72Å; H302-E304 PolarHBondContact CE1-OE2 3.44Å; H302-E304 PolarHBondContact ND1-N 3.15Å; H302-E304 IonicContact ND1-OE2 2.7Å; H302-E304 PolarHBondContact ND1-OE2 3.08Å; H302-E304 VanDerWaalsContact ND1-OE2 3.11Å; E304-R335 IonicContact OE1-CZ 3.72Å; E304-R335 IonicContact OE1-NE 3.53Å; E304-R335 PolarHBondContact OE1-NE 2.88Å; E304-R335 IonicContact OE1-NH2 3.01Å; E304-R335 PolarHBondContact OE1-NH2 2.99Å
305	L	59.7	Low	75.7	Confident	105 Å²	105	65.1 Å²	65.1	55%	0.55	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-6.9	-173.5	-61.7	179.2	0	0	0	113.4	H302 L307 K332	H302-L305 HydrophobicContact CB-CB 4.28Å; H302-L305 PolarHBondContact ND1-N 3.46Å; L305-L307 HydrophobicContact CB-CB 4.28Å; L305-L307 PolarHBondContact O-N 3.29Å; L305-K332 HydrophobicContact CD1-CB 4.43Å; L305-K332 HydrophobicContact CD1-CG 4.25Å
306	A	69.6	Low	75.4	Confident	79 Å²	79	65.7 Å²	65.7	65%	0.653	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	37.3	-172.2	0	0	0	0	0	112.9	H302	H302-A306 VanDerWaalsContact O-CA 3.23Å; H302-A306 WeakPolarHBondContact O-CA 3.33Å; H302-A306 PolarHBondContact O-N 3.2Å
307	L	63.3	Low	74	Confident	79 Å²	79	74 Å²	74	41%	0.414	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	116.3	-177.4	-177.4	105.6	0	0	0	110	T301 H302 L305 I309	T301-L307 CarbonylContact C-O 3.46Å; T301-L307 WeakPolarHBondContact CA-O 3.22Å; H302-L307 HydrophobicContact CB-CB 3.99Å; H302-L307 PolarHBondContact N-O 3.46Å; L305-L307 HydrophobicContact CB-CB 4.28Å; L305-L307 PolarHBondContact O-N 3.29Å; L307-I309 HydrophobicContact CD2-CD1 3.52Å
308	D	70.7	Confident	73	Confident	100 Å²	100	71.7 Å²	71.7	54%	0.535	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	137.8	174.8	-68.4	-29.9	0	0	0	111.7	I300 T301	I300-D308 CarbonylContact O-C 3.54Å; I300-D308 WeakPolarHBondContact O-CA 3.38Å; T301-D308 WeakPolarHBondContact CB-OD1 3.42Å; T301-D308 WeakPolarHBondContact CG2-OD1 3.4Å; T301-D308 PolarHBondContact OG1-OD1 2.99Å
309	I	75.8	Confident	71.2	Confident	15 Å²	15	76.6 Å²	76.6	8%	0.077	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	124.7	-178.1	-56.1	-63.1	0	0	0	109.4	I300 L307 F328 T329 V330 Y336	I300-I309 HydrophobicContact CB-CB 3.99Å; I300-I309 HydrophobicContact CG2-CB 3.94Å; I300-I309 HydrophobicContact CG2-CG1 3.99Å; I300-I309 PolarHBondContact O-N 3.34Å; L307-I309 HydrophobicContact CD2-CD1 3.52Å; I309-F328 HydrophobicContact CG2-CB 4.32Å; I309-F328 HydrophobicContact CG2-CD2 4.24Å; I309-T329 WeakPolarHBondContact CG2-O 3.31Å; I309-V330 HydrophobicContact CD1-CG1 4.47Å; I309-V330 HydrophobicContact CG1-CG1 4.21Å; I309-V330 HydrophobicContact CG2-CG1 4.38Å; I309-Y336 HydrophobicContact CD1-CE1 3.97Å; I309-Y336 HydrophobicContact CG1-CD1 4.22Å; I309-Y336 HydrophobicContact CG1-CE1 3.63Å
310	P	71	Confident	70	Confident	114 Å²	114	81.1 Å²	81.1	74%	0.74	44%	0.438	S	S	*	.			trans	-66.6	142.4	174.7	28.7	-34.1	0	0	0	110.5
311	V	78.9	Confident	69.3	Low	37 Å²	37	81.8 Å²	81.8	22%	0.224	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	144.1	-179.9	-57.9	0	0	0	0	109.8	V298 I300 V326 A327 F328	V298-V311 HydrophobicContact CB-CG2 4.15Å; V298-V311 HydrophobicContact CG1-CG1 4.12Å; V298-V311 HydrophobicContact CG1-CG2 4.5Å; I300-V311 HydrophobicContact CD1-CG1 3.6Å; I300-V311 HydrophobicContact CG1-CG1 3.97Å; V311-V326 HydrophobicContact CB-CG1 4.03Å; V311-V326 HydrophobicContact CG1-CG1 4.46Å; V311-A327 WeakPolarHBondContact CA-O 3.29Å; V311-F328 HydrophobicContact CG1-CB 3.98Å
312	T	75.8	Confident	69.8	Low	98 Å²	98	81.8 Å²	81.8	60%	0.601	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	137.2	167.5	53	0	0	0	0	109	V326 A327	T312-V326 CarbonylContact O-C 3.54Å; T312-V326 WeakPolarHBondContact O-CA 3.47Å; T312-A327 PolarHBondContact N-O 2.7Å; T312-A327 PolarHBondContact O-N 3.04Å; T312-A327 WeakPolarHBondContact OG1-CB 3.31Å; T312-A327 PolarHBondContact OG1-O 3.45Å
313	Q	80.1	Confident	70	Confident	67 Å²	67	82.2 Å²	82.2	31%	0.313	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	126.8	178.7	-59.3	-177.5	5.4	0	0	108.4	L296 V324 K325 V326	L296-Q313 PolarHBondContact O-NE2 3.46Å; L296-Q313 VanDerWaalsContact O-NE2 3.14Å; L296-Q313 PolarHBondContact O-OE1 2.99Å; Q313-V324 HydrophobicContact CB-CG1 4.36Å; Q313-K325 WeakPolarHBondContact CA-O 3.49Å; Q313-V326 HydrophobicContact CG-CG2 4.33Å
314	E	76.2	Confident	70.7	Confident	104 Å²	104	78.6 Å²	78.6	49%	0.486	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	131.6	176.8	-171.7	178.2	-172.5	0	0	109.1	K325	E314-K325 PolarHBondContact N-O 3.07Å; E314-K325 PolarHBondContact O-N 2.97Å
315	V	66.8	Low	71.4	Confident	35 Å²	35	77.2 Å²	77.2	21%	0.212	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	122.3	169.6	175.2	0	0	0	0	106.7	A290 Q317	A290-V315 HydrophobicContact CB-CG1 4.06Å; A290-V315 WeakPolarHBondContact O-CG1 3.48Å; V315-Q317 PolarHBondContact O-N 3.02Å
316	L	64.1	Low	72.7	Confident	56 Å²	56	72.2 Å²	72.2	29%	0.293	39%	0.393	S	S	.	.			trans	-60.8	129.5	-180	-69.6	171.6	0	0	0	109.7	E318 V323 K325	L316-E318 PolarHBondContact O-N 3.3Å; L316-V323 HydrophobicContact CD1-CB 4.15Å; L316-V323 HydrophobicContact CD1-CG1 4.08Å; L316-K325 HydrophobicContact CD2-CB 4.49Å; L316-K325 HydrophobicContact CD2-CD 4.29Å; L316-K325 HydrophobicContact CG-CB 4.48Å
317	Q	52.9	Low	73.4	Confident	182 Å²	182	69.3 Å²	69.3	85%	0.85	37%	0.368	S	S	*	.	S	Bend	trans	-74.7	46.5	-172.1	-63.4	-175.8	2.9	0	0	113.7	V315	V315-Q317 PolarHBondContact O-N 3.02Å
318	E	61.7	Low	74.4	Confident	141 Å²	141	65.8 Å²	65.8	66%	0.659	35%	0.349	S	S	*	.	S	Bend	trans	-105.6	135.9	168.8	-69.8	178.4	180	0	0	108.9	L316 E320 S321	L316-E318 PolarHBondContact O-N 3.3Å; E318-E320 PolarHBondContact O-N 3.11Å; E318-S321 PolarHBondContact O-N 3.32Å; E318-S321 VanDerWaalsContact O-N 3.09Å
319	P	51.7	Low	74.9	Confident	120 Å²	120	63.1 Å²	63.1	78%	0.779	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-9.2	-170.6	-27	34.1	0	0	0	117.3
320	E	61.9	Low	75.2	Confident	169 Å²	169	62.4 Å²	62.4	79%	0.79	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.5	21.9	179.4	-61.6	-165.3	159.4	0	0	113.1	E318 N322	E318-E320 PolarHBondContact O-N 3.11Å; E320-N322 PolarHBondContact O-N 2.64Å
321	S	73.6	Confident	75.7	Confident	13 Å²	13	62.4 Å²	62.4	9%	0.091	32%	0.318	C	S	.	.			trans	-64.3	127.9	-176.9	-162.1	0	0	0	0	111.5	A290 E318 V323	A290-S321 WeakPolarHBondContact CB-O 3.39Å; A290-S321 PolarHBondContact N-O 3.03Å; E318-S321 PolarHBondContact O-N 3.32Å; E318-S321 VanDerWaalsContact O-N 3.09Å; S321-V323 VanDerWaalsContact C-N 3.28Å; S321-V323 PolarHBondContact OG-N 2.72Å
322	N	85.1	Confident	75.8	Confident	27 Å²	27	64.4 Å²	64.4	14%	0.144	32%	0.324	C	S	.	.			trans	-93.4	16.8	171.1	73.7	-47	0	0	0	112.7	Q279 L280 P287 F288 E320	Q279-N322 CarbonylContact C-O 3.46Å; Q279-N322 WeakPolarHBondContact CA-O 3.33Å; L280-N322 PolarHBondContact N-O 2.92Å; L280-N322 PolarHBondContact O-ND2 2.82Å; P287-N322 HydrophobicContact CB-CB 3.83Å; F288-N322 WeakPolarHBondContact O-CA 3.39Å; F288-N322 WeakPolarHBondContact O-CB 3.34Å; E320-N322 PolarHBondContact O-N 2.64Å
323	V	86.3	Confident	76.2	Confident	16 Å²	16	61 Å²	61	10%	0.097	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123.8	-168.9	-173.1	0	0	0	0	110.7	R277 V278 Q279 L316 S321	R277-V323 HydrophobicContact CB-CG1 3.69Å; R277-V323 HydrophobicContact CG-CG1 4.1Å; V278-V323 WeakPolarHBondContact O-CA 3.33Å; Q279-V323 HydrophobicContact CG-CG2 4.12Å; L316-V323 HydrophobicContact CD1-CB 4.15Å; L316-V323 HydrophobicContact CD1-CG1 4.08Å; S321-V323 VanDerWaalsContact C-N 3.28Å; S321-V323 PolarHBondContact OG-N 2.72Å
324	V	85.6	Confident	76.3	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.006	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	119.4	168.3	-174.3	0	0	0	0	108.3	R277 V278 L280 A290 L296 Q313 V326	R277-V324 WeakPolarHBondContact CA-O 3.44Å; V278-V324 PolarHBondContact N-O 2.8Å; V278-V324 PolarHBondContact O-N 3.5Å; L280-V324 HydrophobicContact CD1-CG2 4.02Å; L280-V324 HydrophobicContact CG-CG2 4.47Å; A290-V324 HydrophobicContact CB-CG2 4.15Å; L296-V324 HydrophobicContact CD2-CB 3.93Å; L296-V324 HydrophobicContact CD2-CG1 3.7Å; L296-V324 HydrophobicContact CD2-CG2 4.3Å; Q313-V324 HydrophobicContact CB-CG1 4.36Å; V324-V326 HydrophobicContact CG1-CG2 4.49Å
325	K	87.8	Confident	76.7	Confident	64 Å²	64	60.3 Å²	60.3	28%	0.278	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	128	174	-172.7	177.4	177.6	-175.4	0	108.7	T275 Q313 E314 L316	T275-K325 HydrophobicContact CG2-CD 4.48Å; T275-K325 HydrophobicContact CG2-CG 4.44Å; Q313-K325 WeakPolarHBondContact CA-O 3.49Å; E314-K325 PolarHBondContact N-O 3.07Å; E314-K325 PolarHBondContact O-N 2.97Å; L316-K325 HydrophobicContact CD2-CB 4.49Å; L316-K325 HydrophobicContact CD2-CD 4.29Å; L316-K325 HydrophobicContact CG-CB 4.48Å
326	V	87.3	Confident	77.7	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123	177.5	-174.7	0	0	0	0	107.6	T275 F276 V278 L296 V298 V311 T312 Q313 V324	T275-V326 CarbonylContact C-O 3.6Å; T275-V326 VanDerWaalsContact CA-O 3.23Å; T275-V326 WeakPolarHBondContact CA-O 3.31Å; F276-V326 HydrophobicContact CD1-CB 3.95Å; F276-V326 HydrophobicContact CD1-CG1 4.24Å; F276-V326 HydrophobicContact CD2-CB 4.27Å; F276-V326 HydrophobicContact CD2-CG2 4.46Å; F276-V326 HydrophobicContact CE1-CB 3.59Å; F276-V326 HydrophobicContact CE1-CG1 3.5Å; F276-V326 VanDerWaalsContact CE1-CG1 3.5Å; F276-V326 HydrophobicContact CE1-CG2 4.39Å; F276-V326 HydrophobicContact CE2-CB 3.94Å; F276-V326 HydrophobicContact CE2-CG1 4.46Å; F276-V326 HydrophobicContact CE2-CG2 3.91Å; F276-V326 HydrophobicContact CG-CB 4.3Å; F276-V326 HydrophobicContact CZ-CB 3.61Å; F276-V326 HydrophobicContact CZ-CG1 3.65Å; F276-V326 HydrophobicContact CZ-CG2 3.89Å; F276-V326 PolarHBondContact N-O 3.41Å; F276-V326 PolarHBondContact O-N 2.84Å; V278-V326 HydrophobicContact CG2-CG2 4.24Å; L296-V326 HydrophobicContact CD2-CG2 4.49Å; V298-V326 HydrophobicContact CB-CG1 4.46Å; V298-V326 HydrophobicContact CG1-CG1 4.3Å; V298-V326 HydrophobicContact CG2-CG1 4.3Å; V298-V326 HydrophobicContact CG2-CG2 4.18Å; V311-V326 HydrophobicContact CB-CG1 4.03Å; V311-V326 HydrophobicContact CG1-CG1 4.46Å; T312-V326 CarbonylContact O-C 3.54Å; T312-V326 WeakPolarHBondContact O-CA 3.47Å; Q313-V326 HydrophobicContact CG-CG2 4.33Å; V324-V326 HydrophobicContact CG1-CG2 4.49Å
327	A	84.8	Confident	79	Confident	17 Å²	17	59.3 Å²	59.3	14%	0.14	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	141.7	177.7	0	0	0	0	0	110.5	T273 M274 T275 V311 T312	T273-A327 HydrophobicContact CG2-CB 4.11Å; M274-A327 VanDerWaalsContact O-CA 3.3Å; M274-A327 WeakPolarHBondContact O-CA 3.37Å; T275-A327 HydrophobicContact CG2-CB 3.73Å; V311-A327 WeakPolarHBondContact CA-O 3.29Å; T312-A327 PolarHBondContact N-O 2.7Å; T312-A327 PolarHBondContact O-N 3.04Å; T312-A327 WeakPolarHBondContact OG1-CB 3.31Å; T312-A327 PolarHBondContact OG1-O 3.45Å
328	F	83.4	Confident	80.9	Confident	5 Å²	5	50.6 Å²	50.6	2%	0.022	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	160.6	177.1	70.7	-77.4	0	0	0	111.1	W264 M274 F276 I300 I309 V311 V330 F356	W264-F328 AromaticContact CH2-CE1 3.67Å; W264-F328 HydrophobicContact CH2-CE1 3.67Å; W264-F328 AromaticContact CH2-CZ 3.57Å; W264-F328 HydrophobicContact CH2-CZ 3.57Å; W264-F328 HydrophobicContact CZ2-CZ 4.29Å; W264-F328 AromaticContact CZ3-CE1 3.99Å; W264-F328 HydrophobicContact CZ3-CE1 3.99Å; W264-F328 HydrophobicContact CZ3-CZ 4.28Å; M274-F328 HydrophobicContact CB-CE1 4.06Å; M274-F328 HydrophobicContact CB-CZ 4.18Å; M274-F328 HydrophobicContact CE-CD2 4.08Å; M274-F328 HydrophobicContact CE-CE2 3.71Å; M274-F328 HydrophobicContact CE-CZ 4.19Å; M274-F328 PolarHBondContact N-O 3.26Å; M274-F328 PolarHBondContact O-N 3.34Å; F276-F328 HydrophobicContact CD1-CD1 4.19Å; F276-F328 AromaticContact CD1-CE1 3.82Å; F276-F328 HydrophobicContact CD1-CE1 3.82Å; F276-F328 HydrophobicContact CE1-CD1 4.22Å; F276-F328 HydrophobicContact CE1-CE1 4.1Å; I300-F328 HydrophobicContact CD1-CB 4.04Å; I300-F328 HydrophobicContact CD1-CD1 3.63Å; I300-F328 HydrophobicContact CD1-CD2 3.52Å; I300-F328 HydrophobicContact CD1-CE1 3.89Å; I300-F328 HydrophobicContact CD1-CE2 3.77Å; I300-F328 HydrophobicContact CD1-CG 3.44Å; I300-F328 VanDerWaalsContact CD1-CG 3.44Å; I300-F328 HydrophobicContact CD1-CZ 3.95Å; I300-F328 HydrophobicContact CG2-CD2 4.46Å; I300-F328 HydrophobicContact CG2-CE2 4.39Å; I309-F328 HydrophobicContact CG2-CB 4.32Å; I309-F328 HydrophobicContact CG2-CD2 4.24Å; V311-F328 HydrophobicContact CG1-CB 3.98Å; F328-V330 HydrophobicContact CD2-CG1 3.82Å; F328-V330 HydrophobicContact CE2-CG1 3.73Å; F328-F356 HydrophobicContact CE2-CE2 4.38Å; F328-F356 AromaticContact CE2-CZ 3.85Å; F328-F356 HydrophobicContact CE2-CZ 3.85Å; F328-F356 AromaticContact CZ-CZ 3.98Å; F328-F356 HydrophobicContact CZ-CZ 3.98Å
329	T	82.8	Confident	82.4	Confident	44 Å²	44	44.6 Å²	44.6	27%	0.27	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	130.8	177.8	-60.5	0	0	0	0	109	G271 Q272 T273 I309 R331	G271-T329 WeakPolarHBondContact O-CG2 3.45Å; Q272-T329 WeakPolarHBondContact O-CG2 3.48Å; T273-T329 PolarHBondContact OG1-OG1 2.93Å; I309-T329 WeakPolarHBondContact CG2-O 3.31Å; T329-R331 HydrophobicContact CG2-CG 4.43Å
330	V	80.6	Confident	84.3	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.191	C	C	.	.			trans	-109.3	135.8	174.1	-60	0	0	0	0	109.1	V270 G271 M274 I309 F328 Y336 F356	V270-V330 WeakPolarHBondContact CB-O 3.18Å; V270-V330 HydrophobicContact CG1-CG2 4.23Å; G271-V330 PolarHBondContact N-O 3.35Å; M274-V330 HydrophobicContact CE-CB 4.18Å; M274-V330 HydrophobicContact CE-CG1 4.1Å; M274-V330 HydrophobicContact CE-CG2 3.43Å; M274-V330 VanDerWaalsContact CE-CG2 3.43Å; I309-V330 HydrophobicContact CD1-CG1 4.47Å; I309-V330 HydrophobicContact CG1-CG1 4.21Å; I309-V330 HydrophobicContact CG2-CG1 4.38Å; F328-V330 HydrophobicContact CD2-CG1 3.82Å; F328-V330 HydrophobicContact CE2-CG1 3.73Å; V330-Y336 HydrophobicContact CB-CE1 4.38Å; V330-Y336 HydrophobicContact CB-CE2 4.39Å; V330-Y336 HydrophobicContact CG1-CD1 4.29Å; V330-Y336 HydrophobicContact CG1-CE1 3.86Å; V330-Y336 HydrophobicContact CG1-CE2 4.44Å; V330-F356 HydrophobicContact CB-CD2 4.43Å; V330-F356 HydrophobicContact CG1-CD2 4.35Å; V330-F356 HydrophobicContact CG1-CE2 4.09Å; V330-F356 HydrophobicContact CG1-CZ 4.38Å; V330-F356 HydrophobicContact CG2-CB 3.92Å; V330-F356 HydrophobicContact CG2-CD1 3.46Å; V330-F356 VanDerWaalsContact CG2-CD1 3.46Å; V330-F356 HydrophobicContact CG2-CD2 3.67Å; V330-F356 HydrophobicContact CG2-CE1 3.82Å; V330-F356 HydrophobicContact CG2-CE2 3.99Å; V330-F356 HydrophobicContact CG2-CG 3.37Å; V330-F356 HydrophobicContact CG2-CZ 4.06Å
331	R	82.3	Confident	85.5	Confident	114 Å²	114	34.9 Å²	34.9	43%	0.43	17%	0.171	S	C	.	.			trans	-114.3	-8.5	-179.6	-65.2	-178.9	175.9	174.5	-3	112.9	T329 Y393 N395	T329-R331 HydrophobicContact CG2-CG 4.43Å; R331-Y393 HydrophobicContact CB-CD1 3.72Å; R331-Y393 HydrophobicContact CB-CE1 4.27Å; R331-Y393 HydrophobicContact CB-CG 3.96Å; R331-Y393 HydrophobicContact CG-CD1 3.63Å; R331-Y393 HydrophobicContact CG-CE1 3.67Å; R331-Y393 HydrophobicContact CG-CG 4.28Å; R331-Y393 WeakPolarHBondContact O-CB 3.4Å; R331-N395 PolarHBondContact O-ND2 2.8Å
332	K	80.6	Confident	86.1	Confident	80 Å²	80	34.5 Å²	34.5	35%	0.348	17%	0.168	S	C	.	.	S	Bend	trans	-106.3	128.4	174.8	-67.5	-59.7	-176.6	-171	0	109	V270 L305 Y336 N395	V270-K332 WeakPolarHBondContact CG1-O 3.36Å; L305-K332 HydrophobicContact CD1-CB 4.43Å; L305-K332 HydrophobicContact CD1-CG 4.25Å; K332-Y336 VanDerWaalsContact O-CE2 3.28Å; K332-Y336 WeakPolarHBondContact O-CE2 3.47Å; K332-Y336 PolarHBondContact O-OH 2.7Å; K332-N395 WeakPolarHBondContact CA-OD1 3.44Å
333	A	83.9	Confident	85.5	Confident	27 Å²	27	35 Å²	35	22%	0.223	18%	0.178	C	C	.	.			trans	-75.5	142.1	173.8	0	0	0	0	0	108.7	V270 H302 F356 P358 N395	V270-A333 HydrophobicContact CG1-CB 4.11Å; H302-A333 PolarHBondContact NE2-O 3.35Å; A333-F356 CarbonylContact C-O 3.58Å; A333-F356 WeakPolarHBondContact CA-O 3.33Å; A333-P358 HydrophobicContact CB-CB 4.05Å; A333-P358 HydrophobicContact CB-CG 4.49Å; A333-N395 HydrophobicContact CB-CB 4.04Å; A333-N395 PolarHBondContact N-OD1 3.19Å; A333-N395 VanDerWaalsContact N-OD1 3.08Å
334	G	82.3	Confident	84.9	Confident	20 Å²	20	36.5 Å²	36.5	21%	0.206	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146.4	-164.9	-175.6	0	0	0	0	0	113.4	F356	G334-F356 PolarHBondContact N-O 3.39Å; G334-F356 PolarHBondContact O-N 2.88Å
335	R	85.4	Confident	84.6	Confident	135 Å²	135	41 Å²	41	51%	0.509	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	136.7	-177.4	-62	-178.9	-68.8	-179.8	-1.5	110.2	I303 E304 K354 I355	I303-R335 HydrophobicContact CB-CB 4.47Å; I303-R335 HydrophobicContact CD1-CB 3.83Å; I303-R335 HydrophobicContact CG1-CB 4.4Å; I303-R335 PolarHBondContact N-O 2.74Å; E304-R335 IonicContact OE1-CZ 3.72Å; E304-R335 IonicContact OE1-NE 3.53Å; E304-R335 PolarHBondContact OE1-NE 2.88Å; E304-R335 IonicContact OE1-NH2 3.01Å; E304-R335 PolarHBondContact OE1-NH2 2.99Å; R335-K354 WeakPolarHBondContact CA-O 3.47Å; R335-I355 HydrophobicContact CG-CG1 4.22Å
336	Y	88.3	Confident	84.5	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	142.4	-177.1	-76.6	-100.5	0	0	0	110.9	I300 T301 H302 I309 V330 K332 Y353 K354 F356	I300-Y336 HydrophobicContact CG2-CD1 3.89Å; T301-Y336 CarbonylContact O-C 3.58Å; T301-Y336 WeakPolarHBondContact O-CA 3.38Å; H302-Y336 HydrophobicContact CB-CD1 4.1Å; H302-Y336 HydrophobicContact CB-CE1 3.66Å; H302-Y336 HydrophobicContact CB-CE2 4.5Å; H302-Y336 AromaticContact CD2-CE2 3.59Å; H302-Y336 AromaticContact CD2-CZ 3.45Å; H302-Y336 VanDerWaalsContact CD2-CZ 3.45Å; H302-Y336 PolarHBondContact CD2-OH 2.85Å; H302-Y336 AromaticContact CG-CZ 3.97Å; I309-Y336 HydrophobicContact CD1-CE1 3.97Å; I309-Y336 HydrophobicContact CG1-CD1 4.22Å; I309-Y336 HydrophobicContact CG1-CE1 3.63Å; V330-Y336 HydrophobicContact CB-CE1 4.38Å; V330-Y336 HydrophobicContact CB-CE2 4.39Å; V330-Y336 HydrophobicContact CG1-CD1 4.29Å; V330-Y336 HydrophobicContact CG1-CE1 3.86Å; V330-Y336 HydrophobicContact CG1-CE2 4.44Å; K332-Y336 VanDerWaalsContact O-CE2 3.28Å; K332-Y336 WeakPolarHBondContact O-CE2 3.47Å; K332-Y336 PolarHBondContact O-OH 2.7Å; Y336-Y353 CarbonylContact O-C 3.55Å; Y336-Y353 WeakPolarHBondContact O-CA 3.17Å; Y336-K354 PolarHBondContact N-O 3.04Å; Y336-K354 PolarHBondContact O-N 3.23Å; Y336-F356 AromaticContact CD2-CD2 3.42Å; Y336-F356 HydrophobicContact CD2-CD2 3.42Å; Y336-F356 VanDerWaalsContact CD2-CD2 3.42Å; Y336-F356 AromaticContact CD2-CE2 3.93Å; Y336-F356 HydrophobicContact CD2-CE2 3.93Å; Y336-F356 AromaticContact CE2-CD2 3.8Å; Y336-F356 HydrophobicContact CE2-CD2 3.8Å; Y336-F356 HydrophobicContact CG-CD2 4.03Å; Y336-F356 HydrophobicContact CG-CE2 4.06Å
337	E	91	Very high	84.4	Confident	70 Å²	70	41.3 Å²	41.3	33%	0.327	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	125.7	169.1	-172.9	-173.9	-178.3	0	0	108.9	I300 T301 I303 P351 Y353	I300-E337 CarbonylContact C-O 3.44Å; I300-E337 VanDerWaalsContact CA-O 3.3Å; I300-E337 WeakPolarHBondContact CA-O 3.49Å; T301-E337 PolarHBondContact N-O 3.13Å; T301-E337 PolarHBondContact O-N 3.07Å; I303-E337 HydrophobicContact CG1-CB 4.24Å; E337-P351 HydrophobicContact CG-CB 3.59Å; E337-P351 HydrophobicContact CG-CG 4.28Å; E337-P351 VanDerWaalsContact OE1-CB 3.28Å; E337-P351 WeakPolarHBondContact OE1-CB 3.47Å; E337-P351 VanDerWaalsContact OE1-CG 3.3Å; E337-P351 WeakPolarHBondContact OE1-CG 3.3Å; E337-Y353 HydrophobicContact CB-CD1 4.37Å; E337-Y353 HydrophobicContact CB-CE1 4.15Å; E337-Y353 HydrophobicContact CG-CD1 4.46Å; E337-Y353 HydrophobicContact CG-CE1 3.94Å
338	V	93.1	Very high	84.3	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	98.2	177.8	-178.1	0	0	0	0	109.1	W262 F276 V298 N299 I300 V340 P351 Y352 K354	W262-V338 HydrophobicContact CH2-CB 4.02Å; W262-V338 HydrophobicContact CH2-CG1 3.77Å; W262-V338 HydrophobicContact CH2-CG2 4.18Å; W262-V338 HydrophobicContact CZ3-CG1 4.4Å; F276-V338 HydrophobicContact CE1-CG1 4.32Å; F276-V338 HydrophobicContact CZ-CG1 4.23Å; V298-V338 HydrophobicContact CG1-CG1 4.36Å; N299-V338 CarbonylContact O-C 3.6Å; I300-V338 HydrophobicContact CD1-CG1 4.24Å; I300-V338 HydrophobicContact CD1-CG2 4.33Å; I300-V338 HydrophobicContact CG1-CB 4.32Å; I300-V338 HydrophobicContact CG1-CG1 3.89Å; I300-V338 HydrophobicContact CG1-CG2 4.04Å; I300-V338 HydrophobicContact CG2-CG2 4.15Å; V338-V340 HydrophobicContact CG1-CG2 4.09Å; V338-P351 WeakPolarHBondContact O-CA 3.14Å; V338-Y352 PolarHBondContact N-O 3.1Å; V338-Y352 WeakPolarHBondContact O-CD2 3.41Å; V338-Y352 PolarHBondContact O-N 2.78Å; V338-K354 HydrophobicContact CG2-CG 4.25Å
339	A	92	Very high	84.3	Confident	15 Å²	15	50.1 Å²	50.1	12%	0.124	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	113.2	177.3	0	0	0	0	0	110.5	V298 N299 S350 P351	V298-A339 CarbonylContact C-O 3.54Å; V298-A339 VanDerWaalsContact CA-O 3.32Å; V298-A339 WeakPolarHBondContact CA-O 3.22Å; N299-A339 HydrophobicContact CB-CB 4.43Å; N299-A339 PolarHBondContact N-O 3.16Å; N299-A339 PolarHBondContact O-N 3.04Å; A339-S350 WeakPolarHBondContact CA-OG 3.4Å; A339-P351 HydrophobicContact CB-CB 4.41Å
340	V	92.3	Very high	84.5	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	113.3	177.3	-177.2	0	0	0	0	107.5	F276 V278 L296 V298 V338 V347 S350 Y352	F276-V340 HydrophobicContact CE2-CG2 3.89Å; F276-V340 HydrophobicContact CZ-CG2 3.95Å; V278-V340 HydrophobicContact CG2-CG1 4.11Å; L296-V340 HydrophobicContact CD1-CG1 3.83Å; V298-V340 HydrophobicContact CG1-CG2 4.43Å; V298-V340 HydrophobicContact CG2-CG1 4.21Å; V298-V340 HydrophobicContact CG2-CG2 4.21Å; V338-V340 HydrophobicContact CG1-CG2 4.09Å; V340-V347 HydrophobicContact CB-CG2 3.68Å; V340-V347 HydrophobicContact CG1-CG1 4.03Å; V340-V347 HydrophobicContact CG1-CG2 3.66Å; V340-V347 WeakPolarHBondContact O-CG2 3.44Å; V340-V347 PolarHBondContact O-N 3.09Å; V340-S350 PolarHBondContact N-OG 3.11Å; V340-S350 PolarHBondContact O-OG 3.39Å; V340-Y352 HydrophobicContact CB-CE2 4.47Å; V340-Y352 HydrophobicContact CG2-CD2 4.36Å; V340-Y352 HydrophobicContact CG2-CE2 4.14Å
341	K	88.1	Confident	85	Confident	85 Å²	85	50.4 Å²	50.4	37%	0.37	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	143.8	-177.4	-63.4	-173.3	-177.5	-175.9	0	110.9	L296 R297 L345 N346	L296-K341 CarbonylContact C-O 3.6Å; L296-K341 WeakPolarHBondContact CA-O 3.45Å; R297-K341 HydrophobicContact CB-CB 4.44Å; R297-K341 PolarHBondContact N-O 3.13Å; R297-K341 PolarHBondContact O-N 2.97Å; K341-L345 CarbonylContact C-O 3.52Å; K341-L345 WeakPolarHBondContact CA-O 3.36Å; K341-N346 WeakPolarHBondContact CE-OD1 3.49Å; K341-N346 VanDerWaalsContact CG-OD1 3.31Å; K341-N346 WeakPolarHBondContact CG-OD1 3.41Å
342	L	84.3	Confident	85.4	Confident	5 Å²	5	46.4 Å²	46.4	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	115	177.1	-170	69.7	0	0	0	108.5	L253 P255 L280 V294 L296 G344 L345 V347	L253-L342 HydrophobicContact CD1-CD2 3.99Å; L253-L342 HydrophobicContact CD2-CD1 4.1Å; L253-L342 HydrophobicContact CD2-CD2 3.67Å; L253-L342 HydrophobicContact CD2-CG 4.13Å; L253-L342 HydrophobicContact CG-CD2 3.57Å; L253-L342 HydrophobicContact CG-CG 4.48Å; P255-L342 HydrophobicContact CB-CB 4.16Å; P255-L342 HydrophobicContact CB-CD2 4.39Å; P255-L342 HydrophobicContact CG-CB 4.07Å; P255-L342 HydrophobicContact CG-CD2 4.19Å; P255-L342 HydrophobicContact CG-CG 4.49Å; L280-L342 HydrophobicContact CD2-CD1 4.44Å; L280-L342 HydrophobicContact CD2-CD2 4.42Å; V294-L342 WeakPolarHBondContact O-CD1 3.49Å; L296-L342 HydrophobicContact CB-CD1 4.11Å; L296-L342 HydrophobicContact CD1-CD1 4.04Å; L342-G344 PolarHBondContact O-N 3.28Å; L342-G344 VanDerWaalsContact O-N 3.16Å; L342-L345 PolarHBondContact N-O 2.97Å; L342-L345 PolarHBondContact O-N 3.38Å; L342-V347 HydrophobicContact CB-CG1 4.05Å
343	G	74.1	Confident	85.8	Confident	36 Å²	36	48.7 Å²	48.7	37%	0.371	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	22.9	-174.8	0	0	0	0	0	114	R238 G295	R238-G343 PolarHBondContact NH2-O 2.76Å; G295-G343 PolarHBondContact O-N 3.43Å
344	G	73.7	Confident	86	Confident	49 Å²	49	48.2 Å²	48.2	51%	0.505	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.6	-11.2	-178.5	0	0	0	0	0	115.6	L342	L342-G344 PolarHBondContact O-N 3.28Å; L342-G344 VanDerWaalsContact O-N 3.16Å
345	L	79.4	Confident	86.3	Confident	95 Å²	95	51.5 Å²	51.5	50%	0.497	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	144.8	177.9	-63.1	173.2	0	0	0	111.2	P255 K341 L342	P255-L345 HydrophobicContact CB-CB 4.4Å; P255-L345 HydrophobicContact CG-CB 4.08Å; P255-L345 HydrophobicContact CG-CD1 4.42Å; K341-L345 CarbonylContact C-O 3.52Å; K341-L345 WeakPolarHBondContact CA-O 3.36Å; L342-L345 PolarHBondContact N-O 2.97Å; L342-L345 PolarHBondContact O-N 3.38Å
346	N	84.1	Confident	86.3	Confident	67 Å²	67	45.2 Å²	45.2	36%	0.358	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	137.8	174.8	-73.1	-4.8	0	0	0	110.8	K341 S350	K341-N346 WeakPolarHBondContact CE-OD1 3.49Å; K341-N346 VanDerWaalsContact CG-OD1 3.31Å; K341-N346 WeakPolarHBondContact CG-OD1 3.41Å; N346-S350 PolarHBondContact ND2-O 3.34Å
347	V	86.8	Confident	86.2	Confident	4 Å²	4	48.4 Å²	48.4	2%	0.024	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-71	167.7	165.3	-54.7	0	0	0	0	110.2	P255 C258 V260 V340 L342 Y349 S350 Y352	P255-V347 HydrophobicContact CB-CG1 4.44Å; P255-V347 WeakPolarHBondContact O-CA 3.46Å; P255-V347 WeakPolarHBondContact O-CB 3.37Å; C258-V347 HydrophobicContact CB-CB 4.31Å; C258-V347 HydrophobicContact CB-CG1 4.21Å; V260-V347 HydrophobicContact CG2-CG2 3.98Å; V340-V347 HydrophobicContact CB-CG2 3.68Å; V340-V347 HydrophobicContact CG1-CG1 4.03Å; V340-V347 HydrophobicContact CG1-CG2 3.66Å; V340-V347 WeakPolarHBondContact O-CG2 3.44Å; V340-V347 PolarHBondContact O-N 3.09Å; L342-V347 HydrophobicContact CB-CG1 4.05Å; V347-Y349 PolarHBondContact O-N 3Å; V347-S350 WeakPolarHBondContact O-CB 3.45Å; V347-S350 PolarHBondContact O-N 3.17Å; V347-Y352 HydrophobicContact CG2-CE2 4.44Å
348	A	81.4	Confident	85.9	Confident	20 Å²	20	45.5 Å²	45.5	17%	0.165	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	131	-179.2	0	0	0	0	0	112.4	P255 S350 Y352	P255-A348 PolarHBondContact O-N 2.81Å; A348-S350 PolarHBondContact O-N 3.24Å; A348-S350 VanDerWaalsContact O-N 3.17Å; A348-Y352 PolarHBondContact O-OH 3.42Å
349	Y	83.7	Confident	85.3	Confident	187 Å²	187	46 Å²	46	73%	0.733	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.2	6.3	179.7	-43.5	-73.9	0	0	0	116.3	V347 P351	V347-Y349 PolarHBondContact O-N 3Å; Y349-P351 CarbonylContact O-C 3.56Å
350	S	87.8	Confident	84.9	Confident	12 Å²	12	50.1 Å²	50.1	8%	0.084	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-83.5	137.5	173.7	-167.7	0	0	0	0	111.4	A339 V340 N346 V347 A348	A339-S350 WeakPolarHBondContact CA-OG 3.4Å; V340-S350 PolarHBondContact N-OG 3.11Å; V340-S350 PolarHBondContact O-OG 3.39Å; N346-S350 PolarHBondContact ND2-O 3.34Å; V347-S350 WeakPolarHBondContact O-CB 3.45Å; V347-S350 PolarHBondContact O-N 3.17Å; A348-S350 PolarHBondContact O-N 3.24Å; A348-S350 VanDerWaalsContact O-N 3.17Å
351	P	89.9	Confident	84.4	Confident	38 Å²	38	51 Å²	51	25%	0.247	27%	0.274	C	S	.	.	S	Bend	cis	-78.2	149.1	8	32.7	-36.3	0	0	0	114.6	E337 V338 A339 Y349	E337-P351 HydrophobicContact CG-CB 3.59Å; E337-P351 HydrophobicContact CG-CG 4.28Å; E337-P351 VanDerWaalsContact OE1-CB 3.28Å; E337-P351 WeakPolarHBondContact OE1-CB 3.47Å; E337-P351 VanDerWaalsContact OE1-CG 3.3Å; E337-P351 WeakPolarHBondContact OE1-CG 3.3Å; V338-P351 WeakPolarHBondContact O-CA 3.14Å; A339-P351 HydrophobicContact CB-CB 4.41Å; Y349-P351 CarbonylContact O-C 3.56Å
352	Y	91.3	Very high	84.3	Confident	29 Å²	29	48.6 Å²	48.6	11%	0.114	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	139.1	175.3	-53.5	-89.2	0	0	0	110.7	V260 W262 V338 V340 V347 A348	V260-Y352 HydrophobicContact CB-CE1 4.49Å; V260-Y352 HydrophobicContact CB-CE2 4.07Å; V260-Y352 VanDerWaalsContact CB-OH 3.3Å; V260-Y352 WeakPolarHBondContact CB-OH 3.36Å; V260-Y352 HydrophobicContact CG1-CE2 4.15Å; V260-Y352 HydrophobicContact CG2-CE2 3.87Å; V260-Y352 WeakPolarHBondContact CG2-OH 3.37Å; W262-Y352 HydrophobicContact CH2-CD2 4.26Å; W262-Y352 HydrophobicContact CH2-CG 4.31Å; W262-Y352 HydrophobicContact CZ2-CD1 4.01Å; W262-Y352 AromaticContact CZ2-CD2 3.8Å; W262-Y352 HydrophobicContact CZ2-CD2 3.8Å; W262-Y352 HydrophobicContact CZ2-CE2 4.46Å; W262-Y352 AromaticContact CZ2-CG 3.55Å; W262-Y352 HydrophobicContact CZ2-CG 3.55Å; V338-Y352 PolarHBondContact N-O 3.1Å; V338-Y352 WeakPolarHBondContact O-CD2 3.41Å; V338-Y352 PolarHBondContact O-N 2.78Å; V340-Y352 HydrophobicContact CB-CE2 4.47Å; V340-Y352 HydrophobicContact CG2-CD2 4.36Å; V340-Y352 HydrophobicContact CG2-CE2 4.14Å; V347-Y352 HydrophobicContact CG2-CE2 4.44Å; A348-Y352 PolarHBondContact O-OH 3.42Å
353	Y	89.9	Confident	84.3	Confident	128 Å²	128	48.8 Å²	48.8	50%	0.502	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	131.5	178	-62	-77.8	0	0	0	110.8	I303 Y336 E337	I303-Y353 HydrophobicContact CD1-CD1 3.79Å; I303-Y353 HydrophobicContact CD1-CE1 4.04Å; Y336-Y353 CarbonylContact O-C 3.55Å; Y336-Y353 WeakPolarHBondContact O-CA 3.17Å; E337-Y353 HydrophobicContact CB-CD1 4.37Å; E337-Y353 HydrophobicContact CB-CE1 4.15Å; E337-Y353 HydrophobicContact CG-CD1 4.46Å; E337-Y353 HydrophobicContact CG-CE1 3.94Å
354	K	88.1	Confident	84.4	Confident	17 Å²	17	50.5 Å²	50.5	7%	0.074	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	145.5	-178.9	-62.2	-62.4	-178.4	-169	0	110.9	W262 W264 E266 R335 Y336 V338 F356	W262-K354 VanDerWaalsContact CE2-NZ 3.29Å; W262-K354 HydrophobicContact CH2-CG 4.45Å; W262-K354 VanDerWaalsContact NE1-NZ 3.18Å; W264-K354 HydrophobicContact CZ2-CD 4.1Å; W264-K354 HydrophobicContact CZ2-CG 4.25Å; E266-K354 HydrophobicContact CG-CD 4.47Å; E266-K354 WeakPolarHBondContact OE1-CD 3.25Å; E266-K354 VanDerWaalsContact OE1-CE 3.28Å; E266-K354 WeakPolarHBondContact OE1-CE 2.99Å; E266-K354 IonicContact OE1-NZ 2.72Å; E266-K354 PolarHBondContact OE1-NZ 2.93Å; R335-K354 WeakPolarHBondContact CA-O 3.47Å; Y336-K354 PolarHBondContact N-O 3.04Å; Y336-K354 PolarHBondContact O-N 3.23Å; V338-K354 HydrophobicContact CG2-CG 4.25Å; K354-F356 HydrophobicContact CB-CE2 3.89Å; K354-F356 HydrophobicContact CB-CZ 4.24Å
355	I	87.7	Confident	84.8	Confident	89 Å²	89	50 Å²	50	46%	0.456	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.3	176.1	-51.8	-174.3	0	0	0	109	R335	R335-I355 HydrophobicContact CG-CG1 4.22Å
356	F	86.4	Confident	85	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.018	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	131.8	173.5	-62.7	-83	0	0	0	110.6	W264 Q268 V270 M274 F328 V330 A333 G334 Y336 K354	W264-F356 HydrophobicContact CZ2-CZ 4.27Å; Q268-F356 HydrophobicContact CB-CD1 4.09Å; Q268-F356 HydrophobicContact CB-CE1 4.22Å; Q268-F356 HydrophobicContact CG-CD1 4.43Å; Q268-F356 HydrophobicContact CG-CE1 4.45Å; Q268-F356 CarbonylContact O-C 3.6Å; Q268-F356 VanDerWaalsContact O-CA 3.25Å; Q268-F356 WeakPolarHBondContact O-CA 3.42Å; V270-F356 HydrophobicContact CG1-CB 3.98Å; M274-F356 HydrophobicContact CE-CD1 4.1Å; M274-F356 HydrophobicContact CE-CE1 3.43Å; M274-F356 VanDerWaalsContact CE-CE1 3.43Å; M274-F356 HydrophobicContact CE-CZ 3.85Å; M274-F356 HydrophobicContact CG-CE1 4.3Å; M274-F356 HydrophobicContact SD-CE1 4.31Å; F328-F356 HydrophobicContact CE2-CE2 4.38Å; F328-F356 AromaticContact CE2-CZ 3.85Å; F328-F356 HydrophobicContact CE2-CZ 3.85Å; F328-F356 AromaticContact CZ-CZ 3.98Å; F328-F356 HydrophobicContact CZ-CZ 3.98Å; V330-F356 HydrophobicContact CB-CD2 4.43Å; V330-F356 HydrophobicContact CG1-CD2 4.35Å; V330-F356 HydrophobicContact CG1-CE2 4.09Å; V330-F356 HydrophobicContact CG1-CZ 4.38Å; V330-F356 HydrophobicContact CG2-CB 3.92Å; V330-F356 HydrophobicContact CG2-CD1 3.46Å; V330-F356 VanDerWaalsContact CG2-CD1 3.46Å; V330-F356 HydrophobicContact CG2-CD2 3.67Å; V330-F356 HydrophobicContact CG2-CE1 3.82Å; V330-F356 HydrophobicContact CG2-CE2 3.99Å; V330-F356 HydrophobicContact CG2-CG 3.37Å; V330-F356 HydrophobicContact CG2-CZ 4.06Å; A333-F356 CarbonylContact C-O 3.58Å; A333-F356 WeakPolarHBondContact CA-O 3.33Å; G334-F356 PolarHBondContact N-O 3.39Å; G334-F356 PolarHBondContact O-N 2.88Å; Y336-F356 AromaticContact CD2-CD2 3.42Å; Y336-F356 HydrophobicContact CD2-CD2 3.42Å; Y336-F356 VanDerWaalsContact CD2-CD2 3.42Å; Y336-F356 AromaticContact CD2-CE2 3.93Å; Y336-F356 HydrophobicContact CD2-CE2 3.93Å; Y336-F356 AromaticContact CE2-CD2 3.8Å; Y336-F356 HydrophobicContact CE2-CD2 3.8Å; Y336-F356 HydrophobicContact CG-CD2 4.03Å; Y336-F356 HydrophobicContact CG-CE2 4.06Å; K354-F356 HydrophobicContact CB-CE2 3.89Å; K354-F356 HydrophobicContact CB-CZ 4.24Å
357	Q	86.2	Confident	85	Confident	66 Å²	66	47.2 Å²	47.2	31%	0.308	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	151	-180	-78.1	-178.8	-17.9	0	0	111.3	P267 Q268 E269 V270	P267-Q357 HydrophobicContact CB-CG 3.9Å; P267-Q357 VanDerWaalsContact CG-CD 3.48Å; P267-Q357 HydrophobicContact CG-CG 4.34Å; P267-Q357 VanDerWaalsContact CG-NE2 3.35Å; Q268-Q357 PolarHBondContact O-N 3.49Å; E269-Q357 WeakPolarHBondContact CA-O 3.33Å; V270-Q357 WeakPolarHBondContact CG1-O 3.22Å; V270-Q357 PolarHBondContact N-O 2.77Å
358	P	83.8	Confident	85	Confident	10 Å²	10	47.3 Å²	47.3	7%	0.065	24%	0.239	C	C	.	.			trans	-61.9	151.5	171	29.6	-34.9	0	0	0	110.1	A333 N395 P396 T397 N399	A333-P358 HydrophobicContact CB-CB 4.05Å; A333-P358 HydrophobicContact CB-CG 4.49Å; P358-N395 HydrophobicContact CB-CB 3.86Å; P358-P396 WeakPolarHBondContact CG-O 3.47Å; P358-T397 HydrophobicContact CB-CG2 4.35Å; P358-N399 PolarHBondContact O-ND2 2.86Å
359	G	80.4	Confident	85	Confident	9 Å²	9	47.1 Å²	47.1	9%	0.093	24%	0.238	C	C	.	.			trans	-75.1	-168.6	176.7	0	0	0	0	0	113.4	D391 T397	G359-D391 PolarHBondContact N-OD2 2.72Å; G359-T397 VanDerWaalsContact O-CG2 3.28Å; G359-T397 WeakPolarHBondContact O-CG2 3.17Å
360	T	82.8	Confident	84.7	Confident	103 Å²	103	45.2 Å²	45.2	63%	0.632	23%	0.23	S	C	*	.			trans	-69.1	156.9	175.4	56.1	0	0	0	0	112.4	V362 D391	T360-V362 PolarHBondContact O-N 3.27Å; T360-D391 WeakPolarHBondContact O-CA 3.42Å; T360-D391 WeakPolarHBondContact O-CB 3.36Å
361	V	83.3	Confident	84.3	Confident	17 Å²	17	45.9 Å²	45.9	10%	0.103	23%	0.232	C	C	.	.			trans	-62.6	126.6	177.8	179.5	0	0	0	0	110.2	T366 P389 T397 Y459	V361-T366 WeakPolarHBondContact CG1-OG1 3.14Å; V361-P389 HydrophobicContact CG1-CB 4.1Å; V361-P389 HydrophobicContact CG2-CB 3.85Å; V361-T397 HydrophobicContact CG2-CG2 4.38Å; V361-Y459 HydrophobicContact CB-CE1 3.89Å; V361-Y459 HydrophobicContact CG1-CD1 4.09Å; V361-Y459 HydrophobicContact CG1-CE1 3.92Å; V361-Y459 HydrophobicContact CG1-CE2 4.39Å; V361-Y459 HydrophobicContact CG1-CG 4.38Å
362	V	84.7	Confident	83.8	Confident	35 Å²	35	45.1 Å²	45.1	21%	0.212	23%	0.225	C	C	.	.			trans	-110.3	116.7	174.5	178.3	0	0	0	0	109.1	T360 S364 K365 T366 R390 E392	T360-V362 PolarHBondContact O-N 3.27Å; V362-S364 VanDerWaalsContact C-N 3.3Å; V362-S364 WeakPolarHBondContact CG1-OG 3.43Å; V362-S364 PolarHBondContact O-N 3.14Å; V362-K365 HydrophobicContact CB-CB 4.25Å; V362-K365 HydrophobicContact CB-CG 4.11Å; V362-K365 HydrophobicContact CG1-CB 4.41Å; V362-K365 HydrophobicContact CG1-CG 3.91Å; V362-K365 PolarHBondContact O-N 3.3Å; V362-T366 WeakPolarHBondContact O-CB 3.42Å; V362-T366 PolarHBondContact O-N 3.04Å; V362-T366 PolarHBondContact O-OG1 3.2Å; V362-R390 PolarHBondContact N-O 3.5Å; V362-E392 HydrophobicContact CG2-CB 4.15Å
363	P	84.6	Confident	83.4	Confident	10 Å²	10	45.2 Å²	45.2	7%	0.065	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-42.8	-178.5	-28.1	32.7	0	0	0	114	K365 T366 Y459 Q462 L464 S465	P363-K365 PolarHBondContact O-N 2.96Å; P363-T366 PolarHBondContact O-N 2.92Å; P363-Y459 HydrophobicContact CG-CD1 3.95Å; P363-Q462 HydrophobicContact CB-CB 3.88Å; P363-Q462 HydrophobicContact CG-CB 3.74Å; P363-L464 HydrophobicContact CB-CD2 4.32Å; P363-S465 PolarHBondContact O-N 3.29Å
364	S	77.4	Confident	83.4	Confident	71 Å²	71	39.6 Å²	39.6	50%	0.497	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-11.4	-179.1	64.8	0	0	0	0	114.5	V362 S465	V362-S364 VanDerWaalsContact C-N 3.3Å; V362-S364 WeakPolarHBondContact CG1-OG 3.43Å; V362-S364 PolarHBondContact O-N 3.14Å; S364-S465 WeakPolarHBondContact O-CB 3.39Å
365	K	80.4	Confident	83.5	Confident	40 Å²	40	39.4 Å²	39.4	17%	0.174	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-23.5	175.3	-58.9	-71.2	177.8	137.6	0	111.7	V362 P363 R390 D391 E392 H1002	V362-K365 HydrophobicContact CB-CB 4.25Å; V362-K365 HydrophobicContact CB-CG 4.11Å; V362-K365 HydrophobicContact CG1-CB 4.41Å; V362-K365 HydrophobicContact CG1-CG 3.91Å; V362-K365 PolarHBondContact O-N 3.3Å; P363-K365 PolarHBondContact O-N 2.96Å; K365-R390 HydrophobicContact CB-CB 3.89Å; K365-R390 WeakPolarHBondContact O-CB 3.47Å; K365-D391 VanDerWaalsContact CB-O 3.3Å; K365-D391 WeakPolarHBondContact CB-O 3.43Å; K365-D391 WeakPolarHBondContact CG-O 3.47Å; K365-E392 WeakPolarHBondContact CE-O 3.36Å; K365-E392 PolarHBondContact NZ-O 3.08Å; K365-H1002 PolarHBondContact NZ-CE1 3.11Å
366	T	85.4	Confident	83.8	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.189	C	C	.	.			trans	-73.4	136.3	176.6	-63.1	0	0	0	0	110.1	V361 V362 P363 I387 R390 L464 S465	V361-T366 WeakPolarHBondContact CG1-OG1 3.14Å; V362-T366 WeakPolarHBondContact O-CB 3.42Å; V362-T366 PolarHBondContact O-N 3.04Å; V362-T366 PolarHBondContact O-OG1 3.2Å; P363-T366 PolarHBondContact O-N 2.92Å; T366-I387 HydrophobicContact CG2-CG2 3.46Å; T366-I387 VanDerWaalsContact CG2-CG2 3.46Å; T366-R390 PolarHBondContact OG1-N 3.38Å; T366-R390 VanDerWaalsContact OG1-N 3.12Å; T366-L464 HydrophobicContact CG2-CD1 4.35Å; T366-L464 HydrophobicContact CG2-CD2 3.84Å; T366-S465 PolarHBondContact O-N 3.23Å; T366-S465 PolarHBondContact O-OG 3.41Å
367	K	83.4	Confident	84.2	Confident	103 Å²	103	36 Å²	36	45%	0.448	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	147.4	-173.7	-74.6	178.3	-179.9	-165.2	0	111.1	I387 E388 S465 N466	K367-I387 CarbonylContact O-C 3.48Å; K367-I387 WeakPolarHBondContact O-CA 3.26Å; K367-E388 PolarHBondContact N-O 3.46Å; K367-E388 PolarHBondContact O-N 3.43Å; K367-S465 WeakPolarHBondContact CG-OG 3.47Å; K367-N466 VanDerWaalsContact CA-OD1 3.27Å; K367-N466 WeakPolarHBondContact CA-OD1 3.48Å
368	I	86.4	Confident	84.7	Confident	5 Å²	5	33.3 Å²	33.3	3%	0.026	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	120.8	160.6	-53	170	0	0	0	106.8	H371 L385 Q386 I387 I457 L464 N466 F469	I368-H371 HydrophobicContact CB-CB 4.24Å; I368-H371 HydrophobicContact CG2-CB 4.41Å; I368-H371 WeakPolarHBondContact O-CB 3.36Å; I368-L385 HydrophobicContact CG2-CB 4.27Å; I368-L385 HydrophobicContact CG2-CD2 4.24Å; I368-Q386 CarbonylContact C-O 3.15Å; I368-Q386 WeakPolarHBondContact CA-O 3.41Å; I368-I387 HydrophobicContact CG1-CG1 4.2Å; I368-I457 HydrophobicContact CD1-CD1 3.71Å; I368-L464 HydrophobicContact CG1-CD1 4.45Å; I368-N466 WeakPolarHBondContact CD1-O 3.3Å; I368-N466 PolarHBondContact N-OD1 2.87Å; I368-N466 PolarHBondContact O-ND2 2.76Å; I368-F469 HydrophobicContact CD1-CD1 4.26Å; I368-F469 HydrophobicContact CD1-CE1 3.78Å
369	A	82.5	Confident	85.2	Confident	17 Å²	17	36 Å²	36	14%	0.14	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	145.5	172.1	0	0	0	0	0	110.4	H371 Q386 E388	A369-H371 PolarHBondContact O-N 3.34Å; A369-Q386 HydrophobicContact CB-CB 4.15Å; A369-Q386 PolarHBondContact N-O 3.36Å; A369-E388 HydrophobicContact CB-CG 4.13Å
370	Y	76.3	Confident	85.7	Confident	146 Å²	146	37.9 Å²	37.9	57%	0.573	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.2	40.4	-177	-47.4	-75.2	0	0	0	113.1	G632	Y370-G632 CarbonylContact C-O 3.55Å
371	H	78.4	Confident	86.2	Confident	26 Å²	26	37.9 Å²	37.9	12%	0.12	21%	0.205	C	C	.	.			trans	-73.5	148.1	-177.9	174.9	88.5	0	0	0	112.6	I368 A369 N466 F469	I368-H371 HydrophobicContact CB-CB 4.24Å; I368-H371 HydrophobicContact CG2-CB 4.41Å; I368-H371 WeakPolarHBondContact O-CB 3.36Å; A369-H371 PolarHBondContact O-N 3.34Å; H371-N466 WeakPolarHBondContact CB-ND2 3.38Å; H371-N466 PolarHBondContact CE1-O 2.97Å; H371-N466 VanDerWaalsContact CG-ND2 3.33Å; H371-N466 PolarHBondContact ND1-O 2.97Å; H371-F469 AromaticContact CE1-CD1 3.8Å
372	F	80.1	Confident	86.7	Confident	23 Å²	23	41.4 Å²	41.4	10%	0.101	22%	0.221	C	C	.	.			trans	-133	146.2	170	-64.5	-83.9	0	0	0	109.7	T374 L375 H627 I630 G632	F372-T374 PolarHBondContact O-N 2.83Å; F372-T374 VanDerWaalsContact O-N 3.16Å; F372-L375 HydrophobicContact CB-CD2 4.21Å; F372-L375 HydrophobicContact CD2-CD2 4.18Å; F372-H627 AromaticContact CD1-CD2 3.29Å; F372-H627 WeakPolarHBondContact CD1-CD2 3.23Å; F372-H627 AromaticContact CD1-CE1 3.66Å; F372-H627 AromaticContact CD1-CG 3.79Å; F372-H627 AromaticContact CD1-ND1 3.99Å; F372-H627 AromaticContact CD1-NE2 3.24Å; F372-H627 WeakPolarHBondContact CD1-NE2 3.47Å; F372-H627 AromaticContact CD2-CE1 3.7Å; F372-H627 HydrophobicContact CE1-CB 3.89Å; F372-H627 AromaticContact CE1-CD2 3.39Å; F372-H627 WeakPolarHBondContact CE1-CD2 3.28Å; F372-H627 AromaticContact CE1-CG 3.46Å; F372-H627 VanDerWaalsContact CE1-CG 3.46Å; F372-H627 AromaticContact CE1-ND1 3.86Å; F372-H627 AromaticContact CE1-NE2 3.78Å; F372-H627 AromaticContact CE2-ND1 3.89Å; F372-H627 AromaticContact CG-CD2 3.9Å; F372-H627 AromaticContact CG-CE1 3.44Å; F372-H627 VanDerWaalsContact CG-CE1 3.44Å; F372-H627 WeakPolarHBondContact CG-CE1 3.4Å; F372-H627 AromaticContact CG-NE2 3.36Å; F372-H627 WeakPolarHBondContact CG-NE2 3.45Å; F372-H627 HydrophobicContact CZ-CB 3.97Å; F372-H627 AromaticContact CZ-CG 3.69Å; F372-H627 AromaticContact CZ-ND1 3.74Å; F372-I630 HydrophobicContact CD1-CD1 3.91Å; F372-I630 HydrophobicContact CE1-CD1 3.71Å; F372-I630 HydrophobicContact CE1-CG1 3.91Å; F372-G632 WeakPolarHBondContact CE2-O 3.21Å; F372-G632 VanDerWaalsContact CZ-O 3.3Å; F372-G632 WeakPolarHBondContact CZ-O 3.46Å
373	S	82.9	Confident	87.1	Confident	31 Å²	31	42.7 Å²	42.7	22%	0.217	23%	0.225	C	C	.	.	S	Bend	trans	-64.1	-19.4	176	73.6	0	0	0	0	112.8	D470 E634	S373-D470 PolarHBondContact O-N 3.5Å; S373-E634 PolarHBondContact N-OE1 3.42Å; S373-E634 PolarHBondContact N-OE2 2.88Å; S373-E634 PolarHBondContact OG-OE1 3.34Å
374	T	89.9	Confident	87.5	Confident	9 Å²	9	44.8 Å²	44.8	6%	0.055	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	123.2	175.8	-52.8	0	0	0	0	111.6	F372 D470 I472 I623 H627	F372-T374 PolarHBondContact O-N 2.83Å; F372-T374 VanDerWaalsContact O-N 3.16Å; T374-D470 CarbonylContact C-O 3.58Å; T374-D470 VanDerWaalsContact CA-O 3.25Å; T374-D470 WeakPolarHBondContact CA-O 3.34Å; T374-D470 HydrophobicContact CG2-CB 4Å; T374-I472 HydrophobicContact CG2-CD1 3.91Å; T374-I472 HydrophobicContact CG2-CG1 3.9Å; T374-I623 HydrophobicContact CG2-CD1 4.22Å; T374-I623 HydrophobicContact CG2-CG1 4.01Å; T374-I623 HydrophobicContact CG2-CG2 4.27Å; T374-I623 WeakPolarHBondContact O-CG2 3.29Å; T374-H627 PolarHBondContact O-CE1 3.48Å; T374-H627 PolarHBondContact O-NE2 3.45Å
375	L	91.4	Very high	88.1	Confident	13 Å²	13	42 Å²	42	7%	0.068	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	141.8	173.6	-62.7	-179.3	0	0	0	111.3	F372 L377 L385 F469 D470 I471 I472	F372-L375 HydrophobicContact CB-CD2 4.21Å; F372-L375 HydrophobicContact CD2-CD2 4.18Å; L375-L377 HydrophobicContact CB-CD2 4.36Å; L375-L377 HydrophobicContact CB-CG 4.4Å; L375-L385 HydrophobicContact CD1-CD2 3.84Å; L375-F469 HydrophobicContact CD1-CD2 3.91Å; L375-F469 HydrophobicContact CD1-CE2 3.42Å; L375-F469 VanDerWaalsContact CD1-CE2 3.42Å; L375-F469 HydrophobicContact CD1-CZ 4.19Å; L375-F469 HydrophobicContact CG-CD2 3.99Å; L375-F469 HydrophobicContact CG-CE2 4.03Å; L375-D470 PolarHBondContact N-O 3.25Å; L375-I471 CarbonylContact O-C 3.48Å; L375-I471 WeakPolarHBondContact O-CA 3.16Å; L375-I472 PolarHBondContact O-N 2.95Å
376	V	93.6	Very high	88.6	Confident	10 Å²	10	43.1 Å²	43.1	6%	0.061	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	110.1	171.4	-178.3	0	0	0	0	108.5	I472 L474 A620 I623 R624	V376-I472 CarbonylContact C-O 3.49Å; V376-I472 WeakPolarHBondContact CA-O 3.34Å; V376-I472 HydrophobicContact CG2-CD1 4.43Å; V376-L474 HydrophobicContact CG1-CD1 3.65Å; V376-L474 HydrophobicContact CG1-CG 4.17Å; V376-A620 HydrophobicContact CG1-CB 3.9Å; V376-A620 HydrophobicContact CG2-CB 4.11Å; V376-I623 HydrophobicContact CG2-CB 4Å; V376-I623 HydrophobicContact CG2-CG2 3.7Å; V376-R624 HydrophobicContact CG2-CG 4.44Å; V376-R624 PolarHBondContact O-NH2 3.35Å
377	L	94.8	Very high	88.8	Confident	11 Å²	11	43.1 Å²	43.1	6%	0.058	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	163.5	-177.3	-56.3	-172.8	0	0	0	111.3	L375 H383 L447 I471 I472 V473 L474	L375-L377 HydrophobicContact CB-CD2 4.36Å; L375-L377 HydrophobicContact CB-CG 4.4Å; L377-H383 HydrophobicContact CD1-CB 4.25Å; L377-H383 HydrophobicContact CD2-CB 3.72Å; L377-L447 HydrophobicContact CD1-CD1 4.21Å; L377-I471 HydrophobicContact CB-CG2 4.34Å; L377-I471 HydrophobicContact CD1-CG2 3.61Å; L377-I471 HydrophobicContact CG-CG2 3.83Å; L377-I472 PolarHBondContact N-O 2.67Å; L377-V473 WeakPolarHBondContact O-CA 3.42Å; L377-L474 PolarHBondContact O-N 2.82Å
378	T	95.3	Very high	89	Confident	11 Å²	11	40.6 Å²	40.6	7%	0.067	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	139.1	173.5	-39.4	0	0	0	0	109.2	G380 Q381 L474 E476 K479	T378-G380 PolarHBondContact O-N 3.28Å; T378-Q381 VanDerWaalsContact CB-OE1 3.26Å; T378-Q381 WeakPolarHBondContact O-CB 3.18Å; T378-Q381 PolarHBondContact O-N 3.26Å; T378-Q381 PolarHBondContact OG1-OE1 2.91Å; T378-L474 CarbonylContact C-O 3.58Å; T378-L474 WeakPolarHBondContact CA-O 3.15Å; T378-E476 VanDerWaalsContact CG2-OE2 3.28Å; T378-E476 WeakPolarHBondContact CG2-OE2 3.46Å; T378-K479 HydrophobicContact CG2-CD 3.78Å; T378-K479 WeakPolarHBondContact OG1-CD 3.11Å
379	N	94.4	Very high	89	Confident	66 Å²	66	40.7 Å²	40.7	35%	0.353	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	126.7	177.8	-171.6	13.5	0	0	0	111.5	Q381 L447 R448 T450 V473 L474	N379-Q381 PolarHBondContact O-N 3.17Å; N379-L447 PolarHBondContact OD1-O 2.86Å; N379-R448 WeakPolarHBondContact OD1-CA 3.35Å; N379-R448 PolarHBondContact OD1-O 3.11Å; N379-T450 HydrophobicContact CB-CG2 4.01Å; N379-V473 HydrophobicContact CB-CG1 4.04Å; N379-L474 WeakPolarHBondContact CB-O 3.44Å; N379-L474 PolarHBondContact N-O 3.22Å
380	G	91.5	Very high	89.1	Confident	48 Å²	48	42.4 Å²	42.4	50%	0.495	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	-6.1	179.5	0	0	0	0	0	115.4	T378 T446 L447	T378-G380 PolarHBondContact O-N 3.28Å; G380-T446 WeakPolarHBondContact O-CG2 3.22Å; G380-L447 PolarHBondContact N-O 2.96Å
381	Q	93.3	Very high	89.4	Confident	103 Å²	103	35.5 Å²	35.5	48%	0.481	19%	0.189	S	C	.	.			trans	-85.4	131.4	179.1	-168.8	176.1	2.4	0	0	111	T378 N379	T378-Q381 VanDerWaalsContact CB-OE1 3.26Å; T378-Q381 WeakPolarHBondContact O-CB 3.18Å; T378-Q381 PolarHBondContact O-N 3.26Å; T378-Q381 PolarHBondContact OG1-OE1 2.91Å; N379-Q381 PolarHBondContact O-N 3.17Å
382	Q	93.5	Very high	89.5	Confident	92 Å²	92	38.3 Å²	38.3	43%	0.43	20%	0.202	S	C	.	.			trans	-72.8	129.6	175.8	-176.6	175.7	80.8	0	0	110.9	R444 T446	Q382-R444 HydrophobicContact CG-CB 4.01Å; Q382-R444 HydrophobicContact CG-CG 4.46Å; Q382-T446 WeakPolarHBondContact CA-OG1 3.31Å
383	H	93.4	Very high	89.4	Confident	62 Å²	62	40.3 Å²	40.3	29%	0.287	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	143.8	172	-172.1	69.5	0	0	0	110.1	L377 R444 L445	L377-H383 HydrophobicContact CD1-CB 4.25Å; L377-H383 HydrophobicContact CD2-CB 3.72Å; H383-R444 CarbonylContact O-C 3.42Å; H383-R444 VanDerWaalsContact O-CA 3.28Å; H383-R444 WeakPolarHBondContact O-CA 3.42Å; H383-L445 PolarHBondContact N-O 3.05Å; H383-L445 PolarHBondContact O-N 3.03Å
384	T	92.9	Very high	88.9	Confident	54 Å²	54	40.3 Å²	40.3	33%	0.331	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	118.8	-179.8	-53.5	0	0	0	0	109.4	L442 R444	T384-L442 HydrophobicContact CG2-CB 4.08Å; T384-L442 HydrophobicContact CG2-CD2 4.24Å; T384-R444 HydrophobicContact CG2-CG 4.17Å
385	L	91.4	Very high	88.5	Confident	13 Å²	13	40.3 Å²	40.3	7%	0.068	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	130.8	170.5	-63.1	173.6	0	0	0	109.1	I368 L375 L443 I457 F469	I368-L385 HydrophobicContact CG2-CB 4.27Å; I368-L385 HydrophobicContact CG2-CD2 4.24Å; L375-L385 HydrophobicContact CD1-CD2 3.84Å; L385-L443 HydrophobicContact CB-CB 4.27Å; L385-L443 HydrophobicContact CD1-CD2 4.03Å; L385-L443 PolarHBondContact N-O 2.78Å; L385-L443 PolarHBondContact O-N 2.67Å; L385-I457 HydrophobicContact CD1-CD1 3.62Å; L385-F469 HydrophobicContact CD1-CE1 4.47Å; L385-F469 HydrophobicContact CD1-CZ 3.77Å
386	Q	90	Very high	87.8	Confident	62 Å²	62	42.8 Å²	42.8	29%	0.29	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	119.1	175.6	-64.9	-178.2	-2.7	0	0	108	I368 A369 V441 L442	I368-Q386 CarbonylContact C-O 3.15Å; I368-Q386 WeakPolarHBondContact CA-O 3.41Å; A369-Q386 HydrophobicContact CB-CB 4.15Å; A369-Q386 PolarHBondContact N-O 3.36Å; Q386-V441 CarbonylContact C-O 3.57Å; Q386-L442 HydrophobicContact CG-CD2 3.8Å
387	I	89.1	Confident	86.9	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	134.5	176.1	-62.3	167.4	0	0	0	107	T366 K367 I368 P389 Y409 Q440 V441 L443 I457 L464	T366-I387 HydrophobicContact CG2-CG2 3.46Å; T366-I387 VanDerWaalsContact CG2-CG2 3.46Å; K367-I387 CarbonylContact O-C 3.48Å; K367-I387 WeakPolarHBondContact O-CA 3.26Å; I368-I387 HydrophobicContact CG1-CG1 4.2Å; I387-P389 WeakPolarHBondContact O-CD 3.42Å; I387-Y409 HydrophobicContact CD1-CD1 4Å; I387-Y409 HydrophobicContact CD1-CE1 3.99Å; I387-Y409 HydrophobicContact CG2-CE1 3.98Å; I387-Q440 CarbonylContact O-C 3.54Å; I387-Q440 WeakPolarHBondContact O-CA 3.42Å; I387-V441 HydrophobicContact CB-CB 4.05Å; I387-V441 HydrophobicContact CB-CG1 4.47Å; I387-V441 HydrophobicContact CD1-CG1 4.44Å; I387-V441 PolarHBondContact N-O 3.48Å; I387-V441 PolarHBondContact O-N 2.9Å; I387-L443 HydrophobicContact CD1-CB 3.97Å; I387-I457 HydrophobicContact CD1-CG2 4.25Å; I387-L464 HydrophobicContact CD1-CD1 4.09Å; I387-L464 HydrophobicContact CG1-CD1 4.36Å; I387-L464 HydrophobicContact CG2-CD1 4.11Å
388	E	87.5	Confident	85.3	Confident	51 Å²	51	46.3 Å²	46.3	24%	0.238	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	97.8	175.8	-72.5	-170.5	174.5	0	0	109.1	K367 A369 R390 Q440	K367-E388 PolarHBondContact N-O 3.46Å; K367-E388 PolarHBondContact O-N 3.43Å; A369-E388 HydrophobicContact CB-CG 4.13Å; E388-R390 PolarHBondContact O-N 3.12Å; E388-R390 IonicContact OE2-CZ 3.88Å; E388-R390 IonicContact OE2-NH1 3.95Å; E388-R390 IonicContact OE2-NH2 3.68Å; E388-R390 PolarHBondContact OE2-NH2 3.33Å; E388-Q440 HydrophobicContact CG-CG 3.96Å; E388-Q440 PolarHBondContact OE1-NE2 2.91Å
389	P	85.9	Confident	83.2	Confident	6 Å²	6	47.1 Å²	47.1	4%	0.039	26%	0.26	C	S	.	.			trans	-66.8	135	179.1	-18.5	34.9	0	0	0	110.3	V361 I387 T397 C439 V441	V361-P389 HydrophobicContact CG1-CB 4.1Å; V361-P389 HydrophobicContact CG2-CB 3.85Å; I387-P389 WeakPolarHBondContact O-CD 3.42Å; P389-T397 VanDerWaalsContact CB-OG1 3.26Å; P389-T397 WeakPolarHBondContact CB-OG1 3.43Å; P389-T397 PolarHBondContact O-N 2.87Å; P389-T397 PolarHBondContact O-OG1 2.84Å; P389-C439 WeakPolarHBondContact CD-O 3.38Å; P389-V441 HydrophobicContact CG-CB 4.4Å; P389-V441 HydrophobicContact CG-CG2 3.68Å
390	R	84.9	Confident	80.9	Confident	54 Å²	54	49.3 Å²	49.3	20%	0.204	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-135.4	144.9	-176.1	-65.2	-64.4	-169.7	-107.8	-2.2	110.9	V362 K365 T366 E388 N395	V362-R390 PolarHBondContact N-O 3.5Å; K365-R390 HydrophobicContact CB-CB 3.89Å; K365-R390 WeakPolarHBondContact O-CB 3.47Å; T366-R390 PolarHBondContact OG1-N 3.38Å; T366-R390 VanDerWaalsContact OG1-N 3.12Å; E388-R390 PolarHBondContact O-N 3.12Å; E388-R390 IonicContact OE2-CZ 3.88Å; E388-R390 IonicContact OE2-NH1 3.95Å; E388-R390 IonicContact OE2-NH2 3.68Å; E388-R390 PolarHBondContact OE2-NH2 3.33Å; R390-N395 WeakPolarHBondContact CA-O 3.34Å; R390-N395 WeakPolarHBondContact CD-O 3.19Å
391	D	83.7	Confident	78.7	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	29%	0.291	C	S	.	.			trans	-80.2	-179.9	170.6	73.5	7.2	0	0	0	111.8	V270 G359 T360 K365 Y393 G394 N395 T397	V270-D391 VanDerWaalsContact CG2-OD2 3.29Å; V270-D391 WeakPolarHBondContact CG2-OD2 3.42Å; G359-D391 PolarHBondContact N-OD2 2.72Å; T360-D391 WeakPolarHBondContact O-CA 3.42Å; T360-D391 WeakPolarHBondContact O-CB 3.36Å; K365-D391 VanDerWaalsContact CB-O 3.3Å; K365-D391 WeakPolarHBondContact CB-O 3.43Å; K365-D391 WeakPolarHBondContact CG-O 3.47Å; D391-Y393 PolarHBondContact O-N 2.82Å; D391-Y393 VanDerWaalsContact O-N 3.11Å; D391-Y393 WeakPolarHBondContact OD1-CA 3.14Å; D391-Y393 PolarHBondContact OD1-N 3.37Å; D391-G394 PolarHBondContact O-N 3.36Å; D391-G394 PolarHBondContact OD1-N 2.88Å; D391-N395 PolarHBondContact N-O 3.14Å; D391-N395 VanDerWaalsContact N-O 3.15Å; D391-N395 PolarHBondContact OD1-N 3Å; D391-N395 PolarHBondContact OD1-ND2 3.44Å; D391-N395 WeakPolarHBondContact OD2-CB 3.35Å; D391-N395 PolarHBondContact OD2-ND2 2.97Å; D391-T397 HydrophobicContact CB-CG2 3.86Å; D391-T397 VanDerWaalsContact N-CG2 3.35Å
392	E	79.9	Confident	76.3	Confident	85 Å²	85	49.8 Å²	49.8	40%	0.397	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-31.5	179.2	-170.2	177.1	179	0	0	113.7	V362 K365	V362-E392 HydrophobicContact CG2-CB 4.15Å; K365-E392 WeakPolarHBondContact CE-O 3.36Å; K365-E392 PolarHBondContact NZ-O 3.08Å
393	Y	77.3	Confident	73.7	Confident	64 Å²	64	53.4 Å²	53.4	25%	0.251	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	5.9	-176.4	-52.2	-73.9	0	0	0	113.4	V270 G271 R331 D391	V270-Y393 HydrophobicContact CB-CD2 4.4Å; V270-Y393 HydrophobicContact CG2-CD2 3.75Å; V270-Y393 HydrophobicContact CG2-CE2 4.28Å; G271-Y393 VanDerWaalsContact CA-CZ 3.4Å; G271-Y393 WeakPolarHBondContact CA-OH 3.34Å; R331-Y393 HydrophobicContact CB-CD1 3.72Å; R331-Y393 HydrophobicContact CB-CE1 4.27Å; R331-Y393 HydrophobicContact CB-CG 3.96Å; R331-Y393 HydrophobicContact CG-CD1 3.63Å; R331-Y393 HydrophobicContact CG-CE1 3.67Å; R331-Y393 HydrophobicContact CG-CG 4.28Å; R331-Y393 WeakPolarHBondContact O-CB 3.4Å; D391-Y393 PolarHBondContact O-N 2.82Å; D391-Y393 VanDerWaalsContact O-N 3.11Å; D391-Y393 WeakPolarHBondContact OD1-CA 3.14Å; D391-Y393 PolarHBondContact OD1-N 3.37Å
394	G	73.6	Confident	71.7	Confident	32 Å²	32	54.4 Å²	54.4	33%	0.33	32%	0.315	S	S	.	.			trans	76.4	20.3	177.7	0	0	0	0	0	114.1	D391	D391-G394 PolarHBondContact O-N 3.36Å; D391-G394 PolarHBondContact OD1-N 2.88Å
395	N	80.7	Confident	70.1	Confident	8 Å²	8	52.5 Å²	52.5	4%	0.043	30%	0.303	C	S	.	.			trans	-76.3	140.3	171.9	-54.8	-67.4	0	0	0	109.8	R331 K332 A333 P358 R390 D391 T397	R331-N395 PolarHBondContact O-ND2 2.8Å; K332-N395 WeakPolarHBondContact CA-OD1 3.44Å; A333-N395 HydrophobicContact CB-CB 4.04Å; A333-N395 PolarHBondContact N-OD1 3.19Å; A333-N395 VanDerWaalsContact N-OD1 3.08Å; P358-N395 HydrophobicContact CB-CB 3.86Å; R390-N395 WeakPolarHBondContact CA-O 3.34Å; R390-N395 WeakPolarHBondContact CD-O 3.19Å; D391-N395 PolarHBondContact N-O 3.14Å; D391-N395 VanDerWaalsContact N-O 3.15Å; D391-N395 PolarHBondContact OD1-N 3Å; D391-N395 PolarHBondContact OD1-ND2 3.44Å; D391-N395 WeakPolarHBondContact OD2-CB 3.35Å; D391-N395 PolarHBondContact OD2-ND2 2.97Å; N395-T397 PolarHBondContact O-N 2.86Å
396	P	78	Confident	68.8	Low	66 Å²	66	57.2 Å²	57.2	43%	0.429	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-58.3	118.4	168.3	-20	31.7	0	0	0	109.9	P358 S398	P358-P396 WeakPolarHBondContact CG-O 3.47Å; P396-S398 PolarHBondContact O-N 3.34Å
397	T	74	Confident	67.7	Low	17 Å²	17	62.7 Å²	62.7	10%	0.104	35%	0.35	C	S	.	.			trans	-82.6	115.5	177.7	59.9	0	0	0	0	108.5	P358 G359 V361 P389 D391 N395	P358-T397 HydrophobicContact CB-CG2 4.35Å; G359-T397 VanDerWaalsContact O-CG2 3.28Å; G359-T397 WeakPolarHBondContact O-CG2 3.17Å; V361-T397 HydrophobicContact CG2-CG2 4.38Å; P389-T397 VanDerWaalsContact CB-OG1 3.26Å; P389-T397 WeakPolarHBondContact CB-OG1 3.43Å; P389-T397 PolarHBondContact O-N 2.87Å; P389-T397 PolarHBondContact O-OG1 2.84Å; D391-T397 HydrophobicContact CB-CG2 3.86Å; D391-T397 VanDerWaalsContact N-CG2 3.35Å; N395-T397 PolarHBondContact O-N 2.86Å
398	S	60.8	Low	67.4	Low	78 Å²	78	64.4 Å²	64.4	55%	0.545	36%	0.36	S	S	.	.			trans	-109.9	9.6	174	67.5	0	0	0	0	112.5	P396 S400 C439	P396-S398 PolarHBondContact O-N 3.34Å; S398-S400 PolarHBondContact O-N 2.98Å; S398-C439 WeakPolarHBondContact CB-SG 3.32Å
399	N	52.2	Low	67.3	Low	28 Å²	28	62 Å²	62	15%	0.15	35%	0.348	C	S	.	.			trans	-64.5	126.5	-164.7	-81.7	-0.3	0	0	0	112.3	P358 T401 S402	P358-N399 PolarHBondContact O-ND2 2.86Å; N399-T401 PolarHBondContact O-N 2.98Å; N399-S402 PolarHBondContact O-OG 2.95Å
400	S	45.6	Very low	67.5	Low	112 Å²	112	62.8 Å²	62.8	78%	0.783	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	3.2	175.6	46.4	0	0	0	0	114.3	S398	S398-S400 PolarHBondContact O-N 2.98Å
401	T	44.5	Very low	67.7	Low	116 Å²	116	60.4 Å²	60.4	71%	0.712	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-6.8	-178.5	16	0	0	0	0	114.4	N399 L403	N399-T401 PolarHBondContact O-N 2.98Å; T401-L403 PolarHBondContact O-N 3.22Å
402	S	43	Very low	68	Low	44 Å²	44	64.3 Å²	64.3	31%	0.308	36%	0.363	S	S	.	.			trans	-96.5	74.7	168.6	44.3	0	0	0	0	111	N399 T404 D405	N399-S402 PolarHBondContact O-OG 2.95Å; S402-T404 PolarHBondContact O-N 3.28Å; S402-D405 WeakPolarHBondContact CB-OD2 3.25Å; S402-D405 PolarHBondContact OG-OD2 3.42Å
403	L	39.8	Very low	68.5	Low	168 Å²	168	60.8 Å²	60.8	88%	0.88	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	15.3	173	-92.1	155.3	0	0	0	114.6	T401	T401-L403 PolarHBondContact O-N 3.22Å
404	T	51.9	Low	69.1	Low	84 Å²	84	63.4 Å²	63.4	52%	0.515	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.1	20.3	-167.9	50.4	0	0	0	0	114.9	S402 E406 N408	S402-T404 PolarHBondContact O-N 3.28Å; T404-E406 VanDerWaalsContact C-N 3.34Å; T404-E406 PolarHBondContact O-N 3.13Å; T404-N408 PolarHBondContact O-ND2 3.37Å
405	D	59.1	Low	69.7	Low	13 Å²	13	64.1 Å²	64.1	7%	0.07	36%	0.361	C	S	.	.	H	α-helix	trans	-71.1	-21.8	-175.2	-80.4	-28.8	0	0	0	114.7	S402 E407 N408 Y409 L434 Y459	S402-D405 WeakPolarHBondContact CB-OD2 3.25Å; S402-D405 PolarHBondContact OG-OD2 3.42Å; D405-E407 PolarHBondContact O-N 3.33Å; D405-N408 PolarHBondContact O-N 2.87Å; D405-N408 PolarHBondContact OD1-ND2 2.9Å; D405-Y409 HydrophobicContact CB-CE2 4.44Å; D405-Y409 WeakPolarHBondContact O-CD2 3.21Å; D405-L434 HydrophobicContact CB-CD1 4.28Å; D405-Y459 WeakPolarHBondContact OD1-CE2 3.33Å; D405-Y459 PolarHBondContact OD1-OH 3.39Å
406	E	63.6	Low	70	Confident	113 Å²	113	65.3 Å²	65.3	53%	0.528	37%	0.368	S	S	.	.	H	α-helix	trans	-63	-41.1	178.9	-67	-178.2	-177	0	0	113.1	T404 N408 V432	T404-E406 VanDerWaalsContact C-N 3.34Å; T404-E406 PolarHBondContact O-N 3.13Å; E406-N408 VanDerWaalsContact C-N 3.31Å; E406-V432 HydrophobicContact CB-CB 4.38Å; E406-V432 HydrophobicContact CG-CB 4.45Å
407	E	66.8	Low	69.5	Low	176 Å²	176	63 Å²	63	82%	0.822	36%	0.355	S	S	*	.	H	α-helix	trans	-75.9	-20.9	180	-64.8	-175.9	172.8	0	0	112.6	D405	D405-E407 PolarHBondContact O-N 3.33Å
408	N	81.9	Confident	69	Low	37 Å²	37	65.1 Å²	65.1	20%	0.198	37%	0.368	C	S	.	.	H	α-helix	trans	-78.8	-17.1	-176.4	-68.8	-34	0	0	0	113.5	T404 D405 E406 Y459 K460	T404-N408 PolarHBondContact O-ND2 3.37Å; D405-N408 PolarHBondContact O-N 2.87Å; D405-N408 PolarHBondContact OD1-ND2 2.9Å; E406-N408 VanDerWaalsContact C-N 3.31Å; N408-Y459 HydrophobicContact CB-CD2 3.73Å; N408-Y459 HydrophobicContact CB-CE2 3.42Å; N408-Y459 VanDerWaalsContact CB-CE2 3.42Å; N408-Y459 CarbonylContact O-C 3.59Å; N408-Y459 VanDerWaalsContact O-CA 3.3Å; N408-Y459 WeakPolarHBondContact O-CA 3.23Å; N408-K460 HydrophobicContact CB-CG 4.01Å; N408-K460 PolarHBondContact O-N 2.94Å
409	Y	87.1	Confident	68.6	Low	0 Å²	0	68 Å²	68	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	116	177.6	-71.8	-82.3	0	0	0	111.6	I387 D405 K430 V432 V441 S458 Y459 L464	I387-Y409 HydrophobicContact CD1-CD1 4Å; I387-Y409 HydrophobicContact CD1-CE1 3.99Å; I387-Y409 HydrophobicContact CG2-CE1 3.98Å; D405-Y409 HydrophobicContact CB-CE2 4.44Å; D405-Y409 WeakPolarHBondContact O-CD2 3.21Å; Y409-K430 PolarHBondContact O-NZ 2.74Å; Y409-V432 HydrophobicContact CD2-CG1 4.1Å; Y409-V441 HydrophobicContact CD2-CG1 4.08Å; Y409-V441 HydrophobicContact CE2-CB 4.31Å; Y409-V441 HydrophobicContact CE2-CG1 3.82Å; Y409-V441 HydrophobicContact CE2-CG2 3.89Å; Y409-S458 WeakPolarHBondContact CA-O 3.35Å; Y409-Y459 HydrophobicContact CD1-CD2 4.11Å; Y409-Y459 HydrophobicContact CD2-CD2 4.08Å; Y409-Y459 AromaticContact CE1-CD2 3.76Å; Y409-Y459 HydrophobicContact CE1-CD2 3.76Å; Y409-Y459 HydrophobicContact CE1-CG 4.35Å; Y409-Y459 AromaticContact CE2-CD2 3.7Å; Y409-Y459 HydrophobicContact CE2-CD2 3.7Å; Y409-Y459 AromaticContact CE2-CE2 3.97Å; Y409-Y459 HydrophobicContact CE2-CE2 3.97Å; Y409-Y459 HydrophobicContact CG-CD2 4.26Å; Y409-Y459 AromaticContact CZ-CD2 3.53Å; Y409-L464 HydrophobicContact CE1-CD1 4.39Å; Y409-L464 HydrophobicContact CE1-CD2 4.44Å
410	S	88.2	Confident	68.6	Low	22 Å²	22	72.4 Å²	72.4	15%	0.154	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	151	173.2	57.3	0	0	0	0	111.5	I457 S458	S410-I457 WeakPolarHBondContact O-CA 3.41Å; S410-S458 PolarHBondContact N-O 3.29Å; S410-S458 PolarHBondContact O-N 3.01Å; S410-S458 WeakPolarHBondContact OG-CB 3.31Å
411	V	90.5	Very high	68.7	Low	4 Å²	4	74.4 Å²	74.4	2%	0.024	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	122.6	177.2	-175	0	0	0	0	106.7	I413 Y428 K430 L443 L445 R456 I457	V411-I413 HydrophobicContact CG1-CD1 4.21Å; V411-I413 HydrophobicContact CG1-CG1 3.97Å; V411-Y428 PolarHBondContact O-OH 2.78Å; V411-K430 HydrophobicContact CB-CD 4.01Å; V411-K430 HydrophobicContact CG2-CD 3.71Å; V411-L443 HydrophobicContact CG2-CD1 3.77Å; V411-L443 HydrophobicContact CG2-CD2 3.67Å; V411-L443 HydrophobicContact CG2-CG 4.28Å; V411-L445 HydrophobicContact CG1-CD1 4.45Å; V411-R456 WeakPolarHBondContact CA-O 3.48Å; V411-I457 HydrophobicContact CG1-CG1 4.34Å; V411-I457 HydrophobicContact CG2-CG1 4.28Å
412	H	90.3	Very high	68.7	Low	84 Å²	84	74.4 Å²	74.4	39%	0.389	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	133	172.7	-64.4	-76.8	0	0	0	109.1	A455 R456	H412-A455 CarbonylContact O-C 3.54Å; H412-A455 VanDerWaalsContact O-CA 3.31Å; H412-A455 WeakPolarHBondContact O-CA 3.47Å; H412-R456 PolarHBondContact N-O 3.48Å; H412-R456 PolarHBondContact O-N 2.8Å
413	I	90.7	Very high	68.9	Low	10 Å²	10	78.3 Å²	78.3	5%	0.051	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	125.2	-179	-56.4	-173	0	0	0	109.1	V411 F427 Y428 L445 L447 F453 R454 A455 I471	V411-I413 HydrophobicContact CG1-CD1 4.21Å; V411-I413 HydrophobicContact CG1-CG1 3.97Å; I413-F427 HydrophobicContact CB-CE2 4.28Å; I413-F427 HydrophobicContact CB-CZ 4.12Å; I413-F427 HydrophobicContact CG2-CE2 3.8Å; I413-F427 HydrophobicContact CG2-CZ 3.95Å; I413-Y428 HydrophobicContact CB-CD1 4.33Å; I413-Y428 HydrophobicContact CB-CE1 4.39Å; I413-Y428 HydrophobicContact CD1-CD1 4.37Å; I413-Y428 HydrophobicContact CD1-CD2 3.88Å; I413-Y428 HydrophobicContact CD1-CE2 4.4Å; I413-Y428 HydrophobicContact CD1-CG 3.88Å; I413-Y428 HydrophobicContact CG1-CD2 4.4Å; I413-Y428 HydrophobicContact CG1-CE2 4.47Å; I413-Y428 HydrophobicContact CG1-CG 4.46Å; I413-L445 HydrophobicContact CD1-CD1 3.83Å; I413-L445 HydrophobicContact CD1-CD2 4.02Å; I413-L445 HydrophobicContact CD1-CG 4.45Å; I413-L447 HydrophobicContact CD1-CD1 4Å; I413-L447 HydrophobicContact CD1-CD2 4.21Å; I413-L447 HydrophobicContact CD1-CG 4.24Å; I413-L447 HydrophobicContact CG2-CD2 4.25Å; I413-F453 HydrophobicContact CG2-CB 3.63Å; I413-F453 HydrophobicContact CG2-CD1 3.98Å; I413-F453 HydrophobicContact CG2-CG 4.03Å; I413-R454 CarbonylContact C-O 3.49Å; I413-R454 WeakPolarHBondContact CA-O 3.48Å; I413-A455 HydrophobicContact CG1-CB 4.2Å; I413-I471 HydrophobicContact CD1-CD1 4.5Å
414	H	88.7	Confident	69.5	Low	119 Å²	119	73.3 Å²	73.3	55%	0.551	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118	139.4	178.8	-60.5	-72.4	0	0	0	110.6	F453 R454	H414-F453 CarbonylContact O-C 3.54Å; H414-F453 WeakPolarHBondContact O-CA 3.39Å; H414-F453 WeakPolarHBondContact O-CB 3.42Å; H414-R454 PolarHBondContact N-O 3.43Å; H414-R454 PolarHBondContact O-N 2.82Å
415	S	87.3	Confident	69.7	Low	47 Å²	47	75.4 Å²	75.4	33%	0.329	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	139.4	176.6	-166.3	0	0	0	0	111.1	T418	S415-T418 PolarHBondContact OG-OG1 3.33Å
416	L	85.3	Confident	70.2	Confident	34 Å²	34	81.3 Å²	81.3	18%	0.178	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124.3	175.5	-63.7	176.1	0	0	0	110.5	C452 R454 D470 Y586	L416-C452 HydrophobicContact CB-CB 4.17Å; L416-C452 PolarHBondContact N-O 2.77Å; L416-R454 HydrophobicContact CD1-CB 4.12Å; L416-R454 HydrophobicContact CD2-CB 4.06Å; L416-R454 HydrophobicContact CG-CB 4.16Å; L416-D470 WeakPolarHBondContact CD1-OD1 3.35Å; L416-Y586 HydrophobicContact CD1-CD2 3.98Å
417	G	67.4	Low	71.1	Confident	16 Å²	16	77.8 Å²	77.8	17%	0.165	43%	0.433	C	S	.	.	S	Bend	trans	82.3	23.8	174.6	0	0	0	0	0	115.5	Y587 G588	G417-Y587 WeakPolarHBondContact CA-O 3.5Å; G417-G588 VanDerWaalsContact O-CA 3.29Å; G417-G588 WeakPolarHBondContact O-CA 3.48Å
418	T	63.8	Low	72.2	Confident	62 Å²	62	71.3 Å²	71.3	38%	0.38	40%	0.401	S	S	.	.			trans	-140.2	130.8	168.3	55	0	0	0	0	108.5	S415 D420	S415-T418 PolarHBondContact OG-OG1 3.33Å; T418-D420 PolarHBondContact O-N 3.4Å
419	V	53.9	Low	72.6	Confident	138 Å²	138	71.9 Å²	71.9	84%	0.836	41%	0.408	S	S	*	.			trans	-85.3	13	-179.5	-165.7	0	0	0	0	111.6	D421	V419-D421 PolarHBondContact O-N 3.37Å; V419-D421 VanDerWaalsContact O-N 3.16Å
420	D	52.3	Low	72.8	Confident	121 Å²	121	76.2 Å²	76.2	65%	0.647	43%	0.427	S	S	*	.			trans	-69.5	118.6	-176.9	-68.3	-23.5	0	0	0	111.2	T418 D422	T418-D420 PolarHBondContact O-N 3.4Å; D420-D422 PolarHBondContact O-N 3.3Å
421	D	46.6	Very low	72.8	Confident	155 Å²	155	77.8 Å²	77.8	83%	0.829	44%	0.438	S	S	*	.			trans	-73.6	37	-175.5	-155.8	19.4	0	0	0	113.2	V419 S423	V419-D421 PolarHBondContact O-N 3.37Å; V419-D421 VanDerWaalsContact O-N 3.16Å; D421-S423 PolarHBondContact O-N 3.39Å
422	D	45.5	Very low	72.7	Confident	116 Å²	116	78.6 Å²	78.6	62%	0.62	44%	0.443	S	S	*	.			trans	-91.9	84.6	-179.9	-81.8	-22.3	0	0	0	110.3	D420 S424	D420-D422 PolarHBondContact O-N 3.3Å; D422-S424 PolarHBondContact O-N 2.94Å
423	S	47.3	Very low	72.5	Confident	125 Å²	125	76.6 Å²	76.6	87%	0.874	44%	0.438	S	S	*	.			trans	-64.3	41.1	160.9	65.7	0	0	0	0	112.7	D421	D421-S423 PolarHBondContact O-N 3.39Å
424	S	52.3	Low	72	Confident	64 Å²	64	80 Å²	80	45%	0.448	46%	0.456	S	S	.	.			trans	-104.3	110.5	172	61.5	0	0	0	0	109	D422 D426	D422-S424 PolarHBondContact O-N 2.94Å; S424-D426 PolarHBondContact O-N 2.92Å
425	D	55.5	Low	71.5	Confident	128 Å²	128	76.2 Å²	76.2	68%	0.684	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-62	8.2	176.1	-84.9	-40	0	0	0	114.2
426	D	69.2	Low	70.7	Confident	137 Å²	137	82.5 Å²	82.5	73%	0.733	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-95	1.8	-161.5	-127.5	5.7	0	0	0	114.7	S424	S424-D426 PolarHBondContact O-N 2.92Å
427	F	83.6	Confident	69.9	Low	39 Å²	39	89.9 Å²	89.9	17%	0.171	49%	0.494	C	S	.	.	G	3₁₀ helix	trans	-90.6	-5.6	-177.6	72.6	-90.9	0	0	0	114.5	I413 R448 K449 F453	I413-F427 HydrophobicContact CB-CE2 4.28Å; I413-F427 HydrophobicContact CB-CZ 4.12Å; I413-F427 HydrophobicContact CG2-CE2 3.8Å; I413-F427 HydrophobicContact CG2-CZ 3.95Å; F427-R448 PolarHBondContact O-N 3.41Å; F427-K449 HydrophobicContact CB-CB 4.11Å; F427-K449 HydrophobicContact CD2-CB 4.29Å; F427-F453 HydrophobicContact CD2-CE1 4.19Å; F427-F453 AromaticContact CE2-CD1 3.87Å; F427-F453 HydrophobicContact CE2-CD1 3.87Å; F427-F453 AromaticContact CE2-CE1 3.72Å; F427-F453 HydrophobicContact CE2-CE1 3.72Å; F427-F453 HydrophobicContact CZ-CD1 4.35Å; F427-F453 HydrophobicContact CZ-CE1 4.35Å
428	Y	89.7	Confident	70	Confident	39 Å²	39	94.7 Å²	94.7	15%	0.153	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	157.8	175.8	72.7	-80.5	0	0	0	111.8	V411 I413 L445 T446	V411-Y428 PolarHBondContact O-OH 2.78Å; I413-Y428 HydrophobicContact CB-CD1 4.33Å; I413-Y428 HydrophobicContact CB-CE1 4.39Å; I413-Y428 HydrophobicContact CD1-CD1 4.37Å; I413-Y428 HydrophobicContact CD1-CD2 3.88Å; I413-Y428 HydrophobicContact CD1-CE2 4.4Å; I413-Y428 HydrophobicContact CD1-CG 3.88Å; I413-Y428 HydrophobicContact CG1-CD2 4.4Å; I413-Y428 HydrophobicContact CG1-CE2 4.47Å; I413-Y428 HydrophobicContact CG1-CG 4.46Å; Y428-L445 HydrophobicContact CD2-CD1 4.02Å; Y428-T446 CarbonylContact C-O 3.56Å; Y428-T446 WeakPolarHBondContact CA-O 3.49Å
429	S	90.4	Very high	70.5	Confident	49 Å²	49	93.2 Å²	93.2	34%	0.343	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	141.8	172.9	67.2	0	0	0	0	110.3	T446	S429-T446 PolarHBondContact N-O 3.39Å; S429-T446 PolarHBondContact O-N 3.41Å
430	K	90.3	Very high	71.8	Confident	92 Å²	92	87.5 Å²	87.5	40%	0.4	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	150.7	175.6	70.9	177.2	177.1	102.8	0	112.2	Y409 V411 R444	Y409-K430 PolarHBondContact O-NZ 2.74Å; V411-K430 HydrophobicContact CB-CD 4.01Å; V411-K430 HydrophobicContact CG2-CD 3.71Å; K430-R444 CarbonylContact C-O 3.57Å; K430-R444 VanDerWaalsContact CA-O 3.23Å; K430-R444 WeakPolarHBondContact CA-O 3.3Å
431	S	89.3	Confident	73.5	Confident	55 Å²	55	81.8 Å²	81.8	39%	0.385	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	147.4	160.7	63.7	0	0	0	0	110.6	R444	S431-R444 PolarHBondContact N-O 2.82Å; S431-R444 PolarHBondContact O-N 2.79Å; S431-R444 WeakPolarHBondContact OG-CB 3.39Å
432	V	88.2	Confident	75.6	Confident	21 Å²	21	75.8 Å²	75.8	13%	0.127	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	134.6	-178.2	-164.5	0	0	0	0	107.7	E406 Y409 V441 L442 L443	E406-V432 HydrophobicContact CB-CB 4.38Å; E406-V432 HydrophobicContact CG-CB 4.45Å; Y409-V432 HydrophobicContact CD2-CG1 4.1Å; V432-V441 HydrophobicContact CG1-CG1 3.47Å; V432-V441 VanDerWaalsContact CG1-CG1 3.47Å; V432-L442 WeakPolarHBondContact CA-O 3.42Å; V432-L443 HydrophobicContact CG2-CD1 3.89Å
433	S	85.9	Confident	77.7	Confident	41 Å²	41	70.2 Å²	70.2	29%	0.287	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	161.7	170.7	70.6	0	0	0	0	111.5	V441 L442	S433-V441 CarbonylContact O-C 3.57Å; S433-L442 PolarHBondContact N-O 2.69Å; S433-L442 PolarHBondContact O-N 2.89Å
434	L	80	Confident	79.9	Confident	82 Å²	82	68.6 Å²	68.6	43%	0.429	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.1	-173.7	-126.3	139.3	0	0	0	111.6	D405 K436 V441	D405-L434 HydrophobicContact CB-CD1 4.28Å; L434-K436 HydrophobicContact CD2-CG 4.45Å; L434-V441 HydrophobicContact CD1-CG2 4.46Å; L434-V441 HydrophobicContact CG-CG2 4.17Å
435	N	78.7	Confident	81.8	Confident	39 Å²	39	65.6 Å²	65.6	21%	0.209	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	92.4	171	-175.3	-11.1	0	0	0	109.7	Q437 Q438 C439 Q440 L442	N435-Q437 VanDerWaalsContact C-N 3.31Å; N435-Q437 PolarHBondContact O-N 3.38Å; N435-Q437 PolarHBondContact OD1-N 3.14Å; N435-Q438 PolarHBondContact ND2-OE1 3.03Å; N435-Q438 PolarHBondContact O-N 3.36Å; N435-Q438 PolarHBondContact OD1-N 3.44Å; N435-C439 PolarHBondContact O-N 3.04Å; N435-Q440 HydrophobicContact CB-CB 4.27Å; N435-Q440 PolarHBondContact N-O 3.05Å; N435-Q440 PolarHBondContact O-N 3.21Å; N435-Q440 VanDerWaalsContact O-N 3.11Å; N435-L442 HydrophobicContact CB-CD1 4.39Å; N435-L442 HydrophobicContact CB-CG 4.42Å
436	K	69.7	Low	83.7	Confident	180 Å²	180	60.3 Å²	60.3	78%	0.783	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-30.7	-176.4	-65.5	-175.4	178.7	-178.6	0	113.8	L434 Q438	L434-K436 HydrophobicContact CD2-CG 4.45Å; K436-Q438 VanDerWaalsContact C-N 3.34Å
437	Q	69.3	Low	84.8	Confident	188 Å²	188	53.9 Å²	53.9	88%	0.879	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-35.5	-179.3	-69.7	-179.1	-14.7	0	0	112	N435	N435-Q437 VanDerWaalsContact C-N 3.31Å; N435-Q437 PolarHBondContact O-N 3.38Å; N435-Q437 PolarHBondContact OD1-N 3.14Å
438	Q	68.3	Low	85.2	Confident	117 Å²	117	59.3 Å²	59.3	55%	0.547	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	0.1	-176.9	-65.9	-179.1	-32.9	0	0	113.1	N435 K436 Q440	N435-Q438 PolarHBondContact ND2-OE1 3.03Å; N435-Q438 PolarHBondContact O-N 3.36Å; N435-Q438 PolarHBondContact OD1-N 3.44Å; K436-Q438 VanDerWaalsContact C-N 3.34Å; Q438-Q440 VanDerWaalsContact C-N 3.26Å; Q438-Q440 HydrophobicContact CB-CB 4.4Å; Q438-Q440 HydrophobicContact CB-CG 4.16Å; Q438-Q440 PolarHBondContact O-N 2.86Å
439	C	73.8	Confident	85.2	Confident	32 Å²	32	61.2 Å²	61.2	22%	0.216	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	45.9	-174.1	-55.5	0	0	0	0	112	P389 S398 N435	P389-C439 WeakPolarHBondContact CD-O 3.38Å; S398-C439 WeakPolarHBondContact CB-SG 3.32Å; N435-C439 PolarHBondContact O-N 3.04Å
440	Q	82.9	Confident	85.3	Confident	17 Å²	17	61.9 Å²	61.9	8%	0.079	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	150.1	-176.1	-78.1	176.3	-5.4	0	0	111.1	I387 E388 N435 Q438	I387-Q440 CarbonylContact O-C 3.54Å; I387-Q440 WeakPolarHBondContact O-CA 3.42Å; E388-Q440 HydrophobicContact CG-CG 3.96Å; E388-Q440 PolarHBondContact OE1-NE2 2.91Å; N435-Q440 HydrophobicContact CB-CB 4.27Å; N435-Q440 PolarHBondContact N-O 3.05Å; N435-Q440 PolarHBondContact O-N 3.21Å; N435-Q440 VanDerWaalsContact O-N 3.11Å; Q438-Q440 VanDerWaalsContact C-N 3.26Å; Q438-Q440 HydrophobicContact CB-CB 4.4Å; Q438-Q440 HydrophobicContact CB-CG 4.16Å; Q438-Q440 PolarHBondContact O-N 2.86Å
441	V	87.1	Confident	85.3	Confident	2 Å²	2	58.1 Å²	58.1	1%	0.012	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131	169.2	170.2	0	0	0	0	108.1	Q386 I387 P389 Y409 V432 S433 L434	Q386-V441 CarbonylContact C-O 3.57Å; I387-V441 HydrophobicContact CB-CB 4.05Å; I387-V441 HydrophobicContact CB-CG1 4.47Å; I387-V441 HydrophobicContact CD1-CG1 4.44Å; I387-V441 PolarHBondContact N-O 3.48Å; I387-V441 PolarHBondContact O-N 2.9Å; P389-V441 HydrophobicContact CG-CB 4.4Å; P389-V441 HydrophobicContact CG-CG2 3.68Å; Y409-V441 HydrophobicContact CD2-CG1 4.08Å; Y409-V441 HydrophobicContact CE2-CB 4.31Å; Y409-V441 HydrophobicContact CE2-CG1 3.82Å; Y409-V441 HydrophobicContact CE2-CG2 3.89Å; V432-V441 HydrophobicContact CG1-CG1 3.47Å; V432-V441 VanDerWaalsContact CG1-CG1 3.47Å; S433-V441 CarbonylContact O-C 3.57Å; L434-V441 HydrophobicContact CD1-CG2 4.46Å; L434-V441 HydrophobicContact CG-CG2 4.17Å
442	L	89.8	Confident	85.4	Confident	28 Å²	28	55.6 Å²	55.6	15%	0.147	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	106.6	178.6	-57.1	-179.8	0	0	0	108.6	T384 Q386 V432 S433 N435	T384-L442 HydrophobicContact CG2-CB 4.08Å; T384-L442 HydrophobicContact CG2-CD2 4.24Å; Q386-L442 HydrophobicContact CG-CD2 3.8Å; V432-L442 WeakPolarHBondContact CA-O 3.42Å; S433-L442 PolarHBondContact N-O 2.69Å; S433-L442 PolarHBondContact O-N 2.89Å; N435-L442 HydrophobicContact CB-CD1 4.39Å; N435-L442 HydrophobicContact CB-CG 4.42Å
443	L	91.3	Very high	85.6	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	109	174	-177.8	90.9	0	0	0	109	L385 I387 V411 V432 I457	L385-L443 HydrophobicContact CB-CB 4.27Å; L385-L443 HydrophobicContact CD1-CD2 4.03Å; L385-L443 PolarHBondContact N-O 2.78Å; L385-L443 PolarHBondContact O-N 2.67Å; I387-L443 HydrophobicContact CD1-CB 3.97Å; V411-L443 HydrophobicContact CG2-CD1 3.77Å; V411-L443 HydrophobicContact CG2-CD2 3.67Å; V411-L443 HydrophobicContact CG2-CG 4.28Å; V432-L443 HydrophobicContact CG2-CD1 3.89Å; L443-I457 HydrophobicContact CD2-CD1 3.45Å; L443-I457 VanDerWaalsContact CD2-CD1 3.45Å; L443-I457 HydrophobicContact CD2-CG1 4.16Å; L443-I457 HydrophobicContact CD2-CG2 4.45Å
444	R	92.8	Very high	85.9	Confident	90 Å²	90	56.9 Å²	56.9	34%	0.34	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	126.7	176.2	-65.1	172.7	-177.9	-109.6	0.6	109.7	Q382 H383 T384 K430 S431	Q382-R444 HydrophobicContact CG-CB 4.01Å; Q382-R444 HydrophobicContact CG-CG 4.46Å; H383-R444 CarbonylContact O-C 3.42Å; H383-R444 VanDerWaalsContact O-CA 3.28Å; H383-R444 WeakPolarHBondContact O-CA 3.42Å; T384-R444 HydrophobicContact CG2-CG 4.17Å; K430-R444 CarbonylContact C-O 3.57Å; K430-R444 VanDerWaalsContact CA-O 3.23Å; K430-R444 WeakPolarHBondContact CA-O 3.3Å; S431-R444 PolarHBondContact N-O 2.82Å; S431-R444 PolarHBondContact O-N 2.79Å; S431-R444 WeakPolarHBondContact OG-CB 3.39Å
445	L	93.1	Very high	86.5	Confident	1 Å²	1	53 Å²	53	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.6	-175.8	-178.6	64.8	0	0	0	110.3	H383 V411 I413 Y428 L447 I471	H383-L445 PolarHBondContact N-O 3.05Å; H383-L445 PolarHBondContact O-N 3.03Å; V411-L445 HydrophobicContact CG1-CD1 4.45Å; I413-L445 HydrophobicContact CD1-CD1 3.83Å; I413-L445 HydrophobicContact CD1-CD2 4.02Å; I413-L445 HydrophobicContact CD1-CG 4.45Å; Y428-L445 HydrophobicContact CD2-CD1 4.02Å; L445-L447 HydrophobicContact CD1-CD1 4.06Å; L445-L447 HydrophobicContact CD2-CD1 3.71Å; L445-L447 HydrophobicContact CG-CD1 3.6Å; L445-I471 HydrophobicContact CD2-CD1 3.9Å
446	T	93.8	Very high	87.2	Confident	17 Å²	17	56.2 Å²	56.2	10%	0.104	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	122.2	175.5	-55.3	0	0	0	0	109.2	G380 Q382 Y428 S429	G380-T446 WeakPolarHBondContact O-CG2 3.22Å; Q382-T446 WeakPolarHBondContact CA-OG1 3.31Å; Y428-T446 CarbonylContact C-O 3.56Å; Y428-T446 WeakPolarHBondContact CA-O 3.49Å; S429-T446 PolarHBondContact N-O 3.39Å; S429-T446 PolarHBondContact O-N 3.41Å
447	L	93.2	Very high	88.2	Confident	3 Å²	3	47.7 Å²	47.7	2%	0.016	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	136.2	174.4	-76.7	78.6	0	0	0	109.6	L377 N379 G380 I413 L445 F453 I471 V473	L377-L447 HydrophobicContact CD1-CD1 4.21Å; N379-L447 PolarHBondContact OD1-O 2.86Å; G380-L447 PolarHBondContact N-O 2.96Å; I413-L447 HydrophobicContact CD1-CD1 4Å; I413-L447 HydrophobicContact CD1-CD2 4.21Å; I413-L447 HydrophobicContact CD1-CG 4.24Å; I413-L447 HydrophobicContact CG2-CD2 4.25Å; L445-L447 HydrophobicContact CD1-CD1 4.06Å; L445-L447 HydrophobicContact CD2-CD1 3.71Å; L445-L447 HydrophobicContact CG-CD1 3.6Å; L447-F453 HydrophobicContact CD2-CD2 3.81Å; L447-F453 HydrophobicContact CD2-CE2 4.13Å; L447-F453 HydrophobicContact CD2-CG 4.09Å; L447-I471 HydrophobicContact CD1-CD1 4.38Å; L447-I471 HydrophobicContact CD2-CG2 4.33Å; L447-V473 HydrophobicContact CB-CG1 4.46Å; L447-V473 HydrophobicContact CB-CG2 3.83Å; L447-V473 HydrophobicContact CD2-CG2 3.55Å; L447-V473 HydrophobicContact CG-CG2 4.23Å
448	R	91.3	Very high	89.2	Confident	153 Å²	153	39 Å²	39	58%	0.577	18%	0.176	S	C	*	.			trans	-107	0.9	-177	-61.3	179.1	-173.5	163.8	2.8	113.8	N379 F427	N379-R448 WeakPolarHBondContact OD1-CA 3.35Å; N379-R448 PolarHBondContact OD1-O 3.11Å; F427-R448 PolarHBondContact O-N 3.41Å
449	K	90.6	Very high	90.2	Very high	79 Å²	79	33.9 Å²	33.9	34%	0.343	15%	0.152	S	C	.	.	S	Bend	trans	-117.6	133.6	178.9	-170.1	175.9	-178.6	175.3	0	109.6	F427 F453 V473	F427-K449 HydrophobicContact CB-CB 4.11Å; F427-K449 HydrophobicContact CD2-CB 4.29Å; K449-F453 HydrophobicContact CB-CZ 4.02Å; K449-F453 HydrophobicContact CD-CE1 4.46Å; K449-F453 HydrophobicContact CD-CZ 4.38Å; K449-F453 HydrophobicContact CG-CZ 4.11Å; K449-F453 WeakPolarHBondContact O-CE2 3.16Å; K449-F453 WeakPolarHBondContact O-CZ 3.35Å; K449-V473 WeakPolarHBondContact O-CB 3.38Å; K449-V473 VanDerWaalsContact O-CG1 3.32Å; K449-V473 WeakPolarHBondContact O-CG1 3.45Å
450	T	91.3	Very high	90.8	Very high	63 Å²	63	38.2 Å²	38.2	39%	0.387	17%	0.167	S	C	.	.			trans	-79.4	150	174.1	61.5	0	0	0	0	110.7	N379 V473	N379-T450 HydrophobicContact CB-CG2 4.01Å; T450-V473 WeakPolarHBondContact CA-O 3.19Å
451	G	90.9	Very high	90.9	Very high	12 Å²	12	43.8 Å²	43.8	12%	0.124	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	139.5	-168.3	-178.1	0	0	0	0	0	113.6	V473	G451-V473 PolarHBondContact N-O 2.95Å; G451-V473 PolarHBondContact O-N 3.33Å
452	C	91.8	Very high	90.7	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.014	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	137.6	173.3	-64.6	0	0	0	0	108.6	L416 I471 Y586 R615	L416-C452 HydrophobicContact CB-CB 4.17Å; L416-C452 PolarHBondContact N-O 2.77Å; C452-I471 CarbonylContact C-O 3.22Å; C452-I471 VanDerWaalsContact CA-O 3.32Å; C452-I471 WeakPolarHBondContact CA-O 3.26Å; C452-Y586 HydrophobicContact CB-CD1 4.2Å; C452-Y586 HydrophobicContact CB-CD2 4.28Å; C452-Y586 HydrophobicContact CB-CG 4.01Å; C452-R615 PolarHBondContact SG-NH2 2.72Å; C452-R615 VanDerWaalsContact SG-NH2 3.37Å
453	F	92.6	Very high	90.6	Very high	1 Å²	1	51.4 Å²	51.4	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	156.5	-176.9	-54.2	-91.9	0	0	0	110	I413 H414 F427 L447 K449 D470 I471 V473	I413-F453 HydrophobicContact CG2-CB 3.63Å; I413-F453 HydrophobicContact CG2-CD1 3.98Å; I413-F453 HydrophobicContact CG2-CG 4.03Å; H414-F453 CarbonylContact O-C 3.54Å; H414-F453 WeakPolarHBondContact O-CA 3.39Å; H414-F453 WeakPolarHBondContact O-CB 3.42Å; F427-F453 HydrophobicContact CD2-CE1 4.19Å; F427-F453 AromaticContact CE2-CD1 3.87Å; F427-F453 HydrophobicContact CE2-CD1 3.87Å; F427-F453 AromaticContact CE2-CE1 3.72Å; F427-F453 HydrophobicContact CE2-CE1 3.72Å; F427-F453 HydrophobicContact CZ-CD1 4.35Å; F427-F453 HydrophobicContact CZ-CE1 4.35Å; L447-F453 HydrophobicContact CD2-CD2 3.81Å; L447-F453 HydrophobicContact CD2-CE2 4.13Å; L447-F453 HydrophobicContact CD2-CG 4.09Å; K449-F453 HydrophobicContact CB-CZ 4.02Å; K449-F453 HydrophobicContact CD-CE1 4.46Å; K449-F453 HydrophobicContact CD-CZ 4.38Å; K449-F453 HydrophobicContact CG-CZ 4.11Å; K449-F453 WeakPolarHBondContact O-CE2 3.16Å; K449-F453 WeakPolarHBondContact O-CZ 3.35Å; F453-D470 CarbonylContact O-C 3.6Å; F453-D470 VanDerWaalsContact O-CA 3.29Å; F453-D470 WeakPolarHBondContact O-CA 3.32Å; F453-I471 HydrophobicContact CB-CB 4.38Å; F453-I471 PolarHBondContact N-O 2.85Å; F453-I471 PolarHBondContact O-N 3.46Å; F453-V473 HydrophobicContact CD2-CG2 3.8Å; F453-V473 HydrophobicContact CE2-CB 4.03Å; F453-V473 HydrophobicContact CE2-CG2 3.67Å
454	R	92.4	Very high	90.4	Very high	89 Å²	89	51.8 Å²	51.8	34%	0.336	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	124.4	165.9	-175.4	145.4	-66.2	178	0.1	109	I413 H414 L416 E468 D470	I413-R454 CarbonylContact C-O 3.49Å; I413-R454 WeakPolarHBondContact CA-O 3.48Å; H414-R454 PolarHBondContact N-O 3.43Å; H414-R454 PolarHBondContact O-N 2.82Å; L416-R454 HydrophobicContact CD1-CB 4.12Å; L416-R454 HydrophobicContact CD2-CB 4.06Å; L416-R454 HydrophobicContact CG-CB 4.16Å; R454-E468 WeakPolarHBondContact CD-OE1 3.29Å; R454-E468 HydrophobicContact CG-CG 4.25Å; R454-D470 IonicContact CZ-OD1 2.65Å; R454-D470 IonicContact CZ-OD2 2.79Å; R454-D470 IonicContact NE-OD1 2.83Å; R454-D470 PolarHBondContact NE-OD1 2.74Å; R454-D470 IonicContact NH2-OD1 2.73Å; R454-D470 PolarHBondContact NH2-OD1 3.26Å; R454-D470 IonicContact NH2-OD2 3.79Å; R454-D470 PolarHBondContact NH2-OD2 2.88Å
455	A	92.5	Very high	89.7	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	140.7	174.3	0	0	0	0	0	110.3	H412 I413 E468 F469 I471	H412-A455 CarbonylContact O-C 3.54Å; H412-A455 VanDerWaalsContact O-CA 3.31Å; H412-A455 WeakPolarHBondContact O-CA 3.47Å; I413-A455 HydrophobicContact CG1-CB 4.2Å; A455-E468 VanDerWaalsContact O-CA 3.31Å; A455-E468 WeakPolarHBondContact O-CA 3.49Å; A455-F469 HydrophobicContact CB-CD2 4.36Å; A455-F469 HydrophobicContact CB-CE1 4.27Å; A455-F469 HydrophobicContact CB-CE2 3.85Å; A455-F469 HydrophobicContact CB-CZ 3.8Å; A455-F469 PolarHBondContact N-O 2.85Å; A455-F469 PolarHBondContact O-N 3.18Å; A455-I471 HydrophobicContact CB-CD1 3.66Å; A455-I471 HydrophobicContact CB-CG1 4.17Å
456	R	92.4	Very high	89.2	Confident	107 Å²	107	51.6 Å²	51.6	40%	0.404	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	118.8	170	-176.9	178.4	-72.8	156.7	-0.4	109.3	V411 H412 G467 E468	V411-R456 WeakPolarHBondContact CA-O 3.48Å; H412-R456 PolarHBondContact N-O 3.48Å; H412-R456 PolarHBondContact O-N 2.8Å; R456-G467 CarbonylContact C-O 3.59Å; R456-G467 WeakPolarHBondContact CA-O 3.47Å; R456-E468 IonicContact CZ-OE2 2.68Å; R456-E468 VanDerWaalsContact CZ-OE2 3.31Å; R456-E468 IonicContact NE-OE2 2.93Å; R456-E468 PolarHBondContact NE-OE2 2.97Å; R456-E468 IonicContact NH2-OE1 3.49Å; R456-E468 PolarHBondContact NH2-OE1 3.17Å; R456-E468 IonicContact NH2-OE2 3.88Å; R456-E468 PolarHBondContact NH2-OE2 3.06Å
457	I	91.9	Very high	88.8	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.8	176.3	-57	176.9	0	0	0	108.9	I368 L385 I387 S410 V411 L443 L464 G467 F469	I368-I457 HydrophobicContact CD1-CD1 3.71Å; L385-I457 HydrophobicContact CD1-CD1 3.62Å; I387-I457 HydrophobicContact CD1-CG2 4.25Å; S410-I457 WeakPolarHBondContact O-CA 3.41Å; V411-I457 HydrophobicContact CG1-CG1 4.34Å; V411-I457 HydrophobicContact CG2-CG1 4.28Å; L443-I457 HydrophobicContact CD2-CD1 3.45Å; L443-I457 VanDerWaalsContact CD2-CD1 3.45Å; L443-I457 HydrophobicContact CD2-CG1 4.16Å; L443-I457 HydrophobicContact CD2-CG2 4.45Å; I457-L464 HydrophobicContact CB-CD1 4.3Å; I457-L464 HydrophobicContact CG2-CD1 3.63Å; I457-L464 HydrophobicContact CG2-CG 4.19Å; I457-L464 PolarHBondContact O-N 3.35Å; I457-G467 PolarHBondContact N-O 2.88Å; I457-F469 HydrophobicContact CD1-CE1 3.69Å; I457-F469 HydrophobicContact CD1-CZ 3.9Å; I457-F469 HydrophobicContact CG1-CE1 4.12Å; I457-F469 HydrophobicContact CG1-CZ 4.49Å
458	S	90.4	Very high	88.7	Confident	6 Å²	6	54.8 Å²	54.8	4%	0.042	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	155	-177.9	-62.1	0	0	0	0	111.4	Y409 S410 Q462	Y409-S458 WeakPolarHBondContact CA-O 3.35Å; S410-S458 PolarHBondContact N-O 3.29Å; S410-S458 PolarHBondContact O-N 3.01Å; S410-S458 WeakPolarHBondContact OG-CB 3.31Å; S458-Q462 CarbonylContact C-O 3.24Å; S458-Q462 WeakPolarHBondContact CA-O 3.33Å; S458-Q462 VanDerWaalsContact CB-O 3.27Å; S458-Q462 WeakPolarHBondContact CB-O 3.48Å
459	Y	88.7	Confident	88.6	Confident	9 Å²	9	47.8 Å²	47.8	4%	0.035	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	121.3	167	178	-94	0	0	0	108.6	V361 P363 D405 N408 Y409 D461 Q462	V361-Y459 HydrophobicContact CB-CE1 3.89Å; V361-Y459 HydrophobicContact CG1-CD1 4.09Å; V361-Y459 HydrophobicContact CG1-CE1 3.92Å; V361-Y459 HydrophobicContact CG1-CE2 4.39Å; V361-Y459 HydrophobicContact CG1-CG 4.38Å; P363-Y459 HydrophobicContact CG-CD1 3.95Å; D405-Y459 WeakPolarHBondContact OD1-CE2 3.33Å; D405-Y459 PolarHBondContact OD1-OH 3.39Å; N408-Y459 HydrophobicContact CB-CD2 3.73Å; N408-Y459 HydrophobicContact CB-CE2 3.42Å; N408-Y459 VanDerWaalsContact CB-CE2 3.42Å; N408-Y459 CarbonylContact O-C 3.59Å; N408-Y459 VanDerWaalsContact O-CA 3.3Å; N408-Y459 WeakPolarHBondContact O-CA 3.23Å; Y409-Y459 HydrophobicContact CD1-CD2 4.11Å; Y409-Y459 HydrophobicContact CD2-CD2 4.08Å; Y409-Y459 AromaticContact CE1-CD2 3.76Å; Y409-Y459 HydrophobicContact CE1-CD2 3.76Å; Y409-Y459 HydrophobicContact CE1-CG 4.35Å; Y409-Y459 AromaticContact CE2-CD2 3.7Å; Y409-Y459 HydrophobicContact CE2-CD2 3.7Å; Y409-Y459 AromaticContact CE2-CE2 3.97Å; Y409-Y459 HydrophobicContact CE2-CE2 3.97Å; Y409-Y459 HydrophobicContact CG-CD2 4.26Å; Y409-Y459 AromaticContact CZ-CD2 3.53Å; Y459-D461 VanDerWaalsContact C-N 3.29Å; Y459-D461 PolarHBondContact O-N 3.3Å; Y459-Q462 PolarHBondContact N-O 3.42Å; Y459-Q462 PolarHBondContact O-N 3.35Å; Y459-Q462 VanDerWaalsContact O-N 3.14Å
460	K	85.9	Confident	88.7	Confident	123 Å²	123	44.5 Å²	44.5	54%	0.535	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	49.6	-172.3	-60.5	-178.5	178.5	178.5	0	112.1	N408 Q462	N408-K460 HydrophobicContact CB-CG 4.01Å; N408-K460 PolarHBondContact O-N 2.94Å; K460-Q462 PolarHBondContact O-N 2.9Å
461	D	84.5	Confident	88.8	Confident	134 Å²	134	41.5 Å²	41.5	72%	0.717	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	7.1	-179	-55	-44.2	0	0	0	116.4	Y459	Y459-D461 VanDerWaalsContact C-N 3.29Å; Y459-D461 PolarHBondContact O-N 3.3Å
462	Q	84.3	Confident	89	Confident	119 Å²	119	40.9 Å²	40.9	56%	0.556	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.2	170.9	-66.7	-170.9	0.9	0	0	110.4	P363 S458 Y459 K460	P363-Q462 HydrophobicContact CB-CB 3.88Å; P363-Q462 HydrophobicContact CG-CB 3.74Å; S458-Q462 CarbonylContact C-O 3.24Å; S458-Q462 WeakPolarHBondContact CA-O 3.33Å; S458-Q462 VanDerWaalsContact CB-O 3.27Å; S458-Q462 WeakPolarHBondContact CB-O 3.48Å; Y459-Q462 PolarHBondContact N-O 3.42Å; Y459-Q462 PolarHBondContact O-N 3.35Å; Y459-Q462 VanDerWaalsContact O-N 3.14Å; K460-Q462 PolarHBondContact O-N 2.9Å
463	P	86	Confident	89.2	Confident	72 Å²	72	40.8 Å²	40.8	47%	0.468	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	140.3	-178.6	26.2	-33.8	0	0	0	111
464	L	87.5	Confident	89.3	Confident	7 Å²	7	40.9 Å²	40.9	4%	0.037	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	155.9	169.8	-56.5	-174.7	0	0	0	110	P363 T366 I368 I387 Y409 I457 N466 G467	P363-L464 HydrophobicContact CB-CD2 4.32Å; T366-L464 HydrophobicContact CG2-CD1 4.35Å; T366-L464 HydrophobicContact CG2-CD2 3.84Å; I368-L464 HydrophobicContact CG1-CD1 4.45Å; I387-L464 HydrophobicContact CD1-CD1 4.09Å; I387-L464 HydrophobicContact CG1-CD1 4.36Å; I387-L464 HydrophobicContact CG2-CD1 4.11Å; Y409-L464 HydrophobicContact CE1-CD1 4.39Å; Y409-L464 HydrophobicContact CE1-CD2 4.44Å; I457-L464 HydrophobicContact CB-CD1 4.3Å; I457-L464 HydrophobicContact CG2-CD1 3.63Å; I457-L464 HydrophobicContact CG2-CG 4.19Å; I457-L464 PolarHBondContact O-N 3.35Å; L464-N466 VanDerWaalsContact C-N 3.26Å; L464-N466 PolarHBondContact O-N 2.79Å; L464-N466 VanDerWaalsContact O-N 3.16Å; L464-G467 PolarHBondContact O-N 2.89Å
465	S	78.6	Confident	89.5	Confident	59 Å²	59	38.3 Å²	38.3	41%	0.413	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	-32.5	-175.3	60	0	0	0	0	115.3	P363 S364 T366 K367	P363-S465 PolarHBondContact O-N 3.29Å; S364-S465 WeakPolarHBondContact O-CB 3.39Å; T366-S465 PolarHBondContact O-N 3.23Å; T366-S465 PolarHBondContact O-OG 3.41Å; K367-S465 WeakPolarHBondContact CG-OG 3.47Å
466	N	82.4	Confident	89.6	Confident	29 Å²	29	43.2 Å²	43.2	16%	0.155	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	36.8	169.9	63.2	-15.9	0	0	0	110.5	K367 I368 H371 L464 E468	K367-N466 VanDerWaalsContact CA-OD1 3.27Å; K367-N466 WeakPolarHBondContact CA-OD1 3.48Å; I368-N466 WeakPolarHBondContact CD1-O 3.3Å; I368-N466 PolarHBondContact N-OD1 2.87Å; I368-N466 PolarHBondContact O-ND2 2.76Å; H371-N466 WeakPolarHBondContact CB-ND2 3.38Å; H371-N466 PolarHBondContact CE1-O 2.97Å; H371-N466 VanDerWaalsContact CG-ND2 3.33Å; H371-N466 PolarHBondContact ND1-O 2.97Å; L464-N466 VanDerWaalsContact C-N 3.26Å; L464-N466 PolarHBondContact O-N 2.79Å; L464-N466 VanDerWaalsContact O-N 3.16Å; N466-E468 VanDerWaalsContact C-N 3.32Å
467	G	86.3	Confident	89.7	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-13.2	-175.6	0	0	0	0	0	114.6	R456 I457 L464	R456-G467 CarbonylContact C-O 3.59Å; R456-G467 WeakPolarHBondContact CA-O 3.47Å; I457-G467 PolarHBondContact N-O 2.88Å; L464-G467 PolarHBondContact O-N 2.89Å
468	E	89.8	Confident	89.9	Confident	85 Å²	85	46.4 Å²	46.4	40%	0.397	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.2	-178.3	-170.2	161.3	169	0	0	111	R454 A455 R456 N466	R454-E468 WeakPolarHBondContact CD-OE1 3.29Å; R454-E468 HydrophobicContact CG-CG 4.25Å; A455-E468 VanDerWaalsContact O-CA 3.31Å; A455-E468 WeakPolarHBondContact O-CA 3.49Å; R456-E468 IonicContact CZ-OE2 2.68Å; R456-E468 VanDerWaalsContact CZ-OE2 3.31Å; R456-E468 IonicContact NE-OE2 2.93Å; R456-E468 PolarHBondContact NE-OE2 2.97Å; R456-E468 IonicContact NH2-OE1 3.49Å; R456-E468 PolarHBondContact NH2-OE1 3.17Å; R456-E468 IonicContact NH2-OE2 3.88Å; R456-E468 PolarHBondContact NH2-OE2 3.06Å; N466-E468 VanDerWaalsContact C-N 3.32Å
469	F	89.9	Confident	90.1	Very high	6 Å²	6	48 Å²	48	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	163.5	-178.3	56.1	-84.5	0	0	0	111.7	I368 H371 L375 L385 A455 I457 I471	I368-F469 HydrophobicContact CD1-CD1 4.26Å; I368-F469 HydrophobicContact CD1-CE1 3.78Å; H371-F469 AromaticContact CE1-CD1 3.8Å; L375-F469 HydrophobicContact CD1-CD2 3.91Å; L375-F469 HydrophobicContact CD1-CE2 3.42Å; L375-F469 VanDerWaalsContact CD1-CE2 3.42Å; L375-F469 HydrophobicContact CD1-CZ 4.19Å; L375-F469 HydrophobicContact CG-CD2 3.99Å; L375-F469 HydrophobicContact CG-CE2 4.03Å; L385-F469 HydrophobicContact CD1-CE1 4.47Å; L385-F469 HydrophobicContact CD1-CZ 3.77Å; A455-F469 HydrophobicContact CB-CD2 4.36Å; A455-F469 HydrophobicContact CB-CE1 4.27Å; A455-F469 HydrophobicContact CB-CE2 3.85Å; A455-F469 HydrophobicContact CB-CZ 3.8Å; A455-F469 PolarHBondContact N-O 2.85Å; A455-F469 PolarHBondContact O-N 3.18Å; I457-F469 HydrophobicContact CD1-CE1 3.69Å; I457-F469 HydrophobicContact CD1-CZ 3.9Å; I457-F469 HydrophobicContact CG1-CE1 4.12Å; I457-F469 HydrophobicContact CG1-CZ 4.49Å; F469-I471 HydrophobicContact CD2-CG1 3.98Å; F469-I471 HydrophobicContact CE2-CD1 3.83Å; F469-I471 HydrophobicContact CE2-CG1 3.69Å
470	D	92.6	Very high	90.4	Very high	10 Å²	10	50.5 Å²	50.5	5%	0.053	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	152.3	177.8	-68.8	-19.9	0	0	0	112.4	S373 T374 L375 L416 F453 R454	S373-D470 PolarHBondContact O-N 3.5Å; T374-D470 CarbonylContact C-O 3.58Å; T374-D470 VanDerWaalsContact CA-O 3.25Å; T374-D470 WeakPolarHBondContact CA-O 3.34Å; T374-D470 HydrophobicContact CG2-CB 4Å; L375-D470 PolarHBondContact N-O 3.25Å; L416-D470 WeakPolarHBondContact CD1-OD1 3.35Å; F453-D470 CarbonylContact O-C 3.6Å; F453-D470 VanDerWaalsContact O-CA 3.29Å; F453-D470 WeakPolarHBondContact O-CA 3.32Å; R454-D470 IonicContact CZ-OD1 2.65Å; R454-D470 IonicContact CZ-OD2 2.79Å; R454-D470 IonicContact NE-OD1 2.83Å; R454-D470 PolarHBondContact NE-OD1 2.74Å; R454-D470 IonicContact NH2-OD1 2.73Å; R454-D470 PolarHBondContact NH2-OD1 3.26Å; R454-D470 IonicContact NH2-OD2 3.79Å; R454-D470 PolarHBondContact NH2-OD2 2.88Å
471	I	93.9	Very high	90.7	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	123.7	176.3	-54.7	-179.2	0	0	0	108.5	L375 L377 I413 L445 L447 C452 F453 A455 F469 V473	L375-I471 CarbonylContact O-C 3.48Å; L375-I471 WeakPolarHBondContact O-CA 3.16Å; L377-I471 HydrophobicContact CB-CG2 4.34Å; L377-I471 HydrophobicContact CD1-CG2 3.61Å; L377-I471 HydrophobicContact CG-CG2 3.83Å; I413-I471 HydrophobicContact CD1-CD1 4.5Å; L445-I471 HydrophobicContact CD2-CD1 3.9Å; L447-I471 HydrophobicContact CD1-CD1 4.38Å; L447-I471 HydrophobicContact CD2-CG2 4.33Å; C452-I471 CarbonylContact C-O 3.22Å; C452-I471 VanDerWaalsContact CA-O 3.32Å; C452-I471 WeakPolarHBondContact CA-O 3.26Å; F453-I471 HydrophobicContact CB-CB 4.38Å; F453-I471 PolarHBondContact N-O 2.85Å; F453-I471 PolarHBondContact O-N 3.46Å; A455-I471 HydrophobicContact CB-CD1 3.66Å; A455-I471 HydrophobicContact CB-CG1 4.17Å; F469-I471 HydrophobicContact CD2-CG1 3.98Å; F469-I471 HydrophobicContact CE2-CD1 3.83Å; F469-I471 HydrophobicContact CE2-CG1 3.69Å; I471-V473 HydrophobicContact CG2-CG2 3.77Å
472	I	95	Very high	91.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	112.6	167.6	-51.8	172.9	0	0	0	107.5	T374 L375 V376 L377 L474 N616 A619 A620 I623	T374-I472 HydrophobicContact CG2-CD1 3.91Å; T374-I472 HydrophobicContact CG2-CG1 3.9Å; L375-I472 PolarHBondContact O-N 2.95Å; V376-I472 CarbonylContact C-O 3.49Å; V376-I472 WeakPolarHBondContact CA-O 3.34Å; V376-I472 HydrophobicContact CG2-CD1 4.43Å; L377-I472 PolarHBondContact N-O 2.67Å; I472-L474 HydrophobicContact CG2-CD2 3.75Å; I472-L474 HydrophobicContact CG2-CG 4.36Å; I472-N616 HydrophobicContact CG2-CB 4.4Å; I472-A619 HydrophobicContact CD1-CB 3.87Å; I472-A620 HydrophobicContact CD1-CB 4.34Å; I472-A620 HydrophobicContact CG2-CB 4.25Å; I472-I623 HydrophobicContact CD1-CG1 4.27Å
473	V	95.1	Very high	91.6	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	116.2	175.9	-173.3	0	0	0	0	109.3	L377 N379 L447 K449 T450 G451 F453 I471	L377-V473 WeakPolarHBondContact O-CA 3.42Å; N379-V473 HydrophobicContact CB-CG1 4.04Å; L447-V473 HydrophobicContact CB-CG1 4.46Å; L447-V473 HydrophobicContact CB-CG2 3.83Å; L447-V473 HydrophobicContact CD2-CG2 3.55Å; L447-V473 HydrophobicContact CG-CG2 4.23Å; K449-V473 WeakPolarHBondContact O-CB 3.38Å; K449-V473 VanDerWaalsContact O-CG1 3.32Å; K449-V473 WeakPolarHBondContact O-CG1 3.45Å; T450-V473 WeakPolarHBondContact CA-O 3.19Å; G451-V473 PolarHBondContact N-O 2.95Å; G451-V473 PolarHBondContact O-N 3.33Å; F453-V473 HydrophobicContact CD2-CG2 3.8Å; F453-V473 HydrophobicContact CE2-CB 4.03Å; F453-V473 HydrophobicContact CE2-CG2 3.67Å; I471-V473 HydrophobicContact CG2-CG2 3.77Å
474	L	96.3	Very high	91.9	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.016	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	147.2	-179.3	-57.5	179.9	0	0	0	111.2	V376 L377 T378 N379 I472 E478 K479 V482 N616 A620	V376-L474 HydrophobicContact CG1-CD1 3.65Å; V376-L474 HydrophobicContact CG1-CG 4.17Å; L377-L474 PolarHBondContact O-N 2.82Å; T378-L474 CarbonylContact C-O 3.58Å; T378-L474 WeakPolarHBondContact CA-O 3.15Å; N379-L474 WeakPolarHBondContact CB-O 3.44Å; N379-L474 PolarHBondContact N-O 3.22Å; I472-L474 HydrophobicContact CG2-CD2 3.75Å; I472-L474 HydrophobicContact CG2-CG 4.36Å; L474-E478 HydrophobicContact CB-CB 3.98Å; L474-E478 HydrophobicContact CD2-CB 4.16Å; L474-E478 HydrophobicContact CG-CB 4.5Å; L474-K479 HydrophobicContact CB-CB 4.36Å; L474-K479 HydrophobicContact CD1-CB 4.45Å; L474-V482 HydrophobicContact CD1-CB 4.37Å; L474-V482 HydrophobicContact CD1-CG2 3.86Å; L474-N616 HydrophobicContact CD2-CB 4.19Å; L474-A620 HydrophobicContact CD1-CB 3.85Å; L474-A620 HydrophobicContact CD2-CB 4.08Å; L474-A620 HydrophobicContact CG-CB 4.4Å
475	S	95.8	Very high	92	Very high	35 Å²	35	44.4 Å²	44.4	25%	0.245	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-66.5	162.7	159.5	63.9	0	0	0	0	111.2	N477 E478 K479	S475-N477 PolarHBondContact O-N 2.96Å; S475-E478 WeakPolarHBondContact CB-OE2 3.34Å; S475-E478 PolarHBondContact N-OE2 2.77Å; S475-E478 PolarHBondContact O-N 3.34Å; S475-E478 WeakPolarHBondContact OG-CB 3.41Å; S475-E478 VanDerWaalsContact OG-CG 3.23Å; S475-E478 WeakPolarHBondContact OG-CG 3.47Å; S475-E478 PolarHBondContact OG-N 3.1Å; S475-E478 PolarHBondContact OG-OE2 3.31Å; S475-K479 WeakPolarHBondContact O-CB 3.22Å; S475-K479 PolarHBondContact O-N 2.75Å
476	E	94.2	Very high	92.5	Very high	103 Å²	103	42.9 Å²	42.9	48%	0.481	22%	0.222	S	C	.	.	H	α-helix	trans	-60.3	-34	178.7	-162.6	64.3	-145.3	0	0	112.2	T378 K479 S480	T378-E476 VanDerWaalsContact CG2-OE2 3.28Å; T378-E476 WeakPolarHBondContact CG2-OE2 3.46Å; E476-K479 WeakPolarHBondContact OE1-CD 3.38Å; E476-K479 IonicContact OE1-NZ 3.89Å; E476-K479 PolarHBondContact OE1-NZ 3.01Å; E476-K479 IonicContact OE2-NZ 3.71Å; E476-S480 WeakPolarHBondContact O-CB 3.32Å; E476-S480 PolarHBondContact O-N 3.23Å; E476-S480 PolarHBondContact O-OG 3.23Å
477	N	94.9	Very high	92.7	Very high	135 Å²	135	45.5 Å²	45.5	72%	0.722	24%	0.242	S	C	*	.	H	α-helix	trans	-68.3	-45.6	176.2	-70.4	-13.7	0	0	0	111.8	S475 S480 C481	S475-N477 PolarHBondContact O-N 2.96Å; N477-S480 PolarHBondContact O-N 2.9Å; N477-C481 PolarHBondContact O-N 2.68Å
478	E	95.3	Very high	92.2	Very high	39 Å²	39	48.2 Å²	48.2	18%	0.182	26%	0.258	C	S	.	.	H	α-helix	trans	-64.2	-43.3	176.8	-72.6	168.4	124.1	0	0	111.3	L474 S475 S480 C481 V482 I617	L474-E478 HydrophobicContact CB-CB 3.98Å; L474-E478 HydrophobicContact CD2-CB 4.16Å; L474-E478 HydrophobicContact CG-CB 4.5Å; S475-E478 WeakPolarHBondContact CB-OE2 3.34Å; S475-E478 PolarHBondContact N-OE2 2.77Å; S475-E478 PolarHBondContact O-N 3.34Å; S475-E478 WeakPolarHBondContact OG-CB 3.41Å; S475-E478 VanDerWaalsContact OG-CG 3.23Å; S475-E478 WeakPolarHBondContact OG-CG 3.47Å; S475-E478 PolarHBondContact OG-N 3.1Å; S475-E478 PolarHBondContact OG-OE2 3.31Å; E478-S480 PolarHBondContact O-N 3.25Å; E478-C481 WeakPolarHBondContact O-CB 3.25Å; E478-C481 PolarHBondContact O-N 3.45Å; E478-C481 VanDerWaalsContact O-N 3.15Å; E478-V482 WeakPolarHBondContact O-CG2 3.41Å; E478-V482 PolarHBondContact O-N 3.36Å; E478-I617 HydrophobicContact CB-CD1 4.41Å; E478-I617 HydrophobicContact CB-CG1 4.1Å; E478-I617 HydrophobicContact CG-CD1 3.97Å; E478-I617 HydrophobicContact CG-CG1 3.89Å
479	K	94.8	Very high	90.9	Very high	40 Å²	40	49.8 Å²	49.8	17%	0.174	28%	0.276	C	S	.	.	H	α-helix	trans	-56.2	-49.4	174	174	-160.9	171	-168	0	111.2	T378 L474 S475 E476 C481 V482 E483	T378-K479 HydrophobicContact CG2-CD 3.78Å; T378-K479 WeakPolarHBondContact OG1-CD 3.11Å; L474-K479 HydrophobicContact CB-CB 4.36Å; L474-K479 HydrophobicContact CD1-CB 4.45Å; S475-K479 WeakPolarHBondContact O-CB 3.22Å; S475-K479 PolarHBondContact O-N 2.75Å; E476-K479 WeakPolarHBondContact OE1-CD 3.38Å; E476-K479 IonicContact OE1-NZ 3.89Å; E476-K479 PolarHBondContact OE1-NZ 3.01Å; E476-K479 IonicContact OE2-NZ 3.71Å; K479-C481 PolarHBondContact O-N 3.1Å; K479-V482 PolarHBondContact O-N 3.27Å; K479-V482 VanDerWaalsContact O-N 3.12Å; K479-E483 WeakPolarHBondContact CE-OE1 3.19Å; K479-E483 HydrophobicContact CG-CG 4.43Å; K479-E483 WeakPolarHBondContact O-CG 3.44Å; K479-E483 PolarHBondContact O-N 2.89Å
480	S	94.6	Very high	89.7	Confident	60 Å²	60	53.6 Å²	53.6	42%	0.42	32%	0.317	S	S	.	.	H	α-helix	trans	-58.6	-38	177.7	-61.3	0	0	0	0	111.9	E476 N477 E478 K484	E476-S480 WeakPolarHBondContact O-CB 3.32Å; E476-S480 PolarHBondContact O-N 3.23Å; E476-S480 PolarHBondContact O-OG 3.23Å; N477-S480 PolarHBondContact O-N 2.9Å; E478-S480 PolarHBondContact O-N 3.25Å; S480-K484 WeakPolarHBondContact O-CB 3.33Å; S480-K484 PolarHBondContact O-N 3.21Å
481	C	93.9	Very high	88.5	Confident	49 Å²	49	58.6 Å²	58.6	33%	0.331	34%	0.343	S	S	.	.	H	α-helix	trans	-64.4	-47.3	174.2	-171.4	0	0	0	0	112	N477 E478 K479 E483 K484 N485 I617	N477-C481 PolarHBondContact O-N 2.68Å; E478-C481 WeakPolarHBondContact O-CB 3.25Å; E478-C481 PolarHBondContact O-N 3.45Å; E478-C481 VanDerWaalsContact O-N 3.15Å; K479-C481 PolarHBondContact O-N 3.1Å; C481-E483 PolarHBondContact O-N 3.39Å; C481-K484 PolarHBondContact O-N 3.42Å; C481-N485 WeakPolarHBondContact O-CB 3.44Å; C481-N485 PolarHBondContact O-N 3.35Å; C481-N485 PolarHBondContact O-ND2 3.44Å; C481-N485 PolarHBondContact O-OD1 3.08Å; C481-I617 HydrophobicContact CB-CD1 4.48Å; C481-I617 HydrophobicContact CB-CG2 4.45Å
482	V	93.9	Very high	87.4	Confident	4 Å²	4	61.5 Å²	61.5	2%	0.024	36%	0.363	C	S	.	.	H	α-helix	trans	-62.7	-42.6	177.4	174.4	0	0	0	0	111.6	L474 E478 K479 K484 N485 V486 I617 A620 R624	L474-V482 HydrophobicContact CD1-CB 4.37Å; L474-V482 HydrophobicContact CD1-CG2 3.86Å; E478-V482 WeakPolarHBondContact O-CG2 3.41Å; E478-V482 PolarHBondContact O-N 3.36Å; K479-V482 PolarHBondContact O-N 3.27Å; K479-V482 VanDerWaalsContact O-N 3.12Å; V482-K484 PolarHBondContact O-N 2.88Å; V482-N485 WeakPolarHBondContact O-CB 3.44Å; V482-N485 PolarHBondContact O-N 3.27Å; V482-V486 HydrophobicContact CG1-CG2 4.29Å; V482-V486 VanDerWaalsContact O-CG2 3.27Å; V482-V486 WeakPolarHBondContact O-CG2 3.32Å; V482-V486 PolarHBondContact O-N 3.47Å; V482-I617 HydrophobicContact CG2-CB 4.47Å; V482-I617 HydrophobicContact CG2-CG2 3.84Å; V482-A620 HydrophobicContact CG1-CB 4.4Å; V482-A620 HydrophobicContact CG2-CB 3.94Å; V482-R624 HydrophobicContact CG1-CB 4.38Å; V482-R624 HydrophobicContact CG1-CG 3.83Å
483	E	92.8	Very high	87.1	Confident	102 Å²	102	62.6 Å²	62.6	48%	0.477	37%	0.369	S	S	.	.	H	α-helix	trans	-64	-41.2	177.4	-73.6	178.2	176.9	0	0	111.7	K479 C481 V486 S487	K479-E483 WeakPolarHBondContact CE-OE1 3.19Å; K479-E483 HydrophobicContact CG-CG 4.43Å; K479-E483 WeakPolarHBondContact O-CG 3.44Å; K479-E483 PolarHBondContact O-N 2.89Å; C481-E483 PolarHBondContact O-N 3.39Å; E483-V486 PolarHBondContact O-N 2.97Å; E483-S487 WeakPolarHBondContact O-CB 3.35Å; E483-S487 PolarHBondContact O-N 2.99Å; E483-S487 PolarHBondContact O-OG 2.9Å
484	K	91.6	Very high	86.9	Confident	149 Å²	149	69.7 Å²	69.7	65%	0.648	40%	0.396	S	S	*	.	H	α-helix	trans	-61.6	-44	173	-175.6	-179.1	178.7	-177.8	0	111.9	S480 C481 V482 S487 T488	S480-K484 WeakPolarHBondContact O-CB 3.33Å; S480-K484 PolarHBondContact O-N 3.21Å; C481-K484 PolarHBondContact O-N 3.42Å; V482-K484 PolarHBondContact O-N 2.88Å; K484-S487 WeakPolarHBondContact CA-OG 3.44Å; K484-S487 PolarHBondContact O-OG 2.88Å; K484-S487 VanDerWaalsContact O-OG 3.14Å; K484-T488 PolarHBondContact O-N 3.47Å; K484-T488 PolarHBondContact O-OG1 2.94Å
485	N	91.1	Very high	86.8	Confident	23 Å²	23	70.3 Å²	70.3	12%	0.123	40%	0.399	C	S	.	.	H	α-helix	trans	-58.1	-50.6	176.3	-75	-10.5	0	0	0	111.2	C481 V482 S487 I493 T621	C481-N485 WeakPolarHBondContact O-CB 3.44Å; C481-N485 PolarHBondContact O-N 3.35Å; C481-N485 PolarHBondContact O-ND2 3.44Å; C481-N485 PolarHBondContact O-OD1 3.08Å; V482-N485 WeakPolarHBondContact O-CB 3.44Å; V482-N485 PolarHBondContact O-N 3.27Å; N485-S487 PolarHBondContact O-N 2.73Å; N485-I493 HydrophobicContact CB-CD1 3.55Å; N485-I493 HydrophobicContact CB-CG1 3.93Å; N485-I493 WeakPolarHBondContact O-CD1 3.17Å; N485-T621 HydrophobicContact CB-CG2 3.98Å; N485-T621 PolarHBondContact ND2-OG1 2.68Å
486	V	88.3	Confident	86.7	Confident	28 Å²	28	72.5 Å²	72.5	17%	0.17	41%	0.405	C	S	.	.	H	α-helix	trans	-74.6	-27.6	-174.6	176.6	0	0	0	0	112.9	V482 E483 R624 F625	V482-V486 HydrophobicContact CG1-CG2 4.29Å; V482-V486 VanDerWaalsContact O-CG2 3.27Å; V482-V486 WeakPolarHBondContact O-CG2 3.32Å; V482-V486 PolarHBondContact O-N 3.47Å; E483-V486 PolarHBondContact O-N 2.97Å; V486-R624 HydrophobicContact CG2-CB 3.67Å; V486-F625 HydrophobicContact CB-CE1 4.18Å; V486-F625 HydrophobicContact CB-CZ 4.47Å; V486-F625 HydrophobicContact CG1-CD1 4.13Å; V486-F625 HydrophobicContact CG1-CE1 4Å; V486-F625 HydrophobicContact CG2-CD1 4.43Å; V486-F625 HydrophobicContact CG2-CE1 4.23Å; V486-F625 HydrophobicContact CG2-CE2 4.49Å; V486-F625 HydrophobicContact CG2-CZ 4.28Å
487	S	86.1	Confident	86.8	Confident	83 Å²	83	67.6 Å²	67.6	58%	0.58	38%	0.382	S	S	*	.	H	α-helix	trans	-82.2	-17.3	-179.3	57.9	0	0	0	0	114.3	E483 K484 N485 P489	E483-S487 WeakPolarHBondContact O-CB 3.35Å; E483-S487 PolarHBondContact O-N 2.99Å; E483-S487 PolarHBondContact O-OG 2.9Å; K484-S487 WeakPolarHBondContact CA-OG 3.44Å; K484-S487 PolarHBondContact O-OG 2.88Å; K484-S487 VanDerWaalsContact O-OG 3.14Å; N485-S487 PolarHBondContact O-N 2.73Å; S487-P489 WeakPolarHBondContact O-CD 3.26Å
488	T	77.1	Confident	86.7	Confident	58 Å²	58	62.8 Å²	62.8	36%	0.356	35%	0.354	S	S	.	.	S	Bend	trans	-87.1	102	-177	-54.6	0	0	0	0	110.8	K484 I491	K484-T488 PolarHBondContact O-N 3.47Å; K484-T488 PolarHBondContact O-OG1 2.94Å; T488-I491 HydrophobicContact CG2-CB 4.47Å; T488-I491 HydrophobicContact CG2-CD1 3.98Å; T488-I491 HydrophobicContact CG2-CG1 4.38Å
489	P	62.5	Low	86.5	Confident	118 Å²	118	61.8 Å²	61.8	77%	0.766	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	138.1	-177.9	30.9	-34.3	0	0	0	111.3	S487	S487-P489 WeakPolarHBondContact O-CD 3.26Å
490	G	63.7	Low	86.1	Confident	86 Å²	86	61.2 Å²	61.2	89%	0.887	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.2	-5.6	166.1	0	0	0	0	0	117
491	I	66.9	Low	84.8	Confident	116 Å²	116	62.7 Å²	62.7	60%	0.595	36%	0.357	S	S	*	.			trans	-106.8	125.9	175.8	-58	176.7	0	0	0	109.2	T488 I493	T488-I491 HydrophobicContact CG2-CB 4.47Å; T488-I491 HydrophobicContact CG2-CD1 3.98Å; T488-I491 HydrophobicContact CG2-CG1 4.38Å; I491-I493 PolarHBondContact O-N 2.84Å
492	S	72	Confident	82.8	Confident	60 Å²	60	63.4 Å²	63.4	42%	0.42	36%	0.363	S	S	.	.			trans	-74.1	119.1	169.2	-62.1	0	0	0	0	109.1
493	I	88.9	Confident	80.4	Confident	24 Å²	24	66.3 Å²	66.3	12%	0.123	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	140.2	176	-55.6	125.4	0	0	0	107.8	N485 I491 F495 Y553 I554 T621 F625	N485-I493 HydrophobicContact CB-CD1 3.55Å; N485-I493 HydrophobicContact CB-CG1 3.93Å; N485-I493 WeakPolarHBondContact O-CD1 3.17Å; I491-I493 PolarHBondContact O-N 2.84Å; I493-F495 HydrophobicContact CB-CE2 4.4Å; I493-F495 HydrophobicContact CG2-CD2 4.44Å; I493-F495 HydrophobicContact CG2-CE2 3.63Å; I493-F495 HydrophobicContact CG2-CZ 3.82Å; I493-Y553 CarbonylContact O-C 3.55Å; I493-Y553 WeakPolarHBondContact O-CA 3.2Å; I493-I554 PolarHBondContact N-O 3.42Å; I493-I554 PolarHBondContact O-N 2.95Å; I493-T621 HydrophobicContact CD1-CG2 3.9Å; I493-F625 HydrophobicContact CD1-CE2 3.76Å; I493-F625 HydrophobicContact CD1-CZ 3.89Å
494	Y	90.8	Very high	77.6	Confident	149 Å²	149	66.2 Å²	66.2	58%	0.584	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.9	148.4	178.5	72.6	-89.8	0	0	0	112.6	Y551 C552 Y553	Y494-Y551 HydrophobicContact CD2-CD1 4.2Å; Y494-C552 CarbonylContact C-O 3.57Å; Y494-C552 VanDerWaalsContact CA-O 3.23Å; Y494-C552 WeakPolarHBondContact CA-O 3.2Å; Y494-Y553 HydrophobicContact CD1-CE1 4.38Å; Y494-Y553 HydrophobicContact CG-CE1 4.22Å
495	F	93.9	Very high	75.1	Confident	15 Å²	15	67.5 Å²	67.5	7%	0.066	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	136.1	175.5	-60.6	-92.5	0	0	0	109.1	I493 Y551 C552 I554 D614 I617 M618	I493-F495 HydrophobicContact CB-CE2 4.4Å; I493-F495 HydrophobicContact CG2-CD2 4.44Å; I493-F495 HydrophobicContact CG2-CE2 3.63Å; I493-F495 HydrophobicContact CG2-CZ 3.82Å; F495-Y551 CarbonylContact O-C 3.51Å; F495-Y551 WeakPolarHBondContact O-CA 3.44Å; F495-C552 HydrophobicContact CB-CB 4.38Å; F495-C552 PolarHBondContact N-O 3.26Å; F495-C552 PolarHBondContact O-N 3.2Å; F495-I554 HydrophobicContact CD2-CD1 4.23Å; F495-I554 HydrophobicContact CE2-CD1 3.9Å; F495-I554 HydrophobicContact CE2-CG1 4.46Å; F495-D614 HydrophobicContact CD1-CB 4.16Å; F495-D614 HydrophobicContact CE1-CB 4.44Å; F495-I617 HydrophobicContact CE1-CB 4.16Å; F495-I617 HydrophobicContact CE1-CG2 3.82Å; F495-I617 HydrophobicContact CZ-CG2 4.09Å; F495-M618 HydrophobicContact CB-CG 4.38Å; F495-M618 HydrophobicContact CB-SD 3.94Å; F495-M618 HydrophobicContact CD1-CB 3.93Å; F495-M618 HydrophobicContact CD1-CG 4.43Å; F495-M618 HydrophobicContact CD2-CB 4Å; F495-M618 HydrophobicContact CD2-CG 3.67Å; F495-M618 HydrophobicContact CD2-SD 4.22Å; F495-M618 HydrophobicContact CE1-CB 4.04Å; F495-M618 HydrophobicContact CE2-CB 4.13Å; F495-M618 HydrophobicContact CE2-CG 4.04Å; F495-M618 HydrophobicContact CG-CB 3.91Å; F495-M618 HydrophobicContact CG-CG 3.9Å; F495-M618 HydrophobicContact CG-SD 4.13Å; F495-M618 HydrophobicContact CZ-CB 4.15Å
496	E	94.5	Very high	72.3	Confident	82 Å²	82	71.8 Å²	71.8	38%	0.383	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	129.5	169	179.8	172.1	148.6	0	0	109.2	Y498 K549 Y551 C612	E496-Y498 PolarHBondContact OE1-OH 3.39Å; E496-K549 VanDerWaalsContact OE1-CE 3.22Å; E496-K549 WeakPolarHBondContact OE1-CE 3.3Å; E496-K549 IonicContact OE1-NZ 3.77Å; E496-K549 PolarHBondContact OE1-NZ 3.47Å; E496-K549 WeakPolarHBondContact OE2-CE 3.1Å; E496-K549 IonicContact OE2-NZ 3.76Å; E496-K549 PolarHBondContact OE2-NZ 3.38Å; E496-Y551 HydrophobicContact CB-CE1 4.44Å; E496-C612 PolarHBondContact O-SG 3.49Å
497	A	94.6	Very high	69.6	Low	0 Å²	0	73.9 Å²	73.9	0%	0	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	168.4	-179	0	0	0	0	0	111.5	V550 S611 C612	A497-V550 HydrophobicContact CB-CG2 4.1Å; A497-V550 PolarHBondContact N-O 3.28Å; A497-V550 WeakPolarHBondContact O-CG2 3.11Å; A497-V550 PolarHBondContact O-N 2.99Å; A497-S611 CarbonylContact C-O 3.48Å; A497-S611 VanDerWaalsContact CA-O 3.23Å; A497-S611 WeakPolarHBondContact CA-O 3.32Å; A497-S611 WeakPolarHBondContact CB-O 3.24Å; A497-C612 HydrophobicContact CB-CB 4.17Å
498	Y	93.8	Very high	66.8	Low	34 Å²	34	73.4 Å²	73.4	13%	0.133	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	121.4	176.6	-64.5	-87.8	0	0	0	109.4	E496 P547 K548 K549 H593 Y595 L610 S611	E496-Y498 PolarHBondContact OE1-OH 3.39Å; Y498-P547 HydrophobicContact CD1-CG 4.44Å; Y498-K548 CarbonylContact C-O 3.53Å; Y498-K548 WeakPolarHBondContact CA-O 3.29Å; Y498-K549 HydrophobicContact CD1-CB 4.26Å; Y498-K549 HydrophobicContact CE1-CB 4.05Å; Y498-K549 HydrophobicContact CE1-CG 4.31Å; Y498-H593 AromaticContact CD1-CE1 3.44Å; Y498-H593 VanDerWaalsContact CD1-CE1 3.44Å; Y498-H593 WeakPolarHBondContact CD1-CE1 3.42Å; Y498-H593 AromaticContact CD1-NE2 3.72Å; Y498-H593 AromaticContact CD2-ND1 3.95Å; Y498-H593 AromaticContact CE1-CE1 3.59Å; Y498-H593 AromaticContact CE1-NE2 3.34Å; Y498-H593 VanDerWaalsContact CE1-NE2 3.34Å; Y498-H593 WeakPolarHBondContact CE1-NE2 3.37Å; Y498-H593 AromaticContact CE2-CD2 3.86Å; Y498-H593 AromaticContact CE2-NE2 3.96Å; Y498-H593 AromaticContact CG-CE1 3.67Å; Y498-H593 AromaticContact CG-ND1 3.88Å; Y498-H593 AromaticContact CZ-CD2 3.74Å; Y498-H593 AromaticContact CZ-CE1 3.98Å; Y498-H593 AromaticContact CZ-NE2 3.48Å; Y498-Y595 HydrophobicContact CD2-CD2 4.4Å; Y498-Y595 HydrophobicContact CE2-CD2 4.34Å; Y498-Y595 HydrophobicContact CE2-CE2 4.01Å; Y498-L610 WeakPolarHBondContact O-CA 3.15Å; Y498-S611 PolarHBondContact N-O 2.7Å; Y498-S611 PolarHBondContact O-N 2.67Å
499	L	90.9	Very high	64.5	Low	18 Å²	18	76.4 Å²	76.4	9%	0.094	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	126.2	-179.2	174	67.3	0	0	0	110.4	P547 K548 V550 L573 F574 V608 L610	L499-P547 WeakPolarHBondContact O-CA 3.33Å; L499-K548 HydrophobicContact CB-CB 4.43Å; L499-K548 PolarHBondContact N-O 3.08Å; L499-K548 PolarHBondContact O-N 2.93Å; L499-V550 HydrophobicContact CB-CB 4.5Å; L499-V550 HydrophobicContact CB-CG1 3.77Å; L499-V550 HydrophobicContact CB-CG2 3.88Å; L499-V550 HydrophobicContact CD2-CG1 4.14Å; L499-L573 HydrophobicContact CD2-CD1 3.78Å; L499-F574 HydrophobicContact CD1-CE2 4.14Å; L499-F574 HydrophobicContact CD2-CE2 3.88Å; L499-V608 HydrophobicContact CD1-CG1 3.5Å; L499-V608 VanDerWaalsContact CD1-CG1 3.5Å; L499-L610 HydrophobicContact CB-CD2 4.41Å; L499-L610 HydrophobicContact CD1-CD2 4.13Å
500	Y	86.1	Confident	63	Low	27 Å²	27	80.2 Å²	80.2	11%	0.106	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-94.7	144.9	172.4	-74.4	-101.9	0	0	0	110.5	P547 D590 E609	Y500-P547 HydrophobicContact CD1-CB 4.13Å; Y500-P547 HydrophobicContact CD2-CB 3.88Å; Y500-P547 HydrophobicContact CE1-CB 3.88Å; Y500-P547 HydrophobicContact CE1-CG 4.16Å; Y500-P547 HydrophobicContact CE2-CB 3.59Å; Y500-P547 HydrophobicContact CE2-CG 4.02Å; Y500-P547 HydrophobicContact CG-CB 4.13Å; Y500-D590 HydrophobicContact CE2-CB 4.31Å; Y500-D590 PolarHBondContact OH-OD1 3.48Å; Y500-E609 PolarHBondContact N-O 3.45Å
501	S	66.7	Low	61.2	Low	91 Å²	91	84.9 Å²	84.9	64%	0.636	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-86.8	131.9	-175	-162.9	0	0	0	0	110.4	G503	S501-G503 PolarHBondContact O-N 3.12Å
502	S	52.5	Low	59.4	Low	64 Å²	64	83.4 Å²	83.4	45%	0.448	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	5	-176	-43.5	0	0	0	0	116.5
503	G	43.5	Very low	57.2	Low	65 Å²	65	86.4 Å²	86.4	67%	0.67	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	15.4	-170.3	0	0	0	0	0	116.2	S501	S501-G503 PolarHBondContact O-N 3.12Å
504	N	34.8	Very low	54.1	Low	101 Å²	101	89.8 Å²	89.8	54%	0.54	51%	0.507	S	S	.	.			trans	-106.5	14.8	-174.1	-88.1	17.1	0	0	0	114.4	S506	N504-S506 VanDerWaalsContact C-N 3.29Å; N504-S506 PolarHBondContact O-N 2.98Å
505	Y	38.4	Very low	51.1	Low	175 Å²	175	86.2 Å²	86.2	69%	0.686	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	71	178.6	-70.2	-76.3	0	0	0	111.8	L512	Y505-L512 HydrophobicContact CE1-CD1 3.69Å
506	S	32.3	Very low	47.9	Very low	113 Å²	113	90.6 Å²	90.6	79%	0.79	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-152.6	-11.5	160.2	61.5	0	0	0	0	117.8	N504	N504-S506 VanDerWaalsContact C-N 3.29Å; N504-S506 PolarHBondContact O-N 2.98Å
507	S	31.5	Very low	44.7	Very low	72 Å²	72	92.8 Å²	92.8	50%	0.503	55%	0.55	S	S	.	.	S	Bend	trans	-161.8	33.4	-169.2	51.9	0	0	0	0	119.1	E542	S507-E542 PolarHBondContact OG-OE1 3Å; S507-E542 PolarHBondContact OG-OE2 3.29Å
508	S	27.4	Very low	41.3	Very low	74 Å²	74	100.5 Å²	100.5	52%	0.517	59%	0.59	S	S	.	*			trans	-127.4	144.6	168	68.3	0	0	0	0	113.1	W510	S508-W510 PolarHBondContact O-N 3.14Å
509	S	27.8	Very low	38	Very low	121 Å²	121	103.1 Å²	103.1	85%	0.846	62%	0.619	S	S	*	*	S	Bend	trans	-63.1	15	-174.7	40.8	0	0	0	0	115.8	Q511	S509-Q511 PolarHBondContact O-N 3.5Å
510	W	32.6	Very low	35.1	Very low	198 Å²	198	108.3 Å²	108.3	75%	0.75	65%	0.653	S	S	*	*			trans	-93	78.3	166.8	-64.3	97.1	0	0	0	108.8	S508	S508-W510 PolarHBondContact O-N 3.14Å
511	Q	26.4	Very low	32.2	Very low	184 Å²	184	116.1 Å²	116.1	86%	0.86	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-72.9	127.8	175.9	-71.4	-175.6	-19	0	0	110.6	S509	S509-Q511 PolarHBondContact O-N 3.5Å
512	L	28.6	Very low	30.2	Very low	85 Å²	85	123.8 Å²	123.8	45%	0.445	71%	0.706	S	S	.	*	P	Polyproline II helix	trans	-61.5	141.7	147.6	-74.1	157.3	0	0	0	107.5	Y505 A514 Y587	Y505-L512 HydrophobicContact CE1-CD1 3.69Å; L512-A514 PolarHBondContact O-N 3.03Å; L512-Y587 HydrophobicContact CD2-CE1 4.32Å; L512-Y587 VanDerWaalsContact CD2-OH 3.3Å; L512-Y587 WeakPolarHBondContact CD2-OH 3.45Å
513	P	24.3	Very low	28.8	Very low	122 Å²	122	132.4 Å²	132.4	79%	0.792	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-58.3	124.9	165	-13.4	26.8	0	0	0	107.8	S515	P513-S515 PolarHBondContact O-N 2.84Å
514	A	25.5	Very low	28.4	Very low	96 Å²	96	135 Å²	135	79%	0.793	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-56.8	121.1	175.6	0	0	0	0	0	109.3	L512 S516	L512-A514 PolarHBondContact O-N 3.03Å; A514-S516 PolarHBondContact O-N 3.05Å
515	S	27.6	Very low	27.9	Very low	74 Å²	74	135 Å²	135	52%	0.517	74%	0.742	S	S	.	*	P	Polyproline II helix	trans	-64.2	133.2	158.7	55.7	0	0	0	0	107.8	P513 L517 L1019	P513-S515 PolarHBondContact O-N 2.84Å; S515-L517 PolarHBondContact O-N 3.3Å; S515-L1019 PolarHBondContact OG-O 2.62Å
516	S	25.7	Very low	27.3	Very low	106 Å²	106	135.4 Å²	135.4	74%	0.741	75%	0.752	S	S	*	*			trans	-66.8	89.9	-173.8	45.1	0	0	0	0	111.6	A514	A514-S516 PolarHBondContact O-N 3.05Å
517	L	27.7	Very low	27	Very low	128 Å²	128	133.8 Å²	133.8	67%	0.67	75%	0.753	S	S	*	*			trans	-102	110.8	167.6	-73.6	170.8	0	0	0	110.7	S515 A519 L1019	S515-L517 PolarHBondContact O-N 3.3Å; L517-A519 PolarHBondContact O-N 3.15Å; L517-L1019 HydrophobicContact CD2-CB 4.12Å
518	L	23.8	Very low	27	Very low	162 Å²	162	139.6 Å²	139.6	85%	0.848	77%	0.772	S	S	*	*			trans	-67.8	114.5	164.2	-77.5	152.2	0	0	0	109.3
519	A	25.2	Very low	27.1	Very low	90 Å²	90	145.2 Å²	145.2	74%	0.744	79%	0.79	S	S	*	*			trans	-104.3	140.3	158.4	0	0	0	0	0	109.4	L517	L517-A519 PolarHBondContact O-N 3.15Å
520	P	29	Very low	27.2	Very low	126 Å²	126	147 Å²	147	82%	0.818	79%	0.791	S	S	*	*			trans	-79.7	147.5	-166.7	32.1	-34.1	0	0	0	112.5
521	Q	24.8	Very low	27.1	Very low	192 Å²	192	146.6 Å²	146.6	90%	0.897	80%	0.797	S	S	*	*			trans	-57.5	133.5	173.5	-65.8	-163.4	-10.3	0	0	112.7
522	R	24.9	Very low	27.5	Very low	251 Å²	251	146.8 Å²	146.8	95%	0.947	80%	0.798	S	S	*	*			trans	-135.3	123.4	144.6	-77.5	-171.8	-176	170.1	2.2	109.9
523	R	24.1	Very low	27.5	Very low	245 Å²	245	150.8 Å²	150.8	93%	0.925	81%	0.814	S	S	*	*			trans	-122.6	164.2	154.4	-90.8	-170.4	-171.3	176.8	3.4	105.8
524	P	33.3	Very low	27.6	Very low	119 Å²	119	151.5 Å²	151.5	77%	0.773	81%	0.811	S	S	*	*			cis	-143.4	-176.6	27.1	38	-16.8	0	0	0	116.9
525	S	24.3	Very low	27.7	Very low	102 Å²	102	152.4 Å²	152.4	71%	0.713	81%	0.812	S	S	*	*			trans	101.6	101.5	147.7	-169.4	0	0	0	0	117.1
526	M	26.3	Very low	28	Very low	184 Å²	184	154.8 Å²	154.8	91%	0.906	83%	0.826	S	S	*	*				92.9	124.4	95.6	-73.6	-69	-77.7	0	0	112.7
527	G	27.2	Very low	28.2	Very low	79 Å²	79	156 Å²	156	81%	0.814	83%	0.828	S	S	*	*			trans	154.8	90.4	172.9	0	0	0	0	0	110.6
528	E	30.3	Very low	28.6	Very low	193 Å²	193	159.4 Å²	159.4	90%	0.902	84%	0.841	S	S	*	*			trans	-60.6	140.4	158.7	-67.3	170.4	153.5	0	0	108.6
529	E	30.3	Very low	28.8	Very low	192 Å²	192	155 Å²	155	90%	0.897	84%	0.835	S	S	*	*			trans	-173.6	130.4	134.6	-101.3	165.4	-157.9	0	0	109.6
530	D	30.5	Very low	28.8	Very low	159 Å²	159	159.3 Å²	159.3	85%	0.85	84%	0.84	S	S	*	*			trans	-61.4	142.5	176.1	-63.4	-60.1	0	0	0	111.7
531	E	30.3	Very low	29.1	Very low	190 Å²	190	159.2 Å²	159.2	89%	0.888	84%	0.839	S	S	*	*			trans	-156.4	114.1	143.4	-112.2	176.9	-155.7	0	0	110.7
532	E	33.8	Very low	29.6	Very low	188 Å²	188	156.4 Å²	156.4	88%	0.879	83%	0.826	S	S	*	*			trans	-60.3	125.3	165.2	-76.1	175.2	132.8	0	0	109.8
533	H	28.8	Very low	30.4	Very low	168 Å²	168	154 Å²	154	78%	0.778	82%	0.822	S	S	*	*			trans	-154.4	122	151.1	-109.9	-55.2	0	0	0	113.4
534	D	27	Very low	31.8	Very low	137 Å²	137	146.2 Å²	146.2	73%	0.733	80%	0.802	S	S	*	*			trans	39.5	110.1	150.3	-78.2	-45.5	0	0	0	120.2	P536	D534-P536 WeakPolarHBondContact O-CD 3.35Å
535	S	27.9	Very low	33.1	Very low	115 Å²	115	148.6 Å²	148.6	80%	0.804	80%	0.8	S	S	*	*			trans	-50.3	120.2	156.4	-40.5	0	0	0	0	111.7	V537	S535-V537 PolarHBondContact O-N 3.45Å
536	P	32.8	Very low	35.4	Very low	125 Å²	125	152.5 Å²	152.5	81%	0.812	80%	0.804	S	S	*	*			trans	-82.2	119.2	162.9	24	-14.5	0	0	0	109.6	D534	D534-P536 WeakPolarHBondContact O-CD 3.35Å
537	V	30.9	Very low	38.2	Very low	132 Å²	132	144.3 Å²	144.3	80%	0.8	77%	0.765	S	S	*	*			trans	-29.9	138.6	161.4	173.8	0	0	0	0	113.4	S535 G539	S535-V537 PolarHBondContact O-N 3.45Å; V537-G539 PolarHBondContact O-N 3.31Å
538	E	35.3	Very low	41.1	Very low	198 Å²	198	146.2 Å²	146.2	93%	0.925	75%	0.751	S	S	*	*			trans	-37.7	102.4	170	-75.9	177.2	140.8	0	0	112.4
539	G	27.9	Very low	44	Very low	71 Å²	71	141.1 Å²	141.1	73%	0.732	73%	0.726	S	S	*	*			trans	-87.8	118	177.3	0	0	0	0	0	111.4	V537	V537-G539 PolarHBondContact O-N 3.31Å
540	Q	25.1	Very low	47	Very low	179 Å²	179	132 Å²	132	84%	0.836	68%	0.683	S	S	*	*			trans	9.6	135.6	154	-60.7	179.6	-3.7	0	0	118.6	E542	Q540-E542 PolarHBondContact O-N 3.4Å
541	P	34.4	Very low	50	Low	124 Å²	124	127.2 Å²	127.2	81%	0.805	65%	0.653	S	S	*	*			trans	-58.1	119	168.6	25.7	-31.8	0	0	0	108.9	K543	P541-K543 PolarHBondContact O-N 3.16Å
542	E	36.3	Very low	53.1	Low	133 Å²	133	118.2 Å²	118.2	62%	0.621	61%	0.611	S	S	*	*			trans	-45.5	116.2	169.3	-88.7	-177.1	164.9	0	0	107.9	S507 Q540 V544	S507-E542 PolarHBondContact OG-OE1 3Å; S507-E542 PolarHBondContact OG-OE2 3.29Å; Q540-E542 PolarHBondContact O-N 3.4Å; E542-V544 VanDerWaalsContact C-N 3.35Å; E542-V544 PolarHBondContact O-N 2.92Å
543	K	42.4	Very low	55.9	Low	200 Å²	200	111.2 Å²	111.2	87%	0.87	58%	0.577	S	S	*	*			trans	-63	98.3	177.9	-78.4	178.9	178.8	172	0	107.9	P541 K545	P541-K543 PolarHBondContact O-N 3.16Å; K543-K545 PolarHBondContact O-N 3.29Å
544	V	52.8	Low	59	Low	83 Å²	83	103.3 Å²	103.3	50%	0.503	54%	0.54	S	S	.	.			trans	-50.2	111.7	168.2	-179.9	0	0	0	0	107.3	E542 K546	E542-V544 VanDerWaalsContact C-N 3.35Å; E542-V544 PolarHBondContact O-N 2.92Å; V544-K546 PolarHBondContact O-N 3.05Å
545	K	59.8	Low	61.9	Low	168 Å²	168	97.5 Å²	97.5	73%	0.73	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-53.3	128.5	176	-92.1	178.9	178	168.6	0	108	K543	K543-K545 PolarHBondContact O-N 3.29Å
546	K	73.6	Confident	64.7	Low	184 Å²	184	95 Å²	95	80%	0.8	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-55.6	125.8	-178.3	-167.8	175.1	-176.9	176.6	0	109.4	V544	V544-K546 PolarHBondContact O-N 3.05Å
547	P	84	Confident	67.1	Low	12 Å²	12	95 Å²	95	8%	0.078	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-66.7	147.5	-178.1	31.4	-39.3	0	0	0	110.3	Y498 L499 Y500	Y498-P547 HydrophobicContact CD1-CG 4.44Å; L499-P547 WeakPolarHBondContact O-CA 3.33Å; Y500-P547 HydrophobicContact CD1-CB 4.13Å; Y500-P547 HydrophobicContact CD2-CB 3.88Å; Y500-P547 HydrophobicContact CE1-CB 3.88Å; Y500-P547 HydrophobicContact CE1-CG 4.16Å; Y500-P547 HydrophobicContact CE2-CB 3.59Å; Y500-P547 HydrophobicContact CE2-CG 4.02Å; Y500-P547 HydrophobicContact CG-CB 4.13Å
548	K	87.9	Confident	69.9	Low	120 Å²	120	91.8 Å²	91.8	52%	0.522	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	130.3	-175.4	-66.8	-177.2	-179.2	-179.1	0	110.1	Y498 L499 V550	Y498-K548 CarbonylContact C-O 3.53Å; Y498-K548 WeakPolarHBondContact CA-O 3.29Å; L499-K548 HydrophobicContact CB-CB 4.43Å; L499-K548 PolarHBondContact N-O 3.08Å; L499-K548 PolarHBondContact O-N 2.93Å; K548-V550 PolarHBondContact O-N 2.89Å
549	K	91.9	Very high	72.6	Confident	86 Å²	86	82.4 Å²	82.4	37%	0.374	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	126.3	174.9	-179.3	169.8	170.7	152.6	0	110	E496 Y498 Y551	E496-K549 VanDerWaalsContact OE1-CE 3.22Å; E496-K549 WeakPolarHBondContact OE1-CE 3.3Å; E496-K549 IonicContact OE1-NZ 3.77Å; E496-K549 PolarHBondContact OE1-NZ 3.47Å; E496-K549 WeakPolarHBondContact OE2-CE 3.1Å; E496-K549 IonicContact OE2-NZ 3.76Å; E496-K549 PolarHBondContact OE2-NZ 3.38Å; Y498-K549 HydrophobicContact CD1-CB 4.26Å; Y498-K549 HydrophobicContact CE1-CB 4.05Å; Y498-K549 HydrophobicContact CE1-CG 4.31Å; K549-Y551 VanDerWaalsContact CE-OH 3.27Å; K549-Y551 WeakPolarHBondContact CE-OH 3.21Å
550	V	93.7	Very high	75.6	Confident	0 Å²	0	79.2 Å²	79.2	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	168.9	-177.2	-63.4	0	0	0	0	111	A497 L499 K548 V561 K562 L573 L610	A497-V550 HydrophobicContact CB-CG2 4.1Å; A497-V550 PolarHBondContact N-O 3.28Å; A497-V550 WeakPolarHBondContact O-CG2 3.11Å; A497-V550 PolarHBondContact O-N 2.99Å; L499-V550 HydrophobicContact CB-CB 4.5Å; L499-V550 HydrophobicContact CB-CG1 3.77Å; L499-V550 HydrophobicContact CB-CG2 3.88Å; L499-V550 HydrophobicContact CD2-CG1 4.14Å; K548-V550 PolarHBondContact O-N 2.89Å; V550-V561 HydrophobicContact CB-CG1 3.82Å; V550-V561 HydrophobicContact CG1-CG1 4.21Å; V550-V561 HydrophobicContact CG2-CG1 3.74Å; V550-K562 CarbonylContact C-O 3.49Å; V550-K562 WeakPolarHBondContact CA-O 3.27Å; V550-L573 HydrophobicContact CG1-CD1 3.87Å; V550-L610 HydrophobicContact CG2-CD2 4.12Å
551	Y	94.1	Very high	78.9	Confident	59 Å²	59	70.7 Å²	70.7	23%	0.231	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	121	177.9	-63.1	-91.1	0	0	0	110	Y494 F495 E496 K549 K562 F564	Y494-Y551 HydrophobicContact CD2-CD1 4.2Å; F495-Y551 CarbonylContact O-C 3.51Å; F495-Y551 WeakPolarHBondContact O-CA 3.44Å; E496-Y551 HydrophobicContact CB-CE1 4.44Å; K549-Y551 VanDerWaalsContact CE-OH 3.27Å; K549-Y551 WeakPolarHBondContact CE-OH 3.21Å; Y551-K562 PolarHBondContact N-O 3.26Å; Y551-K562 PolarHBondContact O-N 3.14Å; Y551-F564 AromaticContact CD2-CD2 3.44Å; Y551-F564 HydrophobicContact CD2-CD2 3.44Å; Y551-F564 VanDerWaalsContact CD2-CD2 3.44Å; Y551-F564 AromaticContact CD2-CE2 3.6Å; Y551-F564 HydrophobicContact CD2-CE2 3.6Å; Y551-F564 AromaticContact CE2-CD2 3.7Å; Y551-F564 HydrophobicContact CE2-CD2 3.7Å; Y551-F564 HydrophobicContact CE2-CE2 4.12Å; Y551-F564 HydrophobicContact CG-CD2 4.28Å; Y551-F564 AromaticContact CG-CE2 3.97Å; Y551-F564 HydrophobicContact CG-CE2 3.97Å
552	C	94.4	Very high	81.6	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	111.2	-179.1	-65	0	0	0	0	109.8	Y494 F495 L559 S560 M618	Y494-C552 CarbonylContact C-O 3.57Å; Y494-C552 VanDerWaalsContact CA-O 3.23Å; Y494-C552 WeakPolarHBondContact CA-O 3.2Å; F495-C552 HydrophobicContact CB-CB 4.38Å; F495-C552 PolarHBondContact N-O 3.26Å; F495-C552 PolarHBondContact O-N 3.2Å; C552-L559 HydrophobicContact CB-CD1 4.07Å; C552-S560 CarbonylContact C-O 3.48Å; C552-S560 WeakPolarHBondContact CA-O 3.46Å; C552-M618 HydrophobicContact CB-SD 3.68Å
553	Y	93.4	Very high	84.1	Confident	42 Å²	42	63.7 Å²	63.7	17%	0.165	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	121.2	178.2	-70.6	-95.1	0	0	0	111	I493 Y494 L559 S560 K562 F564	I493-Y553 CarbonylContact O-C 3.55Å; I493-Y553 WeakPolarHBondContact O-CA 3.2Å; Y494-Y553 HydrophobicContact CD1-CE1 4.38Å; Y494-Y553 HydrophobicContact CG-CE1 4.22Å; Y553-L559 CarbonylContact O-C 3.46Å; Y553-L559 VanDerWaalsContact O-CA 3.28Å; Y553-L559 WeakPolarHBondContact O-CA 3.47Å; Y553-S560 WeakPolarHBondContact CB-OG 3.34Å; Y553-S560 PolarHBondContact N-O 3.25Å; Y553-S560 PolarHBondContact O-N 3.48Å; Y553-K562 HydrophobicContact CD2-CB 4.36Å; Y553-K562 HydrophobicContact CD2-CD 3.74Å; Y553-K562 HydrophobicContact CD2-CG 3.97Å; Y553-K562 HydrophobicContact CE2-CB 4.23Å; Y553-K562 HydrophobicContact CE2-CD 3.83Å; Y553-K562 HydrophobicContact CE2-CG 4.23Å; Y553-F564 HydrophobicContact CE2-CE2 4.43Å; Y553-F564 WeakPolarHBondContact OH-CZ 3.29Å
554	I	92.6	Very high	86.1	Confident	1 Å²	1	57 Å²	57	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	134.2	177	-58.2	175.5	0	0	0	109.8	I493 F495 L559 M618 T621 F622 F625	I493-I554 PolarHBondContact N-O 3.42Å; I493-I554 PolarHBondContact O-N 2.95Å; F495-I554 HydrophobicContact CD2-CD1 4.23Å; F495-I554 HydrophobicContact CE2-CD1 3.9Å; F495-I554 HydrophobicContact CE2-CG1 4.46Å; I554-L559 HydrophobicContact CD1-CD1 4.15Å; I554-L559 HydrophobicContact CG1-CB 4.41Å; I554-L559 HydrophobicContact CG1-CD1 3.48Å; I554-L559 VanDerWaalsContact CG1-CD1 3.48Å; I554-L559 HydrophobicContact CG1-CG 4.5Å; I554-M618 HydrophobicContact CD1-CG 3.55Å; I554-M618 VanDerWaalsContact CD1-O 3.29Å; I554-M618 WeakPolarHBondContact CD1-O 3.37Å; I554-T621 HydrophobicContact CG2-CG2 4.19Å; I554-F622 HydrophobicContact CD1-CB 4.28Å; I554-F625 HydrophobicContact CG2-CD2 3.69Å; I554-F625 HydrophobicContact CG2-CE2 3.88Å
555	S	89.6	Confident	87	Confident	16 Å²	16	60.1 Å²	60.1	11%	0.112	27%	0.269	C	S	.	.			trans	-134.4	168.2	172.8	67.1	0	0	0	0	109.2	K557 Q558 V578	S555-K557 PolarHBondContact O-N 2.96Å; S555-K557 PolarHBondContact OG-N 3.15Å; S555-Q558 PolarHBondContact N-O 3.19Å; S555-Q558 PolarHBondContact O-N 3.21Å; S555-Q558 WeakPolarHBondContact OG-CG 3.5Å; S555-Q558 PolarHBondContact OG-N 2.89Å; S555-Q558 VanDerWaalsContact OG-N 3.07Å; S555-Q558 PolarHBondContact OG-O 2.91Å; S555-V578 VanDerWaalsContact O-CG2 3.26Å; S555-V578 WeakPolarHBondContact O-CG2 3.13Å
556	P	85.8	Confident	87.7	Confident	62 Å²	62	58.1 Å²	58.1	40%	0.403	27%	0.265	S	S	.	.	S	Bend	trans	-57.2	-20.4	173.2	-24	31.5	0	0	0	114.8	F625 N629	P556-F625 HydrophobicContact CB-CD1 4.03Å; P556-F625 HydrophobicContact CB-CE1 4.37Å; P556-F625 HydrophobicContact CG-CD1 3.8Å; P556-F625 HydrophobicContact CG-CE1 3.63Å; P556-F625 HydrophobicContact CG-CZ 4.23Å; P556-N629 PolarHBondContact O-ND2 3.29Å
557	K	83.4	Confident	87.6	Confident	125 Å²	125	58.5 Å²	58.5	54%	0.543	27%	0.267	S	S	.	.	S	Bend	trans	-97.4	-37.7	-177.9	-67.3	-166.4	173	-161.8	0	113.3	S555 V578 E885	S555-K557 PolarHBondContact O-N 2.96Å; S555-K557 PolarHBondContact OG-N 3.15Å; K557-V578 PolarHBondContact O-N 2.93Å; K557-E885 IonicContact NZ-OE2 3.43Å; K557-E885 PolarHBondContact NZ-OE2 2.79Å
558	Q	88.6	Confident	87.2	Confident	65 Å²	65	64.5 Å²	64.5	30%	0.304	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	153.7	-168.3	63.3	-175.9	10.7	0	0	113.2	S555 T575 F576	S555-Q558 PolarHBondContact N-O 3.19Å; S555-Q558 PolarHBondContact O-N 3.21Å; S555-Q558 WeakPolarHBondContact OG-CG 3.5Å; S555-Q558 PolarHBondContact OG-N 2.89Å; S555-Q558 VanDerWaalsContact OG-N 3.07Å; S555-Q558 PolarHBondContact OG-O 2.91Å; Q558-T575 HydrophobicContact CB-CG2 4.07Å; Q558-T575 HydrophobicContact CG-CG2 4.45Å; Q558-F576 CarbonylContact C-O 3.56Å; Q558-F576 WeakPolarHBondContact CA-O 3.39Å; Q558-F576 WeakPolarHBondContact CB-O 3.24Å
559	L	92.3	Very high	86.7	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	126.2	161.8	162.6	68.2	0	0	0	108	C552 Y553 I554 T575 F576 F584 V600 F622	C552-L559 HydrophobicContact CB-CD1 4.07Å; Y553-L559 CarbonylContact O-C 3.46Å; Y553-L559 VanDerWaalsContact O-CA 3.28Å; Y553-L559 WeakPolarHBondContact O-CA 3.47Å; I554-L559 HydrophobicContact CD1-CD1 4.15Å; I554-L559 HydrophobicContact CG1-CB 4.41Å; I554-L559 HydrophobicContact CG1-CD1 3.48Å; I554-L559 VanDerWaalsContact CG1-CD1 3.48Å; I554-L559 HydrophobicContact CG1-CG 4.5Å; L559-T575 CarbonylContact O-C 3.56Å; L559-T575 WeakPolarHBondContact O-CA 3.41Å; L559-F576 HydrophobicContact CB-CB 4.27Å; L559-F576 HydrophobicContact CD2-CD2 4.05Å; L559-F576 HydrophobicContact CG-CD2 4.22Å; L559-F576 PolarHBondContact N-O 3.02Å; L559-F576 PolarHBondContact O-N 3.22Å; L559-F584 HydrophobicContact CD2-CE1 4.21Å; L559-F584 HydrophobicContact CD2-CZ 4.17Å; L559-V600 HydrophobicContact CD2-CG1 4.24Å; L559-V600 HydrophobicContact CD2-CG2 4.09Å; L559-F622 HydrophobicContact CB-CD2 4.1Å; L559-F622 HydrophobicContact CB-CE2 4.15Å
560	S	92.1	Very high	86.2	Confident	4 Å²	4	62.6 Å²	62.6	3%	0.028	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131.7	177.2	59.3	0	0	0	0	111.6	C552 Y553 K562 F574	C552-S560 CarbonylContact C-O 3.48Å; C552-S560 WeakPolarHBondContact CA-O 3.46Å; Y553-S560 WeakPolarHBondContact CB-OG 3.34Å; Y553-S560 PolarHBondContact N-O 3.25Å; Y553-S560 PolarHBondContact O-N 3.48Å; S560-K562 VanDerWaalsContact OG-CE 3.3Å; S560-K562 WeakPolarHBondContact OG-CE 3.43Å; S560-F574 CarbonylContact C-O 3.55Å; S560-F574 WeakPolarHBondContact CA-O 3.44Å
561	V	93	Very high	85.6	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	120.9	176.9	-174.4	0	0	0	0	107.6	V550 L573 F574 F576 L610	V550-V561 HydrophobicContact CB-CG1 3.82Å; V550-V561 HydrophobicContact CG1-CG1 4.21Å; V550-V561 HydrophobicContact CG2-CG1 3.74Å; V561-L573 PolarHBondContact O-N 2.81Å; V561-F574 HydrophobicContact CB-CB 4.11Å; V561-F574 HydrophobicContact CB-CD2 4.25Å; V561-F574 HydrophobicContact CG1-CD2 4.48Å; V561-F574 HydrophobicContact CG2-CB 4.23Å; V561-F574 PolarHBondContact N-O 3.29Å; V561-F574 PolarHBondContact O-N 2.88Å; V561-F576 HydrophobicContact CG2-CE2 4.4Å; V561-L610 HydrophobicContact CG1-CD2 4.27Å; V561-L610 HydrophobicContact CG2-CD1 4.21Å; V561-L610 HydrophobicContact CG2-CD2 4.48Å
562	K	91.5	Very high	85.2	Confident	38 Å²	38	74.2 Å²	74.2	17%	0.165	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.4	-175.4	-53.7	-172.3	-170	168.4	0	111.6	V550 Y551 Y553 S560 P570 W571 R572	V550-K562 CarbonylContact C-O 3.49Å; V550-K562 WeakPolarHBondContact CA-O 3.27Å; Y551-K562 PolarHBondContact N-O 3.26Å; Y551-K562 PolarHBondContact O-N 3.14Å; Y553-K562 HydrophobicContact CD2-CB 4.36Å; Y553-K562 HydrophobicContact CD2-CD 3.74Å; Y553-K562 HydrophobicContact CD2-CG 3.97Å; Y553-K562 HydrophobicContact CE2-CB 4.23Å; Y553-K562 HydrophobicContact CE2-CD 3.83Å; Y553-K562 HydrophobicContact CE2-CG 4.23Å; S560-K562 VanDerWaalsContact OG-CE 3.3Å; S560-K562 WeakPolarHBondContact OG-CE 3.43Å; K562-P570 HydrophobicContact CD-CB 4.1Å; K562-W571 CarbonylContact C-O 3.54Å; K562-W571 WeakPolarHBondContact CA-O 3.29Å; K562-W571 WeakPolarHBondContact CB-O 3.24Å; K562-R572 HydrophobicContact CG-CB 4.49Å
563	E	89.8	Confident	84.8	Confident	71 Å²	71	76.7 Å²	76.7	33%	0.332	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	156.4	165.9	-177.6	170.2	-155.2	0	0	108.7	P570 W571 L573	E563-P570 CarbonylContact O-C 3.56Å; E563-P570 WeakPolarHBondContact O-CA 3.38Å; E563-W571 PolarHBondContact N-O 2.78Å; E563-W571 PolarHBondContact O-N 2.77Å; E563-L573 HydrophobicContact CB-CD1 3.99Å; E563-L573 HydrophobicContact CB-CG 4.26Å
564	F	83.1	Confident	84.5	Confident	60 Å²	60	76.9 Å²	76.9	26%	0.263	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	115.3	175.3	-79.7	-96.7	0	0	0	110.7	Y551 Y553 I569 P570	Y551-F564 AromaticContact CD2-CD2 3.44Å; Y551-F564 HydrophobicContact CD2-CD2 3.44Å; Y551-F564 VanDerWaalsContact CD2-CD2 3.44Å; Y551-F564 AromaticContact CD2-CE2 3.6Å; Y551-F564 HydrophobicContact CD2-CE2 3.6Å; Y551-F564 AromaticContact CE2-CD2 3.7Å; Y551-F564 HydrophobicContact CE2-CD2 3.7Å; Y551-F564 HydrophobicContact CE2-CE2 4.12Å; Y551-F564 HydrophobicContact CG-CD2 4.28Å; Y551-F564 AromaticContact CG-CE2 3.97Å; Y551-F564 HydrophobicContact CG-CE2 3.97Å; Y553-F564 HydrophobicContact CE2-CE2 4.43Å; Y553-F564 WeakPolarHBondContact OH-CZ 3.29Å; F564-I569 WeakPolarHBondContact CA-O 3.14Å; F564-P570 HydrophobicContact CD1-CB 4.12Å; F564-P570 HydrophobicContact CE1-CB 3.67Å; F564-P570 HydrophobicContact CE1-CG 4.19Å; F564-P570 HydrophobicContact CZ-CB 3.89Å
565	Y	73.2	Confident	84.3	Confident	148 Å²	148	77.7 Å²	77.7	58%	0.58	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	131.3	169.7	-169.5	-102.2	0	0	0	109.7	K567 I568 I569	Y565-K567 PolarHBondContact O-N 2.69Å; Y565-I568 PolarHBondContact O-N 2.9Å; Y565-I569 PolarHBondContact N-O 2.74Å; Y565-I569 PolarHBondContact O-N 3.16Å
566	L	74.3	Confident	84.3	Confident	126 Å²	126	77 Å²	77	66%	0.66	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	25	-175.5	-63.6	169.7	0	0	0	114.1	I568	L566-I568 PolarHBondContact O-N 3.44Å; L566-I568 VanDerWaalsContact O-N 3.15Å
567	K	71.7	Confident	84.3	Confident	193 Å²	193	76.1 Å²	76.1	84%	0.839	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	9.1	-174.4	-55.1	-178.6	178.3	177.8	0	115.9	Y565	Y565-K567 PolarHBondContact O-N 2.69Å
568	I	74.1	Confident	84.4	Confident	138 Å²	138	70.4 Å²	70.4	71%	0.708	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.9	-40.6	-174.2	-59.1	167.4	0	0	0	111.7	Y565 L566 P570	Y565-I568 PolarHBondContact O-N 2.9Å; L566-I568 PolarHBondContact O-N 3.44Å; L566-I568 VanDerWaalsContact O-N 3.15Å; I568-P570 WeakPolarHBondContact O-CD 3.39Å
569	I	78.1	Confident	84.1	Confident	98 Å²	98	68 Å²	68	50%	0.503	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	112.3	-172.9	-57.4	175	0	0	0	109.3	F564 Y565 W571	F564-I569 WeakPolarHBondContact CA-O 3.14Å; Y565-I569 PolarHBondContact N-O 2.74Å; Y565-I569 PolarHBondContact O-N 3.16Å; I569-W571 PolarHBondContact O-N 2.83Å
570	P	81.4	Confident	83.5	Confident	68 Å²	68	68.6 Å²	68.6	44%	0.442	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	115.1	177.7	27.9	-32.2	0	0	0	110.5	K562 E563 F564 I568	K562-P570 HydrophobicContact CD-CB 4.1Å; E563-P570 CarbonylContact O-C 3.56Å; E563-P570 WeakPolarHBondContact O-CA 3.38Å; F564-P570 HydrophobicContact CD1-CB 4.12Å; F564-P570 HydrophobicContact CE1-CB 3.67Å; F564-P570 HydrophobicContact CE1-CG 4.19Å; F564-P570 HydrophobicContact CZ-CB 3.89Å; I568-P570 WeakPolarHBondContact O-CD 3.39Å
571	W	81.5	Confident	82.8	Confident	170 Å²	170	70.3 Å²	70.3	64%	0.644	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	123.6	170	-161.8	-79.3	0	0	0	110.2	K562 E563 I569	K562-W571 CarbonylContact C-O 3.54Å; K562-W571 WeakPolarHBondContact CA-O 3.29Å; K562-W571 WeakPolarHBondContact CB-O 3.24Å; E563-W571 PolarHBondContact N-O 2.78Å; E563-W571 PolarHBondContact O-N 2.77Å; I569-W571 PolarHBondContact O-N 2.83Å
572	R	85	Confident	82.4	Confident	132 Å²	132	70.7 Å²	70.7	50%	0.498	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	118.5	-179.2	-176.5	-173.3	-66.4	-163.1	11.6	109.5	K562 T575	K562-R572 HydrophobicContact CG-CB 4.49Å; R572-T575 WeakPolarHBondContact CD-OG1 3.36Å
573	L	85.3	Confident	82.2	Confident	52 Å²	52	72.3 Å²	72.3	27%	0.272	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-54.4	178.3	-60.4	178.1	0	0	0	110.6	L499 V550 V561 E563	L499-L573 HydrophobicContact CD2-CD1 3.78Å; V550-L573 HydrophobicContact CG1-CD1 3.87Å; V561-L573 PolarHBondContact O-N 2.81Å; E563-L573 HydrophobicContact CB-CD1 3.99Å; E563-L573 HydrophobicContact CB-CG 4.26Å
574	F	87.8	Confident	82.3	Confident	47 Å²	47	69.8 Å²	69.8	21%	0.206	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	153.6	-176.8	-56.7	-79.3	0	0	0	110.9	L499 S560 V561 F576 V608	L499-F574 HydrophobicContact CD1-CE2 4.14Å; L499-F574 HydrophobicContact CD2-CE2 3.88Å; S560-F574 CarbonylContact C-O 3.55Å; S560-F574 WeakPolarHBondContact CA-O 3.44Å; V561-F574 HydrophobicContact CB-CB 4.11Å; V561-F574 HydrophobicContact CB-CD2 4.25Å; V561-F574 HydrophobicContact CG1-CD2 4.48Å; V561-F574 HydrophobicContact CG2-CB 4.23Å; V561-F574 PolarHBondContact N-O 3.29Å; V561-F574 PolarHBondContact O-N 2.88Å; F574-F576 HydrophobicContact CB-CE2 3.9Å; F574-F576 HydrophobicContact CB-CZ 4.39Å; F574-V608 HydrophobicContact CB-CG2 4.29Å; F574-V608 HydrophobicContact CD1-CG2 3.61Å; F574-V608 HydrophobicContact CD2-CG1 4Å; F574-V608 HydrophobicContact CD2-CG2 3.85Å; F574-V608 HydrophobicContact CE1-CG2 3.79Å; F574-V608 HydrophobicContact CE2-CG1 4.25Å; F574-V608 HydrophobicContact CE2-CG2 4.03Å; F574-V608 HydrophobicContact CG-CG1 4.46Å; F574-V608 HydrophobicContact CG-CG2 3.63Å; F574-V608 HydrophobicContact CZ-CG2 4Å
575	T	88.6	Confident	82.7	Confident	18 Å²	18	69.7 Å²	69.7	11%	0.11	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	129.6	172	-62.5	0	0	0	0	108.7	Q558 L559 R572 Q605	Q558-T575 HydrophobicContact CB-CG2 4.07Å; Q558-T575 HydrophobicContact CG-CG2 4.45Å; L559-T575 CarbonylContact O-C 3.56Å; L559-T575 WeakPolarHBondContact O-CA 3.41Å; R572-T575 WeakPolarHBondContact CD-OG1 3.36Å; T575-Q605 PolarHBondContact O-NE2 3.33Å
576	F	88.8	Confident	83.5	Confident	1 Å²	1	63.2 Å²	63.2	0%	0.004	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	147.4	178.5	-58.3	-84.1	0	0	0	108.2	Q558 L559 V561 F574 T582 V600 D602 Q605 V608	Q558-F576 CarbonylContact C-O 3.56Å; Q558-F576 WeakPolarHBondContact CA-O 3.39Å; Q558-F576 WeakPolarHBondContact CB-O 3.24Å; L559-F576 HydrophobicContact CB-CB 4.27Å; L559-F576 HydrophobicContact CD2-CD2 4.05Å; L559-F576 HydrophobicContact CG-CD2 4.22Å; L559-F576 PolarHBondContact N-O 3.02Å; L559-F576 PolarHBondContact O-N 3.22Å; V561-F576 HydrophobicContact CG2-CE2 4.4Å; F574-F576 HydrophobicContact CB-CE2 3.9Å; F574-F576 HydrophobicContact CB-CZ 4.39Å; F576-T582 HydrophobicContact CB-CG2 3.89Å; F576-T582 HydrophobicContact CD1-CG2 4.27Å; F576-T582 HydrophobicContact CG-CG2 4.34Å; F576-V600 HydrophobicContact CB-CG1 4.34Å; F576-V600 HydrophobicContact CD1-CG1 3.55Å; F576-V600 HydrophobicContact CD2-CB 4.4Å; F576-V600 HydrophobicContact CD2-CG1 3.75Å; F576-V600 HydrophobicContact CE1-CB 4.11Å; F576-V600 HydrophobicContact CE1-CG1 3.55Å; F576-V600 HydrophobicContact CE2-CB 3.97Å; F576-V600 HydrophobicContact CE2-CG1 3.78Å; F576-V600 HydrophobicContact CG-CG1 3.61Å; F576-V600 HydrophobicContact CZ-CB 3.79Å; F576-V600 HydrophobicContact CZ-CG1 3.66Å; F576-D602 HydrophobicContact CD1-CB 3.95Å; F576-D602 WeakPolarHBondContact CD1-OD2 3.47Å; F576-D602 HydrophobicContact CE1-CB 4.43Å; F576-Q605 HydrophobicContact CE1-CG 4.21Å; F576-V608 HydrophobicContact CE2-CB 4.19Å; F576-V608 HydrophobicContact CE2-CG2 4.14Å; F576-V608 HydrophobicContact CZ-CB 3.75Å; F576-V608 HydrophobicContact CZ-CG2 3.54Å
577	R	85.9	Confident	84.1	Confident	43 Å²	43	61.1 Å²	61.1	16%	0.162	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	152	175.3	-177.9	176.8	-69.2	-139.6	-23.9	110.1	C579 T582 F622 I786 G787	R577-C579 VanDerWaalsContact C-N 3.31Å; R577-C579 HydrophobicContact CB-CB 4.49Å; R577-C579 VanDerWaalsContact CD-SG 3.58Å; R577-C579 HydrophobicContact CG-CB 3.82Å; R577-C579 PolarHBondContact O-N 3.43Å; R577-T582 WeakPolarHBondContact O-CB 3.42Å; R577-T582 PolarHBondContact O-OG1 2.75Å; R577-F622 WeakPolarHBondContact O-CZ 3.44Å; R577-I786 PolarHBondContact NH1-O 3.38Å; R577-I786 VanDerWaalsContact NH2-C 3.35Å; R577-I786 PolarHBondContact NH2-O 2.95Å; R577-G787 PolarHBondContact NH2-O 2.95Å
578	V	87.2	Confident	84.7	Confident	6 Å²	6	53 Å²	53	4%	0.036	27%	0.266	C	S	.	.	S	Bend	trans	-85.7	80.8	164.5	-175.5	0	0	0	0	108.7	S555 K557 F622 F625 L626	S555-V578 VanDerWaalsContact O-CG2 3.26Å; S555-V578 WeakPolarHBondContact O-CG2 3.13Å; K557-V578 PolarHBondContact O-N 2.93Å; V578-F622 HydrophobicContact CB-CE2 4.11Å; V578-F622 HydrophobicContact CB-CZ 4.4Å; V578-F622 HydrophobicContact CG1-CD2 4.49Å; V578-F622 HydrophobicContact CG1-CE2 4.28Å; V578-F622 HydrophobicContact CG1-CZ 4.34Å; V578-F622 HydrophobicContact CG2-CD2 3.81Å; V578-F622 HydrophobicContact CG2-CE2 3.62Å; V578-F622 HydrophobicContact CG2-CZ 4.38Å; V578-F625 HydrophobicContact CG1-CB 3.88Å; V578-L626 HydrophobicContact CG1-CB 3.88Å
579	C	82.2	Confident	85.2	Confident	14 Å²	14	49.6 Å²	49.6	10%	0.095	25%	0.254	C	S	.	.	S	Bend	trans	-141.5	166.6	176.6	66.8	0	0	0	0	110.5	R577 G581 T582	R577-C579 VanDerWaalsContact C-N 3.31Å; R577-C579 HydrophobicContact CB-CB 4.49Å; R577-C579 VanDerWaalsContact CD-SG 3.58Å; R577-C579 HydrophobicContact CG-CB 3.82Å; R577-C579 PolarHBondContact O-N 3.43Å; C579-G581 PolarHBondContact O-N 3.39Å; C579-G581 VanDerWaalsContact O-N 3.14Å; C579-T582 PolarHBondContact O-N 3.1Å; C579-T582 VanDerWaalsContact O-N 3.16Å
580	P	78.1	Confident	85.6	Confident	14 Å²	14	45.1 Å²	45.1	9%	0.091	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-23.4	-179.8	-25.7	36	0	0	0	114.6	T582 K583 L626 I630	P580-T582 VanDerWaalsContact C-N 3.32Å; P580-T582 PolarHBondContact O-N 3.06Å; P580-K583 WeakPolarHBondContact O-CD 3.25Å; P580-K583 WeakPolarHBondContact O-CE 3.41Å; P580-K583 PolarHBondContact O-NZ 3.28Å; P580-L626 HydrophobicContact CG-CD1 4.06Å; P580-I630 HydrophobicContact CG-CD1 4.43Å; P580-I630 HydrophobicContact CG-CG2 4.04Å
581	G	77.5	Confident	85.6	Confident	40 Å²	40	45.3 Å²	45.3	41%	0.412	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-16.5	178.6	0	0	0	0	0	114.6	C579	C579-G581 PolarHBondContact O-N 3.39Å; C579-G581 VanDerWaalsContact O-N 3.14Å
582	T	86.1	Confident	85.8	Confident	7 Å²	7	40.5 Å²	40.5	4%	0.043	22%	0.222	C	C	.	.	S	Bend	trans	-89.8	108.4	173.1	-63.2	0	0	0	0	109.4	F576 R577 C579 P580 F584 V600 D601 F622	F576-T582 HydrophobicContact CB-CG2 3.89Å; F576-T582 HydrophobicContact CD1-CG2 4.27Å; F576-T582 HydrophobicContact CG-CG2 4.34Å; R577-T582 WeakPolarHBondContact O-CB 3.42Å; R577-T582 PolarHBondContact O-OG1 2.75Å; C579-T582 PolarHBondContact O-N 3.1Å; C579-T582 VanDerWaalsContact O-N 3.16Å; P580-T582 VanDerWaalsContact C-N 3.32Å; P580-T582 PolarHBondContact O-N 3.06Å; T582-F584 HydrophobicContact CG2-CE1 4.23Å; T582-V600 HydrophobicContact CG2-CG1 3.64Å; T582-D601 CarbonylContact C-O 3.59Å; T582-D601 WeakPolarHBondContact CA-O 3.44Å; T582-F622 HydrophobicContact CG2-CE1 4.46Å; T582-F622 HydrophobicContact CG2-CE2 4.18Å; T582-F622 HydrophobicContact CG2-CZ 3.68Å
583	K	87.4	Confident	85.8	Confident	72 Å²	72	36.5 Å²	36.5	31%	0.313	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	147.6	-176.2	-55.3	-59.2	-170.7	-171.1	0	111	P580 D601	P580-K583 WeakPolarHBondContact O-CD 3.25Å; P580-K583 WeakPolarHBondContact O-CE 3.41Å; P580-K583 PolarHBondContact O-NZ 3.28Å; K583-D601 PolarHBondContact N-O 2.92Å; K583-D601 PolarHBondContact O-N 2.86Å
584	F	91.9	Very high	85.9	Confident	18 Å²	18	40.8 Å²	40.8	8%	0.079	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	133.9	171.8	-67.2	-12.6	0	0	0	110.4	L559 T582 Y586 L598 V599 V600 A619 F622	L559-F584 HydrophobicContact CD2-CE1 4.21Å; L559-F584 HydrophobicContact CD2-CZ 4.17Å; T582-F584 HydrophobicContact CG2-CE1 4.23Å; F584-Y586 HydrophobicContact CB-CE1 4.37Å; F584-Y586 HydrophobicContact CB-CE2 4.33Å; F584-L598 HydrophobicContact CD1-CD1 4.45Å; F584-V599 WeakPolarHBondContact CA-O 3.29Å; F584-V600 HydrophobicContact CD1-CB 4.23Å; F584-V600 HydrophobicContact CD1-CG1 3.98Å; F584-V600 HydrophobicContact CD1-CG2 3.85Å; F584-V600 HydrophobicContact CE1-CB 4.16Å; F584-V600 HydrophobicContact CE1-CG1 3.64Å; F584-V600 HydrophobicContact CE1-CG2 3.63Å; F584-A619 HydrophobicContact CD2-CB 3.96Å; F584-A619 HydrophobicContact CE2-CB 4.1Å; F584-F622 HydrophobicContact CE1-CD1 4.34Å; F584-F622 HydrophobicContact CE1-CE1 4.4Å; F584-F622 HydrophobicContact CE1-CG 4.44Å; F584-F622 HydrophobicContact CE2-CB 3.73Å; F584-F622 AromaticContact CE2-CD1 3.66Å; F584-F622 HydrophobicContact CE2-CD1 3.66Å; F584-F622 HydrophobicContact CE2-CD2 4.48Å; F584-F622 HydrophobicContact CE2-CE1 4.41Å; F584-F622 AromaticContact CE2-CG 3.72Å; F584-F622 HydrophobicContact CE2-CG 3.72Å; F584-F622 HydrophobicContact CZ-CB 3.81Å; F584-F622 AromaticContact CZ-CD1 3.54Å; F584-F622 HydrophobicContact CZ-CD1 3.54Å; F584-F622 AromaticContact CZ-CD2 3.75Å; F584-F622 HydrophobicContact CZ-CD2 3.75Å; F584-F622 HydrophobicContact CZ-CE1 4.02Å; F584-F622 HydrophobicContact CZ-CE2 4.17Å; F584-F622 AromaticContact CZ-CG 3.41Å; F584-F622 HydrophobicContact CZ-CG 3.41Å; F584-F622 VanDerWaalsContact CZ-CG 3.41Å; F584-F622 HydrophobicContact CZ-CZ 4.31Å
585	T	90.8	Very high	86	Confident	58 Å²	58	42.5 Å²	42.5	36%	0.356	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.5	169.6	-49.3	0	0	0	0	108.9	Y587 L598 V599	T585-Y587 HydrophobicContact CG2-CD2 4.35Å; T585-Y587 HydrophobicContact CG2-CE1 4.39Å; T585-Y587 HydrophobicContact CG2-CE2 3.55Å; T585-L598 CarbonylContact O-C 3.6Å; T585-L598 WeakPolarHBondContact O-CA 3.48Å; T585-V599 PolarHBondContact N-O 2.98Å; T585-V599 PolarHBondContact O-N 2.87Å
586	Y	90.1	Very high	86.1	Confident	12 Å²	12	43.9 Å²	43.9	5%	0.047	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	129.9	-173	-54.9	-83.7	0	0	0	110.9	L416 C452 F584 L598 A619	L416-Y586 HydrophobicContact CD1-CD2 3.98Å; C452-Y586 HydrophobicContact CB-CD1 4.2Å; C452-Y586 HydrophobicContact CB-CD2 4.28Å; C452-Y586 HydrophobicContact CB-CG 4.01Å; F584-Y586 HydrophobicContact CB-CE1 4.37Å; F584-Y586 HydrophobicContact CB-CE2 4.33Å; Y586-L598 HydrophobicContact CD1-CB 4.4Å; Y586-A619 HydrophobicContact CE1-CB 3.84Å
587	Y	86.8	Confident	86.2	Confident	82 Å²	82	44.1 Å²	44.1	32%	0.322	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	174.6	-177.6	-66.7	-81.5	0	0	0	111.5	G417 L512 T585 T597 V599 R615	G417-Y587 WeakPolarHBondContact CA-O 3.5Å; L512-Y587 HydrophobicContact CD2-CE1 4.32Å; L512-Y587 VanDerWaalsContact CD2-OH 3.3Å; L512-Y587 WeakPolarHBondContact CD2-OH 3.45Å; T585-Y587 HydrophobicContact CG2-CD2 4.35Å; T585-Y587 HydrophobicContact CG2-CE1 4.39Å; T585-Y587 HydrophobicContact CG2-CE2 3.55Å; Y587-T597 WeakPolarHBondContact CB-OG1 3.4Å; Y587-T597 PolarHBondContact N-O 2.83Å; Y587-V599 HydrophobicContact CD2-CB 4.48Å; Y587-V599 HydrophobicContact CD2-CG2 3.85Å; Y587-V599 HydrophobicContact CE2-CB 3.89Å; Y587-V599 HydrophobicContact CE2-CG2 3.39Å; Y587-R615 PolarHBondContact O-NH1 2.7Å
588	G	83.7	Confident	86.5	Confident	24 Å²	24	42.1 Å²	42.1	25%	0.247	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	-175.2	-178.6	0	0	0	0	0	115.2	G417 T597	G417-G588 VanDerWaalsContact O-CA 3.29Å; G417-G588 WeakPolarHBondContact O-CA 3.48Å; G588-T597 PolarHBondContact O-N 2.82Å; G588-T597 PolarHBondContact O-OG1 2.81Å
589	S	86	Confident	86.8	Confident	65 Å²	65	42.7 Å²	42.7	46%	0.455	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	134.5	170.9	-64.4	0	0	0	0	111.2	K594 Y595	S589-K594 PolarHBondContact OG-O 2.95Å; S589-Y595 CarbonylContact C-O 3.51Å; S589-Y595 VanDerWaalsContact CA-O 3.26Å; S589-Y595 WeakPolarHBondContact CA-O 3.42Å
590	D	85.4	Confident	87.3	Confident	4 Å²	4	42 Å²	42	2%	0.021	23%	0.23	C	C	.	.			trans	-65.4	151.9	177.1	83.1	86.8	0	0	0	111.4	Y500 V592 H593 K594 Y595 T597 S611	Y500-D590 HydrophobicContact CE2-CB 4.31Å; Y500-D590 PolarHBondContact OH-OD1 3.48Å; D590-V592 PolarHBondContact O-N 2.86Å; D590-V592 WeakPolarHBondContact OD1-CA 3.47Å; D590-V592 WeakPolarHBondContact OD1-CB 3.32Å; D590-V592 PolarHBondContact OD1-N 3.19Å; D590-H593 PolarHBondContact OD1-N 2.65Å; D590-H593 IonicContact OD1-ND1 2.6Å; D590-H593 WeakPolarHBondContact OD2-CB 3.28Å; D590-K594 VanDerWaalsContact O-CA 3.29Å; D590-K594 WeakPolarHBondContact O-CA 3.32Å; D590-K594 PolarHBondContact O-N 2.87Å; D590-K594 PolarHBondContact OD2-N 2.81Å; D590-Y595 PolarHBondContact N-O 3.37Å; D590-Y595 PolarHBondContact OD2-N 3.16Å; D590-T597 HydrophobicContact CB-CG2 3.64Å; D590-S611 PolarHBondContact OD2-OG 3.5Å
591	P	81.1	Confident	87.7	Confident	72 Å²	72	44 Å²	44	47%	0.468	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-22.7	-174.6	23.1	-31.9	0	0	0	114	K594	P591-K594 PolarHBondContact O-NZ 3.07Å; P591-K594 VanDerWaalsContact O-NZ 3.17Å
592	V	85.5	Confident	87.9	Confident	70 Å²	70	43.4 Å²	43.4	42%	0.424	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-57.9	-167.9	-178.2	0	0	0	0	112.4	D590	D590-V592 PolarHBondContact O-N 2.86Å; D590-V592 WeakPolarHBondContact OD1-CA 3.47Å; D590-V592 WeakPolarHBondContact OD1-CB 3.32Å; D590-V592 PolarHBondContact OD1-N 3.19Å
593	H	86.1	Confident	87.3	Confident	48 Å²	48	45.5 Å²	45.5	22%	0.222	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-10.5	-176.6	-53.6	88.2	0	0	0	112.6	Y498 D590 Y595	Y498-H593 AromaticContact CD1-CE1 3.44Å; Y498-H593 VanDerWaalsContact CD1-CE1 3.44Å; Y498-H593 WeakPolarHBondContact CD1-CE1 3.42Å; Y498-H593 AromaticContact CD1-NE2 3.72Å; Y498-H593 AromaticContact CD2-ND1 3.95Å; Y498-H593 AromaticContact CE1-CE1 3.59Å; Y498-H593 AromaticContact CE1-NE2 3.34Å; Y498-H593 VanDerWaalsContact CE1-NE2 3.34Å; Y498-H593 WeakPolarHBondContact CE1-NE2 3.37Å; Y498-H593 AromaticContact CE2-CD2 3.86Å; Y498-H593 AromaticContact CE2-NE2 3.96Å; Y498-H593 AromaticContact CG-CE1 3.67Å; Y498-H593 AromaticContact CG-ND1 3.88Å; Y498-H593 AromaticContact CZ-CD2 3.74Å; Y498-H593 AromaticContact CZ-CE1 3.98Å; Y498-H593 AromaticContact CZ-NE2 3.48Å; D590-H593 PolarHBondContact OD1-N 2.65Å; D590-H593 IonicContact OD1-ND1 2.6Å; D590-H593 WeakPolarHBondContact OD2-CB 3.28Å; H593-Y595 HydrophobicContact CB-CD1 4.5Å; H593-Y595 HydrophobicContact CB-CD2 3.66Å; H593-Y595 HydrophobicContact CB-CE2 3.81Å; H593-Y595 HydrophobicContact CB-CG 4.03Å; H593-Y595 WeakPolarHBondContact O-CD1 3.38Å; H593-Y595 PolarHBondContact O-N 3.04Å
594	K	87.3	Confident	86.4	Confident	142 Å²	142	43.4 Å²	43.4	62%	0.617	24%	0.243	S	C	*	.			trans	59.9	22.2	-176.1	-52.2	-62.9	179.7	-168.6	0	113.2	S589 D590 P591	S589-K594 PolarHBondContact OG-O 2.95Å; D590-K594 VanDerWaalsContact O-CA 3.29Å; D590-K594 WeakPolarHBondContact O-CA 3.32Å; D590-K594 PolarHBondContact O-N 2.87Å; D590-K594 PolarHBondContact OD2-N 2.81Å; P591-K594 PolarHBondContact O-NZ 3.07Å; P591-K594 VanDerWaalsContact O-NZ 3.17Å
595	Y	90.4	Very high	85.5	Confident	83 Å²	83	43.7 Å²	43.7	33%	0.325	24%	0.244	S	C	.	.			trans	-88.2	153.2	173.8	-57.6	-28.8	0	0	0	110.5	Y498 S589 D590 H593 S611 K613	Y498-Y595 HydrophobicContact CD2-CD2 4.4Å; Y498-Y595 HydrophobicContact CE2-CD2 4.34Å; Y498-Y595 HydrophobicContact CE2-CE2 4.01Å; S589-Y595 CarbonylContact C-O 3.51Å; S589-Y595 VanDerWaalsContact CA-O 3.26Å; S589-Y595 WeakPolarHBondContact CA-O 3.42Å; D590-Y595 PolarHBondContact N-O 3.37Å; D590-Y595 PolarHBondContact OD2-N 3.16Å; H593-Y595 HydrophobicContact CB-CD1 4.5Å; H593-Y595 HydrophobicContact CB-CD2 3.66Å; H593-Y595 HydrophobicContact CB-CE2 3.81Å; H593-Y595 HydrophobicContact CB-CG 4.03Å; H593-Y595 WeakPolarHBondContact O-CD1 3.38Å; H593-Y595 PolarHBondContact O-N 3.04Å; Y595-S611 WeakPolarHBondContact CB-OG 3.38Å; Y595-K613 HydrophobicContact CD1-CB 4.25Å; Y595-K613 HydrophobicContact CD1-CG 4.48Å; Y595-K613 HydrophobicContact CD2-CB 4.2Å; Y595-K613 HydrophobicContact CE1-CB 4.23Å; Y595-K613 HydrophobicContact CE1-CG 4.28Å; Y595-K613 HydrophobicContact CE2-CB 4.15Å; Y595-K613 HydrophobicContact CG-CB 4.25Å
596	L	90.2	Very high	84.8	Confident	47 Å²	47	44.7 Å²	44.7	25%	0.246	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	142.2	178.7	-63.1	170.6	0	0	0	110.9	C612 R615	L596-C612 PolarHBondContact O-N 3.01Å; L596-C612 VanDerWaalsContact O-N 3.12Å; L596-R615 HydrophobicContact CB-CB 4.2Å; L596-R615 HydrophobicContact CB-CG 4.46Å
597	T	90.6	Very high	84.6	Confident	6 Å²	6	47.1 Å²	47.1	4%	0.037	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	151.4	-177.8	48.6	0	0	0	0	111.6	Y587 G588 D590 L610 R615	Y587-T597 WeakPolarHBondContact CB-OG1 3.4Å; Y587-T597 PolarHBondContact N-O 2.83Å; G588-T597 PolarHBondContact O-N 2.82Å; G588-T597 PolarHBondContact O-OG1 2.81Å; D590-T597 HydrophobicContact CB-CG2 3.64Å; T597-L610 CarbonylContact C-O 3.55Å; T597-L610 WeakPolarHBondContact CA-O 3.31Å; T597-R615 WeakPolarHBondContact O-CD 3.47Å
598	L	93.1	Very high	84.7	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	150.9	165.9	72.5	82.1	0	0	0	110.1	F584 T585 Y586 V600 L610 R615 M618 A619	F584-L598 HydrophobicContact CD1-CD1 4.45Å; T585-L598 CarbonylContact O-C 3.6Å; T585-L598 WeakPolarHBondContact O-CA 3.48Å; Y586-L598 HydrophobicContact CD1-CB 4.4Å; L598-V600 HydrophobicContact CD1-CG2 3.31Å; L598-L610 HydrophobicContact CD1-CD1 4.49Å; L598-L610 PolarHBondContact N-O 2.83Å; L598-L610 PolarHBondContact O-N 2.83Å; L598-R615 HydrophobicContact CB-CG 4.24Å; L598-R615 HydrophobicContact CD2-CG 3.6Å; L598-R615 HydrophobicContact CG-CG 4.25Å; L598-M618 HydrophobicContact CD1-CE 4.37Å; L598-M618 HydrophobicContact CD2-CE 3.45Å; L598-M618 VanDerWaalsContact CD2-CE 3.45Å; L598-M618 HydrophobicContact CG-CE 4.11Å; L598-A619 HydrophobicContact CD2-CB 4.42Å
599	V	92.7	Very high	85.1	Confident	18 Å²	18	45.4 Å²	45.4	11%	0.109	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	132.8	168.9	173.7	0	0	0	0	108.5	F584 T585 Y587 P607 V608 E609	F584-V599 WeakPolarHBondContact CA-O 3.29Å; T585-V599 PolarHBondContact N-O 2.98Å; T585-V599 PolarHBondContact O-N 2.87Å; Y587-V599 HydrophobicContact CD2-CB 4.48Å; Y587-V599 HydrophobicContact CD2-CG2 3.85Å; Y587-V599 HydrophobicContact CE2-CB 3.89Å; Y587-V599 HydrophobicContact CE2-CG2 3.39Å; V599-P607 HydrophobicContact CG1-CB 3.55Å; V599-V608 WeakPolarHBondContact CA-O 3.4Å; V599-E609 HydrophobicContact CG2-CB 3.99Å; V599-E609 HydrophobicContact CG2-CG 4.01Å
600	V	92.5	Very high	85.5	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125	171.4	-172.1	0	0	0	0	108.9	L559 F576 T582 F584 L598 V608 L610	L559-V600 HydrophobicContact CD2-CG1 4.24Å; L559-V600 HydrophobicContact CD2-CG2 4.09Å; F576-V600 HydrophobicContact CB-CG1 4.34Å; F576-V600 HydrophobicContact CD1-CG1 3.55Å; F576-V600 HydrophobicContact CD2-CB 4.4Å; F576-V600 HydrophobicContact CD2-CG1 3.75Å; F576-V600 HydrophobicContact CE1-CB 4.11Å; F576-V600 HydrophobicContact CE1-CG1 3.55Å; F576-V600 HydrophobicContact CE2-CB 3.97Å; F576-V600 HydrophobicContact CE2-CG1 3.78Å; F576-V600 HydrophobicContact CG-CG1 3.61Å; F576-V600 HydrophobicContact CZ-CB 3.79Å; F576-V600 HydrophobicContact CZ-CG1 3.66Å; T582-V600 HydrophobicContact CG2-CG1 3.64Å; F584-V600 HydrophobicContact CD1-CB 4.23Å; F584-V600 HydrophobicContact CD1-CG1 3.98Å; F584-V600 HydrophobicContact CD1-CG2 3.85Å; F584-V600 HydrophobicContact CE1-CB 4.16Å; F584-V600 HydrophobicContact CE1-CG1 3.64Å; F584-V600 HydrophobicContact CE1-CG2 3.63Å; L598-V600 HydrophobicContact CD1-CG2 3.31Å; V600-V608 PolarHBondContact N-O 2.85Å; V600-V608 PolarHBondContact O-N 3.49Å; V600-L610 HydrophobicContact CG2-CD1 4.1Å
601	D	87.3	Confident	85.9	Confident	57 Å²	57	42.1 Å²	42.1	31%	0.305	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	134.9	178.1	-168.5	2.2	0	0	0	110.3	T582 K583 G603 P607	T582-D601 CarbonylContact C-O 3.59Å; T582-D601 WeakPolarHBondContact CA-O 3.44Å; K583-D601 PolarHBondContact N-O 2.92Å; K583-D601 PolarHBondContact O-N 2.86Å; D601-G603 PolarHBondContact OD1-N 3.49Å; D601-P607 HydrophobicContact CB-CB 4.38Å; D601-P607 HydrophobicContact CB-CG 4.47Å
602	D	81.8	Confident	86.5	Confident	26 Å²	26	38.7 Å²	38.7	14%	0.139	21%	0.213	C	C	.	.			trans	-119.3	4.7	172.4	63.3	11.1	0	0	0	113	F576 I604 Q605	F576-D602 HydrophobicContact CD1-CB 3.95Å; F576-D602 WeakPolarHBondContact CD1-OD2 3.47Å; F576-D602 HydrophobicContact CE1-CB 4.43Å; D602-I604 PolarHBondContact O-N 3.2Å; D602-I604 VanDerWaalsContact O-N 3.14Å; D602-I604 WeakPolarHBondContact OD1-CB 3.37Å; D602-I604 PolarHBondContact OD1-N 2.87Å; D602-Q605 PolarHBondContact OD1-N 3.33Å
603	G	73.8	Confident	86.7	Confident	51 Å²	51	42.5 Å²	42.5	53%	0.526	22%	0.224	S	C	.	.	S	Bend	trans	69.6	-0.3	-177.6	0	0	0	0	0	114.8	D601	D601-G603 PolarHBondContact OD1-N 3.49Å
604	I	68.2	Low	87.1	Confident	29 Å²	29	44 Å²	44	15%	0.149	23%	0.233	C	C	.	.	S	Bend	trans	-105.7	-41.8	-175.6	-58.2	166.9	0	0	0	110.8	D602 L788 R789 N791 N857	D602-I604 PolarHBondContact O-N 3.2Å; D602-I604 VanDerWaalsContact O-N 3.14Å; D602-I604 WeakPolarHBondContact OD1-CB 3.37Å; D602-I604 PolarHBondContact OD1-N 2.87Å; I604-L788 HydrophobicContact CD1-CD2 4.42Å; I604-R789 HydrophobicContact CG2-CB 4.04Å; I604-N791 HydrophobicContact CG2-CB 4.45Å; I604-N857 PolarHBondContact O-ND2 3.07Å
605	Q	73.1	Confident	87.4	Confident	23 Å²	23	37.5 Å²	37.5	11%	0.107	21%	0.205	C	C	.	.	S	Bend	trans	-116.3	163	178.1	72.4	-163.5	-1.8	0	0	111.3	T575 F576 D602	T575-Q605 PolarHBondContact O-NE2 3.33Å; F576-Q605 HydrophobicContact CE1-CG 4.21Å; D602-Q605 PolarHBondContact OD1-N 3.33Å
606	P	76.3	Confident	87.5	Confident	79 Å²	79	34.3 Å²	34.3	51%	0.513	19%	0.193	S	C	.	.			trans	-53	136.8	175.4	-26.4	35.3	0	0	0	111.1	V608	P606-V608 PolarHBondContact O-N 3.42Å
607	P	85.2	Confident	87.7	Confident	63 Å²	63	32.8 Å²	32.8	41%	0.409	19%	0.185	S	C	.	.			trans	-54.8	138.4	178.8	-25.9	33.4	0	0	0	111.7	V599 D601	V599-P607 HydrophobicContact CG1-CB 3.55Å; D601-P607 HydrophobicContact CB-CB 4.38Å; D601-P607 HydrophobicContact CB-CG 4.47Å
608	V	89.4	Confident	87.9	Confident	3 Å²	3	32.7 Å²	32.7	2%	0.018	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	112.2	-174.1	178.6	0	0	0	0	109.8	L499 F574 F576 V599 V600 P606 L610	L499-V608 HydrophobicContact CD1-CG1 3.5Å; L499-V608 VanDerWaalsContact CD1-CG1 3.5Å; F574-V608 HydrophobicContact CB-CG2 4.29Å; F574-V608 HydrophobicContact CD1-CG2 3.61Å; F574-V608 HydrophobicContact CD2-CG1 4Å; F574-V608 HydrophobicContact CD2-CG2 3.85Å; F574-V608 HydrophobicContact CE1-CG2 3.79Å; F574-V608 HydrophobicContact CE2-CG1 4.25Å; F574-V608 HydrophobicContact CE2-CG2 4.03Å; F574-V608 HydrophobicContact CG-CG1 4.46Å; F574-V608 HydrophobicContact CG-CG2 3.63Å; F574-V608 HydrophobicContact CZ-CG2 4Å; F576-V608 HydrophobicContact CE2-CB 4.19Å; F576-V608 HydrophobicContact CE2-CG2 4.14Å; F576-V608 HydrophobicContact CZ-CB 3.75Å; F576-V608 HydrophobicContact CZ-CG2 3.54Å; V599-V608 WeakPolarHBondContact CA-O 3.4Å; V600-V608 PolarHBondContact N-O 2.85Å; V600-V608 PolarHBondContact O-N 3.49Å; P606-V608 PolarHBondContact O-N 3.42Å; V608-L610 HydrophobicContact CG1-CD2 4.06Å; V608-L610 HydrophobicContact CG1-CG 4.09Å
609	E	92.2	Very high	88	Confident	67 Å²	67	32.7 Å²	32.7	31%	0.313	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	125.5	177.6	-172	-178	-177.9	0	0	111.6	Y500 V599	Y500-E609 PolarHBondContact N-O 3.45Å; V599-E609 HydrophobicContact CG2-CB 3.99Å; V599-E609 HydrophobicContact CG2-CG 4.01Å
610	L	93.6	Very high	88.1	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	124.3	-176.2	-62.2	171.2	0	0	0	110.7	Y498 L499 V550 V561 T597 L598 V600 V608 M618	Y498-L610 WeakPolarHBondContact O-CA 3.15Å; L499-L610 HydrophobicContact CB-CD2 4.41Å; L499-L610 HydrophobicContact CD1-CD2 4.13Å; V550-L610 HydrophobicContact CG2-CD2 4.12Å; V561-L610 HydrophobicContact CG1-CD2 4.27Å; V561-L610 HydrophobicContact CG2-CD1 4.21Å; V561-L610 HydrophobicContact CG2-CD2 4.48Å; T597-L610 CarbonylContact C-O 3.55Å; T597-L610 WeakPolarHBondContact CA-O 3.31Å; L598-L610 HydrophobicContact CD1-CD1 4.49Å; L598-L610 PolarHBondContact N-O 2.83Å; L598-L610 PolarHBondContact O-N 2.83Å; V600-L610 HydrophobicContact CG2-CD1 4.1Å; V608-L610 HydrophobicContact CG1-CD2 4.06Å; V608-L610 HydrophobicContact CG1-CG 4.09Å; L610-M618 HydrophobicContact CD1-CE 4.47Å
611	S	93.9	Very high	88.2	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	126.5	165.2	165	0	0	0	0	109.7	A497 Y498 D590 Y595	A497-S611 CarbonylContact C-O 3.48Å; A497-S611 VanDerWaalsContact CA-O 3.23Å; A497-S611 WeakPolarHBondContact CA-O 3.32Å; A497-S611 WeakPolarHBondContact CB-O 3.24Å; Y498-S611 PolarHBondContact N-O 2.7Å; Y498-S611 PolarHBondContact O-N 2.67Å; D590-S611 PolarHBondContact OD2-OG 3.5Å; Y595-S611 WeakPolarHBondContact CB-OG 3.38Å
612	C	92.8	Very high	88.5	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.007	17%	0.165	C	C	.	.			trans	-144.3	133.8	-176.4	-175.9	0	0	0	0	111.5	E496 A497 L596 D614 R615 M618	E496-C612 PolarHBondContact O-SG 3.49Å; A497-C612 HydrophobicContact CB-CB 4.17Å; L596-C612 PolarHBondContact O-N 3.01Å; L596-C612 VanDerWaalsContact O-N 3.12Å; C612-D614 VanDerWaalsContact C-N 3.33Å; C612-D614 PolarHBondContact O-N 3.42Å; C612-R615 HydrophobicContact CB-CB 4.34Å; C612-R615 WeakPolarHBondContact O-CB 3.31Å; C612-R615 PolarHBondContact O-N 2.75Å; C612-M618 HydrophobicContact CB-CE 4.29Å
613	K	91.3	Very high	89	Confident	150 Å²	150	28.2 Å²	28.2	65%	0.652	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-44.9	176.2	-176.6	-177.1	176	-174.6	0	111.8	Y595 R615	Y595-K613 HydrophobicContact CD1-CB 4.25Å; Y595-K613 HydrophobicContact CD1-CG 4.48Å; Y595-K613 HydrophobicContact CD2-CB 4.2Å; Y595-K613 HydrophobicContact CE1-CB 4.23Å; Y595-K613 HydrophobicContact CE1-CG 4.28Å; Y595-K613 HydrophobicContact CE2-CB 4.15Å; Y595-K613 HydrophobicContact CG-CB 4.25Å; K613-R615 VanDerWaalsContact C-N 3.33Å; K613-R615 PolarHBondContact O-N 3.45Å
614	D	92.9	Very high	89.9	Confident	78 Å²	78	30.3 Å²	30.3	42%	0.417	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	35.6	-178.4	-59.8	-50.7	0	0	0	111.7	F495 C612 N616 I617 M618	F495-D614 HydrophobicContact CD1-CB 4.16Å; F495-D614 HydrophobicContact CE1-CB 4.44Å; C612-D614 VanDerWaalsContact C-N 3.33Å; C612-D614 PolarHBondContact O-N 3.42Å; D614-N616 VanDerWaalsContact C-N 3.27Å; D614-N616 PolarHBondContact O-N 2.89Å; D614-I617 HydrophobicContact CB-CB 4.32Å; D614-I617 HydrophobicContact CB-CD1 4.19Å; D614-I617 HydrophobicContact CB-CG1 4.47Å; D614-I617 PolarHBondContact O-N 2.78Å; D614-M618 PolarHBondContact O-N 3.04Å
615	R	93.3	Very high	90.9	Very high	6 Å²	6	29.2 Å²	29.2	2%	0.023	15%	0.146	C	C	.	.	H	α-helix	trans	-47.2	-47	-176.5	-176	-151.4	61	-178.2	-0.5	112.7	C452 Y587 L596 T597 L598 C612 K613 M618 A619	C452-R615 PolarHBondContact SG-NH2 2.72Å; C452-R615 VanDerWaalsContact SG-NH2 3.37Å; Y587-R615 PolarHBondContact O-NH1 2.7Å; L596-R615 HydrophobicContact CB-CB 4.2Å; L596-R615 HydrophobicContact CB-CG 4.46Å; T597-R615 WeakPolarHBondContact O-CD 3.47Å; L598-R615 HydrophobicContact CB-CG 4.24Å; L598-R615 HydrophobicContact CD2-CG 3.6Å; L598-R615 HydrophobicContact CG-CG 4.25Å; C612-R615 HydrophobicContact CB-CB 4.34Å; C612-R615 WeakPolarHBondContact O-CB 3.31Å; C612-R615 PolarHBondContact O-N 2.75Å; K613-R615 VanDerWaalsContact C-N 3.33Å; K613-R615 PolarHBondContact O-N 3.45Å; R615-M618 PolarHBondContact O-N 3.27Å; R615-A619 WeakPolarHBondContact O-CB 3.34Å; R615-A619 PolarHBondContact O-N 2.97Å
616	N	93.3	Very high	91.5	Very high	17 Å²	17	28.3 Å²	28.3	9%	0.091	14%	0.142	C	C	.	.	H	α-helix	trans	-65.6	-40.9	-177.4	-64.9	-12.7	0	0	0	112.1	I472 L474 D614 A620	I472-N616 HydrophobicContact CG2-CB 4.4Å; L474-N616 HydrophobicContact CD2-CB 4.19Å; D614-N616 VanDerWaalsContact C-N 3.27Å; D614-N616 PolarHBondContact O-N 2.89Å; N616-A620 WeakPolarHBondContact O-CB 3.36Å; N616-A620 PolarHBondContact O-N 3.12Å
617	I	95.2	Very high	92	Very high	15 Å²	15	25.7 Å²	25.7	8%	0.077	12%	0.123	C	C	.	.	H	α-helix	trans	-66.1	-44.5	177	-56.2	179.7	0	0	0	109.5	E478 C481 V482 F495 D614 T621	E478-I617 HydrophobicContact CB-CD1 4.41Å; E478-I617 HydrophobicContact CB-CG1 4.1Å; E478-I617 HydrophobicContact CG-CD1 3.97Å; E478-I617 HydrophobicContact CG-CG1 3.89Å; C481-I617 HydrophobicContact CB-CD1 4.48Å; C481-I617 HydrophobicContact CB-CG2 4.45Å; V482-I617 HydrophobicContact CG2-CB 4.47Å; V482-I617 HydrophobicContact CG2-CG2 3.84Å; F495-I617 HydrophobicContact CE1-CB 4.16Å; F495-I617 HydrophobicContact CE1-CG2 3.82Å; F495-I617 HydrophobicContact CZ-CG2 4.09Å; D614-I617 HydrophobicContact CB-CB 4.32Å; D614-I617 HydrophobicContact CB-CD1 4.19Å; D614-I617 HydrophobicContact CB-CG1 4.47Å; D614-I617 PolarHBondContact O-N 2.78Å; I617-T621 WeakPolarHBondContact O-CB 3.34Å; I617-T621 PolarHBondContact O-N 3.21Å; I617-T621 PolarHBondContact O-OG1 3.28Å
618	M	94.9	Very high	91.9	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.015	13%	0.132	C	C	.	.	H	α-helix	trans	-58.9	-50.2	176.9	-173.6	176.6	72.7	0	0	110.8	F495 C552 I554 L598 L610 C612 D614 R615 T621 F622	F495-M618 HydrophobicContact CB-CG 4.38Å; F495-M618 HydrophobicContact CB-SD 3.94Å; F495-M618 HydrophobicContact CD1-CB 3.93Å; F495-M618 HydrophobicContact CD1-CG 4.43Å; F495-M618 HydrophobicContact CD2-CB 4Å; F495-M618 HydrophobicContact CD2-CG 3.67Å; F495-M618 HydrophobicContact CD2-SD 4.22Å; F495-M618 HydrophobicContact CE1-CB 4.04Å; F495-M618 HydrophobicContact CE2-CB 4.13Å; F495-M618 HydrophobicContact CE2-CG 4.04Å; F495-M618 HydrophobicContact CG-CB 3.91Å; F495-M618 HydrophobicContact CG-CG 3.9Å; F495-M618 HydrophobicContact CG-SD 4.13Å; F495-M618 HydrophobicContact CZ-CB 4.15Å; C552-M618 HydrophobicContact CB-SD 3.68Å; I554-M618 HydrophobicContact CD1-CG 3.55Å; I554-M618 VanDerWaalsContact CD1-O 3.29Å; I554-M618 WeakPolarHBondContact CD1-O 3.37Å; L598-M618 HydrophobicContact CD1-CE 4.37Å; L598-M618 HydrophobicContact CD2-CE 3.45Å; L598-M618 VanDerWaalsContact CD2-CE 3.45Å; L598-M618 HydrophobicContact CG-CE 4.11Å; L610-M618 HydrophobicContact CD1-CE 4.47Å; C612-M618 HydrophobicContact CB-CE 4.29Å; D614-M618 PolarHBondContact O-N 3.04Å; R615-M618 PolarHBondContact O-N 3.27Å; M618-T621 PolarHBondContact O-N 3.02Å; M618-F622 PolarHBondContact O-N 3.42Å; M618-F622 VanDerWaalsContact O-N 3.15Å
619	A	94.7	Very high	91.4	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.6	-49.6	179.3	0	0	0	0	0	112.2	I472 F584 Y586 L598 R615 T621 F622 I623	I472-A619 HydrophobicContact CD1-CB 3.87Å; F584-A619 HydrophobicContact CD2-CB 3.96Å; F584-A619 HydrophobicContact CE2-CB 4.1Å; Y586-A619 HydrophobicContact CE1-CB 3.84Å; L598-A619 HydrophobicContact CD2-CB 4.42Å; R615-A619 WeakPolarHBondContact O-CB 3.34Å; R615-A619 PolarHBondContact O-N 2.97Å; A619-T621 VanDerWaalsContact C-N 3.3Å; A619-T621 PolarHBondContact O-N 3.45Å; A619-F622 WeakPolarHBondContact O-CB 3.35Å; A619-F622 PolarHBondContact O-N 2.67Å; A619-I623 WeakPolarHBondContact O-CG1 3.46Å; A619-I623 PolarHBondContact O-N 2.79Å
620	A	95.2	Very high	90.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.7	-35.1	178.4	0	0	0	0	0	112.9	V376 I472 L474 V482 N616 I623 R624	V376-A620 HydrophobicContact CG1-CB 3.9Å; V376-A620 HydrophobicContact CG2-CB 4.11Å; I472-A620 HydrophobicContact CD1-CB 4.34Å; I472-A620 HydrophobicContact CG2-CB 4.25Å; L474-A620 HydrophobicContact CD1-CB 3.85Å; L474-A620 HydrophobicContact CD2-CB 4.08Å; L474-A620 HydrophobicContact CG-CB 4.4Å; V482-A620 HydrophobicContact CG1-CB 4.4Å; V482-A620 HydrophobicContact CG2-CB 3.94Å; N616-A620 WeakPolarHBondContact O-CB 3.36Å; N616-A620 PolarHBondContact O-N 3.12Å; A620-I623 PolarHBondContact O-N 3.21Å; A620-R624 WeakPolarHBondContact O-CB 3.34Å; A620-R624 WeakPolarHBondContact O-CG 3.39Å; A620-R624 PolarHBondContact O-N 3.37Å
621	T	94.7	Very high	89.7	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.6	-45.8	175	-62	0	0	0	0	110.9	N485 I493 I554 I617 M618 A619 R624 F625	N485-T621 HydrophobicContact CB-CG2 3.98Å; N485-T621 PolarHBondContact ND2-OG1 2.68Å; I493-T621 HydrophobicContact CD1-CG2 3.9Å; I554-T621 HydrophobicContact CG2-CG2 4.19Å; I617-T621 WeakPolarHBondContact O-CB 3.34Å; I617-T621 PolarHBondContact O-N 3.21Å; I617-T621 PolarHBondContact O-OG1 3.28Å; M618-T621 PolarHBondContact O-N 3.02Å; A619-T621 VanDerWaalsContact C-N 3.3Å; A619-T621 PolarHBondContact O-N 3.45Å; T621-R624 PolarHBondContact O-N 3.1Å; T621-F625 HydrophobicContact CG2-CD2 4.02Å; T621-F625 HydrophobicContact CG2-CE2 3.67Å; T621-F625 VanDerWaalsContact O-CD2 3.25Å; T621-F625 WeakPolarHBondContact O-CD2 3.36Å; T621-F625 PolarHBondContact O-N 2.65Å; T621-F625 VanDerWaalsContact O-N 3.11Å
622	F	93.6	Very high	88.4	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.8	-51.1	174.8	179.3	-85.5	0	0	0	111.5	I554 L559 R577 V578 T582 F584 M618 A619 R624 F625 L626	I554-F622 HydrophobicContact CD1-CB 4.28Å; L559-F622 HydrophobicContact CB-CD2 4.1Å; L559-F622 HydrophobicContact CB-CE2 4.15Å; R577-F622 WeakPolarHBondContact O-CZ 3.44Å; V578-F622 HydrophobicContact CB-CE2 4.11Å; V578-F622 HydrophobicContact CB-CZ 4.4Å; V578-F622 HydrophobicContact CG1-CD2 4.49Å; V578-F622 HydrophobicContact CG1-CE2 4.28Å; V578-F622 HydrophobicContact CG1-CZ 4.34Å; V578-F622 HydrophobicContact CG2-CD2 3.81Å; V578-F622 HydrophobicContact CG2-CE2 3.62Å; V578-F622 HydrophobicContact CG2-CZ 4.38Å; T582-F622 HydrophobicContact CG2-CE1 4.46Å; T582-F622 HydrophobicContact CG2-CE2 4.18Å; T582-F622 HydrophobicContact CG2-CZ 3.68Å; F584-F622 HydrophobicContact CE1-CD1 4.34Å; F584-F622 HydrophobicContact CE1-CE1 4.4Å; F584-F622 HydrophobicContact CE1-CG 4.44Å; F584-F622 HydrophobicContact CE2-CB 3.73Å; F584-F622 AromaticContact CE2-CD1 3.66Å; F584-F622 HydrophobicContact CE2-CD1 3.66Å; F584-F622 HydrophobicContact CE2-CD2 4.48Å; F584-F622 HydrophobicContact CE2-CE1 4.41Å; F584-F622 AromaticContact CE2-CG 3.72Å; F584-F622 HydrophobicContact CE2-CG 3.72Å; F584-F622 HydrophobicContact CZ-CB 3.81Å; F584-F622 AromaticContact CZ-CD1 3.54Å; F584-F622 HydrophobicContact CZ-CD1 3.54Å; F584-F622 AromaticContact CZ-CD2 3.75Å; F584-F622 HydrophobicContact CZ-CD2 3.75Å; F584-F622 HydrophobicContact CZ-CE1 4.02Å; F584-F622 HydrophobicContact CZ-CE2 4.17Å; F584-F622 AromaticContact CZ-CG 3.41Å; F584-F622 HydrophobicContact CZ-CG 3.41Å; F584-F622 VanDerWaalsContact CZ-CG 3.41Å; F584-F622 HydrophobicContact CZ-CZ 4.31Å; M618-F622 PolarHBondContact O-N 3.42Å; M618-F622 VanDerWaalsContact O-N 3.15Å; A619-F622 WeakPolarHBondContact O-CB 3.35Å; A619-F622 PolarHBondContact O-N 2.67Å; F622-R624 VanDerWaalsContact C-N 3.32Å; F622-R624 PolarHBondContact O-N 2.94Å; F622-F625 PolarHBondContact O-N 3.14Å; F622-F625 VanDerWaalsContact O-N 3.17Å; F622-L626 PolarHBondContact O-N 2.99Å
623	I	92.4	Very high	87.3	Confident	7 Å²	7	30.5 Å²	30.5	4%	0.036	15%	0.153	C	C	.	.	H	α-helix	trans	-62.6	-37.4	-178.5	-63.5	-61.7	0	0	0	111.6	T374 V376 I472 A619 A620 L626 H627	T374-I623 HydrophobicContact CG2-CD1 4.22Å; T374-I623 HydrophobicContact CG2-CG1 4.01Å; T374-I623 HydrophobicContact CG2-CG2 4.27Å; T374-I623 WeakPolarHBondContact O-CG2 3.29Å; V376-I623 HydrophobicContact CG2-CB 4Å; V376-I623 HydrophobicContact CG2-CG2 3.7Å; I472-I623 HydrophobicContact CD1-CG1 4.27Å; A619-I623 WeakPolarHBondContact O-CG1 3.46Å; A619-I623 PolarHBondContact O-N 2.79Å; A620-I623 PolarHBondContact O-N 3.21Å; I623-L626 HydrophobicContact CD1-CD2 4.41Å; I623-L626 WeakPolarHBondContact O-CB 3.2Å; I623-L626 PolarHBondContact O-N 3.32Å; I623-H627 VanDerWaalsContact CG2-NE2 3.3Å; I623-H627 WeakPolarHBondContact CG2-NE2 3.49Å; I623-H627 PolarHBondContact O-CD2 3.2Å; I623-H627 VanDerWaalsContact O-CG 3.31Å; I623-H627 PolarHBondContact O-N 3.37Å
624	R	91.1	Very high	86.3	Confident	95 Å²	95	25.3 Å²	25.3	36%	0.358	13%	0.131	S	C	.	.	H	α-helix	trans	-67	-38.9	175.3	-74.2	-68	-170.5	-173.8	-3.4	113	V376 V482 V486 A620 T621 F622 L626 K628	V376-R624 HydrophobicContact CG2-CG 4.44Å; V376-R624 PolarHBondContact O-NH2 3.35Å; V482-R624 HydrophobicContact CG1-CB 4.38Å; V482-R624 HydrophobicContact CG1-CG 3.83Å; V486-R624 HydrophobicContact CG2-CB 3.67Å; A620-R624 WeakPolarHBondContact O-CB 3.34Å; A620-R624 WeakPolarHBondContact O-CG 3.39Å; A620-R624 PolarHBondContact O-N 3.37Å; T621-R624 PolarHBondContact O-N 3.1Å; F622-R624 VanDerWaalsContact C-N 3.32Å; F622-R624 PolarHBondContact O-N 2.94Å; R624-L626 VanDerWaalsContact C-N 3.34Å; R624-K628 WeakPolarHBondContact O-CB 3.49Å; R624-K628 PolarHBondContact O-N 3.44Å; R624-K628 VanDerWaalsContact O-N 3.14Å
625	F	89.6	Confident	85.5	Confident	7 Å²	7	24.3 Å²	24.3	3%	0.031	13%	0.128	C	C	.	.	H	α-helix	trans	-63.7	-42.7	171.2	-76.8	-51.8	0	0	0	111.2	V486 I493 I554 P556 V578 T621 F622 K628 N629	V486-F625 HydrophobicContact CB-CE1 4.18Å; V486-F625 HydrophobicContact CB-CZ 4.47Å; V486-F625 HydrophobicContact CG1-CD1 4.13Å; V486-F625 HydrophobicContact CG1-CE1 4Å; V486-F625 HydrophobicContact CG2-CD1 4.43Å; V486-F625 HydrophobicContact CG2-CE1 4.23Å; V486-F625 HydrophobicContact CG2-CE2 4.49Å; V486-F625 HydrophobicContact CG2-CZ 4.28Å; I493-F625 HydrophobicContact CD1-CE2 3.76Å; I493-F625 HydrophobicContact CD1-CZ 3.89Å; I554-F625 HydrophobicContact CG2-CD2 3.69Å; I554-F625 HydrophobicContact CG2-CE2 3.88Å; P556-F625 HydrophobicContact CB-CD1 4.03Å; P556-F625 HydrophobicContact CB-CE1 4.37Å; P556-F625 HydrophobicContact CG-CD1 3.8Å; P556-F625 HydrophobicContact CG-CE1 3.63Å; P556-F625 HydrophobicContact CG-CZ 4.23Å; V578-F625 HydrophobicContact CG1-CB 3.88Å; T621-F625 HydrophobicContact CG2-CD2 4.02Å; T621-F625 HydrophobicContact CG2-CE2 3.67Å; T621-F625 VanDerWaalsContact O-CD2 3.25Å; T621-F625 WeakPolarHBondContact O-CD2 3.36Å; T621-F625 PolarHBondContact O-N 2.65Å; T621-F625 VanDerWaalsContact O-N 3.11Å; F622-F625 PolarHBondContact O-N 3.14Å; F622-F625 VanDerWaalsContact O-N 3.17Å; F625-K628 PolarHBondContact O-N 3.06Å; F625-N629 PolarHBondContact O-N 3.17Å; F625-N629 PolarHBondContact O-OD1 3.2Å
626	L	87	Confident	84.8	Confident	4 Å²	4	24.9 Å²	24.9	2%	0.021	13%	0.13	C	C	.	.	H	α-helix	trans	-57	-51.6	175.7	176	60.9	0	0	0	111.7	V578 P580 F622 I623 R624 K628 N629 I630	V578-L626 HydrophobicContact CG1-CB 3.88Å; P580-L626 HydrophobicContact CG-CD1 4.06Å; F622-L626 PolarHBondContact O-N 2.99Å; I623-L626 HydrophobicContact CD1-CD2 4.41Å; I623-L626 WeakPolarHBondContact O-CB 3.2Å; I623-L626 PolarHBondContact O-N 3.32Å; R624-L626 VanDerWaalsContact C-N 3.34Å; L626-K628 VanDerWaalsContact C-N 3.26Å; L626-K628 PolarHBondContact O-N 3.09Å; L626-N629 WeakPolarHBondContact O-CB 3.23Å; L626-N629 PolarHBondContact O-N 3.36Å; L626-I630 HydrophobicContact CD1-CD1 4.49Å; L626-I630 HydrophobicContact CD1-CG2 3.94Å; L626-I630 HydrophobicContact CG-CD1 4.39Å; L626-I630 WeakPolarHBondContact O-CG1 3.48Å; L626-I630 PolarHBondContact O-N 3Å
627	H	86	Confident	84.2	Confident	24 Å²	24	28.3 Å²	28.3	11%	0.111	15%	0.146	C	C	.	.	H	α-helix	trans	-59.3	-38.9	180	-71.3	-162.8	0	0	0	112.1	F372 T374 I623 N629 G631	F372-H627 AromaticContact CD1-CD2 3.29Å; F372-H627 WeakPolarHBondContact CD1-CD2 3.23Å; F372-H627 AromaticContact CD1-CE1 3.66Å; F372-H627 AromaticContact CD1-CG 3.79Å; F372-H627 AromaticContact CD1-ND1 3.99Å; F372-H627 AromaticContact CD1-NE2 3.24Å; F372-H627 WeakPolarHBondContact CD1-NE2 3.47Å; F372-H627 AromaticContact CD2-CE1 3.7Å; F372-H627 HydrophobicContact CE1-CB 3.89Å; F372-H627 AromaticContact CE1-CD2 3.39Å; F372-H627 WeakPolarHBondContact CE1-CD2 3.28Å; F372-H627 AromaticContact CE1-CG 3.46Å; F372-H627 VanDerWaalsContact CE1-CG 3.46Å; F372-H627 AromaticContact CE1-ND1 3.86Å; F372-H627 AromaticContact CE1-NE2 3.78Å; F372-H627 AromaticContact CE2-ND1 3.89Å; F372-H627 AromaticContact CG-CD2 3.9Å; F372-H627 AromaticContact CG-CE1 3.44Å; F372-H627 VanDerWaalsContact CG-CE1 3.44Å; F372-H627 WeakPolarHBondContact CG-CE1 3.4Å; F372-H627 AromaticContact CG-NE2 3.36Å; F372-H627 WeakPolarHBondContact CG-NE2 3.45Å; F372-H627 HydrophobicContact CZ-CB 3.97Å; F372-H627 AromaticContact CZ-CG 3.69Å; F372-H627 AromaticContact CZ-ND1 3.74Å; T374-H627 PolarHBondContact O-CE1 3.48Å; T374-H627 PolarHBondContact O-NE2 3.45Å; I623-H627 VanDerWaalsContact CG2-NE2 3.3Å; I623-H627 WeakPolarHBondContact CG2-NE2 3.49Å; I623-H627 PolarHBondContact O-CD2 3.2Å; I623-H627 VanDerWaalsContact O-CG 3.31Å; I623-H627 PolarHBondContact O-N 3.37Å; H627-N629 VanDerWaalsContact C-N 3.33Å; H627-G631 PolarHBondContact O-N 3.32Å; H627-G631 VanDerWaalsContact O-N 3.12Å
628	K	82.5	Confident	83.5	Confident	140 Å²	140	30 Å²	30	61%	0.609	16%	0.155	S	C	*	.	H	α-helix	trans	-67	-35.3	176.1	-171.4	176.7	-179	177.9	0	112	R624 F625 L626	R624-K628 WeakPolarHBondContact O-CB 3.49Å; R624-K628 PolarHBondContact O-N 3.44Å; R624-K628 VanDerWaalsContact O-N 3.14Å; F625-K628 PolarHBondContact O-N 3.06Å; L626-K628 VanDerWaalsContact C-N 3.26Å; L626-K628 PolarHBondContact O-N 3.09Å
629	N	80	Confident	83	Confident	37 Å²	37	30.4 Å²	30.4	20%	0.198	16%	0.157	C	C	.	.	H	α-helix	trans	-71.8	-42.4	178.6	-69.2	-12.5	0	0	0	112.1	P556 F625 L626 H627 F642 I890	P556-N629 PolarHBondContact O-ND2 3.29Å; F625-N629 PolarHBondContact O-N 3.17Å; F625-N629 PolarHBondContact O-OD1 3.2Å; L626-N629 WeakPolarHBondContact O-CB 3.23Å; L626-N629 PolarHBondContact O-N 3.36Å; H627-N629 VanDerWaalsContact C-N 3.33Å; N629-F642 WeakPolarHBondContact O-CE1 3.5Å; N629-I890 WeakPolarHBondContact O-CG2 3.3Å
630	I	76.5	Confident	82.7	Confident	2 Å²	2	31 Å²	31	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-91.3	-6.9	-173.6	69.8	-179.4	0	0	0	114.4	F372 P580 L626 G632 E634 I890	F372-I630 HydrophobicContact CD1-CD1 3.91Å; F372-I630 HydrophobicContact CE1-CD1 3.71Å; F372-I630 HydrophobicContact CE1-CG1 3.91Å; P580-I630 HydrophobicContact CG-CD1 4.43Å; P580-I630 HydrophobicContact CG-CG2 4.04Å; L626-I630 HydrophobicContact CD1-CD1 4.49Å; L626-I630 HydrophobicContact CD1-CG2 3.94Å; L626-I630 HydrophobicContact CG-CD1 4.39Å; L626-I630 WeakPolarHBondContact O-CG1 3.48Å; L626-I630 PolarHBondContact O-N 3Å; I630-G632 PolarHBondContact O-N 2.98Å; I630-E634 HydrophobicContact CD1-CG 3.74Å; I630-I890 HydrophobicContact CG2-CB 4Å; I630-I890 HydrophobicContact CG2-CG2 4.01Å
631	G	72.3	Confident	82.3	Confident	33 Å²	33	34.6 Å²	34.6	34%	0.34	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	15.5	166.7	0	0	0	0	0	116.7	H627	H627-G631 PolarHBondContact O-N 3.32Å; H627-G631 VanDerWaalsContact O-N 3.12Å
632	G	66.4	Low	82	Confident	20 Å²	20	35.8 Å²	35.8	21%	0.206	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	119.9	-10.6	173.7	0	0	0	0	0	116.7	Y370 F372 I630	Y370-G632 CarbonylContact C-O 3.55Å; F372-G632 WeakPolarHBondContact CE2-O 3.21Å; F372-G632 VanDerWaalsContact CZ-O 3.3Å; F372-G632 WeakPolarHBondContact CZ-O 3.46Å; I630-G632 PolarHBondContact O-N 2.98Å
633	S	69.6	Low	81.9	Confident	3 Å²	3	35.8 Å²	35.8	2%	0.021	19%	0.185	C	C	.	.			trans	-160.6	149.8	-172.8	178.9	0	0	0	0	111.8	T635 D638	S633-T635 PolarHBondContact OG-N 3.44Å; S633-D638 VanDerWaalsContact CB-OD2 3.24Å; S633-D638 WeakPolarHBondContact CB-OD2 3.48Å; S633-D638 WeakPolarHBondContact OG-CB 3.28Å; S633-D638 PolarHBondContact OG-OD2 3.4Å
634	E	72	Confident	82	Confident	40 Å²	40	37.6 Å²	37.6	19%	0.187	19%	0.193	C	C	.	.			trans	-91.9	-7.4	176.7	-69.9	173.3	-171.8	0	0	113.3	S373 I630 K639	S373-E634 PolarHBondContact N-OE1 3.42Å; S373-E634 PolarHBondContact N-OE2 2.88Å; S373-E634 PolarHBondContact OG-OE1 3.34Å; I630-E634 HydrophobicContact CD1-CG 3.74Å; E634-K639 WeakPolarHBondContact O-CE 3.33Å; E634-K639 PolarHBondContact O-NZ 2.91Å
635	T	75.3	Confident	82	Confident	57 Å²	57	39.4 Å²	39.4	35%	0.35	20%	0.2	S	C	.	.	S	Bend	trans	-70.6	143.2	-179.9	83.4	0	0	0	0	111.4	S633 Q637 D638 K639	S633-T635 PolarHBondContact OG-N 3.44Å; T635-Q637 VanDerWaalsContact C-N 3.3Å; T635-Q637 PolarHBondContact O-N 3.45Å; T635-D638 PolarHBondContact O-N 3.09Å; T635-D638 VanDerWaalsContact O-N 3.16Å; T635-D638 WeakPolarHBondContact OG1-CB 3.42Å; T635-D638 PolarHBondContact OG1-N 2.9Å; T635-D638 PolarHBondContact OG1-OD2 3.35Å; T635-K639 WeakPolarHBondContact O-CG 3.24Å; T635-K639 PolarHBondContact O-N 3.43Å
636	F	78.8	Confident	82.2	Confident	18 Å²	18	41.4 Å²	41.4	8%	0.079	21%	0.21	C	C	.	.	H	α-helix	trans	-52.8	-47.1	177.9	175.1	-114.6	0	0	0	112.4	D638 K639 V640 F891 E895 L898	F636-D638 VanDerWaalsContact C-N 3.34Å; F636-D638 PolarHBondContact O-N 3.07Å; F636-K639 WeakPolarHBondContact O-CB 3.39Å; F636-K639 PolarHBondContact O-N 3.06Å; F636-V640 HydrophobicContact CD1-CG2 4.35Å; F636-V640 HydrophobicContact CD2-CG2 4.06Å; F636-V640 HydrophobicContact CE1-CG2 3.94Å; F636-V640 HydrophobicContact CE2-CG2 3.61Å; F636-V640 HydrophobicContact CG-CG2 4.41Å; F636-V640 HydrophobicContact CZ-CG2 3.55Å; F636-V640 VanDerWaalsContact O-CG2 3.24Å; F636-V640 WeakPolarHBondContact O-CG2 3.22Å; F636-V640 PolarHBondContact O-N 2.99Å; F636-F891 HydrophobicContact CD2-CD1 4.27Å; F636-F891 HydrophobicContact CD2-CE1 4.29Å; F636-F891 HydrophobicContact CE2-CD1 4.22Å; F636-F891 HydrophobicContact CE2-CE1 4.18Å; F636-E895 HydrophobicContact CD2-CB 3.7Å; F636-E895 HydrophobicContact CD2-CG 3.6Å; F636-E895 HydrophobicContact CE2-CB 3.85Å; F636-E895 HydrophobicContact CE2-CG 4.24Å; F636-E895 WeakPolarHBondContact CE2-O 3.26Å; F636-E895 HydrophobicContact CG-CG 4.36Å; F636-L898 HydrophobicContact CE1-CB 4.1Å; F636-L898 HydrophobicContact CE1-CD1 4.45Å; F636-L898 HydrophobicContact CE2-CB 4.15Å; F636-L898 HydrophobicContact CZ-CB 3.56Å; F636-L898 HydrophobicContact CZ-CD1 4.49Å
637	Q	79.8	Confident	82.5	Confident	90 Å²	90	41.2 Å²	41.2	42%	0.421	21%	0.209	S	C	.	.	H	α-helix	trans	-64.9	-37.4	-178.2	-173.6	58	61.7	0	0	112.4	T635 V640 N641	T635-Q637 VanDerWaalsContact C-N 3.3Å; T635-Q637 PolarHBondContact O-N 3.45Å; Q637-V640 PolarHBondContact O-N 3.43Å; Q637-N641 PolarHBondContact NE2-OD1 3.31Å; Q637-N641 WeakPolarHBondContact O-CB 3.36Å; Q637-N641 PolarHBondContact O-N 3.21Å; Q637-N641 PolarHBondContact O-ND2 3.42Å; Q637-N641 PolarHBondContact O-OD1 3.42Å
638	D	80.9	Confident	82.8	Confident	49 Å²	49	44.8 Å²	44.8	26%	0.262	22%	0.221	S	C	.	.	H	α-helix	trans	-71.2	-40.8	176.8	-64.6	-34.9	0	0	0	111.7	S633 T635 F636 V640 N641 F642	S633-D638 VanDerWaalsContact CB-OD2 3.24Å; S633-D638 WeakPolarHBondContact CB-OD2 3.48Å; S633-D638 WeakPolarHBondContact OG-CB 3.28Å; S633-D638 PolarHBondContact OG-OD2 3.4Å; T635-D638 PolarHBondContact O-N 3.09Å; T635-D638 VanDerWaalsContact O-N 3.16Å; T635-D638 WeakPolarHBondContact OG1-CB 3.42Å; T635-D638 PolarHBondContact OG1-N 2.9Å; T635-D638 PolarHBondContact OG1-OD2 3.35Å; F636-D638 VanDerWaalsContact C-N 3.34Å; F636-D638 PolarHBondContact O-N 3.07Å; D638-V640 VanDerWaalsContact C-N 3.3Å; D638-V640 PolarHBondContact O-N 2.84Å; D638-N641 PolarHBondContact O-N 2.9Å; D638-F642 WeakPolarHBondContact O-CB 3.46Å; D638-F642 PolarHBondContact O-N 2.87Å
639	K	84.8	Confident	83.3	Confident	13 Å²	13	44.2 Å²	44.2	6%	0.057	22%	0.22	C	C	.	.	H	α-helix	trans	-56.8	-44.6	171.1	-69.7	171.6	-179.5	167.3	0	110.9	E634 T635 F636 F642 F643 I890 F891 E895	E634-K639 WeakPolarHBondContact O-CE 3.33Å; E634-K639 PolarHBondContact O-NZ 2.91Å; T635-K639 WeakPolarHBondContact O-CG 3.24Å; T635-K639 PolarHBondContact O-N 3.43Å; F636-K639 WeakPolarHBondContact O-CB 3.39Å; F636-K639 PolarHBondContact O-N 3.06Å; K639-F642 PolarHBondContact O-N 2.82Å; K639-F643 WeakPolarHBondContact O-CB 3.26Å; K639-F643 PolarHBondContact O-N 2.58Å; K639-I890 HydrophobicContact CB-CD1 3.98Å; K639-I890 HydrophobicContact CB-CG1 4.38Å; K639-I890 WeakPolarHBondContact CD-O 3.48Å; K639-I890 WeakPolarHBondContact CE-O 3.46Å; K639-I890 HydrophobicContact CG-CD1 4.43Å; K639-F891 HydrophobicContact CB-CD1 4.11Å; K639-F891 HydrophobicContact CB-CE1 3.49Å; K639-F891 VanDerWaalsContact CB-CE1 3.49Å; K639-F891 HydrophobicContact CB-CZ 4.07Å; K639-F891 HydrophobicContact CD-CD1 4.21Å; K639-F891 HydrophobicContact CD-CE1 4.41Å; K639-E895 IonicContact NZ-OE1 3.6Å; K639-E895 PolarHBondContact NZ-OE1 3.39Å; K639-E895 IonicContact NZ-OE2 3.65Å; K639-E895 PolarHBondContact NZ-OE2 3.03Å
640	V	87.8	Confident	83.9	Confident	12 Å²	12	46 Å²	46	7%	0.073	23%	0.229	C	C	.	.	H	α-helix	trans	-61.3	-48.2	175.3	171.8	0	0	0	0	110.8	F636 Q637 D638 F642 F643 Q644 F891 L899	F636-V640 HydrophobicContact CD1-CG2 4.35Å; F636-V640 HydrophobicContact CD2-CG2 4.06Å; F636-V640 HydrophobicContact CE1-CG2 3.94Å; F636-V640 HydrophobicContact CE2-CG2 3.61Å; F636-V640 HydrophobicContact CG-CG2 4.41Å; F636-V640 HydrophobicContact CZ-CG2 3.55Å; F636-V640 VanDerWaalsContact O-CG2 3.24Å; F636-V640 WeakPolarHBondContact O-CG2 3.22Å; F636-V640 PolarHBondContact O-N 2.99Å; Q637-V640 PolarHBondContact O-N 3.43Å; D638-V640 VanDerWaalsContact C-N 3.3Å; D638-V640 PolarHBondContact O-N 2.84Å; V640-F642 VanDerWaalsContact C-N 3.33Å; V640-F642 PolarHBondContact O-N 2.83Å; V640-F643 PolarHBondContact O-N 3.22Å; V640-Q644 HydrophobicContact CG1-CG 4.24Å; V640-Q644 VanDerWaalsContact CG1-NE2 3.35Å; V640-Q644 WeakPolarHBondContact O-CB 3.29Å; V640-Q644 WeakPolarHBondContact O-CG 3.36Å; V640-Q644 PolarHBondContact O-N 2.92Å; V640-F891 HydrophobicContact CG2-CE1 4.03Å; V640-F891 HydrophobicContact CG2-CZ 4.4Å; V640-L899 HydrophobicContact CG1-CD1 4.34Å; V640-L899 HydrophobicContact CG2-CD1 4.07Å
641	N	86.9	Confident	84.7	Confident	76 Å²	76	46.2 Å²	46.2	41%	0.406	23%	0.23	S	C	.	.	H	α-helix	trans	-60.5	-44.2	179.9	-70.4	-21.7	0	0	0	111.5	Q637 D638 R645	Q637-N641 PolarHBondContact NE2-OD1 3.31Å; Q637-N641 WeakPolarHBondContact O-CB 3.36Å; Q637-N641 PolarHBondContact O-N 3.21Å; Q637-N641 PolarHBondContact O-ND2 3.42Å; Q637-N641 PolarHBondContact O-OD1 3.42Å; D638-N641 PolarHBondContact O-N 2.9Å; N641-R645 WeakPolarHBondContact O-CB 3.33Å; N641-R645 PolarHBondContact O-N 3.32Å
642	F	88.6	Confident	85.5	Confident	24 Å²	24	48.4 Å²	48.4	11%	0.105	24%	0.24	C	C	.	.	H	α-helix	trans	-61.9	-54.1	174.8	175	-103.9	0	0	0	111.3	N629 D638 K639 V640 Q644 R645 E646 I890	N629-F642 WeakPolarHBondContact O-CE1 3.5Å; D638-F642 WeakPolarHBondContact O-CB 3.46Å; D638-F642 PolarHBondContact O-N 2.87Å; K639-F642 PolarHBondContact O-N 2.82Å; V640-F642 VanDerWaalsContact C-N 3.33Å; V640-F642 PolarHBondContact O-N 2.83Å; F642-Q644 VanDerWaalsContact C-N 3.32Å; F642-Q644 PolarHBondContact O-N 2.83Å; F642-R645 WeakPolarHBondContact O-CB 3.43Å; F642-R645 PolarHBondContact O-N 2.86Å; F642-R645 VanDerWaalsContact O-N 3.07Å; F642-E646 HydrophobicContact CD1-CG 4.31Å; F642-E646 HydrophobicContact CD2-CG 4.01Å; F642-E646 HydrophobicContact CE1-CG 3.87Å; F642-E646 HydrophobicContact CE2-CG 3.56Å; F642-E646 HydrophobicContact CG-CG 4.37Å; F642-E646 HydrophobicContact CZ-CG 3.5Å; F642-E646 VanDerWaalsContact CZ-CG 3.5Å; F642-E646 WeakPolarHBondContact O-CG 3.46Å; F642-E646 PolarHBondContact O-N 2.73Å; F642-I890 HydrophobicContact CD1-CD1 4.06Å
643	F	92.1	Very high	86.5	Confident	1 Å²	1	56.9 Å²	56.9	0%	0.004	27%	0.271	C	S	.	.	H	α-helix	trans	-51.1	-50.7	177.9	169.7	-96.3	0	0	0	111.8	K639 V640 R645 E646 L647 L760 V883 L887 L888 I890 F891 L899	K639-F643 WeakPolarHBondContact O-CB 3.26Å; K639-F643 PolarHBondContact O-N 2.58Å; V640-F643 PolarHBondContact O-N 3.22Å; F643-R645 VanDerWaalsContact C-N 3.34Å; F643-R645 PolarHBondContact O-N 3.07Å; F643-E646 PolarHBondContact O-N 3.27Å; F643-L647 HydrophobicContact CE1-CD2 3.91Å; F643-L647 HydrophobicContact CZ-CD2 3.84Å; F643-L647 VanDerWaalsContact O-CB 3.26Å; F643-L647 WeakPolarHBondContact O-CB 3.43Å; F643-L647 PolarHBondContact O-N 2.8Å; F643-L760 HydrophobicContact CE1-CB 4.44Å; F643-L760 HydrophobicContact CZ-CB 4.31Å; F643-L760 HydrophobicContact CZ-CD1 4.44Å; F643-V883 HydrophobicContact CE2-CG1 3.56Å; F643-V883 HydrophobicContact CZ-CG1 3.69Å; F643-L887 HydrophobicContact CD2-CB 3.89Å; F643-L887 HydrophobicContact CE2-CB 4.01Å; F643-L888 HydrophobicContact CD2-CD2 4.44Å; F643-L888 HydrophobicContact CE2-CD2 3.62Å; F643-L888 HydrophobicContact CE2-CG 4.35Å; F643-L888 HydrophobicContact CZ-CD2 4Å; F643-I890 HydrophobicContact CB-CD1 4.25Å; F643-F891 HydrophobicContact CB-CE2 3.92Å; F643-F891 HydrophobicContact CB-CZ 3.74Å; F643-F891 AromaticContact CD2-CE2 3.86Å; F643-F891 HydrophobicContact CD2-CE2 3.86Å; F643-F891 HydrophobicContact CD2-CZ 4.5Å; F643-F891 AromaticContact CG-CE2 3.9Å; F643-F891 HydrophobicContact CG-CE2 3.9Å; F643-F891 HydrophobicContact CG-CZ 4.09Å; F643-L899 HydrophobicContact CD1-CD1 4.09Å; F643-L899 HydrophobicContact CD1-CD2 4.25Å; F643-L899 HydrophobicContact CE1-CD1 4.26Å; F643-L899 HydrophobicContact CE1-CD2 4.1Å; F643-L899 HydrophobicContact CZ-CD2 4.28Å
644	Q	93.3	Very high	87.3	Confident	44 Å²	44	59.3 Å²	59.3	21%	0.206	28%	0.281	C	S	.	.	H	α-helix	trans	-65.1	-38.3	-179	-67.5	178.1	-1	0	0	111.7	V640 F642 R648 A764	V640-Q644 HydrophobicContact CG1-CG 4.24Å; V640-Q644 VanDerWaalsContact CG1-NE2 3.35Å; V640-Q644 WeakPolarHBondContact O-CB 3.29Å; V640-Q644 WeakPolarHBondContact O-CG 3.36Å; V640-Q644 PolarHBondContact O-N 2.92Å; F642-Q644 VanDerWaalsContact C-N 3.32Å; F642-Q644 PolarHBondContact O-N 2.83Å; Q644-R648 WeakPolarHBondContact O-CB 3.48Å; Q644-R648 VanDerWaalsContact O-CG 3.29Å; Q644-R648 WeakPolarHBondContact O-CG 3.38Å; Q644-R648 PolarHBondContact O-N 2.65Å; Q644-R648 PolarHBondContact O-NH1 2.82Å; Q644-A764 HydrophobicContact CB-CB 3.78Å; Q644-A764 HydrophobicContact CG-CB 3.83Å
645	R	92.4	Very high	87.8	Confident	133 Å²	133	61.2 Å²	61.2	50%	0.502	30%	0.297	S	S	.	.	H	α-helix	trans	-63.8	-49	176.3	-175.5	-177.4	71	-168.7	-1.4	111.7	N641 F642 F643 L647 R648 H649	N641-R645 WeakPolarHBondContact O-CB 3.33Å; N641-R645 PolarHBondContact O-N 3.32Å; F642-R645 WeakPolarHBondContact O-CB 3.43Å; F642-R645 PolarHBondContact O-N 2.86Å; F642-R645 VanDerWaalsContact O-N 3.07Å; F643-R645 VanDerWaalsContact C-N 3.34Å; F643-R645 PolarHBondContact O-N 3.07Å; R645-L647 VanDerWaalsContact C-N 3.34Å; R645-R648 PolarHBondContact O-N 2.81Å; R645-H649 PolarHBondContact O-N 2.81Å
646	E	92.5	Very high	88.4	Confident	50 Å²	50	62.1 Å²	62.1	23%	0.234	29%	0.294	C	S	.	.	H	α-helix	trans	-64.3	-41.2	179	-64.5	-47.7	124.6	0	0	111.1	F642 F643 R648 H649 I650 L887	F642-E646 HydrophobicContact CD1-CG 4.31Å; F642-E646 HydrophobicContact CD2-CG 4.01Å; F642-E646 HydrophobicContact CE1-CG 3.87Å; F642-E646 HydrophobicContact CE2-CG 3.56Å; F642-E646 HydrophobicContact CG-CG 4.37Å; F642-E646 HydrophobicContact CZ-CG 3.5Å; F642-E646 VanDerWaalsContact CZ-CG 3.5Å; F642-E646 WeakPolarHBondContact O-CG 3.46Å; F642-E646 PolarHBondContact O-N 2.73Å; F643-E646 PolarHBondContact O-N 3.27Å; E646-R648 PolarHBondContact O-N 2.98Å; E646-H649 WeakPolarHBondContact O-CB 3.21Å; E646-H649 PolarHBondContact O-N 3.29Å; E646-H649 VanDerWaalsContact O-N 3.09Å; E646-I650 WeakPolarHBondContact O-CG1 3.47Å; E646-I650 PolarHBondContact O-N 3.25Å; E646-L887 HydrophobicContact CB-CD1 4Å; E646-L887 HydrophobicContact CB-CD2 3.9Å; E646-L887 HydrophobicContact CG-CD2 4.3Å
647	L	93.9	Very high	89	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62	-43.6	176.6	-167.6	61	0	0	0	111.4	F643 R645 H649 I650 H651 Y761 A764 L882 V883	F643-L647 HydrophobicContact CE1-CD2 3.91Å; F643-L647 HydrophobicContact CZ-CD2 3.84Å; F643-L647 VanDerWaalsContact O-CB 3.26Å; F643-L647 WeakPolarHBondContact O-CB 3.43Å; F643-L647 PolarHBondContact O-N 2.8Å; R645-L647 VanDerWaalsContact C-N 3.34Å; L647-H649 VanDerWaalsContact C-N 3.3Å; L647-H649 PolarHBondContact O-N 3.23Å; L647-I650 PolarHBondContact O-N 3.13Å; L647-H651 PolarHBondContact O-CD2 3.36Å; L647-H651 PolarHBondContact O-N 3.47Å; L647-Y761 HydrophobicContact CG-CD2 4.43Å; L647-A764 HydrophobicContact CB-CB 4.41Å; L647-A764 HydrophobicContact CD2-CB 4Å; L647-L882 VanDerWaalsContact CD1-O 3.29Å; L647-L882 WeakPolarHBondContact CD1-O 3.34Å; L647-V883 HydrophobicContact CD1-CB 4.43Å; L647-V883 HydrophobicContact CD1-CG1 4.44Å; L647-V883 HydrophobicContact CD1-CG2 4.1Å; L647-V883 HydrophobicContact CD2-CG2 4.11Å
648	R	93.6	Very high	89.6	Confident	98 Å²	98	66.4 Å²	66.4	37%	0.37	32%	0.317	S	S	.	.	H	α-helix	trans	-59.6	-41.3	172.2	-74.7	-171.2	-57.4	-90.3	2.1	111.9	Q644 R645 E646 H651 S652 A764 L765	Q644-R648 WeakPolarHBondContact O-CB 3.48Å; Q644-R648 VanDerWaalsContact O-CG 3.29Å; Q644-R648 WeakPolarHBondContact O-CG 3.38Å; Q644-R648 PolarHBondContact O-N 2.65Å; Q644-R648 PolarHBondContact O-NH1 2.82Å; R645-R648 PolarHBondContact O-N 2.81Å; E646-R648 PolarHBondContact O-N 2.98Å; R648-H651 CarbonylContact O-C 3.55Å; R648-H651 PolarHBondContact O-N 2.83Å; R648-S652 PolarHBondContact O-N 3.28Å; R648-A764 VanDerWaalsContact CD-O 3.29Å; R648-A764 WeakPolarHBondContact CD-O 3.3Å; R648-A764 PolarHBondContact NH1-O 3.29Å; R648-L765 HydrophobicContact CG-CD2 4.15Å
649	H	92.8	Very high	90.3	Very high	129 Å²	129	65.2 Å²	65.2	60%	0.597	31%	0.312	S	S	*	.	H	α-helix	trans	-62.2	-44.1	179	-174.9	69	0	0	0	111.9	R645 E646 L647 H651 S652	R645-H649 PolarHBondContact O-N 2.81Å; E646-H649 WeakPolarHBondContact O-CB 3.21Å; E646-H649 PolarHBondContact O-N 3.29Å; E646-H649 VanDerWaalsContact O-N 3.09Å; L647-H649 VanDerWaalsContact C-N 3.3Å; L647-H649 PolarHBondContact O-N 3.23Å; H649-H651 VanDerWaalsContact C-N 3.3Å; H649-H651 PolarHBondContact O-N 2.79Å; H649-S652 VanDerWaalsContact O-CB 3.22Å; H649-S652 WeakPolarHBondContact O-CB 3.46Å; H649-S652 PolarHBondContact O-N 3.26Å; H649-S652 VanDerWaalsContact O-N 3.14Å; H649-S652 PolarHBondContact O-OG 3.02Å
650	I	91.7	Very high	90.7	Very high	75 Å²	75	67.8 Å²	67.8	39%	0.385	33%	0.331	S	S	.	.	H	α-helix	trans	-61.7	-38.9	178.7	-69.4	174.3	0	0	0	112	E646 L647 P884 L887	E646-I650 WeakPolarHBondContact O-CG1 3.47Å; E646-I650 PolarHBondContact O-N 3.25Å; L647-I650 PolarHBondContact O-N 3.13Å; I650-P884 HydrophobicContact CD1-CG 3.42Å; I650-P884 VanDerWaalsContact CD1-CG 3.42Å; I650-L887 HydrophobicContact CD1-CD1 3.8Å
651	H	92.6	Very high	91.1	Very high	6 Å²	6	67.2 Å²	67.2	3%	0.028	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	3.8	179	-65.6	-81.4	0	0	0	113.7	L647 R648 H649 K653 K654 S685 Y761 L882	L647-H651 PolarHBondContact O-CD2 3.36Å; L647-H651 PolarHBondContact O-N 3.47Å; R648-H651 CarbonylContact O-C 3.55Å; R648-H651 PolarHBondContact O-N 2.83Å; H649-H651 VanDerWaalsContact C-N 3.3Å; H649-H651 PolarHBondContact O-N 2.79Å; H651-K653 PolarHBondContact O-N 3.22Å; H651-K654 PolarHBondContact CE1-NZ 2.8Å; H651-K654 WeakPolarHBondContact ND1-CD 3.35Å; H651-K654 PolarHBondContact ND1-NZ 3.26Å; H651-K654 WeakPolarHBondContact O-CB 3.37Å; H651-K654 PolarHBondContact O-N 3.02Å; H651-S685 PolarHBondContact ND1-OG 2.73Å; H651-Y761 HydrophobicContact CB-CD2 4.35Å; H651-Y761 HydrophobicContact CB-CE2 3.59Å; H651-Y761 AromaticContact CD2-CD2 3.59Å; H651-Y761 AromaticContact CD2-CE2 3.74Å; H651-Y761 AromaticContact CG-CD2 3.96Å; H651-Y761 AromaticContact CG-CE2 3.66Å; H651-L882 PolarHBondContact CE1-O 3.3Å; H651-L882 PolarHBondContact NE2-O 3.15Å
652	S	89.3	Confident	91.5	Very high	79 Å²	79	70.2 Å²	70.2	55%	0.552	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-32	-175.6	62.1	0	0	0	0	114	R648 H649 K654	R648-S652 PolarHBondContact O-N 3.28Å; H649-S652 VanDerWaalsContact O-CB 3.22Å; H649-S652 WeakPolarHBondContact O-CB 3.46Å; H649-S652 PolarHBondContact O-N 3.26Å; H649-S652 VanDerWaalsContact O-N 3.14Å; H649-S652 PolarHBondContact O-OG 3.02Å; S652-K654 VanDerWaalsContact C-N 3.32Å
653	K	87.4	Confident	92	Very high	197 Å²	197	69 Å²	69	86%	0.857	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-7	178.1	-62.2	-175.9	-178.4	179.4	0	113.5	H651	H651-K653 PolarHBondContact O-N 3.22Å
654	K	87.1	Confident	92.2	Very high	54 Å²	54	70 Å²	70	24%	0.235	34%	0.338	C	S	.	.	S	Bend	trans	-96.7	119	-178.4	-61.9	179.7	-173.6	171	0	109.5	H651 S652 R656 S685	H651-K654 PolarHBondContact CE1-NZ 2.8Å; H651-K654 WeakPolarHBondContact ND1-CD 3.35Å; H651-K654 PolarHBondContact ND1-NZ 3.26Å; H651-K654 WeakPolarHBondContact O-CB 3.37Å; H651-K654 PolarHBondContact O-N 3.02Å; S652-K654 VanDerWaalsContact C-N 3.32Å; K654-R656 PolarHBondContact O-N 2.89Å; K654-S685 VanDerWaalsContact CD-OG 3.28Å; K654-S685 WeakPolarHBondContact CD-OG 3.43Å
655	P	81.7	Confident	92.2	Very high	81 Å²	81	72 Å²	72	53%	0.526	34%	0.343	S	S	.	.			trans	-70.8	125.7	-176.2	29.1	-34.3	0	0	0	110.6	T657	P655-T657 HydrophobicContact CB-CG2 4.27Å; P655-T657 PolarHBondContact O-N 3.25Å
656	R	87.7	Confident	92.2	Very high	75 Å²	75	73.9 Å²	73.9	28%	0.283	36%	0.358	S	S	.	.			trans	-78.3	52.9	177.5	-167.2	175.6	166.1	78.2	-6.5	111.8	K654 N687 E762	K654-R656 PolarHBondContact O-N 2.89Å; R656-N687 HydrophobicContact CG-CB 4.13Å; R656-E762 IonicContact CZ-OE1 2.56Å; R656-E762 IonicContact CZ-OE2 3.08Å; R656-E762 IonicContact NH1-OE1 3.75Å; R656-E762 PolarHBondContact NH1-OE1 3.06Å; R656-E762 IonicContact NH1-OE2 3.33Å; R656-E762 PolarHBondContact NH1-OE2 3.44Å; R656-E762 IonicContact NH2-OE1 2.91Å; R656-E762 IonicContact NH2-OE2 3.32Å; R656-E762 PolarHBondContact NH2-OE2 3.03Å
657	T	92.8	Very high	92.3	Very high	68 Å²	68	73 Å²	73	42%	0.417	36%	0.358	S	S	.	.			trans	-65.5	160.7	173.6	49.9	0	0	0	0	110.6	P655 K686 N687	P655-T657 HydrophobicContact CB-CG2 4.27Å; P655-T657 PolarHBondContact O-N 3.25Å; T657-K686 WeakPolarHBondContact O-CA 3.2Å; T657-K686 WeakPolarHBondContact O-CB 3.46Å; T657-K686 WeakPolarHBondContact OG1-CD 3.46Å; T657-K686 VanDerWaalsContact OG1-CE 3.28Å; T657-K686 WeakPolarHBondContact OG1-CE 3.44Å; T657-N687 PolarHBondContact O-N 3.2Å
658	K	93	Very high	92.4	Very high	131 Å²	131	73.9 Å²	73.9	57%	0.57	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	147.3	178	-66	165.7	166.7	-132.7	0	110.5	E689	K658-E689 HydrophobicContact CB-CG 4.49Å; K658-E689 WeakPolarHBondContact CD-OE1 3.44Å; K658-E689 WeakPolarHBondContact CE-OE1 3.33Å; K658-E689 WeakPolarHBondContact CG-OE1 3.1Å; K658-E689 IonicContact NZ-OE1 2.6Å; K658-E689 PolarHBondContact NZ-OE1 3.19Å
659	T	94.6	Very high	92.4	Very high	23 Å²	23	70.7 Å²	70.7	14%	0.141	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	123	173.1	-98.5	0	0	0	0	109.6	L661 F679 K686 N687 F688 E689	T659-L661 HydrophobicContact CG2-CD1 3.58Å; T659-L661 WeakPolarHBondContact O-CD1 3.24Å; T659-F679 HydrophobicContact CG2-CE2 3.94Å; T659-F679 HydrophobicContact CG2-CZ 3.55Å; T659-K686 WeakPolarHBondContact OG1-CD 3.41Å; T659-N687 PolarHBondContact N-O 3Å; T659-F688 HydrophobicContact CG2-CD1 4.34Å; T659-F688 HydrophobicContact CG2-CE1 4.5Å; T659-E689 PolarHBondContact O-N 2.84Å
660	C	94.1	Very high	92.5	Very high	68 Å²	68	71.4 Å²	71.4	46%	0.459	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	127.1	-176.2	-175.7	0	0	0	0	110.5	E689	C660-E689 CarbonylContact C-O 3.54Å; C660-E689 WeakPolarHBondContact CA-O 3.45Å
661	L	95.8	Very high	92.7	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	108.5	174.7	-77.6	71.7	0	0	0	108.7	T659 I663 V675 T676 F679 F688 E689 V690 V691 W707	T659-L661 HydrophobicContact CG2-CD1 3.58Å; T659-L661 WeakPolarHBondContact O-CD1 3.24Å; L661-I663 HydrophobicContact CB-CD1 4.17Å; L661-I663 HydrophobicContact CB-CG1 4.11Å; L661-I663 PolarHBondContact O-N 2.9Å; L661-V675 HydrophobicContact CB-CG1 4.27Å; L661-V675 HydrophobicContact CG-CG1 3.93Å; L661-T676 HydrophobicContact CD2-CG2 4.43Å; L661-F679 HydrophobicContact CD1-CZ 4.38Å; L661-F688 HydrophobicContact CD1-CB 3.96Å; L661-F688 HydrophobicContact CD1-CD1 3.91Å; L661-F688 HydrophobicContact CD1-CD2 4.11Å; L661-F688 HydrophobicContact CD1-CE1 4.44Å; L661-F688 HydrophobicContact CD1-CG 3.73Å; L661-F688 HydrophobicContact CD2-CD2 3.63Å; L661-F688 HydrophobicContact CD2-CE2 3.9Å; L661-F688 HydrophobicContact CD2-CG 4.13Å; L661-E689 PolarHBondContact N-O 2.87Å; L661-V690 HydrophobicContact CB-CG2 4.43Å; L661-V691 PolarHBondContact O-N 2.97Å; L661-W707 HydrophobicContact CD2-CZ2 4.27Å
662	K	95.6	Very high	92.9	Very high	138 Å²	138	68.1 Å²	68.1	60%	0.6	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	106.9	173.7	-63.8	-173.3	-179.9	-174.4	0	109.4	V675 V691	K662-V675 WeakPolarHBondContact O-CG2 3.27Å; K662-V691 WeakPolarHBondContact CA-O 3.36Å
663	I	97.4	Very high	93.2	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	141.7	-171.2	-58.6	-57	0	0	0	110.1	L661 I668 V675 V690 V691 F692 Q693	L661-I663 HydrophobicContact CB-CD1 4.17Å; L661-I663 HydrophobicContact CB-CG1 4.11Å; L661-I663 PolarHBondContact O-N 2.9Å; I663-I668 HydrophobicContact CG2-CD1 4.49Å; I663-I668 HydrophobicContact CG2-CG1 3.88Å; I663-V675 HydrophobicContact CD1-CG2 4.44Å; I663-V690 HydrophobicContact CB-CG1 4.29Å; I663-V690 HydrophobicContact CG1-CG1 3.89Å; I663-V691 PolarHBondContact N-O 3.16Å; I663-F692 HydrophobicContact CB-CD1 4.21Å; I663-F692 HydrophobicContact CB-CE1 4.29Å; I663-F692 HydrophobicContact CG2-CD1 4.05Å; I663-F692 HydrophobicContact CG2-CE1 3.81Å; I663-F692 CarbonylContact O-C 3.3Å; I663-F692 WeakPolarHBondContact O-CA 3.42Å; I663-Q693 PolarHBondContact O-N 2.91Å
664	T	96.4	Very high	93.6	Very high	21 Å²	21	65.2 Å²	65.2	13%	0.129	32%	0.321	C	S	.	.			trans	-105.3	115.6	176.5	-51.5	0	0	0	0	108.5	H666 A667 I668 S671 Q693	T664-H666 WeakPolarHBondContact CG2-CE1 3.33Å; T664-H666 WeakPolarHBondContact CG2-ND1 3.3Å; T664-H666 VanDerWaalsContact CG2-NE2 3.25Å; T664-H666 WeakPolarHBondContact CG2-NE2 3.48Å; T664-H666 PolarHBondContact O-N 2.73Å; T664-A667 CarbonylContact O-C 3.53Å; T664-A667 PolarHBondContact O-N 2.96Å; T664-I668 WeakPolarHBondContact O-CA 3.28Å; T664-I668 PolarHBondContact O-N 3.18Å; T664-I668 VanDerWaalsContact O-N 3.11Å; T664-S671 PolarHBondContact N-OG 2.97Å; T664-S671 PolarHBondContact O-OG 3.37Å; T664-Q693 VanDerWaalsContact OG1-CD 3.23Å; T664-Q693 PolarHBondContact OG1-OE1 3.15Å
665	R	93.2	Very high	94	Very high	85 Å²	85	64.9 Å²	64.9	32%	0.321	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-56.8	-44.2	-170.3	-175.9	177.7	-70.4	-87.7	0.5	113.6	A667 F692 E695 E706	R665-A667 PolarHBondContact O-N 3.46Å; R665-F692 HydrophobicContact CB-CD1 4.18Å; R665-E695 IonicContact CZ-OE1 2.72Å; R665-E695 IonicContact CZ-OE2 3.7Å; R665-E695 IonicContact NE-OE1 3.14Å; R665-E695 PolarHBondContact NE-OE1 3.21Å; R665-E695 IonicContact NE-OE2 2.64Å; R665-E695 PolarHBondContact NE-OE2 3Å; R665-E695 IonicContact NH2-OE1 2.71Å; R665-E695 IonicContact NH2-OE2 3.44Å; R665-E695 PolarHBondContact NH2-OE2 2.78Å; R665-E706 IonicContact CZ-OE1 2.84Å; R665-E706 IonicContact CZ-OE2 3.22Å; R665-E706 VanDerWaalsContact NH1-CD 3.33Å; R665-E706 IonicContact NH1-OE1 2.68Å; R665-E706 PolarHBondContact NH1-OE1 3.14Å; R665-E706 IonicContact NH1-OE2 3.27Å; R665-E706 VanDerWaalsContact NH2-CD 3.32Å; R665-E706 IonicContact NH2-OE1 3.92Å; R665-E706 PolarHBondContact NH2-OE1 3.4Å; R665-E706 IonicContact NH2-OE2 2.88Å; R665-E706 PolarHBondContact NH2-OE2 2.9Å
666	H	93.2	Very high	94.7	Very high	174 Å²	174	61.4 Å²	61.4	81%	0.806	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-70.3	-17.8	-180	59	-99.7	0	0	0	114	T664	T664-H666 WeakPolarHBondContact CG2-CE1 3.33Å; T664-H666 WeakPolarHBondContact CG2-ND1 3.3Å; T664-H666 VanDerWaalsContact CG2-NE2 3.25Å; T664-H666 WeakPolarHBondContact CG2-NE2 3.48Å; T664-H666 PolarHBondContact O-N 2.73Å
667	A	93.8	Very high	94.9	Very high	30 Å²	30	67.7 Å²	67.7	25%	0.248	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-127.8	45.7	178.9	0	0	0	0	0	110.2	T664 R665 L669 E670 S671	T664-A667 CarbonylContact O-C 3.53Å; T664-A667 PolarHBondContact O-N 2.96Å; R665-A667 PolarHBondContact O-N 3.46Å; A667-L669 VanDerWaalsContact C-N 3.34Å; A667-L669 PolarHBondContact O-N 2.86Å; A667-E670 PolarHBondContact O-N 2.84Å; A667-S671 WeakPolarHBondContact O-CB 3.46Å; A667-S671 PolarHBondContact O-N 3.34Å; A667-S671 PolarHBondContact O-OG 2.96Å
668	I	95.9	Very high	94.9	Very high	19 Å²	19	71.3 Å²	71.3	10%	0.097	34%	0.341	C	S	.	.	H	α-helix	trans	-59.7	-42.3	-168.3	-169.3	166.5	0	0	0	113	I663 T664 S671 S672 F692 L710 I711 A714	I663-I668 HydrophobicContact CG2-CD1 4.49Å; I663-I668 HydrophobicContact CG2-CG1 3.88Å; T664-I668 WeakPolarHBondContact O-CA 3.28Å; T664-I668 PolarHBondContact O-N 3.18Å; T664-I668 VanDerWaalsContact O-N 3.11Å; I668-S671 PolarHBondContact O-OG 3.25Å; I668-S672 WeakPolarHBondContact O-CB 3.46Å; I668-S672 PolarHBondContact O-N 2.71Å; I668-S672 PolarHBondContact O-OG 3.13Å; I668-F692 HydrophobicContact CD1-CE1 4.35Å; I668-L710 HydrophobicContact CD1-CB 3.24Å; I668-L710 HydrophobicContact CD1-CD1 3.91Å; I668-L710 HydrophobicContact CD1-CG 4.24Å; I668-I711 HydrophobicContact CG1-CD1 4.47Å; I668-A714 HydrophobicContact CG2-CB 3.94Å
669	L	94.5	Very high	95	Very high	31 Å²	31	67.2 Å²	67.2	16%	0.162	32%	0.323	C	S	.	.	H	α-helix	trans	-66.7	-49.5	-179.4	179.6	57	0	0	0	111.6	A667 S672 L673 I711 A714 L715 M748 F751	A667-L669 VanDerWaalsContact C-N 3.34Å; A667-L669 PolarHBondContact O-N 2.86Å; L669-S672 PolarHBondContact O-N 2.95Å; L669-L673 HydrophobicContact CD1-CD1 4.05Å; L669-L673 HydrophobicContact CD1-CG 4.38Å; L669-L673 HydrophobicContact CG-CD1 4.15Å; L669-L673 WeakPolarHBondContact O-CB 3.19Å; L669-L673 WeakPolarHBondContact O-CG 3.34Å; L669-L673 PolarHBondContact O-N 3.22Å; L669-I711 HydrophobicContact CB-CD1 4.38Å; L669-I711 HydrophobicContact CD1-CD1 3.87Å; L669-A714 HydrophobicContact CB-CB 4.37Å; L669-L715 HydrophobicContact CD1-CD2 3.51Å; L669-L715 HydrophobicContact CD1-CG 4.09Å; L669-M748 HydrophobicContact CD2-CE 3.74Å; L669-M748 HydrophobicContact CG-CE 4.33Å; L669-F751 HydrophobicContact CD1-CD1 4.49Å; L669-F751 HydrophobicContact CD1-CE1 4.14Å
670	E	94.2	Very high	95	Very high	144 Å²	144	68.7 Å²	68.7	67%	0.673	33%	0.334	S	S	*	.	H	α-helix	trans	-65.1	-47.3	-179.3	-173	-177.5	172.6	0	0	111.9	A667 S672 L673 K674	A667-E670 PolarHBondContact O-N 2.84Å; E670-S672 PolarHBondContact O-N 2.81Å; E670-L673 PolarHBondContact O-N 3.45Å; E670-K674 WeakPolarHBondContact O-CB 3.46Å; E670-K674 PolarHBondContact O-N 3.34Å
671	S	96.6	Very high	94.8	Very high	12 Å²	12	68 Å²	68	8%	0.084	33%	0.328	C	S	.	.	H	α-helix	trans	-64	-39.3	178.5	59.2	0	0	0	0	112	T664 A667 I668 K674 V675	T664-S671 PolarHBondContact N-OG 2.97Å; T664-S671 PolarHBondContact O-OG 3.37Å; A667-S671 WeakPolarHBondContact O-CB 3.46Å; A667-S671 PolarHBondContact O-N 3.34Å; A667-S671 PolarHBondContact O-OG 2.96Å; I668-S671 PolarHBondContact O-OG 3.25Å; S671-K674 PolarHBondContact O-N 2.97Å; S671-V675 WeakPolarHBondContact O-CG2 3.47Å; S671-V675 PolarHBondContact O-N 3.28Å
672	S	97.2	Very high	94.6	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-64.8	-45	175.3	-60.1	0	0	0	0	112.2	I668 L669 E670 K674 V675 T676 W707	I668-S672 WeakPolarHBondContact O-CB 3.46Å; I668-S672 PolarHBondContact O-N 2.71Å; I668-S672 PolarHBondContact O-OG 3.13Å; L669-S672 PolarHBondContact O-N 2.95Å; E670-S672 PolarHBondContact O-N 2.81Å; S672-K674 VanDerWaalsContact C-N 3.32Å; S672-K674 PolarHBondContact O-N 3.49Å; S672-V675 PolarHBondContact O-N 3.39Å; S672-T676 WeakPolarHBondContact O-CB 3.06Å; S672-T676 WeakPolarHBondContact O-CG2 3.37Å; S672-T676 PolarHBondContact O-N 2.8Å; S672-T676 PolarHBondContact O-OG1 2.74Å; S672-W707 PolarHBondContact OG-NE1 3.46Å
673	L	94.9	Very high	94.6	Very high	49 Å²	49	65.2 Å²	65.2	26%	0.257	32%	0.323	S	S	.	.	H	α-helix	trans	-60	-42.9	174.6	-79.9	167.4	0	0	0	111.5	L669 E670 R677 M748 F751	L669-L673 HydrophobicContact CD1-CD1 4.05Å; L669-L673 HydrophobicContact CD1-CG 4.38Å; L669-L673 HydrophobicContact CG-CD1 4.15Å; L669-L673 WeakPolarHBondContact O-CB 3.19Å; L669-L673 WeakPolarHBondContact O-CG 3.34Å; L669-L673 PolarHBondContact O-N 3.22Å; E670-L673 PolarHBondContact O-N 3.45Å; L673-R677 WeakPolarHBondContact O-CA 3.42Å; L673-R677 WeakPolarHBondContact O-CB 3.2Å; L673-R677 PolarHBondContact O-N 2.68Å; L673-M748 HydrophobicContact CD1-CE 4.31Å; L673-F751 HydrophobicContact CD2-CB 3.63Å; L673-F751 HydrophobicContact CD2-CD1 3.54Å; L673-F751 HydrophobicContact CD2-CD2 3.78Å; L673-F751 HydrophobicContact CD2-CE1 4.11Å; L673-F751 HydrophobicContact CD2-CE2 4.31Å; L673-F751 HydrophobicContact CD2-CG 3.35Å; L673-F751 HydrophobicContact CD2-CZ 4.46Å; L673-F751 HydrophobicContact CG-CD1 4.07Å; L673-F751 HydrophobicContact CG-CE1 4.19Å; L673-F751 HydrophobicContact CG-CG 4.31Å
674	K	95.2	Very high	94.5	Very high	167 Å²	167	65.4 Å²	65.4	73%	0.726	32%	0.324	S	S	*	.	H	α-helix	trans	-63	-47	179.6	-176.5	178.9	179.1	179	0	112.1	E670 S671 S672	E670-K674 WeakPolarHBondContact O-CB 3.46Å; E670-K674 PolarHBondContact O-N 3.34Å; S671-K674 PolarHBondContact O-N 2.97Å; S672-K674 VanDerWaalsContact C-N 3.32Å; S672-K674 PolarHBondContact O-N 3.49Å
675	V	96	Very high	94.3	Very high	46 Å²	46	64.4 Å²	64.4	28%	0.279	32%	0.317	S	S	.	.	H	α-helix	trans	-68	-38.4	-178.6	171.2	0	0	0	0	111.6	L661 K662 I663 S671 S672 F679	L661-V675 HydrophobicContact CB-CG1 4.27Å; L661-V675 HydrophobicContact CG-CG1 3.93Å; K662-V675 WeakPolarHBondContact O-CG2 3.27Å; I663-V675 HydrophobicContact CD1-CG2 4.44Å; S671-V675 WeakPolarHBondContact O-CG2 3.47Å; S671-V675 PolarHBondContact O-N 3.28Å; S672-V675 PolarHBondContact O-N 3.39Å; V675-F679 WeakPolarHBondContact O-CE1 3.07Å
676	T	96.3	Very high	94.4	Very high	8 Å²	8	62.4 Å²	62.4	5%	0.049	31%	0.311	C	S	.	.	H	α-helix	trans	-90.2	-3.5	-176.5	60.4	0	0	0	0	114.1	L661 S672 N678 F679 W684 F751	L661-T676 HydrophobicContact CD2-CG2 4.43Å; S672-T676 WeakPolarHBondContact O-CB 3.06Å; S672-T676 WeakPolarHBondContact O-CG2 3.37Å; S672-T676 PolarHBondContact O-N 2.8Å; S672-T676 PolarHBondContact O-OG1 2.74Å; T676-N678 PolarHBondContact O-N 2.73Å; T676-N678 VanDerWaalsContact O-N 3.08Å; T676-F679 HydrophobicContact CG2-CD2 4.12Å; T676-F679 HydrophobicContact CG2-CE2 3.98Å; T676-F679 HydrophobicContact CG2-CZ 4.33Å; T676-F679 WeakPolarHBondContact O-CB 3.22Å; T676-F679 PolarHBondContact O-N 2.78Å; T676-W684 HydrophobicContact CG2-CH2 4.31Å; T676-W684 HydrophobicContact CG2-CZ2 4.14Å; T676-F751 HydrophobicContact CG2-CE2 4.39Å; T676-F751 VanDerWaalsContact OG1-CE2 3.22Å; T676-F751 WeakPolarHBondContact OG1-CE2 3.34Å
677	R	92.4	Very high	94.5	Very high	208 Å²	208	55.4 Å²	55.4	79%	0.785	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-37.1	-174.6	-177.7	177.1	172.5	178.1	-1.9	114.4	L673	L673-R677 WeakPolarHBondContact O-CA 3.42Å; L673-R677 WeakPolarHBondContact O-CB 3.2Å; L673-R677 PolarHBondContact O-N 2.68Å
678	N	92.6	Very high	94.5	Very high	144 Å²	144	54 Å²	54	77%	0.77	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	11.8	-175.6	-63	-20.6	0	0	0	112.8	T676 S680	T676-N678 PolarHBondContact O-N 2.73Å; T676-N678 VanDerWaalsContact O-N 3.08Å; N678-S680 PolarHBondContact O-N 2.84Å
679	F	95.9	Very high	94.5	Very high	44 Å²	44	54.3 Å²	54.3	19%	0.193	27%	0.269	C	S	.	.			trans	-68.8	130.8	178.8	-82.4	23.1	0	0	0	110.1	T659 L661 V675 T676 D683 W684 F688	T659-F679 HydrophobicContact CG2-CE2 3.94Å; T659-F679 HydrophobicContact CG2-CZ 3.55Å; L661-F679 HydrophobicContact CD1-CZ 4.38Å; V675-F679 WeakPolarHBondContact O-CE1 3.07Å; T676-F679 HydrophobicContact CG2-CD2 4.12Å; T676-F679 HydrophobicContact CG2-CE2 3.98Å; T676-F679 HydrophobicContact CG2-CZ 4.33Å; T676-F679 WeakPolarHBondContact O-CB 3.22Å; T676-F679 PolarHBondContact O-N 2.78Å; F679-D683 HydrophobicContact CB-CB 3.81Å; F679-D683 HydrophobicContact CD1-CB 4.28Å; F679-D683 HydrophobicContact CD2-CB 3.81Å; F679-D683 HydrophobicContact CE2-CB 4.45Å; F679-D683 HydrophobicContact CG-CB 3.71Å; F679-W684 HydrophobicContact CD2-CG 4.46Å; F679-F688 HydrophobicContact CD2-CE1 4.48Å; F679-F688 HydrophobicContact CD2-CZ 4.29Å; F679-F688 AromaticContact CE2-CE1 3.83Å; F679-F688 HydrophobicContact CE2-CE1 3.83Å; F679-F688 AromaticContact CE2-CZ 3.83Å; F679-F688 HydrophobicContact CE2-CZ 3.83Å
680	S	93.6	Very high	94.5	Very high	55 Å²	55	52.9 Å²	52.9	39%	0.385	26%	0.261	S	S	.	.			trans	-73.5	165.5	163.4	70.5	0	0	0	0	110.6	N678 S682 D683 W684	N678-S680 PolarHBondContact O-N 2.84Å; S680-S682 PolarHBondContact O-N 2.8Å; S680-S682 VanDerWaalsContact O-N 3.1Å; S680-S682 PolarHBondContact OG-N 2.95Å; S680-D683 WeakPolarHBondContact CB-OD2 3.16Å; S680-D683 PolarHBondContact N-OD2 2.96Å; S680-D683 WeakPolarHBondContact O-CB 3.27Å; S680-D683 PolarHBondContact O-N 2.85Å; S680-D683 VanDerWaalsContact OG-CG 3.31Å; S680-D683 PolarHBondContact OG-N 3.12Å; S680-D683 PolarHBondContact OG-OD2 2.9Å; S680-W684 PolarHBondContact O-N 2.85Å
681	V	90.1	Very high	94.6	Very high	53 Å²	53	48.3 Å²	48.3	32%	0.321	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-30	171.7	-179.6	0	0	0	0	112.1	E881	V681-E881 HydrophobicContact CG1-CB 4.17Å; V681-E881 WeakPolarHBondContact CG1-O 3.2Å; V681-E881 HydrophobicContact CG2-CB 4.02Å; V681-E881 HydrophobicContact CG2-CG 3.92Å
682	S	91.6	Very high	94.5	Very high	44 Å²	44	48.1 Å²	48.1	31%	0.308	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-35.9	176.2	-166.5	0	0	0	0	112.5	S680 W684 S685 K686	S680-S682 PolarHBondContact O-N 2.8Å; S680-S682 VanDerWaalsContact O-N 3.1Å; S680-S682 PolarHBondContact OG-N 2.95Å; S682-W684 VanDerWaalsContact C-N 3.28Å; S682-W684 PolarHBondContact O-N 3.03Å; S682-S685 WeakPolarHBondContact O-CB 3.33Å; S682-S685 PolarHBondContact O-N 2.95Å; S682-K686 PolarHBondContact O-N 3.11Å
683	D	94.8	Very high	94.3	Very high	35 Å²	35	52.4 Å²	52.4	19%	0.187	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-64.9	-35	176.7	-62.3	-53.7	0	0	0	111.5	F679 S680 S685 K686	F679-D683 HydrophobicContact CB-CB 3.81Å; F679-D683 HydrophobicContact CD1-CB 4.28Å; F679-D683 HydrophobicContact CD2-CB 3.81Å; F679-D683 HydrophobicContact CE2-CB 4.45Å; F679-D683 HydrophobicContact CG-CB 3.71Å; S680-D683 WeakPolarHBondContact CB-OD2 3.16Å; S680-D683 PolarHBondContact N-OD2 2.96Å; S680-D683 WeakPolarHBondContact O-CB 3.27Å; S680-D683 PolarHBondContact O-N 2.85Å; S680-D683 VanDerWaalsContact OG-CG 3.31Å; S680-D683 PolarHBondContact OG-N 3.12Å; S680-D683 PolarHBondContact OG-OD2 2.9Å; D683-S685 PolarHBondContact O-N 2.92Å; D683-K686 VanDerWaalsContact O-CB 3.23Å; D683-K686 WeakPolarHBondContact O-CB 3.16Å; D683-K686 PolarHBondContact O-N 2.95Å; D683-K686 VanDerWaalsContact OD1-CE 3.23Å; D683-K686 WeakPolarHBondContact OD1-CE 3.29Å; D683-K686 IonicContact OD1-NZ 3.15Å; D683-K686 PolarHBondContact OD1-NZ 3.18Å
684	W	95.3	Very high	94.1	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.015	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-65.3	-20.4	172.4	-76.7	93.9	0	0	0	113.5	T676 F679 S680 S682 F688 F751 R754 V755 K758 L882	T676-W684 HydrophobicContact CG2-CH2 4.31Å; T676-W684 HydrophobicContact CG2-CZ2 4.14Å; F679-W684 HydrophobicContact CD2-CG 4.46Å; S680-W684 PolarHBondContact O-N 2.85Å; S682-W684 VanDerWaalsContact C-N 3.28Å; S682-W684 PolarHBondContact O-N 3.03Å; W684-F688 HydrophobicContact CD2-CZ 4.46Å; W684-F688 HydrophobicContact CE3-CE2 4.41Å; W684-F688 AromaticContact CE3-CZ 3.99Å; W684-F688 HydrophobicContact CE3-CZ 3.99Å; W684-F688 HydrophobicContact CZ3-CE2 4.39Å; W684-F688 HydrophobicContact CZ3-CZ 4.36Å; W684-F751 AromaticContact CH2-CD2 3.85Å; W684-F751 HydrophobicContact CH2-CD2 3.85Å; W684-F751 AromaticContact CH2-CE2 3.61Å; W684-F751 HydrophobicContact CH2-CE2 3.61Å; W684-F751 HydrophobicContact CZ2-CD2 4.01Å; W684-F751 HydrophobicContact CZ2-CE2 4.04Å; W684-R754 HydrophobicContact CD2-CB 4.16Å; W684-R754 VanDerWaalsContact CE2-CD 3.44Å; W684-R754 HydrophobicContact CE3-CB 4.04Å; W684-R754 HydrophobicContact CH2-CB 3.69Å; W684-R754 HydrophobicContact CZ2-CB 3.83Å; W684-R754 HydrophobicContact CZ2-CG 4.37Å; W684-R754 HydrophobicContact CZ3-CB 3.8Å; W684-V755 HydrophobicContact CH2-CG2 4.31Å; W684-V755 HydrophobicContact CZ3-CG2 4.42Å; W684-K758 HydrophobicContact CE3-CB 4.13Å; W684-K758 HydrophobicContact CE3-CG 4.42Å; W684-K758 HydrophobicContact CZ3-CB 4.3Å; W684-K758 WeakPolarHBondContact O-CD 3.49Å; W684-K758 VanDerWaalsContact O-CE 3.26Å; W684-K758 WeakPolarHBondContact O-CE 3.44Å; W684-K758 PolarHBondContact O-NZ 3.35Å; W684-L882 HydrophobicContact CB-CD1 4.09Å; W684-L882 HydrophobicContact CB-CD2 4.07Å; W684-L882 HydrophobicContact CB-CG 4.33Å; W684-L882 HydrophobicContact CG-CD1 4.43Å
685	S	94.2	Very high	93.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-83.9	-9.4	172.5	-56.9	0	0	0	0	113.5	H651 K654 S682 D683 Y761	H651-S685 PolarHBondContact ND1-OG 2.73Å; K654-S685 VanDerWaalsContact CD-OG 3.28Å; K654-S685 WeakPolarHBondContact CD-OG 3.43Å; S682-S685 WeakPolarHBondContact O-CB 3.33Å; S682-S685 PolarHBondContact O-N 2.95Å; D683-S685 PolarHBondContact O-N 2.92Å; S685-Y761 WeakPolarHBondContact O-CE1 3.45Å; S685-Y761 PolarHBondContact O-OH 3Å
686	K	94.9	Very high	93.1	Very high	43 Å²	43	61.9 Å²	61.9	19%	0.187	31%	0.309	C	S	.	.	S	Bend	trans	-70.2	160	178.4	-69.2	-178.3	179.8	166.5	0	112.6	T657 T659 S682 D683 F688 K758	T657-K686 WeakPolarHBondContact O-CA 3.2Å; T657-K686 WeakPolarHBondContact O-CB 3.46Å; T657-K686 WeakPolarHBondContact OG1-CD 3.46Å; T657-K686 VanDerWaalsContact OG1-CE 3.28Å; T657-K686 WeakPolarHBondContact OG1-CE 3.44Å; T659-K686 WeakPolarHBondContact OG1-CD 3.41Å; S682-K686 PolarHBondContact O-N 3.11Å; D683-K686 VanDerWaalsContact O-CB 3.23Å; D683-K686 WeakPolarHBondContact O-CB 3.16Å; D683-K686 PolarHBondContact O-N 2.95Å; D683-K686 VanDerWaalsContact OD1-CE 3.23Å; D683-K686 WeakPolarHBondContact OD1-CE 3.29Å; D683-K686 IonicContact OD1-NZ 3.15Å; D683-K686 PolarHBondContact OD1-NZ 3.18Å; K686-F688 WeakPolarHBondContact O-CD1 3.43Å; K686-F688 PolarHBondContact O-N 2.81Å; K686-K758 PolarHBondContact O-NZ 2.84Å
687	N	94	Very high	92.3	Very high	27 Å²	27	64.4 Å²	64.4	14%	0.144	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	117.3	174.3	-171.2	13.6	0	0	0	110.2	R656 T657 T659 E689 R704	R656-N687 HydrophobicContact CG-CB 4.13Å; T657-N687 PolarHBondContact O-N 3.2Å; T659-N687 PolarHBondContact N-O 3Å; N687-E689 PolarHBondContact O-N 2.82Å; N687-R704 PolarHBondContact OD1-NE 2.76Å; N687-R704 PolarHBondContact OD1-NH2 3.08Å
688	F	95.5	Very high	91.3	Very high	1 Å²	1	63.6 Å²	63.6	0%	0.004	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	122.1	-177.7	-72.6	6.5	0	0	0	110.6	T659 L661 F679 W684 K686 R704 W707 K758	T659-F688 HydrophobicContact CG2-CD1 4.34Å; T659-F688 HydrophobicContact CG2-CE1 4.5Å; L661-F688 HydrophobicContact CD1-CB 3.96Å; L661-F688 HydrophobicContact CD1-CD1 3.91Å; L661-F688 HydrophobicContact CD1-CD2 4.11Å; L661-F688 HydrophobicContact CD1-CE1 4.44Å; L661-F688 HydrophobicContact CD1-CG 3.73Å; L661-F688 HydrophobicContact CD2-CD2 3.63Å; L661-F688 HydrophobicContact CD2-CE2 3.9Å; L661-F688 HydrophobicContact CD2-CG 4.13Å; F679-F688 HydrophobicContact CD2-CE1 4.48Å; F679-F688 HydrophobicContact CD2-CZ 4.29Å; F679-F688 AromaticContact CE2-CE1 3.83Å; F679-F688 HydrophobicContact CE2-CE1 3.83Å; F679-F688 AromaticContact CE2-CZ 3.83Å; F679-F688 HydrophobicContact CE2-CZ 3.83Å; W684-F688 HydrophobicContact CD2-CZ 4.46Å; W684-F688 HydrophobicContact CE3-CE2 4.41Å; W684-F688 AromaticContact CE3-CZ 3.99Å; W684-F688 HydrophobicContact CE3-CZ 3.99Å; W684-F688 HydrophobicContact CZ3-CE2 4.39Å; W684-F688 HydrophobicContact CZ3-CZ 4.36Å; K686-F688 WeakPolarHBondContact O-CD1 3.43Å; K686-F688 PolarHBondContact O-N 2.81Å; F688-R704 VanDerWaalsContact O-CZ 3.27Å; F688-R704 PolarHBondContact O-NE 2.75Å; F688-R704 PolarHBondContact O-NH2 2.96Å; F688-W707 HydrophobicContact CD2-CH2 4.18Å; F688-W707 AromaticContact CD2-CZ3 3.93Å; F688-W707 HydrophobicContact CD2-CZ3 3.93Å; F688-W707 AromaticContact CE2-CH2 3.98Å; F688-W707 HydrophobicContact CE2-CH2 3.98Å; F688-W707 HydrophobicContact CE2-CZ3 4.11Å; F688-K758 HydrophobicContact CE2-CG 4.47Å
689	E	94.1	Very high	90.7	Very high	25 Å²	25	60.5 Å²	60.5	12%	0.117	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	95	170.4	-70.7	-176.2	159.2	0	0	107.6	K658 T659 C660 L661 N687 W700	K658-E689 HydrophobicContact CB-CG 4.49Å; K658-E689 WeakPolarHBondContact CD-OE1 3.44Å; K658-E689 WeakPolarHBondContact CE-OE1 3.33Å; K658-E689 WeakPolarHBondContact CG-OE1 3.1Å; K658-E689 IonicContact NZ-OE1 2.6Å; K658-E689 PolarHBondContact NZ-OE1 3.19Å; T659-E689 PolarHBondContact O-N 2.84Å; C660-E689 CarbonylContact C-O 3.54Å; C660-E689 WeakPolarHBondContact CA-O 3.45Å; L661-E689 PolarHBondContact N-O 2.87Å; N687-E689 PolarHBondContact O-N 2.82Å; E689-W700 HydrophobicContact CB-CD2 4.21Å; E689-W700 HydrophobicContact CB-CE3 3.81Å; E689-W700 HydrophobicContact CB-CZ3 4.08Å; E689-W700 HydrophobicContact CG-CD2 4.14Å; E689-W700 HydrophobicContact CG-CE3 4.24Å; E689-W700 HydrophobicContact CG-CG 4.32Å
690	V	95.6	Very high	89.9	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.006	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	128.1	-177.5	-176.8	0	0	0	0	109.4	L661 I663 F692 P703 W707	L661-V690 HydrophobicContact CB-CG2 4.43Å; I663-V690 HydrophobicContact CB-CG1 4.29Å; I663-V690 HydrophobicContact CG1-CG1 3.89Å; V690-F692 HydrophobicContact CG1-CD2 4.36Å; V690-F692 HydrophobicContact CG1-CE2 4.12Å; V690-F692 HydrophobicContact CG1-CZ 4.29Å; V690-P703 HydrophobicContact CB-CB 4.27Å; V690-P703 WeakPolarHBondContact O-CB 3.43Å; V690-W707 HydrophobicContact CB-CB 4.39Å; V690-W707 HydrophobicContact CG1-CB 4.02Å; V690-W707 HydrophobicContact CG1-CG 4.22Å; V690-W707 HydrophobicContact CG2-CB 3.89Å; V690-W707 HydrophobicContact CG2-CD2 4.3Å; V690-W707 HydrophobicContact CG2-CG 3.97Å
691	V	95.3	Very high	89.1	Confident	48 Å²	48	62 Å²	62	29%	0.291	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	110	172.5	-179.8	0	0	0	0	107.2	L661 K662 I663 W700	L661-V691 PolarHBondContact O-N 2.97Å; K662-V691 WeakPolarHBondContact CA-O 3.36Å; I663-V691 PolarHBondContact N-O 3.16Å; V691-W700 HydrophobicContact CG2-CH2 3.82Å; V691-W700 HydrophobicContact CG2-CZ3 3.57Å
692	F	95.6	Very high	88.6	Confident	8 Å²	8	60.5 Å²	60.5	4%	0.035	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	130.2	167.6	-71.6	-75.2	0	0	0	108.9	I663 R665 I668 V690 D694 E695 P703 E706 W707 L710	I663-F692 HydrophobicContact CB-CD1 4.21Å; I663-F692 HydrophobicContact CB-CE1 4.29Å; I663-F692 HydrophobicContact CG2-CD1 4.05Å; I663-F692 HydrophobicContact CG2-CE1 3.81Å; I663-F692 CarbonylContact O-C 3.3Å; I663-F692 WeakPolarHBondContact O-CA 3.42Å; R665-F692 HydrophobicContact CB-CD1 4.18Å; I668-F692 HydrophobicContact CD1-CE1 4.35Å; V690-F692 HydrophobicContact CG1-CD2 4.36Å; V690-F692 HydrophobicContact CG1-CE2 4.12Å; V690-F692 HydrophobicContact CG1-CZ 4.29Å; F692-D694 PolarHBondContact O-N 3.19Å; F692-E695 HydrophobicContact CB-CB 3.95Å; F692-E695 HydrophobicContact CB-CG 4.14Å; F692-E695 PolarHBondContact O-N 3.41Å; F692-P703 HydrophobicContact CD2-CB 4.27Å; F692-P703 HydrophobicContact CE2-CB 4.25Å; F692-E706 HydrophobicContact CE2-CB 4.46Å; F692-E706 HydrophobicContact CE2-CG 4.42Å; F692-E706 HydrophobicContact CZ-CG 4.46Å; F692-W707 HydrophobicContact CZ-CB 4.19Å; F692-L710 HydrophobicContact CZ-CD1 4.32Å
693	Q	92.4	Very high	88.5	Confident	91 Å²	91	59 Å²	59	43%	0.425	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	134.4	-179.8	-74.9	179.9	-13.7	0	0	110.5	I663 T664 E695	I663-Q693 PolarHBondContact O-N 2.91Å; T664-Q693 VanDerWaalsContact OG1-CD 3.23Å; T664-Q693 PolarHBondContact OG1-OE1 3.15Å; Q693-E695 PolarHBondContact O-N 2.81Å
694	D	90.4	Very high	88.2	Confident	174 Å²	174	58.3 Å²	58.3	93%	0.93	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	21.1	178.3	-46.6	-45.9	0	0	0	114.7	F692	F692-D694 PolarHBondContact O-N 3.19Å
695	E	89.3	Confident	87.9	Confident	83 Å²	83	64.1 Å²	64.1	39%	0.388	33%	0.326	S	S	.	.			trans	-122.7	131.5	177.9	-65.2	178.8	-140.7	0	0	111.3	R665 F692 Q693	R665-E695 IonicContact CZ-OE1 2.72Å; R665-E695 IonicContact CZ-OE2 3.7Å; R665-E695 IonicContact NE-OE1 3.14Å; R665-E695 PolarHBondContact NE-OE1 3.21Å; R665-E695 IonicContact NE-OE2 2.64Å; R665-E695 PolarHBondContact NE-OE2 3Å; R665-E695 IonicContact NH2-OE1 2.71Å; R665-E695 IonicContact NH2-OE2 3.44Å; R665-E695 PolarHBondContact NH2-OE2 2.78Å; F692-E695 HydrophobicContact CB-CB 3.95Å; F692-E695 HydrophobicContact CB-CG 4.14Å; F692-E695 PolarHBondContact O-N 3.41Å; Q693-E695 PolarHBondContact O-N 2.81Å
696	E	81.9	Confident	87.7	Confident	204 Å²	204	67.5 Å²	67.5	95%	0.953	34%	0.342	S	S	*	.			trans	-85.8	137.1	172.6	-66.6	-172.8	172.7	0	0	110.8
697	A	78.5	Confident	87.8	Confident	61 Å²	61	65.4 Å²	65.4	50%	0.504	33%	0.333	S	S	.	.			trans	-124.9	135.7	176.2	0	0	0	0	0	110.9	D699 P703	A697-D699 VanDerWaalsContact C-N 3.34Å; A697-P703 HydrophobicContact CB-CG 3.47Å; A697-P703 VanDerWaalsContact CB-CG 3.47Å
698	L	72.5	Confident	87.9	Confident	190 Å²	190	64.2 Å²	64.2	100%	0.995	33%	0.327	S	S	*	.	S	Bend	trans	-75	-25.3	177.4	-64.4	172.9	0	0	0	112.6
699	D	80.3	Confident	87.7	Confident	79 Å²	79	67.6 Å²	67.6	42%	0.422	34%	0.342	S	S	.	.			trans	-143.4	170.9	-178.9	80.4	-10.9	0	0	0	112.2	A697 G701 G702 P703	A697-D699 VanDerWaalsContact C-N 3.34Å; D699-G701 PolarHBondContact OD1-N 2.93Å; D699-G702 WeakPolarHBondContact OD1-CA 3.14Å; D699-G702 PolarHBondContact OD1-N 3.37Å; D699-G702 PolarHBondContact OD2-N 2.87Å; D699-P703 WeakPolarHBondContact O-CD 3.48Å; D699-P703 WeakPolarHBondContact O-CG 3.28Å; D699-P703 WeakPolarHBondContact OD1-CD 3.3Å
700	W	78.8	Confident	87.7	Confident	116 Å²	116	68.7 Å²	68.7	44%	0.439	35%	0.349	S	S	.	.	S	Bend	trans	-92.6	-10.4	173.6	-64.2	111.4	0	0	0	113.2	E689 V691 R704	E689-W700 HydrophobicContact CB-CD2 4.21Å; E689-W700 HydrophobicContact CB-CE3 3.81Å; E689-W700 HydrophobicContact CB-CZ3 4.08Å; E689-W700 HydrophobicContact CG-CD2 4.14Å; E689-W700 HydrophobicContact CG-CE3 4.24Å; E689-W700 HydrophobicContact CG-CG 4.32Å; V691-W700 HydrophobicContact CG2-CH2 3.82Å; V691-W700 HydrophobicContact CG2-CZ3 3.57Å; W700-R704 WeakPolarHBondContact O-CB 3.45Å
701	G	75.5	Confident	87.8	Confident	15 Å²	15	68.6 Å²	68.6	16%	0.155	35%	0.348	C	S	.	.	H	α-helix	trans	-81.6	-44.4	-176.9	0	0	0	0	0	112.8	D699 R705	D699-G701 PolarHBondContact OD1-N 2.93Å; G701-R705 WeakPolarHBondContact O-CG 3.41Å; G701-R705 PolarHBondContact O-N 3.44Å; G701-R705 VanDerWaalsContact O-N 3.1Å
702	G	79.6	Confident	87.8	Confident	22 Å²	22	66.3 Å²	66.3	23%	0.227	34%	0.335	C	S	.	.	H	α-helix	trans	-57.8	-60.4	176.7	0	0	0	0	0	112.6	D699 R704 R705 E706	D699-G702 WeakPolarHBondContact OD1-CA 3.14Å; D699-G702 PolarHBondContact OD1-N 3.37Å; D699-G702 PolarHBondContact OD2-N 2.87Å; G702-R704 PolarHBondContact O-N 3.17Å; G702-R705 PolarHBondContact O-N 2.85Å; G702-R705 VanDerWaalsContact O-N 3.12Å; G702-E706 PolarHBondContact O-N 2.62Å
703	P	89.3	Confident	87.7	Confident	12 Å²	12	70.7 Å²	70.7	8%	0.078	35%	0.353	C	S	.	.	H	α-helix	trans	-57.6	-35.7	-179.7	-27.2	35	0	0	0	113.5	V690 F692 A697 D699 W707	V690-P703 HydrophobicContact CB-CB 4.27Å; V690-P703 WeakPolarHBondContact O-CB 3.43Å; F692-P703 HydrophobicContact CD2-CB 4.27Å; F692-P703 HydrophobicContact CE2-CB 4.25Å; A697-P703 HydrophobicContact CB-CG 3.47Å; A697-P703 VanDerWaalsContact CB-CG 3.47Å; D699-P703 WeakPolarHBondContact O-CD 3.48Å; D699-P703 WeakPolarHBondContact O-CG 3.28Å; D699-P703 WeakPolarHBondContact OD1-CD 3.3Å; P703-W707 VanDerWaalsContact O-CB 3.32Å; P703-W707 WeakPolarHBondContact O-CB 3.4Å; P703-W707 PolarHBondContact O-N 2.64Å
704	R	90.2	Very high	87.8	Confident	20 Å²	20	67.5 Å²	67.5	8%	0.075	34%	0.343	C	S	.	.	H	α-helix	trans	-63.7	-51.3	175.7	-176.7	-170.9	-57.6	128	13.6	111.6	N687 F688 W700 G702 E706 W707 F708	N687-R704 PolarHBondContact OD1-NE 2.76Å; N687-R704 PolarHBondContact OD1-NH2 3.08Å; F688-R704 VanDerWaalsContact O-CZ 3.27Å; F688-R704 PolarHBondContact O-NE 2.75Å; F688-R704 PolarHBondContact O-NH2 2.96Å; W700-R704 WeakPolarHBondContact O-CB 3.45Å; G702-R704 PolarHBondContact O-N 3.17Å; R704-E706 VanDerWaalsContact C-N 3.29Å; R704-E706 PolarHBondContact O-N 3.3Å; R704-W707 PolarHBondContact O-N 3.28Å; R704-F708 HydrophobicContact CG-CD2 3.98Å; R704-F708 HydrophobicContact CG-CE2 3.74Å; R704-F708 VanDerWaalsContact O-CD2 3.24Å; R704-F708 WeakPolarHBondContact O-CD2 3.23Å; R704-F708 PolarHBondContact O-N 2.93Å; R704-F708 VanDerWaalsContact O-N 3.1Å
705	R	87.2	Confident	88.1	Confident	126 Å²	126	59.2 Å²	59.2	48%	0.475	30%	0.299	S	S	.	.	H	α-helix	trans	-59.8	-43.4	179.2	-74.6	-174.3	-62.2	-99.2	-2.4	111.2	G701 G702 F708 E709	G701-R705 WeakPolarHBondContact O-CG 3.41Å; G701-R705 PolarHBondContact O-N 3.44Å; G701-R705 VanDerWaalsContact O-N 3.1Å; G702-R705 PolarHBondContact O-N 2.85Å; G702-R705 VanDerWaalsContact O-N 3.12Å; R705-F708 PolarHBondContact O-N 3.11Å; R705-E709 PolarHBondContact O-N 2.82Å; R705-E709 VanDerWaalsContact O-N 3.08Å
706	E	91.1	Very high	88.3	Confident	71 Å²	71	55.5 Å²	55.5	33%	0.332	28%	0.281	S	S	.	.	H	α-helix	trans	-63.1	-43.3	177.4	-175.4	175.3	-152.1	0	0	111.9	R665 F692 G702 R704 F708 E709 L710	R665-E706 IonicContact CZ-OE1 2.84Å; R665-E706 IonicContact CZ-OE2 3.22Å; R665-E706 VanDerWaalsContact NH1-CD 3.33Å; R665-E706 IonicContact NH1-OE1 2.68Å; R665-E706 PolarHBondContact NH1-OE1 3.14Å; R665-E706 IonicContact NH1-OE2 3.27Å; R665-E706 VanDerWaalsContact NH2-CD 3.32Å; R665-E706 IonicContact NH2-OE1 3.92Å; R665-E706 PolarHBondContact NH2-OE1 3.4Å; R665-E706 IonicContact NH2-OE2 2.88Å; R665-E706 PolarHBondContact NH2-OE2 2.9Å; F692-E706 HydrophobicContact CE2-CB 4.46Å; F692-E706 HydrophobicContact CE2-CG 4.42Å; F692-E706 HydrophobicContact CZ-CG 4.46Å; G702-E706 PolarHBondContact O-N 2.62Å; R704-E706 VanDerWaalsContact C-N 3.29Å; R704-E706 PolarHBondContact O-N 3.3Å; E706-F708 PolarHBondContact O-N 3.26Å; E706-E709 PolarHBondContact O-N 3.47Å; E706-L710 HydrophobicContact CG-CD1 3.83Å; E706-L710 HydrophobicContact CG-CG 4.18Å; E706-L710 WeakPolarHBondContact O-CB 3.18Å; E706-L710 WeakPolarHBondContact O-CG 3.3Å; E706-L710 PolarHBondContact O-N 3.04Å
707	W	96.3	Very high	88.5	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58.5	-47	176	177.7	78.7	0	0	0	112.3	L661 S672 F688 V690 F692 P703 R704 E709 L710 I711	L661-W707 HydrophobicContact CD2-CZ2 4.27Å; S672-W707 PolarHBondContact OG-NE1 3.46Å; F688-W707 HydrophobicContact CD2-CH2 4.18Å; F688-W707 AromaticContact CD2-CZ3 3.93Å; F688-W707 HydrophobicContact CD2-CZ3 3.93Å; F688-W707 AromaticContact CE2-CH2 3.98Å; F688-W707 HydrophobicContact CE2-CH2 3.98Å; F688-W707 HydrophobicContact CE2-CZ3 4.11Å; V690-W707 HydrophobicContact CB-CB 4.39Å; V690-W707 HydrophobicContact CG1-CB 4.02Å; V690-W707 HydrophobicContact CG1-CG 4.22Å; V690-W707 HydrophobicContact CG2-CB 3.89Å; V690-W707 HydrophobicContact CG2-CD2 4.3Å; V690-W707 HydrophobicContact CG2-CG 3.97Å; F692-W707 HydrophobicContact CZ-CB 4.19Å; P703-W707 VanDerWaalsContact O-CB 3.32Å; P703-W707 WeakPolarHBondContact O-CB 3.4Å; P703-W707 PolarHBondContact O-N 2.64Å; R704-W707 PolarHBondContact O-N 3.28Å; W707-E709 VanDerWaalsContact C-N 3.31Å; W707-E709 PolarHBondContact O-N 2.85Å; W707-L710 PolarHBondContact O-N 3.33Å; W707-I711 HydrophobicContact CD2-CG2 4.34Å; W707-I711 HydrophobicContact CE3-CG2 4.39Å; W707-I711 HydrophobicContact CH2-CG2 4.38Å; W707-I711 HydrophobicContact CZ2-CG1 4.4Å; W707-I711 HydrophobicContact CZ2-CG2 4.32Å; W707-I711 HydrophobicContact CZ3-CG2 4.42Å; W707-I711 WeakPolarHBondContact O-CB 3.34Å; W707-I711 WeakPolarHBondContact O-CG2 3.44Å; W707-I711 PolarHBondContact O-N 2.86Å
708	F	95.9	Very high	89	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.009	24%	0.239	C	C	.	.	H	α-helix	trans	-60.1	-41.3	176.5	-82.7	-72.1	0	0	0	112.2	R704 R705 E706 C712 K758 C759 E762 Q771	R704-F708 HydrophobicContact CG-CD2 3.98Å; R704-F708 HydrophobicContact CG-CE2 3.74Å; R704-F708 VanDerWaalsContact O-CD2 3.24Å; R704-F708 WeakPolarHBondContact O-CD2 3.23Å; R704-F708 PolarHBondContact O-N 2.93Å; R704-F708 VanDerWaalsContact O-N 3.1Å; R705-F708 PolarHBondContact O-N 3.11Å; E706-F708 PolarHBondContact O-N 3.26Å; F708-C712 VanDerWaalsContact O-CB 3.26Å; F708-C712 WeakPolarHBondContact O-CB 3.37Å; F708-C712 PolarHBondContact O-N 3.41Å; F708-C712 PolarHBondContact O-SG 2.87Å; F708-K758 HydrophobicContact CE1-CB 4.29Å; F708-K758 HydrophobicContact CE1-CG 3.74Å; F708-K758 HydrophobicContact CZ-CG 3.58Å; F708-C759 WeakPolarHBondContact CD1-SG 3.46Å; F708-E762 HydrophobicContact CZ-CG 4.35Å; F708-Q771 HydrophobicContact CD1-CB 4.43Å; F708-Q771 HydrophobicContact CD2-CB 4.11Å; F708-Q771 HydrophobicContact CD2-CG 3.56Å; F708-Q771 VanDerWaalsContact CD2-OE1 3.28Å; F708-Q771 HydrophobicContact CE2-CB 4.41Å; F708-Q771 HydrophobicContact CE2-CG 3.65Å; F708-Q771 HydrophobicContact CG-CB 4.13Å; F708-Q771 HydrophobicContact CG-CG 4.1Å; F708-Q771 HydrophobicContact CZ-CG 4.22Å
709	E	91.2	Very high	89.8	Confident	71 Å²	71	42.6 Å²	42.6	33%	0.332	22%	0.219	S	C	.	.	H	α-helix	trans	-63.2	-50.6	176.7	171.5	164.8	178.7	0	0	112	R705 E706 W707 C712 K713 R774	R705-E709 PolarHBondContact O-N 2.82Å; R705-E709 VanDerWaalsContact O-N 3.08Å; E706-E709 PolarHBondContact O-N 3.47Å; W707-E709 VanDerWaalsContact C-N 3.31Å; W707-E709 PolarHBondContact O-N 2.85Å; E709-C712 PolarHBondContact O-N 2.95Å; E709-K713 HydrophobicContact CG-CD 4.42Å; E709-K713 WeakPolarHBondContact O-CG 3.35Å; E709-K713 PolarHBondContact O-N 3.37Å; E709-K713 WeakPolarHBondContact OE1-CE 3.49Å; E709-K713 IonicContact OE1-NZ 3.72Å; E709-K713 PolarHBondContact OE1-NZ 2.92Å; E709-R774 HydrophobicContact CB-CG 4.42Å; E709-R774 HydrophobicContact CG-CG 4.22Å
710	L	95.3	Very high	90.3	Very high	48 Å²	48	40.5 Å²	40.5	25%	0.251	21%	0.208	S	C	.	.	H	α-helix	trans	-68.7	-40.3	-177.1	-69.1	177.4	0	0	0	112.2	I668 F692 E706 W707 K713 A714	I668-L710 HydrophobicContact CD1-CB 3.24Å; I668-L710 HydrophobicContact CD1-CD1 3.91Å; I668-L710 HydrophobicContact CD1-CG 4.24Å; F692-L710 HydrophobicContact CZ-CD1 4.32Å; E706-L710 HydrophobicContact CG-CD1 3.83Å; E706-L710 HydrophobicContact CG-CG 4.18Å; E706-L710 WeakPolarHBondContact O-CB 3.18Å; E706-L710 WeakPolarHBondContact O-CG 3.3Å; E706-L710 PolarHBondContact O-N 3.04Å; W707-L710 PolarHBondContact O-N 3.33Å; L710-K713 PolarHBondContact O-N 2.88Å; L710-A714 VanDerWaalsContact O-CB 3.3Å; L710-A714 WeakPolarHBondContact O-CB 3.48Å; L710-A714 PolarHBondContact O-N 3.39Å
711	I	97.4	Very high	91.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-69.9	-36.5	178.6	-163.6	60.5	0	0	0	111.4	I668 L669 W707 A714 L715 F751 V755	I668-I711 HydrophobicContact CG1-CD1 4.47Å; L669-I711 HydrophobicContact CB-CD1 4.38Å; L669-I711 HydrophobicContact CD1-CD1 3.87Å; W707-I711 HydrophobicContact CD2-CG2 4.34Å; W707-I711 HydrophobicContact CE3-CG2 4.39Å; W707-I711 HydrophobicContact CH2-CG2 4.38Å; W707-I711 HydrophobicContact CZ2-CG1 4.4Å; W707-I711 HydrophobicContact CZ2-CG2 4.32Å; W707-I711 HydrophobicContact CZ3-CG2 4.42Å; W707-I711 WeakPolarHBondContact O-CB 3.34Å; W707-I711 WeakPolarHBondContact O-CG2 3.44Å; W707-I711 PolarHBondContact O-N 2.86Å; I711-A714 PolarHBondContact O-N 2.77Å; I711-L715 HydrophobicContact CG1-CD1 4.03Å; I711-L715 HydrophobicContact CG1-CG 4.41Å; I711-L715 WeakPolarHBondContact O-CB 3.1Å; I711-L715 VanDerWaalsContact O-CG 3.25Å; I711-L715 WeakPolarHBondContact O-CG 3.42Å; I711-L715 PolarHBondContact O-N 2.99Å; I711-F751 HydrophobicContact CD1-CE1 4.12Å; I711-F751 HydrophobicContact CD1-CZ 4.46Å; I711-F751 HydrophobicContact CG1-CE1 4.15Å; I711-F751 HydrophobicContact CG1-CZ 4.36Å; I711-V755 HydrophobicContact CG2-CG1 3.96Å
712	C	96.1	Very high	92.1	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.5	-47	173.2	-74	0	0	0	0	110.9	F708 E709 A714 L715 F716 R774	F708-C712 VanDerWaalsContact O-CB 3.26Å; F708-C712 WeakPolarHBondContact O-CB 3.37Å; F708-C712 PolarHBondContact O-N 3.41Å; F708-C712 PolarHBondContact O-SG 2.87Å; E709-C712 PolarHBondContact O-N 2.95Å; C712-A714 PolarHBondContact O-N 3.11Å; C712-L715 PolarHBondContact O-N 3.42Å; C712-F716 HydrophobicContact CB-CD2 4Å; C712-F716 HydrophobicContact CB-CE2 4.17Å; C712-F716 WeakPolarHBondContact O-CB 3.48Å; C712-F716 WeakPolarHBondContact O-CD2 3.39Å; C712-F716 PolarHBondContact O-N 3.34Å; C712-R774 HydrophobicContact CB-CB 3.79Å; C712-R774 HydrophobicContact CB-CG 4.42Å
713	K	92.3	Very high	92.9	Very high	99 Å²	99	38 Å²	38	43%	0.43	19%	0.191	S	C	.	.	H	α-helix	trans	-57.8	-49	174	-72.1	176.7	-172.8	170.4	0	110.8	E709 L710 L715 D717	E709-K713 HydrophobicContact CG-CD 4.42Å; E709-K713 WeakPolarHBondContact O-CG 3.35Å; E709-K713 PolarHBondContact O-N 3.37Å; E709-K713 WeakPolarHBondContact OE1-CE 3.49Å; E709-K713 IonicContact OE1-NZ 3.72Å; E709-K713 PolarHBondContact OE1-NZ 2.92Å; L710-K713 PolarHBondContact O-N 2.88Å; K713-L715 PolarHBondContact O-N 3.35Å; K713-D717 WeakPolarHBondContact O-CB 3.41Å; K713-D717 PolarHBondContact O-N 3.36Å
714	A	94.9	Very high	93.1	Very high	25 Å²	25	39.7 Å²	39.7	21%	0.207	20%	0.201	C	C	.	.	H	α-helix	trans	-65.5	-19.5	-179	0	0	0	0	0	114.3	I668 L669 L710 I711 C712 N720	I668-A714 HydrophobicContact CG2-CB 3.94Å; L669-A714 HydrophobicContact CB-CB 4.37Å; L710-A714 VanDerWaalsContact O-CB 3.3Å; L710-A714 WeakPolarHBondContact O-CB 3.48Å; L710-A714 PolarHBondContact O-N 3.39Å; I711-A714 PolarHBondContact O-N 2.77Å; C712-A714 PolarHBondContact O-N 3.11Å; A714-N720 PolarHBondContact O-ND2 2.97Å
715	L	96.3	Very high	93.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-94.1	-43.3	177.9	-76.7	169.8	0	0	0	113	L669 I711 C712 K713 L722 F723 F751 A752 V755	L669-L715 HydrophobicContact CD1-CD2 3.51Å; L669-L715 HydrophobicContact CD1-CG 4.09Å; I711-L715 HydrophobicContact CG1-CD1 4.03Å; I711-L715 HydrophobicContact CG1-CG 4.41Å; I711-L715 WeakPolarHBondContact O-CB 3.1Å; I711-L715 VanDerWaalsContact O-CG 3.25Å; I711-L715 WeakPolarHBondContact O-CG 3.42Å; I711-L715 PolarHBondContact O-N 2.99Å; C712-L715 PolarHBondContact O-N 3.42Å; K713-L715 PolarHBondContact O-N 3.35Å; L715-L722 HydrophobicContact CD2-CD2 4Å; L715-F723 WeakPolarHBondContact O-CD2 3.39Å; L715-F751 HydrophobicContact CD1-CD1 4.28Å; L715-F751 HydrophobicContact CD1-CE1 4.11Å; L715-F751 HydrophobicContact CD2-CD1 4.07Å; L715-F751 HydrophobicContact CD2-CE1 4.31Å; L715-A752 HydrophobicContact CD1-CB 4.12Å; L715-A752 HydrophobicContact CD2-CB 4.18Å; L715-V755 HydrophobicContact CD1-CB 4.19Å; L715-V755 HydrophobicContact CD1-CG1 4.27Å; L715-V755 HydrophobicContact CD1-CG2 4.06Å
716	F	94.8	Very high	93.4	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.018	20%	0.198	C	C	.	.	H	α-helix	trans	-106	-10.9	-167.4	-53.4	-54	0	0	0	113.7	C712 F723 V734 A752 V756 V773 A775 F777 F875	C712-F716 HydrophobicContact CB-CD2 4Å; C712-F716 HydrophobicContact CB-CE2 4.17Å; C712-F716 WeakPolarHBondContact O-CB 3.48Å; C712-F716 WeakPolarHBondContact O-CD2 3.39Å; C712-F716 PolarHBondContact O-N 3.34Å; F716-F723 AromaticContact CD1-CD2 3.91Å; F716-F723 HydrophobicContact CD1-CD2 3.91Å; F716-F723 HydrophobicContact CD1-CE1 4.29Å; F716-F723 AromaticContact CD1-CE2 3.59Å; F716-F723 HydrophobicContact CD1-CE2 3.59Å; F716-F723 HydrophobicContact CD1-CG 4.4Å; F716-F723 AromaticContact CD1-CZ 3.81Å; F716-F723 HydrophobicContact CD1-CZ 3.81Å; F716-F723 AromaticContact CE1-CE2 3.83Å; F716-F723 HydrophobicContact CE1-CE2 3.83Å; F716-F723 AromaticContact CE1-CZ 3.9Å; F716-F723 HydrophobicContact CE1-CZ 3.9Å; F716-V734 WeakPolarHBondContact O-CG1 3.46Å; F716-A752 HydrophobicContact CE1-CB 3.98Å; F716-A752 HydrophobicContact CZ-CB 4.22Å; F716-V756 HydrophobicContact CE2-CG2 4.13Å; F716-V756 HydrophobicContact CZ-CG2 3.66Å; F716-V773 HydrophobicContact CD2-CG1 4.18Å; F716-V773 HydrophobicContact CE2-CG1 3.83Å; F716-A775 HydrophobicContact CB-CB 3.66Å; F716-A775 HydrophobicContact CD2-CB 3.74Å; F716-A775 HydrophobicContact CG-CB 3.8Å; F716-F777 HydrophobicContact CB-CE1 4.41Å; F716-F777 AromaticContact CD1-CE1 3.58Å; F716-F777 HydrophobicContact CD1-CE1 3.58Å; F716-F777 AromaticContact CD1-CZ 3.63Å; F716-F777 HydrophobicContact CD1-CZ 3.63Å; F716-F777 HydrophobicContact CD2-CZ 4.06Å; F716-F777 AromaticContact CE1-CE1 3.98Å; F716-F777 HydrophobicContact CE1-CE1 3.98Å; F716-F777 AromaticContact CE1-CZ 3.71Å; F716-F777 HydrophobicContact CE1-CZ 3.71Å; F716-F777 HydrophobicContact CE2-CZ 4.13Å; F716-F777 AromaticContact CG-CE1 3.97Å; F716-F777 HydrophobicContact CG-CE1 3.97Å; F716-F777 AromaticContact CG-CZ 3.83Å; F716-F777 HydrophobicContact CG-CZ 3.83Å; F716-F777 AromaticContact CZ-CZ 3.98Å; F716-F777 HydrophobicContact CZ-CZ 3.98Å; F716-F875 HydrophobicContact CE1-CE2 4.23Å
717	D	85.1	Confident	92.8	Very high	63 Å²	63	36.4 Å²	36.4	34%	0.337	19%	0.193	S	C	.	.	S	Bend	trans	-69.1	148.2	166.1	-175.7	27.6	0	0	0	110.5	K713 S719 N720	K713-D717 WeakPolarHBondContact O-CB 3.41Å; K713-D717 PolarHBondContact O-N 3.36Å; D717-S719 PolarHBondContact O-N 2.83Å; D717-S719 VanDerWaalsContact OD2-CB 3.3Å; D717-S719 WeakPolarHBondContact OD2-CB 3.29Å; D717-S719 PolarHBondContact OD2-OG 3.39Å; D717-N720 PolarHBondContact O-OD1 2.88Å
718	T	89.4	Confident	91.7	Very high	37 Å²	37	46 Å²	46	23%	0.227	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-70.5	-15.6	-179	52.9	0	0	0	0	113.9	N720 Q721 R725 V734	T718-N720 VanDerWaalsContact C-N 3.27Å; T718-N720 PolarHBondContact O-N 3.14Å; T718-Q721 PolarHBondContact O-N 3.39Å; T718-R725 HydrophobicContact CG2-CG 3.71Å; T718-V734 HydrophobicContact CG2-CG1 4.18Å
719	S	88.9	Confident	90.6	Very high	85 Å²	85	48.3 Å²	48.3	59%	0.594	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-58.9	-34.8	-175.6	52.3	0	0	0	0	113.8	D717	D717-S719 PolarHBondContact O-N 2.83Å; D717-S719 VanDerWaalsContact OD2-CB 3.3Å; D717-S719 WeakPolarHBondContact OD2-CB 3.29Å; D717-S719 PolarHBondContact OD2-OG 3.39Å
720	N	91.2	Very high	89.6	Confident	34 Å²	34	51.2 Å²	51.2	18%	0.182	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-87.5	-6.6	178.4	77.1	0.7	0	0	0	113.7	A714 D717 T718 L722 L744	A714-N720 PolarHBondContact O-ND2 2.97Å; D717-N720 PolarHBondContact O-OD1 2.88Å; T718-N720 VanDerWaalsContact C-N 3.27Å; T718-N720 PolarHBondContact O-N 3.14Å; N720-L722 PolarHBondContact O-N 2.8Å; N720-L722 VanDerWaalsContact OD1-CB 3.27Å; N720-L722 WeakPolarHBondContact OD1-CB 3.28Å; N720-L722 PolarHBondContact OD1-N 2.84Å; N720-L744 WeakPolarHBondContact O-CD1 3.4Å
721	Q	95.1	Very high	88.5	Confident	100 Å²	100	49.9 Å²	49.9	47%	0.467	26%	0.26	S	S	.	.	S	Bend	trans	61	12.8	-176.4	-52	178.3	31.5	0	0	116.7	T718 N737 R740 P741 L744	T718-Q721 PolarHBondContact O-N 3.39Å; Q721-N737 VanDerWaalsContact O-CB 3.31Å; Q721-N737 WeakPolarHBondContact O-CB 3.34Å; Q721-N737 PolarHBondContact O-ND2 2.93Å; Q721-R740 WeakPolarHBondContact O-CB 3.49Å; Q721-P741 HydrophobicContact CB-CG 4.16Å; Q721-P741 VanDerWaalsContact OE1-CG 3.25Å; Q721-L744 HydrophobicContact CB-CD1 4.49Å
722	L	96	Very high	87.7	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	-71	-40.2	170.1	-172.2	70.8	0	0	0	110.4	L715 N720 N737 L744 M748 Y749	L715-L722 HydrophobicContact CD2-CD2 4Å; N720-L722 PolarHBondContact O-N 2.8Å; N720-L722 VanDerWaalsContact OD1-CB 3.27Å; N720-L722 WeakPolarHBondContact OD1-CB 3.28Å; N720-L722 PolarHBondContact OD1-N 2.84Å; L722-N737 WeakPolarHBondContact O-CB 3.33Å; L722-N737 PolarHBondContact O-N 2.85Å; L722-N737 VanDerWaalsContact O-N 3.17Å; L722-L744 HydrophobicContact CB-CD1 4.37Å; L722-L744 HydrophobicContact CD1-CB 4.28Å; L722-M748 HydrophobicContact CD1-CB 3.91Å; L722-M748 HydrophobicContact CD2-CB 4.25Å; L722-Y749 HydrophobicContact CD1-CD1 4.38Å; L722-Y749 HydrophobicContact CD1-CD2 4.12Å; L722-Y749 HydrophobicContact CD1-CE1 3.9Å; L722-Y749 HydrophobicContact CD1-CE2 3.62Å; L722-Y749 HydrophobicContact CD1-CG 4.47Å; L722-Y749 HydrophobicContact CG-CD1 4.4Å; L722-Y749 HydrophobicContact CG-CE1 3.86Å; L722-Y749 HydrophobicContact CG-CE2 4.48Å; L722-Y749 WeakPolarHBondContact O-CE1 3.26Å; L722-Y749 PolarHBondContact O-OH 3.14Å
723	F	96.5	Very high	87.4	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	154.1	166.2	-76.1	-108	0	0	0	108.7	L715 F716 V734 H735 P736 Y749 F777 F781	L715-F723 WeakPolarHBondContact O-CD2 3.39Å; F716-F723 AromaticContact CD1-CD2 3.91Å; F716-F723 HydrophobicContact CD1-CD2 3.91Å; F716-F723 HydrophobicContact CD1-CE1 4.29Å; F716-F723 AromaticContact CD1-CE2 3.59Å; F716-F723 HydrophobicContact CD1-CE2 3.59Å; F716-F723 HydrophobicContact CD1-CG 4.4Å; F716-F723 AromaticContact CD1-CZ 3.81Å; F716-F723 HydrophobicContact CD1-CZ 3.81Å; F716-F723 AromaticContact CE1-CE2 3.83Å; F716-F723 HydrophobicContact CE1-CE2 3.83Å; F716-F723 AromaticContact CE1-CZ 3.9Å; F716-F723 HydrophobicContact CE1-CZ 3.9Å; F723-V734 HydrophobicContact CB-CB 4.24Å; F723-V734 HydrophobicContact CD1-CB 4.47Å; F723-V734 HydrophobicContact CD1-CG2 4.32Å; F723-H735 CarbonylContact C-O 3.55Å; F723-H735 VanDerWaalsContact CA-O 3.24Å; F723-H735 WeakPolarHBondContact CA-O 3.46Å; F723-H735 WeakPolarHBondContact CB-O 3.32Å; F723-H735 VanDerWaalsContact CD1-C 3.44Å; F723-H735 WeakPolarHBondContact CD1-O 3.23Å; F723-P736 HydrophobicContact CD1-CG 4.46Å; F723-P736 HydrophobicContact CE1-CG 3.91Å; F723-P736 HydrophobicContact CZ-CG 4.43Å; F723-Y749 HydrophobicContact CD2-CE1 4.39Å; F723-Y749 HydrophobicContact CE2-CD1 4.1Å; F723-Y749 AromaticContact CE2-CE1 3.93Å; F723-Y749 HydrophobicContact CE2-CE1 3.93Å; F723-Y749 HydrophobicContact CZ-CD1 4.34Å; F723-Y749 HydrophobicContact CZ-CE1 4.31Å; F723-F777 HydrophobicContact CD1-CE1 4.29Å; F723-F777 HydrophobicContact CE1-CD1 4.18Å; F723-F777 AromaticContact CE1-CE1 3.79Å; F723-F777 HydrophobicContact CE1-CE1 3.79Å; F723-F777 HydrophobicContact CZ-CE1 4.28Å; F723-F781 HydrophobicContact CE1-CD1 4.48Å; F723-F781 AromaticContact CE1-CE1 3.97Å; F723-F781 HydrophobicContact CE1-CE1 3.97Å; F723-F781 HydrophobicContact CE1-CZ 4.07Å; F723-F781 HydrophobicContact CZ-CE1 4.38Å; F723-F781 HydrophobicContact CZ-CZ 4.2Å
724	T	95.2	Very high	87.5	Confident	48 Å²	48	46.6 Å²	46.6	29%	0.294	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	174.9	179.6	-167	0	0	0	0	110.2	V734 H735 N737	T724-V734 CarbonylContact O-C 2.96Å; T724-V734 VanDerWaalsContact O-CA 3.32Å; T724-V734 WeakPolarHBondContact O-CA 3.45Å; T724-H735 PolarHBondContact N-O 3.09Å; T724-H735 PolarHBondContact O-N 2.71Å; T724-N737 HydrophobicContact CG2-CB 3.99Å
725	R	91.9	Very high	87.6	Confident	53 Å²	53	45.6 Å²	45.6	20%	0.2	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	148.9	169.3	-69.1	166.1	-174.3	143.3	8.4	108.3	T718 S727 N729 N730 G732 V734	T718-R725 HydrophobicContact CG2-CG 3.71Å; R725-S727 VanDerWaalsContact C-N 3.29Å; R725-S727 WeakPolarHBondContact CB-O 3.43Å; R725-N729 WeakPolarHBondContact CD-O 3.42Å; R725-N730 PolarHBondContact NH1-OD1 3.27Å; R725-N730 VanDerWaalsContact NH1-OD1 3.14Å; R725-G732 PolarHBondContact NE-O 2.95Å; R725-V734 HydrophobicContact CG-CG1 4.32Å
726	F	90.1	Very high	87.6	Confident	63 Å²	63	45.7 Å²	45.7	28%	0.276	24%	0.243	S	C	.	.	S	Bend	trans	-72.4	-26.6	171.4	-69	-75.3	0	0	0	112.4	H735 T778 D798 D799 L864	F726-H735 HydrophobicContact CD2-CB 4.39Å; F726-H735 HydrophobicContact CE2-CB 3.74Å; F726-H735 AromaticContact CE2-CD2 3.94Å; F726-H735 AromaticContact CE2-CG 3.59Å; F726-H735 AromaticContact CE2-ND1 3.92Å; F726-H735 HydrophobicContact CZ-CB 4.24Å; F726-H735 AromaticContact CZ-CD2 3.63Å; F726-H735 AromaticContact CZ-CG 3.79Å; F726-T778 HydrophobicContact CD2-CG2 4.3Å; F726-T778 HydrophobicContact CE2-CG2 4.15Å; F726-D798 WeakPolarHBondContact CB-O 3.5Å; F726-D798 HydrophobicContact CD2-CB 4.31Å; F726-D798 WeakPolarHBondContact CD2-O 3.46Å; F726-D798 HydrophobicContact CE2-CB 4.37Å; F726-D799 HydrophobicContact CB-CB 3.77Å; F726-D799 HydrophobicContact CD1-CB 4.46Å; F726-D799 HydrophobicContact CD2-CB 4.42Å; F726-D799 HydrophobicContact CG-CB 3.99Å; F726-L864 HydrophobicContact CE1-CD2 4.23Å; F726-L864 HydrophobicContact CE2-CD2 3.83Å; F726-L864 HydrophobicContact CZ-CD2 3.56Å
727	S	79.8	Confident	87.7	Confident	33 Å²	33	46.3 Å²	46.3	23%	0.231	25%	0.246	C	C	.	.	S	Bend	trans	-114.8	150.2	174.2	63.4	0	0	0	0	111.7	R725 N729	R725-S727 VanDerWaalsContact C-N 3.29Å; R725-S727 WeakPolarHBondContact CB-O 3.43Å; S727-N729 PolarHBondContact O-N 2.9Å; S727-N729 VanDerWaalsContact O-N 3.17Å
728	E	71.9	Confident	88	Confident	201 Å²	201	44.9 Å²	44.9	94%	0.939	24%	0.243	S	C	*	.	S	Bend	trans	-69.6	-6.5	174.6	-61.8	-170.1	166	0	0	113	N730	E728-N730 PolarHBondContact O-N 2.9Å
729	N	73.4	Confident	88.1	Confident	51 Å²	51	48.8 Å²	48.8	27%	0.273	26%	0.263	S	S	.	.	S	Bend	trans	-64.8	130.5	177.7	-172.6	-6.4	0	0	0	110.6	R725 S727 Q731 G732 C966	R725-N729 WeakPolarHBondContact CD-O 3.42Å; S727-N729 PolarHBondContact O-N 2.9Å; S727-N729 VanDerWaalsContact O-N 3.17Å; N729-Q731 PolarHBondContact O-N 2.87Å; N729-Q731 WeakPolarHBondContact OD1-CB 3.33Å; N729-Q731 WeakPolarHBondContact OD1-CG 3.13Å; N729-Q731 PolarHBondContact OD1-N 2.89Å; N729-G732 PolarHBondContact O-N 3.45Å; N729-C966 PolarHBondContact ND2-O 3.34Å
730	N	71.1	Confident	88.4	Confident	131 Å²	131	46.8 Å²	46.8	70%	0.701	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-14.9	174.7	-84	-20.4	0	0	0	114	R725 E728 G732	R725-N730 PolarHBondContact NH1-OD1 3.27Å; R725-N730 VanDerWaalsContact NH1-OD1 3.14Å; E728-N730 PolarHBondContact O-N 2.9Å; N730-G732 VanDerWaalsContact C-N 3.33Å
731	Q	71.8	Confident	88.5	Confident	20 Å²	20	46.8 Å²	46.8	9%	0.093	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-16.2	171.3	-55.3	-126.7	-71.3	0	0	114.2	N729 R776 T964 L965 C966 N988	N729-Q731 PolarHBondContact O-N 2.87Å; N729-Q731 WeakPolarHBondContact OD1-CB 3.33Å; N729-Q731 WeakPolarHBondContact OD1-CG 3.13Å; N729-Q731 PolarHBondContact OD1-N 2.89Å; Q731-R776 PolarHBondContact O-NH1 2.85Å; Q731-T964 PolarHBondContact NE2-O 3.21Å; Q731-L965 VanDerWaalsContact NE2-CA 3.27Å; Q731-C966 HydrophobicContact CG-CB 4.05Å; Q731-C966 PolarHBondContact OE1-O 2.91Å; Q731-N988 PolarHBondContact OE1-ND2 3.37Å
732	G	79.2	Confident	88.3	Confident	13 Å²	13	46.8 Å²	46.8	13%	0.134	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-57.2	137.8	-172.4	0	0	0	0	0	112	R725 N729 N730	R725-G732 PolarHBondContact NE-O 2.95Å; N729-G732 PolarHBondContact O-N 3.45Å; N730-G732 VanDerWaalsContact C-N 3.33Å
733	L	90.3	Very high	88.1	Confident	9 Å²	9	53.3 Å²	53.3	5%	0.047	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-67.9	146.6	172.2	-57	-179.1	0	0	0	109.6	R776 T778	L733-R776 CarbonylContact C-O 3.59Å; L733-R776 VanDerWaalsContact CA-O 3.26Å; L733-R776 WeakPolarHBondContact CA-O 3.48Å; L733-R776 HydrophobicContact CD2-CB 3.97Å; L733-T778 HydrophobicContact CB-CG2 3.68Å
734	V	94.3	Very high	87.9	Confident	8 Å²	8	53.9 Å²	53.9	5%	0.048	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	136.5	-176.2	-57.9	0	0	0	0	111.3	F716 T718 F723 T724 R725 R776 F777 T778	F716-V734 WeakPolarHBondContact O-CG1 3.46Å; T718-V734 HydrophobicContact CG2-CG1 4.18Å; F723-V734 HydrophobicContact CB-CB 4.24Å; F723-V734 HydrophobicContact CD1-CB 4.47Å; F723-V734 HydrophobicContact CD1-CG2 4.32Å; T724-V734 CarbonylContact O-C 2.96Å; T724-V734 VanDerWaalsContact O-CA 3.32Å; T724-V734 WeakPolarHBondContact O-CA 3.45Å; R725-V734 HydrophobicContact CG-CG1 4.32Å; V734-R776 PolarHBondContact N-O 3.33Å; V734-F777 HydrophobicContact CG2-CD1 3.76Å; V734-F777 HydrophobicContact CG2-CE1 4.13Å; V734-F777 WeakPolarHBondContact O-CA 3.43Å; V734-T778 PolarHBondContact O-N 3.33Å; V734-T778 PolarHBondContact O-OG1 2.82Å
735	H	96.7	Very high	87.9	Confident	4 Å²	4	60.6 Å²	60.6	2%	0.019	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	150	-177.9	-161.3	73.8	0	0	0	110	F723 T724 F726 N737 T778 L864	F723-H735 CarbonylContact C-O 3.55Å; F723-H735 VanDerWaalsContact CA-O 3.24Å; F723-H735 WeakPolarHBondContact CA-O 3.46Å; F723-H735 WeakPolarHBondContact CB-O 3.32Å; F723-H735 VanDerWaalsContact CD1-C 3.44Å; F723-H735 WeakPolarHBondContact CD1-O 3.23Å; T724-H735 PolarHBondContact N-O 3.09Å; T724-H735 PolarHBondContact O-N 2.71Å; F726-H735 HydrophobicContact CD2-CB 4.39Å; F726-H735 HydrophobicContact CE2-CB 3.74Å; F726-H735 AromaticContact CE2-CD2 3.94Å; F726-H735 AromaticContact CE2-CG 3.59Å; F726-H735 AromaticContact CE2-ND1 3.92Å; F726-H735 HydrophobicContact CZ-CB 4.24Å; F726-H735 AromaticContact CZ-CD2 3.63Å; F726-H735 AromaticContact CZ-CG 3.79Å; H735-N737 PolarHBondContact O-N 3.12Å; H735-T778 HydrophobicContact CB-CG2 3.83Å; H735-T778 PolarHBondContact ND1-OG1 2.82Å; H735-L864 PolarHBondContact CE1-O 2.82Å; H735-L864 PolarHBondContact NE2-O 2.92Å; H735-L864 VanDerWaalsContact NE2-O 3.09Å
736	P	97.6	Very high	88.1	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.013	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54	140.3	171.9	-25.9	35.1	0	0	0	111.9	F723 Y749 F781 V868 E871 V872	F723-P736 HydrophobicContact CD1-CG 4.46Å; F723-P736 HydrophobicContact CE1-CG 3.91Å; F723-P736 HydrophobicContact CZ-CG 4.43Å; P736-Y749 HydrophobicContact CB-CE1 4.08Å; P736-F781 HydrophobicContact CG-CD2 3.51Å; P736-F781 HydrophobicContact CG-CE2 3.49Å; P736-F781 VanDerWaalsContact CG-CE2 3.49Å; P736-F781 HydrophobicContact CG-CG 4.27Å; P736-F781 HydrophobicContact CG-CZ 4.23Å; P736-V868 HydrophobicContact CB-CB 4.06Å; P736-V868 HydrophobicContact CB-CG1 4.08Å; P736-V868 VanDerWaalsContact O-CG1 3.3Å; P736-V868 WeakPolarHBondContact O-CG1 3.39Å; P736-E871 HydrophobicContact CB-CB 4.14Å; P736-V872 HydrophobicContact CG-CG2 4.1Å
737	N	96.3	Very high	88.3	Confident	17 Å²	17	64.7 Å²	64.7	9%	0.091	34%	0.335	C	S	.	.			trans	-93.9	107.7	-177.7	-172.3	6	0	0	0	112	Q721 L722 T724 H735 D739 R740 Y749	Q721-N737 VanDerWaalsContact O-CB 3.31Å; Q721-N737 WeakPolarHBondContact O-CB 3.34Å; Q721-N737 PolarHBondContact O-ND2 2.93Å; L722-N737 WeakPolarHBondContact O-CB 3.33Å; L722-N737 PolarHBondContact O-N 2.85Å; L722-N737 VanDerWaalsContact O-N 3.17Å; T724-N737 HydrophobicContact CG2-CB 3.99Å; H735-N737 PolarHBondContact O-N 3.12Å; N737-D739 VanDerWaalsContact C-N 3.32Å; N737-D739 PolarHBondContact OD1-N 2.88Å; N737-R740 HydrophobicContact CB-CB 4.07Å; N737-R740 WeakPolarHBondContact ND2-CA 3.36Å; N737-R740 WeakPolarHBondContact O-CB 3.28Å; N737-R740 PolarHBondContact O-N 3.46Å; N737-R740 PolarHBondContact O-NH1 2.78Å; N737-R740 PolarHBondContact OD1-N 2.72Å; N737-Y749 PolarHBondContact N-OH 3.49Å; N737-Y749 PolarHBondContact O-OH 2.76Å
738	A	92	Very high	89.1	Confident	34 Å²	34	64.3 Å²	64.3	28%	0.281	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-36.7	174.5	0	0	0	0	0	112	R740 Q867 V868	A738-R740 VanDerWaalsContact C-N 3.33Å; A738-R740 PolarHBondContact O-N 2.71Å; A738-Q867 HydrophobicContact CB-CB 4.18Å; A738-Q867 WeakPolarHBondContact CB-O 3.3Å; A738-V868 HydrophobicContact CB-CG1 3.92Å
739	D	91.7	Very high	90.3	Very high	118 Å²	118	54.8 Å²	54.8	63%	0.631	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	27	-177.6	-64.3	-49.3	0	0	0	112.4	N737 K826	N737-D739 VanDerWaalsContact C-N 3.32Å; N737-D739 PolarHBondContact OD1-N 2.88Å; D739-K826 IonicContact OD1-NZ 3.23Å
740	R	94.3	Very high	91.5	Very high	44 Å²	44	53.1 Å²	53.1	17%	0.166	28%	0.276	C	S	.	.			trans	-60.6	153.1	-178.4	78.3	-171	165.7	-76.3	2.2	112.5	Q721 N737 A738 A742 L744 Y749 E871	Q721-R740 WeakPolarHBondContact O-CB 3.49Å; N737-R740 HydrophobicContact CB-CB 4.07Å; N737-R740 WeakPolarHBondContact ND2-CA 3.36Å; N737-R740 WeakPolarHBondContact O-CB 3.28Å; N737-R740 PolarHBondContact O-N 3.46Å; N737-R740 PolarHBondContact O-NH1 2.78Å; N737-R740 PolarHBondContact OD1-N 2.72Å; A738-R740 VanDerWaalsContact C-N 3.33Å; A738-R740 PolarHBondContact O-N 2.71Å; R740-A742 PolarHBondContact O-N 3.02Å; R740-L744 HydrophobicContact CB-CD1 4.39Å; R740-L744 VanDerWaalsContact CD-O 3.27Å; R740-L744 WeakPolarHBondContact CD-O 3.4Å; R740-L744 HydrophobicContact CG-CB 4.27Å; R740-L744 PolarHBondContact NE-O 2.77Å; R740-Y749 WeakPolarHBondContact CD-OH 3.23Å; R740-E871 IonicContact CZ-OE1 2.68Å; R740-E871 VanDerWaalsContact NH1-CD 3.3Å; R740-E871 IonicContact NH1-OE1 3.73Å; R740-E871 PolarHBondContact NH1-OE1 3.01Å; R740-E871 IonicContact NH2-OE1 3.15Å; R740-E871 PolarHBondContact NH2-OE1 3.16Å
741	P	94.2	Very high	92.8	Very high	34 Å²	34	47.2 Å²	47.2	22%	0.221	24%	0.244	C	C	.	.			trans	-55	137.9	171.7	-27.5	34.6	0	0	0	113.4	Q721 H743 L744	Q721-P741 HydrophobicContact CB-CG 4.16Å; Q721-P741 VanDerWaalsContact OE1-CG 3.25Å; P741-H743 WeakPolarHBondContact CB-CE1 3.47Å; P741-H743 WeakPolarHBondContact CB-ND1 3.45Å; P741-H743 PolarHBondContact O-N 2.76Å; P741-L744 HydrophobicContact CG-CD1 4.36Å; P741-L744 WeakPolarHBondContact O-CB 3.49Å; P741-L744 PolarHBondContact O-N 2.71Å
742	A	91.1	Very high	94	Very high	100 Å²	100	46.2 Å²	46.2	83%	0.826	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.1	-174.4	0	0	0	0	0	115.5	R740 L744	R740-A742 PolarHBondContact O-N 3.02Å; A742-L744 VanDerWaalsContact C-N 3.3Å
743	H	90.6	Very high	94.9	Very high	137 Å²	137	45.6 Å²	45.6	63%	0.634	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-23.1	175.9	70.2	-91.5	0	0	0	112.7	P741 R745	P741-H743 WeakPolarHBondContact CB-CE1 3.47Å; P741-H743 WeakPolarHBondContact CB-ND1 3.45Å; P741-H743 PolarHBondContact O-N 2.76Å; H743-R745 PolarHBondContact O-N 2.79Å
744	L	93.4	Very high	95.3	Very high	11 Å²	11	47 Å²	47	6%	0.058	24%	0.238	C	C	.	.	S	Bend	trans	-83.1	90.9	175.9	-58.1	175.4	0	0	0	109.8	N720 Q721 L722 R740 P741 A742 M748	N720-L744 WeakPolarHBondContact O-CD1 3.4Å; Q721-L744 HydrophobicContact CB-CD1 4.49Å; L722-L744 HydrophobicContact CB-CD1 4.37Å; L722-L744 HydrophobicContact CD1-CB 4.28Å; R740-L744 HydrophobicContact CB-CD1 4.39Å; R740-L744 VanDerWaalsContact CD-O 3.27Å; R740-L744 WeakPolarHBondContact CD-O 3.4Å; R740-L744 HydrophobicContact CG-CB 4.27Å; R740-L744 PolarHBondContact NE-O 2.77Å; P741-L744 HydrophobicContact CG-CD1 4.36Å; P741-L744 WeakPolarHBondContact O-CB 3.49Å; P741-L744 PolarHBondContact O-N 2.71Å; A742-L744 VanDerWaalsContact C-N 3.3Å; L744-M748 HydrophobicContact CB-SD 4.11Å; L744-M748 HydrophobicContact CD2-CE 3.72Å; L744-M748 HydrophobicContact CD2-SD 3.54Å; L744-M748 VanDerWaalsContact CD2-SD 3.54Å; L744-M748 HydrophobicContact CG-SD 4.44Å
745	R	94.4	Very high	95.5	Very high	189 Å²	189	46.7 Å²	46.7	71%	0.713	24%	0.236	S	C	*	.			trans	-75.5	157.7	-175.3	-60.4	-176.7	-177.5	-177.7	0.5	112	H743 K747 M748	H743-R745 PolarHBondContact O-N 2.79Å; R745-K747 PolarHBondContact O-N 2.75Å; R745-M748 WeakPolarHBondContact O-CB 3.36Å; R745-M748 PolarHBondContact O-N 2.91Å
746	L	95.8	Very high	95.6	Very high	47 Å²	47	46.5 Å²	46.5	25%	0.246	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-31	176.5	-71.8	171	0	0	0	114.2	M748 Y749 E750 D870 E871 H874	L746-M748 PolarHBondContact O-N 2.81Å; L746-M748 VanDerWaalsContact O-N 3.14Å; L746-Y749 HydrophobicContact CD2-CD2 4.4Å; L746-Y749 WeakPolarHBondContact O-CB 3.45Å; L746-Y749 PolarHBondContact O-N 2.72Å; L746-E750 PolarHBondContact O-N 3.28Å; L746-D870 HydrophobicContact CD1-CB 4.21Å; L746-D870 HydrophobicContact CD2-CB 3.97Å; L746-E871 HydrophobicContact CD2-CG 4.07Å; L746-H874 HydrophobicContact CB-CB 4.49Å
747	K	94.7	Very high	95.6	Very high	156 Å²	156	46.4 Å²	46.4	68%	0.678	23%	0.234	S	C	*	.	H	α-helix	trans	-60.8	-20.3	174.8	-70	-170.4	175.9	-173.1	0	114.2	R745 E750 F751	R745-K747 PolarHBondContact O-N 2.75Å; K747-E750 WeakPolarHBondContact O-CB 3.15Å; K747-E750 PolarHBondContact O-N 2.83Å; K747-F751 PolarHBondContact O-N 2.86Å
748	M	96.1	Very high	95.6	Very high	25 Å²	25	45.6 Å²	45.6	12%	0.123	23%	0.23	C	C	.	.	H	α-helix	trans	-69.8	-36.1	173.2	-66.2	-174.3	65.7	0	0	111.7	L669 L673 L722 L744 R745 L746 E750 F751 A752	L669-M748 HydrophobicContact CD2-CE 3.74Å; L669-M748 HydrophobicContact CG-CE 4.33Å; L673-M748 HydrophobicContact CD1-CE 4.31Å; L722-M748 HydrophobicContact CD1-CB 3.91Å; L722-M748 HydrophobicContact CD2-CB 4.25Å; L744-M748 HydrophobicContact CB-SD 4.11Å; L744-M748 HydrophobicContact CD2-CE 3.72Å; L744-M748 HydrophobicContact CD2-SD 3.54Å; L744-M748 VanDerWaalsContact CD2-SD 3.54Å; L744-M748 HydrophobicContact CG-SD 4.44Å; R745-M748 WeakPolarHBondContact O-CB 3.36Å; R745-M748 PolarHBondContact O-N 2.91Å; L746-M748 PolarHBondContact O-N 2.81Å; L746-M748 VanDerWaalsContact O-N 3.14Å; M748-E750 VanDerWaalsContact C-N 3.35Å; M748-F751 PolarHBondContact O-N 3.43Å; M748-A752 WeakPolarHBondContact O-CB 3.48Å; M748-A752 PolarHBondContact O-N 2.95Å
749	Y	98	Very high	95.9	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66.1	-39.7	170.6	-65.6	-79.2	0	0	0	111.2	L722 F723 P736 N737 R740 L746 F751 A752 G753 E871 F875	L722-Y749 HydrophobicContact CD1-CD1 4.38Å; L722-Y749 HydrophobicContact CD1-CD2 4.12Å; L722-Y749 HydrophobicContact CD1-CE1 3.9Å; L722-Y749 HydrophobicContact CD1-CE2 3.62Å; L722-Y749 HydrophobicContact CD1-CG 4.47Å; L722-Y749 HydrophobicContact CG-CD1 4.4Å; L722-Y749 HydrophobicContact CG-CE1 3.86Å; L722-Y749 HydrophobicContact CG-CE2 4.48Å; L722-Y749 WeakPolarHBondContact O-CE1 3.26Å; L722-Y749 PolarHBondContact O-OH 3.14Å; F723-Y749 HydrophobicContact CD2-CE1 4.39Å; F723-Y749 HydrophobicContact CE2-CD1 4.1Å; F723-Y749 AromaticContact CE2-CE1 3.93Å; F723-Y749 HydrophobicContact CE2-CE1 3.93Å; F723-Y749 HydrophobicContact CZ-CD1 4.34Å; F723-Y749 HydrophobicContact CZ-CE1 4.31Å; P736-Y749 HydrophobicContact CB-CE1 4.08Å; N737-Y749 PolarHBondContact N-OH 3.49Å; N737-Y749 PolarHBondContact O-OH 2.76Å; R740-Y749 WeakPolarHBondContact CD-OH 3.23Å; L746-Y749 HydrophobicContact CD2-CD2 4.4Å; L746-Y749 WeakPolarHBondContact O-CB 3.45Å; L746-Y749 PolarHBondContact O-N 2.72Å; Y749-F751 VanDerWaalsContact C-N 3.31Å; Y749-F751 PolarHBondContact O-N 2.8Å; Y749-A752 WeakPolarHBondContact O-CB 3.15Å; Y749-A752 PolarHBondContact O-N 3.08Å; Y749-A752 VanDerWaalsContact O-N 3.14Å; Y749-G753 PolarHBondContact O-N 3.47Å; Y749-E871 WeakPolarHBondContact CB-O 3.3Å; Y749-E871 HydrophobicContact CD1-CB 4.15Å; Y749-E871 HydrophobicContact CD2-CB 3.9Å; Y749-E871 HydrophobicContact CD2-CG 3.94Å; Y749-E871 HydrophobicContact CE1-CB 4.03Å; Y749-E871 HydrophobicContact CE1-CG 4.31Å; Y749-E871 HydrophobicContact CE2-CB 3.76Å; Y749-E871 HydrophobicContact CE2-CG 3.38Å; Y749-E871 HydrophobicContact CG-CB 4.09Å; Y749-F875 WeakPolarHBondContact O-CA 3.31Å
750	E	97.8	Very high	96.1	Very high	17 Å²	17	38.6 Å²	38.6	8%	0.079	19%	0.188	C	C	.	.	H	α-helix	trans	-59.7	-41.9	173.3	-159.8	-172.7	101.5	0	0	111.7	L746 K747 M748 G753 R754 H874 K877 G878	L746-E750 PolarHBondContact O-N 3.28Å; K747-E750 WeakPolarHBondContact O-CB 3.15Å; K747-E750 PolarHBondContact O-N 2.83Å; M748-E750 VanDerWaalsContact C-N 3.35Å; E750-G753 PolarHBondContact O-N 2.87Å; E750-R754 WeakPolarHBondContact O-CG 2.94Å; E750-R754 PolarHBondContact O-N 3.17Å; E750-R754 VanDerWaalsContact O-N 3.08Å; E750-R754 IonicContact OE1-CZ 3.4Å; E750-R754 IonicContact OE1-NH1 2.66Å; E750-R754 PolarHBondContact OE1-NH1 2.79Å; E750-R754 IonicContact OE1-NH2 3.12Å; E750-R754 PolarHBondContact OE1-NH2 3.35Å; E750-H874 WeakPolarHBondContact CA-O 3.4Å; E750-H874 HydrophobicContact CB-CB 4.43Å; E750-K877 HydrophobicContact CG-CD 4.44Å; E750-K877 HydrophobicContact CG-CG 4.46Å; E750-K877 WeakPolarHBondContact OE2-CD 3.48Å; E750-K877 WeakPolarHBondContact OE2-CE 3.13Å; E750-K877 IonicContact OE2-NZ 3.07Å; E750-K877 PolarHBondContact OE2-NZ 2.88Å; E750-G878 WeakPolarHBondContact O-CA 3.41Å
751	F	97.9	Very high	96.2	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.026	18%	0.182	C	C	.	.	H	α-helix	trans	-64.3	-43.3	172	175.8	-104.9	0	0	0	112.5	L669 L673 T676 W684 I711 L715 K747 M748 Y749 G753 R754 V755	L669-F751 HydrophobicContact CD1-CD1 4.49Å; L669-F751 HydrophobicContact CD1-CE1 4.14Å; L673-F751 HydrophobicContact CD2-CB 3.63Å; L673-F751 HydrophobicContact CD2-CD1 3.54Å; L673-F751 HydrophobicContact CD2-CD2 3.78Å; L673-F751 HydrophobicContact CD2-CE1 4.11Å; L673-F751 HydrophobicContact CD2-CE2 4.31Å; L673-F751 HydrophobicContact CD2-CG 3.35Å; L673-F751 HydrophobicContact CD2-CZ 4.46Å; L673-F751 HydrophobicContact CG-CD1 4.07Å; L673-F751 HydrophobicContact CG-CE1 4.19Å; L673-F751 HydrophobicContact CG-CG 4.31Å; T676-F751 HydrophobicContact CG2-CE2 4.39Å; T676-F751 VanDerWaalsContact OG1-CE2 3.22Å; T676-F751 WeakPolarHBondContact OG1-CE2 3.34Å; W684-F751 AromaticContact CH2-CD2 3.85Å; W684-F751 HydrophobicContact CH2-CD2 3.85Å; W684-F751 AromaticContact CH2-CE2 3.61Å; W684-F751 HydrophobicContact CH2-CE2 3.61Å; W684-F751 HydrophobicContact CZ2-CD2 4.01Å; W684-F751 HydrophobicContact CZ2-CE2 4.04Å; I711-F751 HydrophobicContact CD1-CE1 4.12Å; I711-F751 HydrophobicContact CD1-CZ 4.46Å; I711-F751 HydrophobicContact CG1-CE1 4.15Å; I711-F751 HydrophobicContact CG1-CZ 4.36Å; L715-F751 HydrophobicContact CD1-CD1 4.28Å; L715-F751 HydrophobicContact CD1-CE1 4.11Å; L715-F751 HydrophobicContact CD2-CD1 4.07Å; L715-F751 HydrophobicContact CD2-CE1 4.31Å; K747-F751 PolarHBondContact O-N 2.86Å; M748-F751 PolarHBondContact O-N 3.43Å; Y749-F751 VanDerWaalsContact C-N 3.31Å; Y749-F751 PolarHBondContact O-N 2.8Å; F751-G753 VanDerWaalsContact C-N 3.32Å; F751-G753 PolarHBondContact O-N 3.28Å; F751-R754 WeakPolarHBondContact O-CB 3.5Å; F751-R754 PolarHBondContact O-N 2.98Å; F751-R754 VanDerWaalsContact O-N 3.16Å; F751-V755 HydrophobicContact CD1-CG2 4.3Å; F751-V755 HydrophobicContact CE1-CG2 3.86Å; F751-V755 HydrophobicContact CE2-CG2 4.11Å; F751-V755 HydrophobicContact CZ-CG2 3.75Å; F751-V755 WeakPolarHBondContact O-CG2 3.31Å; F751-V755 PolarHBondContact O-N 3.44Å
752	A	98.3	Very high	96.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.5	-41.8	176.8	0	0	0	0	0	112.2	L715 F716 M748 Y749 R754 V755 V756 F875	L715-A752 HydrophobicContact CD1-CB 4.12Å; L715-A752 HydrophobicContact CD2-CB 4.18Å; F716-A752 HydrophobicContact CE1-CB 3.98Å; F716-A752 HydrophobicContact CZ-CB 4.22Å; M748-A752 WeakPolarHBondContact O-CB 3.48Å; M748-A752 PolarHBondContact O-N 2.95Å; Y749-A752 WeakPolarHBondContact O-CB 3.15Å; Y749-A752 PolarHBondContact O-N 3.08Å; Y749-A752 VanDerWaalsContact O-N 3.14Å; A752-R754 PolarHBondContact O-N 3.33Å; A752-V755 PolarHBondContact O-N 2.96Å; A752-V756 PolarHBondContact O-N 3.33Å; A752-F875 HydrophobicContact CB-CD2 4.04Å; A752-F875 HydrophobicContact CB-CE2 4.07Å
753	G	98.1	Very high	96.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.1	-43	173.5	0	0	0	0	0	112.4	Y749 E750 F751 V756 G757 F875 L879	Y749-G753 PolarHBondContact O-N 3.47Å; E750-G753 PolarHBondContact O-N 2.87Å; F751-G753 VanDerWaalsContact C-N 3.32Å; F751-G753 PolarHBondContact O-N 3.28Å; G753-V756 PolarHBondContact O-N 2.92Å; G753-G757 PolarHBondContact O-N 3Å; G753-F875 WeakPolarHBondContact CA-O 3.32Å; G753-L879 WeakPolarHBondContact O-CA 3.17Å
754	R	98.2	Very high	96.4	Very high	39 Å²	39	24.9 Å²	24.9	15%	0.147	11%	0.108	C	C	.	.	H	α-helix	trans	-63.4	-40.6	174.4	-70.8	-177.7	-176.1	103.4	2.2	112.7	W684 E750 F751 A752 G757 K758 G878 E881 L882	W684-R754 HydrophobicContact CD2-CB 4.16Å; W684-R754 VanDerWaalsContact CE2-CD 3.44Å; W684-R754 HydrophobicContact CE3-CB 4.04Å; W684-R754 HydrophobicContact CH2-CB 3.69Å; W684-R754 HydrophobicContact CZ2-CB 3.83Å; W684-R754 HydrophobicContact CZ2-CG 4.37Å; W684-R754 HydrophobicContact CZ3-CB 3.8Å; E750-R754 WeakPolarHBondContact O-CG 2.94Å; E750-R754 PolarHBondContact O-N 3.17Å; E750-R754 VanDerWaalsContact O-N 3.08Å; E750-R754 IonicContact OE1-CZ 3.4Å; E750-R754 IonicContact OE1-NH1 2.66Å; E750-R754 PolarHBondContact OE1-NH1 2.79Å; E750-R754 IonicContact OE1-NH2 3.12Å; E750-R754 PolarHBondContact OE1-NH2 3.35Å; F751-R754 WeakPolarHBondContact O-CB 3.5Å; F751-R754 PolarHBondContact O-N 2.98Å; F751-R754 VanDerWaalsContact O-N 3.16Å; A752-R754 PolarHBondContact O-N 3.33Å; R754-G757 PolarHBondContact O-N 3.18Å; R754-K758 WeakPolarHBondContact O-CB 3.33Å; R754-K758 PolarHBondContact O-N 2.98Å; R754-G878 WeakPolarHBondContact CG-O 3.34Å; R754-E881 IonicContact CZ-OE1 2.74Å; R754-E881 IonicContact CZ-OE2 2.76Å; R754-E881 IonicContact NE-OE1 2.67Å; R754-E881 IonicContact NE-OE2 2.67Å; R754-E881 PolarHBondContact NE-OE2 2.96Å; R754-E881 IonicContact NH2-OE1 2.69Å; R754-E881 PolarHBondContact NH2-OE1 2.95Å; R754-E881 IonicContact NH2-OE2 2.79Å; R754-E881 PolarHBondContact NH2-OE2 2.88Å; R754-L882 HydrophobicContact CB-CD1 4.3Å; R754-L882 HydrophobicContact CG-CD1 4.3Å
755	V	98.3	Very high	96.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.2	-45.4	175.9	170.6	0	0	0	0	110.5	W684 I711 L715 F751 A752 K758 C759	W684-V755 HydrophobicContact CH2-CG2 4.31Å; W684-V755 HydrophobicContact CZ3-CG2 4.42Å; I711-V755 HydrophobicContact CG2-CG1 3.96Å; L715-V755 HydrophobicContact CD1-CB 4.19Å; L715-V755 HydrophobicContact CD1-CG1 4.27Å; L715-V755 HydrophobicContact CD1-CG2 4.06Å; F751-V755 HydrophobicContact CD1-CG2 4.3Å; F751-V755 HydrophobicContact CE1-CG2 3.86Å; F751-V755 HydrophobicContact CE2-CG2 4.11Å; F751-V755 HydrophobicContact CZ-CG2 3.75Å; F751-V755 WeakPolarHBondContact O-CG2 3.31Å; F751-V755 PolarHBondContact O-N 3.44Å; A752-V755 PolarHBondContact O-N 2.96Å; V755-K758 WeakPolarHBondContact O-CB 3.49Å; V755-K758 PolarHBondContact O-N 3.17Å; V755-C759 PolarHBondContact O-N 2.59Å; V755-C759 PolarHBondContact O-SG 2.98Å; V755-C759 VanDerWaalsContact O-SG 3.35Å
756	V	98.3	Very high	95.4	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.8	-46.9	175.6	170.3	0	0	0	0	111.6	F716 A752 G753 K758 C759 L760 V773 F875 L879 M900	F716-V756 HydrophobicContact CE2-CG2 4.13Å; F716-V756 HydrophobicContact CZ-CG2 3.66Å; A752-V756 PolarHBondContact O-N 3.33Å; G753-V756 PolarHBondContact O-N 2.92Å; V756-K758 PolarHBondContact O-N 3Å; V756-C759 WeakPolarHBondContact O-CB 3.12Å; V756-C759 PolarHBondContact O-N 2.79Å; V756-C759 VanDerWaalsContact O-N 3.11Å; V756-L760 HydrophobicContact CG1-CD1 4.32Å; V756-L760 PolarHBondContact O-N 2.56Å; V756-V773 HydrophobicContact CB-CG2 4.48Å; V756-V773 HydrophobicContact CG1-CG2 4.26Å; V756-V773 HydrophobicContact CG2-CG1 4.22Å; V756-V773 HydrophobicContact CG2-CG2 4.09Å; V756-F875 HydrophobicContact CB-CZ 4.15Å; V756-F875 HydrophobicContact CG1-CZ 4.45Å; V756-F875 HydrophobicContact CG2-CE2 4.25Å; V756-F875 HydrophobicContact CG2-CZ 3.9Å; V756-L879 HydrophobicContact CB-CD1 4.49Å; V756-L879 HydrophobicContact CG1-CD1 4.05Å; V756-M900 HydrophobicContact CG1-CE 3.54Å; V756-M900 HydrophobicContact CG1-SD 4.2Å; V756-M900 HydrophobicContact CG2-CE 4.33Å
757	G	97.9	Very high	94.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.1	-35	175.7	0	0	0	0	0	112.4	G753 R754 Y761 L879	G753-G757 PolarHBondContact O-N 3Å; R754-G757 PolarHBondContact O-N 3.18Å; G757-Y761 WeakPolarHBondContact O-CB 3.23Å; G757-Y761 PolarHBondContact O-N 3.2Å; G757-L879 VanDerWaalsContact CA-CD1 3.48Å
758	K	97.6	Very high	93.3	Very high	0 Å²	0	17 Å²	17	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-68.6	-42.3	174.6	-178.9	60.8	166.7	175.8	0	112	W684 K686 F688 F708 R754 V755 V756 L760 Y761 E762 L882	W684-K758 HydrophobicContact CE3-CB 4.13Å; W684-K758 HydrophobicContact CE3-CG 4.42Å; W684-K758 HydrophobicContact CZ3-CB 4.3Å; W684-K758 WeakPolarHBondContact O-CD 3.49Å; W684-K758 VanDerWaalsContact O-CE 3.26Å; W684-K758 WeakPolarHBondContact O-CE 3.44Å; W684-K758 PolarHBondContact O-NZ 3.35Å; K686-K758 PolarHBondContact O-NZ 2.84Å; F688-K758 HydrophobicContact CE2-CG 4.47Å; F708-K758 HydrophobicContact CE1-CB 4.29Å; F708-K758 HydrophobicContact CE1-CG 3.74Å; F708-K758 HydrophobicContact CZ-CG 3.58Å; R754-K758 WeakPolarHBondContact O-CB 3.33Å; R754-K758 PolarHBondContact O-N 2.98Å; V755-K758 WeakPolarHBondContact O-CB 3.49Å; V755-K758 PolarHBondContact O-N 3.17Å; V756-K758 PolarHBondContact O-N 3Å; K758-L760 VanDerWaalsContact C-N 3.33Å; K758-L760 PolarHBondContact O-N 3.46Å; K758-Y761 HydrophobicContact CD-CD1 4.27Å; K758-Y761 PolarHBondContact O-N 3.04Å; K758-E762 HydrophobicContact CD-CG 4.01Å; K758-E762 VanDerWaalsContact CE-OE1 3.24Å; K758-E762 WeakPolarHBondContact CE-OE1 3.46Å; K758-E762 HydrophobicContact CG-CG 4.37Å; K758-E762 IonicContact NZ-OE1 2.96Å; K758-E762 PolarHBondContact NZ-OE1 3.14Å; K758-E762 WeakPolarHBondContact O-CB 3.4Å; K758-E762 WeakPolarHBondContact O-CG 3.25Å; K758-E762 PolarHBondContact O-N 2.79Å; K758-L882 HydrophobicContact CB-CD2 4.18Å; K758-L882 HydrophobicContact CD-CD2 4.29Å
759	C	97.4	Very high	92.7	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.014	14%	0.135	C	C	.	.	H	α-helix	trans	-58.2	-45.8	174	-70.5	0	0	0	0	111.8	F708 V755 V756 S763 Q771 V773	F708-C759 WeakPolarHBondContact CD1-SG 3.46Å; V755-C759 PolarHBondContact O-N 2.59Å; V755-C759 PolarHBondContact O-SG 2.98Å; V755-C759 VanDerWaalsContact O-SG 3.35Å; V756-C759 WeakPolarHBondContact O-CB 3.12Å; V756-C759 PolarHBondContact O-N 2.79Å; V756-C759 VanDerWaalsContact O-N 3.11Å; C759-S763 VanDerWaalsContact O-CB 3.3Å; C759-S763 WeakPolarHBondContact O-CB 3.36Å; C759-S763 PolarHBondContact O-N 3.4Å; C759-S763 PolarHBondContact O-OG 2.96Å; C759-Q771 HydrophobicContact CB-CB 4.29Å; C759-V773 HydrophobicContact CB-CG2 3.83Å
760	L	97.1	Very high	92.1	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-63.9	-44.7	177.6	-68.9	173.1	0	0	0	111.9	F643 V756 K758 S763 A764 L879 V883 L888 L899 M900	F643-L760 HydrophobicContact CE1-CB 4.44Å; F643-L760 HydrophobicContact CZ-CB 4.31Å; F643-L760 HydrophobicContact CZ-CD1 4.44Å; V756-L760 HydrophobicContact CG1-CD1 4.32Å; V756-L760 PolarHBondContact O-N 2.56Å; K758-L760 VanDerWaalsContact C-N 3.33Å; K758-L760 PolarHBondContact O-N 3.46Å; L760-S763 PolarHBondContact O-N 3.4Å; L760-A764 WeakPolarHBondContact O-CB 3.31Å; L760-A764 PolarHBondContact O-N 3.01Å; L760-L879 HydrophobicContact CD1-CD1 4.24Å; L760-V883 HydrophobicContact CB-CG2 4.01Å; L760-V883 HydrophobicContact CD1-CG2 4.1Å; L760-L888 HydrophobicContact CD1-CD2 4.2Å; L760-L899 HydrophobicContact CD2-CD1 4.45Å; L760-L899 HydrophobicContact CD2-CD2 3.93Å; L760-L899 HydrophobicContact CD2-CG 3.71Å; L760-M900 HydrophobicContact CD1-CG 4.44Å; L760-M900 HydrophobicContact CD2-CG 3.97Å; L760-M900 HydrophobicContact CG-CG 4.48Å
761	Y	96.3	Very high	91.8	Very high	8 Å²	8	25.2 Å²	25.2	3%	0.031	16%	0.156	C	C	.	.	H	α-helix	trans	-62.6	-48.3	176.9	170.8	-110.4	0	0	0	112.6	L647 H651 S685 G757 K758 S763 A764 L765	L647-Y761 HydrophobicContact CG-CD2 4.43Å; H651-Y761 HydrophobicContact CB-CD2 4.35Å; H651-Y761 HydrophobicContact CB-CE2 3.59Å; H651-Y761 AromaticContact CD2-CD2 3.59Å; H651-Y761 AromaticContact CD2-CE2 3.74Å; H651-Y761 AromaticContact CG-CD2 3.96Å; H651-Y761 AromaticContact CG-CE2 3.66Å; S685-Y761 WeakPolarHBondContact O-CE1 3.45Å; S685-Y761 PolarHBondContact O-OH 3Å; G757-Y761 WeakPolarHBondContact O-CB 3.23Å; G757-Y761 PolarHBondContact O-N 3.2Å; K758-Y761 HydrophobicContact CD-CD1 4.27Å; K758-Y761 PolarHBondContact O-N 3.04Å; Y761-S763 VanDerWaalsContact C-N 3.32Å; Y761-S763 PolarHBondContact O-N 3.32Å; Y761-A764 WeakPolarHBondContact O-CB 3.21Å; Y761-A764 PolarHBondContact O-N 3.4Å; Y761-L765 HydrophobicContact CE1-CD1 4.21Å; Y761-L765 HydrophobicContact CE2-CD2 4.36Å
762	E	93.7	Very high	91.4	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-61.5	-42.1	177.8	-71.5	-63.2	144.5	0	0	111.4	R656 F708 K758 A764 L765 Y769 Q771	R656-E762 IonicContact CZ-OE1 2.56Å; R656-E762 IonicContact CZ-OE2 3.08Å; R656-E762 IonicContact NH1-OE1 3.75Å; R656-E762 PolarHBondContact NH1-OE1 3.06Å; R656-E762 IonicContact NH1-OE2 3.33Å; R656-E762 PolarHBondContact NH1-OE2 3.44Å; R656-E762 IonicContact NH2-OE1 2.91Å; R656-E762 IonicContact NH2-OE2 3.32Å; R656-E762 PolarHBondContact NH2-OE2 3.03Å; F708-E762 HydrophobicContact CZ-CG 4.35Å; K758-E762 HydrophobicContact CD-CG 4.01Å; K758-E762 VanDerWaalsContact CE-OE1 3.24Å; K758-E762 WeakPolarHBondContact CE-OE1 3.46Å; K758-E762 HydrophobicContact CG-CG 4.37Å; K758-E762 IonicContact NZ-OE1 2.96Å; K758-E762 PolarHBondContact NZ-OE1 3.14Å; K758-E762 WeakPolarHBondContact O-CB 3.4Å; K758-E762 WeakPolarHBondContact O-CG 3.25Å; K758-E762 PolarHBondContact O-N 2.79Å; E762-A764 VanDerWaalsContact C-N 3.28Å; E762-A764 PolarHBondContact O-N 2.94Å; E762-L765 WeakPolarHBondContact O-CB 3.42Å; E762-L765 PolarHBondContact O-N 3.17Å; E762-L765 VanDerWaalsContact O-N 3.09Å; E762-Y769 WeakPolarHBondContact O-CB 3.48Å; E762-Q771 HydrophobicContact CB-CB 4.4Å; E762-Q771 HydrophobicContact CB-CG 3.79Å; E762-Q771 HydrophobicContact CG-CG 4.31Å
763	S	92.3	Very high	91.3	Very high	17 Å²	17	26.8 Å²	26.8	12%	0.119	17%	0.165	C	C	.	.	H	α-helix	trans	-64.5	-31.4	176.9	-63.7	0	0	0	0	113.2	C759 L760 Y761 L765 G766 Q771	C759-S763 VanDerWaalsContact O-CB 3.3Å; C759-S763 WeakPolarHBondContact O-CB 3.36Å; C759-S763 PolarHBondContact O-N 3.4Å; C759-S763 PolarHBondContact O-OG 2.96Å; L760-S763 PolarHBondContact O-N 3.4Å; Y761-S763 VanDerWaalsContact C-N 3.32Å; Y761-S763 PolarHBondContact O-N 3.32Å; S763-L765 PolarHBondContact O-N 3.03Å; S763-G766 PolarHBondContact O-N 3.15Å; S763-Q771 PolarHBondContact OG-N 3.3Å; S763-Q771 PolarHBondContact OG-O 3.25Å
764	A	93.4	Very high	90.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-12.5	174.8	0	0	0	0	0	113.9	Q644 L647 R648 L760 Y761 E762 G766	Q644-A764 HydrophobicContact CB-CB 3.78Å; Q644-A764 HydrophobicContact CG-CB 3.83Å; L647-A764 HydrophobicContact CB-CB 4.41Å; L647-A764 HydrophobicContact CD2-CB 4Å; R648-A764 VanDerWaalsContact CD-O 3.29Å; R648-A764 WeakPolarHBondContact CD-O 3.3Å; R648-A764 PolarHBondContact NH1-O 3.29Å; L760-A764 WeakPolarHBondContact O-CB 3.31Å; L760-A764 PolarHBondContact O-N 3.01Å; Y761-A764 WeakPolarHBondContact O-CB 3.21Å; Y761-A764 PolarHBondContact O-N 3.4Å; E762-A764 VanDerWaalsContact C-N 3.28Å; E762-A764 PolarHBondContact O-N 2.94Å; A764-G766 VanDerWaalsContact C-N 3.33Å
765	L	88.4	Confident	90.5	Very high	49 Å²	49	30.1 Å²	30.1	26%	0.257	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-6.7	178.8	-60.5	173.6	0	0	0	113.7	R648 Y761 E762 S763 Y769	R648-L765 HydrophobicContact CG-CD2 4.15Å; Y761-L765 HydrophobicContact CE1-CD1 4.21Å; Y761-L765 HydrophobicContact CE2-CD2 4.36Å; E762-L765 WeakPolarHBondContact O-CB 3.42Å; E762-L765 PolarHBondContact O-N 3.17Å; E762-L765 VanDerWaalsContact O-N 3.09Å; S763-L765 PolarHBondContact O-N 3.03Å; L765-Y769 HydrophobicContact CB-CD2 4.06Å; L765-Y769 HydrophobicContact CB-CG 4.36Å
766	G	78.6	Confident	90.1	Very high	29 Å²	29	31.7 Å²	31.7	30%	0.299	19%	0.185	S	C	.	.			trans	126.4	166.3	175.4	0	0	0	0	0	113.1	S763 A764 A768 Y769 K770	S763-G766 PolarHBondContact O-N 3.15Å; A764-G766 VanDerWaalsContact C-N 3.33Å; G766-A768 VanDerWaalsContact C-N 3.25Å; G766-A768 PolarHBondContact O-N 3.38Å; G766-A768 VanDerWaalsContact O-N 3.13Å; G766-Y769 PolarHBondContact O-N 3.32Å; G766-K770 PolarHBondContact O-N 3.39Å
767	G	74.3	Confident	89.9	Confident	71 Å²	71	31.7 Å²	31.7	73%	0.732	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-56.1	-33.4	-171.6	0	0	0	0	0	115	Y769 K770	G767-Y769 PolarHBondContact O-N 3.49Å; G767-K770 WeakPolarHBondContact O-CB 3.28Å; G767-K770 PolarHBondContact O-N 3.28Å
768	A	71.6	Confident	89.8	Confident	89 Å²	89	31.7 Å²	31.7	74%	0.736	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-66.7	-21.8	178.2	0	0	0	0	0	114	G766	G766-A768 VanDerWaalsContact C-N 3.25Å; G766-A768 PolarHBondContact O-N 3.38Å; G766-A768 VanDerWaalsContact O-N 3.13Å
769	Y	82.7	Confident	89.5	Confident	95 Å²	95	32.1 Å²	32.1	37%	0.373	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-103	-0.2	-178.9	-60.3	-78.4	0	0	0	113.1	E762 L765 G766 G767 Q771	E762-Y769 WeakPolarHBondContact O-CB 3.48Å; L765-Y769 HydrophobicContact CB-CD2 4.06Å; L765-Y769 HydrophobicContact CB-CG 4.36Å; G766-Y769 PolarHBondContact O-N 3.32Å; G767-Y769 PolarHBondContact O-N 3.49Å; Y769-Q771 WeakPolarHBondContact O-CG 3.34Å; Y769-Q771 PolarHBondContact O-N 2.67Å; Y769-Q771 PolarHBondContact O-NE2 2.84Å
770	K	85.6	Confident	89.3	Confident	108 Å²	108	32 Å²	32	47%	0.47	19%	0.186	S	C	.	.			trans	-51.8	119.9	-174.3	-169.2	169.8	-178.5	173.5	0	111.7	G766 G767 L772	G766-K770 PolarHBondContact O-N 3.39Å; G767-K770 WeakPolarHBondContact O-CB 3.28Å; G767-K770 PolarHBondContact O-N 3.28Å; K770-L772 HydrophobicContact CD-CD2 4.49Å; K770-L772 HydrophobicContact CG-CD2 4.21Å; K770-L772 HydrophobicContact CG-CG 4.36Å
771	Q	91.3	Very high	89.3	Confident	11 Å²	11	31.9 Å²	31.9	5%	0.051	19%	0.185	C	C	.	.			trans	-120.6	117.9	174.2	-56.5	-51.8	-42.3	0	0	108.1	F708 C759 E762 S763 Y769	F708-Q771 HydrophobicContact CD1-CB 4.43Å; F708-Q771 HydrophobicContact CD2-CB 4.11Å; F708-Q771 HydrophobicContact CD2-CG 3.56Å; F708-Q771 VanDerWaalsContact CD2-OE1 3.28Å; F708-Q771 HydrophobicContact CE2-CB 4.41Å; F708-Q771 HydrophobicContact CE2-CG 3.65Å; F708-Q771 HydrophobicContact CG-CB 4.13Å; F708-Q771 HydrophobicContact CG-CG 4.1Å; F708-Q771 HydrophobicContact CZ-CG 4.22Å; C759-Q771 HydrophobicContact CB-CB 4.29Å; E762-Q771 HydrophobicContact CB-CB 4.4Å; E762-Q771 HydrophobicContact CB-CG 3.79Å; E762-Q771 HydrophobicContact CG-CG 4.31Å; S763-Q771 PolarHBondContact OG-N 3.3Å; S763-Q771 PolarHBondContact OG-O 3.25Å; Y769-Q771 WeakPolarHBondContact O-CG 3.34Å; Y769-Q771 PolarHBondContact O-N 2.67Å; Y769-Q771 PolarHBondContact O-NE2 2.84Å
772	L	90.6	Very high	89.3	Confident	39 Å²	39	31.5 Å²	31.5	20%	0.204	18%	0.184	C	C	.	.			trans	-99.5	138.7	-178.4	-65	178.2	0	0	0	110.2	K770 R774	K770-L772 HydrophobicContact CD-CD2 4.49Å; K770-L772 HydrophobicContact CG-CD2 4.21Å; K770-L772 HydrophobicContact CG-CG 4.36Å; L772-R774 PolarHBondContact O-N 3.19Å
773	V	94.9	Very high	89.1	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.184	C	C	.	.			trans	-69.9	127.8	171.1	-176.8	0	0	0	0	108.5	F716 V756 C759 A775 F777 M900	F716-V773 HydrophobicContact CD2-CG1 4.18Å; F716-V773 HydrophobicContact CE2-CG1 3.83Å; V756-V773 HydrophobicContact CB-CG2 4.48Å; V756-V773 HydrophobicContact CG1-CG2 4.26Å; V756-V773 HydrophobicContact CG2-CG1 4.22Å; V756-V773 HydrophobicContact CG2-CG2 4.09Å; C759-V773 HydrophobicContact CB-CG2 3.83Å; V773-A775 HydrophobicContact CG1-CB 4.06Å; V773-A775 PolarHBondContact O-N 3.23Å; V773-F777 HydrophobicContact CG1-CE2 3.95Å; V773-F777 HydrophobicContact CG1-CZ 4.31Å; V773-M900 HydrophobicContact CB-CB 4.35Å; V773-M900 HydrophobicContact CG1-CE 4.47Å; V773-M900 HydrophobicContact CG2-CB 4.18Å; V773-M900 HydrophobicContact CG2-CE 4.34Å; V773-M900 PolarHBondContact N-O 2.98Å
774	R	90.5	Very high	89.1	Confident	100 Å²	100	31.6 Å²	31.6	38%	0.377	18%	0.182	S	C	.	.			trans	-96.7	80.6	175.9	-58.3	-56.5	-167.6	179.7	3.5	109.5	E709 C712 L772	E709-R774 HydrophobicContact CB-CG 4.42Å; E709-R774 HydrophobicContact CG-CG 4.22Å; C712-R774 HydrophobicContact CB-CB 3.79Å; C712-R774 HydrophobicContact CB-CG 4.42Å; L772-R774 PolarHBondContact O-N 3.19Å
775	A	90.1	Very high	89.1	Confident	9 Å²	9	31.7 Å²	31.7	7%	0.074	18%	0.183	C	C	.	.			trans	-157.2	150	177.6	0	0	0	0	0	110.9	F716 V773 F777 C901 Q956	F716-A775 HydrophobicContact CB-CB 3.66Å; F716-A775 HydrophobicContact CD2-CB 3.74Å; F716-A775 HydrophobicContact CG-CB 3.8Å; V773-A775 HydrophobicContact CG1-CB 4.06Å; V773-A775 PolarHBondContact O-N 3.23Å; A775-F777 HydrophobicContact CB-CD1 4.27Å; A775-F777 HydrophobicContact CB-CD2 4.01Å; A775-F777 HydrophobicContact CB-CE1 3.79Å; A775-F777 HydrophobicContact CB-CE2 3.52Å; A775-F777 HydrophobicContact CB-CG 4.36Å; A775-F777 HydrophobicContact CB-CZ 3.39Å; A775-C901 PolarHBondContact O-SG 3Å; A775-Q956 PolarHBondContact O-OE1 3.23Å
776	R	90.4	Very high	89.1	Confident	33 Å²	33	29.4 Å²	29.4	13%	0.125	17%	0.171	C	C	.	.			trans	-113.1	79	173.5	-66	178	71.6	-131.7	0.8	108.3	Q731 L733 V734 S954 Q956	Q731-R776 PolarHBondContact O-NH1 2.85Å; L733-R776 CarbonylContact C-O 3.59Å; L733-R776 VanDerWaalsContact CA-O 3.26Å; L733-R776 WeakPolarHBondContact CA-O 3.48Å; L733-R776 HydrophobicContact CD2-CB 3.97Å; V734-R776 PolarHBondContact N-O 3.33Å; R776-S954 PolarHBondContact NE-OG 2.88Å; R776-Q956 HydrophobicContact CG-CB 4.05Å; R776-Q956 PolarHBondContact NE-O 3.17Å
777	F	94.3	Very high	89.3	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-70.8	147.8	-174.8	-67.2	-60.2	0	0	0	112.3	F716 F723 V734 V773 A775 F781 L782 M900	F716-F777 HydrophobicContact CB-CE1 4.41Å; F716-F777 AromaticContact CD1-CE1 3.58Å; F716-F777 HydrophobicContact CD1-CE1 3.58Å; F716-F777 AromaticContact CD1-CZ 3.63Å; F716-F777 HydrophobicContact CD1-CZ 3.63Å; F716-F777 HydrophobicContact CD2-CZ 4.06Å; F716-F777 AromaticContact CE1-CE1 3.98Å; F716-F777 HydrophobicContact CE1-CE1 3.98Å; F716-F777 AromaticContact CE1-CZ 3.71Å; F716-F777 HydrophobicContact CE1-CZ 3.71Å; F716-F777 HydrophobicContact CE2-CZ 4.13Å; F716-F777 AromaticContact CG-CE1 3.97Å; F716-F777 HydrophobicContact CG-CE1 3.97Å; F716-F777 AromaticContact CG-CZ 3.83Å; F716-F777 HydrophobicContact CG-CZ 3.83Å; F716-F777 AromaticContact CZ-CZ 3.98Å; F716-F777 HydrophobicContact CZ-CZ 3.98Å; F723-F777 HydrophobicContact CD1-CE1 4.29Å; F723-F777 HydrophobicContact CE1-CD1 4.18Å; F723-F777 AromaticContact CE1-CE1 3.79Å; F723-F777 HydrophobicContact CE1-CE1 3.79Å; F723-F777 HydrophobicContact CZ-CE1 4.28Å; V734-F777 HydrophobicContact CG2-CD1 3.76Å; V734-F777 HydrophobicContact CG2-CE1 4.13Å; V734-F777 WeakPolarHBondContact O-CA 3.43Å; V773-F777 HydrophobicContact CG1-CE2 3.95Å; V773-F777 HydrophobicContact CG1-CZ 4.31Å; A775-F777 HydrophobicContact CB-CD1 4.27Å; A775-F777 HydrophobicContact CB-CD2 4.01Å; A775-F777 HydrophobicContact CB-CE1 3.79Å; A775-F777 HydrophobicContact CB-CE2 3.52Å; A775-F777 HydrophobicContact CB-CG 4.36Å; A775-F777 HydrophobicContact CB-CZ 3.39Å; F777-F781 HydrophobicContact CB-CD1 3.98Å; F777-F781 AromaticContact CD1-CD1 3.55Å; F777-F781 HydrophobicContact CD1-CD1 3.55Å; F777-F781 AromaticContact CD1-CE1 3.63Å; F777-F781 HydrophobicContact CD1-CE1 3.63Å; F777-F781 HydrophobicContact CE1-CD1 4.19Å; F777-F781 AromaticContact CE1-CE1 3.78Å; F777-F781 HydrophobicContact CE1-CE1 3.78Å; F777-F781 AromaticContact CG-CD1 3.8Å; F777-F781 HydrophobicContact CG-CD1 3.8Å; F777-F781 HydrophobicContact CG-CE1 4.09Å; F777-F781 HydrophobicContact CZ-CE1 4.33Å; F777-L782 HydrophobicContact CB-CD1 4.36Å; F777-L782 HydrophobicContact CB-CD2 3.93Å; F777-L782 HydrophobicContact CB-CG 3.96Å; F777-L782 HydrophobicContact CD2-CD2 4.08Å; F777-L782 HydrophobicContact CG-CD2 4.35Å; F777-M900 HydrophobicContact CD2-CE 3.93Å; F777-M900 HydrophobicContact CE2-CE 3.51Å
778	T	94.6	Very high	89.7	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.15	C	C	.	.			trans	-58.8	146.8	167.4	49.1	0	0	0	0	111.4	F726 L733 V734 H735 S780 F781 L782 D798	F726-T778 HydrophobicContact CD2-CG2 4.3Å; F726-T778 HydrophobicContact CE2-CG2 4.15Å; L733-T778 HydrophobicContact CB-CG2 3.68Å; V734-T778 PolarHBondContact O-N 3.33Å; V734-T778 PolarHBondContact O-OG1 2.82Å; H735-T778 HydrophobicContact CB-CG2 3.83Å; H735-T778 PolarHBondContact ND1-OG1 2.82Å; T778-S780 VanDerWaalsContact C-N 3.33Å; T778-S780 PolarHBondContact O-N 2.83Å; T778-F781 PolarHBondContact O-N 2.79Å; T778-F781 VanDerWaalsContact O-N 3.14Å; T778-F781 WeakPolarHBondContact OG1-CB 3.48Å; T778-F781 PolarHBondContact OG1-N 2.97Å; T778-L782 PolarHBondContact O-N 3.44Å; T778-L782 VanDerWaalsContact O-N 3.16Å; T778-D798 WeakPolarHBondContact CA-OD1 3.41Å; T778-D798 VanDerWaalsContact CB-CG 3.43Å; T778-D798 WeakPolarHBondContact CB-OD1 3.14Å; T778-D798 WeakPolarHBondContact CB-OD2 3.36Å; T778-D798 HydrophobicContact CG2-CB 3.88Å
779	R	91.4	Very high	90.2	Very high	9 Å²	9	29.3 Å²	29.3	3%	0.034	14%	0.135	C	C	.	.	H	α-helix	trans	-63.2	-39.8	178.3	-66.3	-65.3	172.2	-156.6	-2.2	111.7	F781 L782 A783 Y794 T797 D798 E893 N894 E897 G953	R779-F781 VanDerWaalsContact C-N 3.31Å; R779-F781 PolarHBondContact O-N 3.21Å; R779-L782 PolarHBondContact O-N 2.92Å; R779-A783 WeakPolarHBondContact O-CB 3.3Å; R779-A783 PolarHBondContact O-N 3.09Å; R779-Y794 HydrophobicContact CB-CD1 3.74Å; R779-Y794 HydrophobicContact CB-CE1 4.2Å; R779-T797 HydrophobicContact CG-CG2 4.22Å; R779-T797 VanDerWaalsContact CG-OG1 3.32Å; R779-T797 WeakPolarHBondContact CG-OG1 3.47Å; R779-D798 PolarHBondContact N-OD1 3.07Å; R779-D798 PolarHBondContact N-OD2 2.7Å; R779-E893 PolarHBondContact NH1-O 3.29Å; R779-N894 PolarHBondContact NE-OD1 3.39Å; R779-N894 PolarHBondContact NH1-OD1 3.39Å; R779-N894 VanDerWaalsContact NH1-OD1 3.14Å; R779-N894 PolarHBondContact NH2-OD1 3.05Å; R779-E897 IonicContact CZ-OE2 3.43Å; R779-E897 VanDerWaalsContact CZ-OE2 3.27Å; R779-E897 IonicContact NH1-OE2 3.28Å; R779-E897 PolarHBondContact NH1-OE2 3.48Å; R779-E897 IonicContact NH2-OE1 2.75Å; R779-E897 IonicContact NH2-OE2 2.68Å; R779-E897 PolarHBondContact NH2-OE2 2.98Å; R779-G953 VanDerWaalsContact CZ-O 3.27Å; R779-G953 PolarHBondContact NE-O 2.9Å; R779-G953 VanDerWaalsContact NE-O 3.13Å; R779-G953 VanDerWaalsContact NH2-C 3.35Å; R779-G953 PolarHBondContact NH2-O 3.28Å
780	S	93.8	Very high	90.5	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-58.7	-37.7	173.3	56.8	0	0	0	0	113.4	T778 Q784 M790 D798	T778-S780 VanDerWaalsContact C-N 3.33Å; T778-S780 PolarHBondContact O-N 2.83Å; S780-Q784 WeakPolarHBondContact O-CB 3.49Å; S780-Q784 VanDerWaalsContact O-CG 3.24Å; S780-Q784 WeakPolarHBondContact O-CG 3.25Å; S780-Q784 PolarHBondContact O-N 3.45Å; S780-Q784 PolarHBondContact O-NE2 2.82Å; S780-Q784 VanDerWaalsContact O-NE2 3.09Å; S780-M790 VanDerWaalsContact CB-SD 3.57Å; S780-D798 WeakPolarHBondContact CB-OD2 3.49Å; S780-D798 PolarHBondContact N-OD2 3.15Å; S780-D798 PolarHBondContact OG-OD2 3.31Å
781	F	97	Very high	90.5	Very high	1 Å²	1	20.4 Å²	20.4	0%	0.004	10%	0.099	C	C	.	.	H	α-helix	trans	-69.6	-40.9	176.2	179.2	-118.6	0	0	0	111.8	F723 P736 F777 T778 R779 Q784 I785 V872 F875	F723-F781 HydrophobicContact CE1-CD1 4.48Å; F723-F781 AromaticContact CE1-CE1 3.97Å; F723-F781 HydrophobicContact CE1-CE1 3.97Å; F723-F781 HydrophobicContact CE1-CZ 4.07Å; F723-F781 HydrophobicContact CZ-CE1 4.38Å; F723-F781 HydrophobicContact CZ-CZ 4.2Å; P736-F781 HydrophobicContact CG-CD2 3.51Å; P736-F781 HydrophobicContact CG-CE2 3.49Å; P736-F781 VanDerWaalsContact CG-CE2 3.49Å; P736-F781 HydrophobicContact CG-CG 4.27Å; P736-F781 HydrophobicContact CG-CZ 4.23Å; F777-F781 HydrophobicContact CB-CD1 3.98Å; F777-F781 AromaticContact CD1-CD1 3.55Å; F777-F781 HydrophobicContact CD1-CD1 3.55Å; F777-F781 AromaticContact CD1-CE1 3.63Å; F777-F781 HydrophobicContact CD1-CE1 3.63Å; F777-F781 HydrophobicContact CE1-CD1 4.19Å; F777-F781 AromaticContact CE1-CE1 3.78Å; F777-F781 HydrophobicContact CE1-CE1 3.78Å; F777-F781 AromaticContact CG-CD1 3.8Å; F777-F781 HydrophobicContact CG-CD1 3.8Å; F777-F781 HydrophobicContact CG-CE1 4.09Å; F777-F781 HydrophobicContact CZ-CE1 4.33Å; T778-F781 PolarHBondContact O-N 2.79Å; T778-F781 VanDerWaalsContact O-N 3.14Å; T778-F781 WeakPolarHBondContact OG1-CB 3.48Å; T778-F781 PolarHBondContact OG1-N 2.97Å; R779-F781 VanDerWaalsContact C-N 3.31Å; R779-F781 PolarHBondContact O-N 3.21Å; F781-Q784 WeakPolarHBondContact O-CB 3.46Å; F781-Q784 PolarHBondContact O-N 3.33Å; F781-I785 HydrophobicContact CD1-CD1 4.03Å; F781-I785 HydrophobicContact CE1-CD1 3.66Å; F781-I785 HydrophobicContact CE1-CG1 4.44Å; F781-I785 HydrophobicContact CE2-CD1 4.48Å; F781-I785 HydrophobicContact CE2-CG1 4.43Å; F781-I785 HydrophobicContact CZ-CD1 3.91Å; F781-I785 HydrophobicContact CZ-CG1 4.28Å; F781-I785 WeakPolarHBondContact O-CG1 3.42Å; F781-I785 PolarHBondContact O-N 3.24Å; F781-V872 HydrophobicContact CD2-CG2 4.1Å; F781-V872 HydrophobicContact CE2-CG2 4.02Å; F781-F875 HydrophobicContact CE1-CE1 4.37Å; F781-F875 HydrophobicContact CE1-CZ 4.29Å; F781-F875 HydrophobicContact CE2-CD1 4.37Å; F781-F875 AromaticContact CZ-CD1 3.8Å; F781-F875 HydrophobicContact CZ-CD1 3.8Å; F781-F875 HydrophobicContact CZ-CD2 4.14Å; F781-F875 AromaticContact CZ-CE1 3.81Å; F781-F875 HydrophobicContact CZ-CE1 3.81Å; F781-F875 HydrophobicContact CZ-CE2 4.13Å; F781-F875 AromaticContact CZ-CG 3.97Å; F781-F875 HydrophobicContact CZ-CG 3.97Å; F781-F875 AromaticContact CZ-CZ 3.97Å; F781-F875 HydrophobicContact CZ-CZ 3.97Å
782	L	94.9	Very high	90.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.2	-43.9	174.1	-64.2	175	0	0	0	111.1	F777 T778 R779 Q784 I785 I786 E893 L896 E897 M900	F777-L782 HydrophobicContact CB-CD1 4.36Å; F777-L782 HydrophobicContact CB-CD2 3.93Å; F777-L782 HydrophobicContact CB-CG 3.96Å; F777-L782 HydrophobicContact CD2-CD2 4.08Å; F777-L782 HydrophobicContact CG-CD2 4.35Å; T778-L782 PolarHBondContact O-N 3.44Å; T778-L782 VanDerWaalsContact O-N 3.16Å; R779-L782 PolarHBondContact O-N 2.92Å; L782-Q784 VanDerWaalsContact C-N 3.3Å; L782-Q784 PolarHBondContact O-N 2.92Å; L782-I785 HydrophobicContact CD2-CD1 4.32Å; L782-I785 WeakPolarHBondContact O-CB 3.45Å; L782-I785 PolarHBondContact O-N 3.44Å; L782-I785 VanDerWaalsContact O-N 3.1Å; L782-I786 WeakPolarHBondContact O-CG1 3.22Å; L782-I786 PolarHBondContact O-N 2.92Å; L782-I786 VanDerWaalsContact O-N 3.16Å; L782-E893 HydrophobicContact CB-CB 4.01Å; L782-E893 HydrophobicContact CB-CG 4.41Å; L782-E893 WeakPolarHBondContact CD1-O 3.14Å; L782-L896 HydrophobicContact CB-CD2 4.14Å; L782-L896 HydrophobicContact CD2-CD2 3.96Å; L782-L896 HydrophobicContact CD2-CG 4.3Å; L782-E897 HydrophobicContact CD1-CB 3.85Å; L782-E897 HydrophobicContact CD1-CG 4.44Å; L782-M900 HydrophobicContact CD2-SD 4.37Å
783	A	90.2	Very high	90.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-56.4	-42.6	172.5	0	0	0	0	0	111.8	R779 I786 G787 L788 M790 Y794 E893	R779-A783 WeakPolarHBondContact O-CB 3.3Å; R779-A783 PolarHBondContact O-N 3.09Å; A783-I786 VanDerWaalsContact O-CG1 3.22Å; A783-I786 WeakPolarHBondContact O-CG1 2.96Å; A783-I786 PolarHBondContact O-N 3.14Å; A783-G787 PolarHBondContact O-N 3.29Å; A783-L788 HydrophobicContact CB-CB 4.13Å; A783-L788 PolarHBondContact O-N 2.98Å; A783-M790 HydrophobicContact CB-CE 3.64Å; A783-Y794 HydrophobicContact CB-CE1 4.26Å; A783-Y794 HydrophobicContact CB-CE2 4.11Å; A783-Y794 WeakPolarHBondContact CB-OH 3.28Å; A783-E893 HydrophobicContact CB-CG 3.71Å
784	Q	93.3	Very high	90	Very high	20 Å²	20	24 Å²	24	9%	0.093	11%	0.111	C	C	.	.	H	α-helix	trans	-65.3	-37.3	174.9	-75.3	171.1	84.5	0	0	113.1	S780 F781 L782 I786 G787 M790 L864 A865 V872	S780-Q784 WeakPolarHBondContact O-CB 3.49Å; S780-Q784 VanDerWaalsContact O-CG 3.24Å; S780-Q784 WeakPolarHBondContact O-CG 3.25Å; S780-Q784 PolarHBondContact O-N 3.45Å; S780-Q784 PolarHBondContact O-NE2 2.82Å; S780-Q784 VanDerWaalsContact O-NE2 3.09Å; F781-Q784 WeakPolarHBondContact O-CB 3.46Å; F781-Q784 PolarHBondContact O-N 3.33Å; L782-Q784 VanDerWaalsContact C-N 3.3Å; L782-Q784 PolarHBondContact O-N 2.92Å; Q784-I786 VanDerWaalsContact C-N 3.31Å; Q784-I786 PolarHBondContact O-N 3.37Å; Q784-G787 WeakPolarHBondContact O-CA 3.34Å; Q784-G787 PolarHBondContact O-N 3.39Å; Q784-M790 HydrophobicContact CG-CE 3.76Å; Q784-M790 HydrophobicContact CG-SD 4.04Å; Q784-L864 PolarHBondContact NE2-O 2.69Å; Q784-A865 HydrophobicContact CG-CB 4.17Å; Q784-V872 HydrophobicContact CB-CG1 4.09Å
785	I	93.6	Very high	90.1	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.01	9%	0.093	C	C	.	.	H	α-helix	trans	-60.6	-43.7	176.7	-72.2	166.4	0	0	0	110.8	F781 L782 G787 F875 L876 L879 L888 L896	F781-I785 HydrophobicContact CD1-CD1 4.03Å; F781-I785 HydrophobicContact CE1-CD1 3.66Å; F781-I785 HydrophobicContact CE1-CG1 4.44Å; F781-I785 HydrophobicContact CE2-CD1 4.48Å; F781-I785 HydrophobicContact CE2-CG1 4.43Å; F781-I785 HydrophobicContact CZ-CD1 3.91Å; F781-I785 HydrophobicContact CZ-CG1 4.28Å; F781-I785 WeakPolarHBondContact O-CG1 3.42Å; F781-I785 PolarHBondContact O-N 3.24Å; L782-I785 HydrophobicContact CD2-CD1 4.32Å; L782-I785 WeakPolarHBondContact O-CB 3.45Å; L782-I785 PolarHBondContact O-N 3.44Å; L782-I785 VanDerWaalsContact O-N 3.1Å; I785-G787 VanDerWaalsContact C-N 3.32Å; I785-F875 HydrophobicContact CD1-CD1 4.44Å; I785-F875 HydrophobicContact CD1-CE1 3.67Å; I785-F875 HydrophobicContact CD1-CZ 4.34Å; I785-F875 HydrophobicContact CG1-CD1 4.29Å; I785-F875 HydrophobicContact CG1-CE1 3.95Å; I785-L876 HydrophobicContact CB-CD2 4.41Å; I785-L876 HydrophobicContact CG1-CD2 4.47Å; I785-L876 HydrophobicContact CG2-CD2 4.27Å; I785-L879 HydrophobicContact CG2-CD2 3.73Å; I785-L888 HydrophobicContact CG2-CD1 4.1Å; I785-L896 HydrophobicContact CB-CD2 4.1Å; I785-L896 HydrophobicContact CG2-CD2 3.93Å
786	I	87.8	Confident	90	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.01	10%	0.095	C	C	.	.	H	α-helix	trans	-76.9	-24.3	175.5	53.8	179.3	0	0	0	111	R577 L782 A783 Q784 L788 L888 F891 E893 L896	R577-I786 PolarHBondContact NH1-O 3.38Å; R577-I786 VanDerWaalsContact NH2-C 3.35Å; R577-I786 PolarHBondContact NH2-O 2.95Å; L782-I786 WeakPolarHBondContact O-CG1 3.22Å; L782-I786 PolarHBondContact O-N 2.92Å; L782-I786 VanDerWaalsContact O-N 3.16Å; A783-I786 VanDerWaalsContact O-CG1 3.22Å; A783-I786 WeakPolarHBondContact O-CG1 2.96Å; A783-I786 PolarHBondContact O-N 3.14Å; Q784-I786 VanDerWaalsContact C-N 3.31Å; Q784-I786 PolarHBondContact O-N 3.37Å; I786-L788 HydrophobicContact CD1-CD1 3.46Å; I786-L788 VanDerWaalsContact CD1-CD1 3.46Å; I786-L788 HydrophobicContact CD1-CG 3.87Å; I786-L788 HydrophobicContact CG1-CD1 4.06Å; I786-L788 HydrophobicContact CG1-CG 3.95Å; I786-L888 HydrophobicContact CG2-CB 4.16Å; I786-L888 WeakPolarHBondContact CG2-O 3.33Å; I786-F891 WeakPolarHBondContact CD1-O 3.16Å; I786-E893 HydrophobicContact CD1-CG 4.35Å; I786-L896 HydrophobicContact CG2-CD2 3.87Å
787	G	82.2	Confident	89.8	Confident	39 Å²	39	19.3 Å²	19.3	40%	0.402	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.7	25.8	175.4	0	0	0	0	0	114.5	R577 A783 Q784 I785	R577-G787 PolarHBondContact NH2-O 2.95Å; A783-G787 PolarHBondContact O-N 3.29Å; Q784-G787 WeakPolarHBondContact O-CA 3.34Å; Q784-G787 PolarHBondContact O-N 3.39Å; I785-G787 VanDerWaalsContact C-N 3.32Å
788	L	82.9	Confident	89.7	Confident	36 Å²	36	19.6 Å²	19.6	19%	0.188	10%	0.097	C	C	.	.	P	Polyproline II helix	trans	-74.6	158.3	173.2	-66.6	177.1	0	0	0	110.6	I604 A783 I786 M790 E893	I604-L788 HydrophobicContact CD1-CD2 4.42Å; A783-L788 HydrophobicContact CB-CB 4.13Å; A783-L788 PolarHBondContact O-N 2.98Å; I786-L788 HydrophobicContact CD1-CD1 3.46Å; I786-L788 VanDerWaalsContact CD1-CD1 3.46Å; I786-L788 HydrophobicContact CD1-CG 3.87Å; I786-L788 HydrophobicContact CG1-CD1 4.06Å; I786-L788 HydrophobicContact CG1-CG 3.95Å; L788-M790 WeakPolarHBondContact O-CE 3.46Å; L788-E893 VanDerWaalsContact CD1-OE1 3.24Å; L788-E893 WeakPolarHBondContact CD1-OE1 3.07Å
789	R	82.3	Confident	89.5	Confident	111 Å²	111	20.3 Å²	20.3	42%	0.419	10%	0.101	S	C	.	.	P	Polyproline II helix	trans	-79.6	151.8	174.5	-72.4	-180	175.5	178.4	-2.8	110.2	I604	I604-R789 HydrophobicContact CG2-CB 4.04Å
790	M	88.4	Confident	89.2	Confident	5 Å²	5	22.2 Å²	22.2	3%	0.025	11%	0.11	C	C	.	.	P	Polyproline II helix	trans	-75.9	142	177.3	-58.3	-59.9	87.8	0	0	111.2	S780 A783 Q784 L788 Y794 A860 Q861 L864 A865	S780-M790 VanDerWaalsContact CB-SD 3.57Å; A783-M790 HydrophobicContact CB-CE 3.64Å; Q784-M790 HydrophobicContact CG-CE 3.76Å; Q784-M790 HydrophobicContact CG-SD 4.04Å; L788-M790 WeakPolarHBondContact O-CE 3.46Å; M790-Y794 HydrophobicContact CE-CD2 4.5Å; M790-Y794 HydrophobicContact CE-CE2 4.02Å; M790-Y794 HydrophobicContact SD-CD2 4.19Å; M790-Y794 HydrophobicContact SD-CE2 4.31Å; M790-A860 HydrophobicContact CB-CB 4.18Å; M790-Q861 HydrophobicContact CB-CB 4.25Å; M790-L864 HydrophobicContact CG-CB 4.43Å; M790-L864 HydrophobicContact SD-CB 4.25Å; M790-A865 HydrophobicContact CG-CB 3.63Å; M790-A865 HydrophobicContact SD-CB 4.21Å
791	N	85.8	Confident	88.9	Confident	12 Å²	12	28.7 Å²	28.7	6%	0.064	14%	0.14	C	C	.	.			trans	-124.8	146.9	175.1	-175.7	-41	0	0	0	108.6	I604 K793 Y794 N857	I604-N791 HydrophobicContact CG2-CB 4.45Å; N791-K793 PolarHBondContact O-N 3.06Å; N791-K793 VanDerWaalsContact O-N 3.1Å; N791-K793 WeakPolarHBondContact OD1-CG 3.17Å; N791-K793 PolarHBondContact OD1-N 3.1Å; N791-Y794 HydrophobicContact CB-CD2 4.31Å; N791-Y794 HydrophobicContact CB-CE2 4.19Å; N791-Y794 WeakPolarHBondContact O-CD2 3.34Å; N791-Y794 PolarHBondContact O-N 3.12Å; N791-N857 WeakPolarHBondContact CA-OD1 3.38Å; N791-N857 PolarHBondContact OD1-OD1 3.46Å
792	Y	89.1	Confident	88.6	Confident	35 Å²	35	29.7 Å²	29.7	14%	0.137	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-55.1	-26	174.7	73.3	-100.1	0	0	0	113.6	Y794 F795 Y803 V807 L811 I853 L856 N857	Y792-Y794 PolarHBondContact O-N 3.06Å; Y792-F795 WeakPolarHBondContact O-CB 3.47Å; Y792-F795 WeakPolarHBondContact O-CD2 3.38Å; Y792-F795 PolarHBondContact O-N 3.48Å; Y792-F795 VanDerWaalsContact O-N 3.08Å; Y792-Y803 HydrophobicContact CD2-CE2 4.41Å; Y792-V807 HydrophobicContact CD2-CG1 3.77Å; Y792-V807 HydrophobicContact CG-CG1 4.32Å; Y792-L811 HydrophobicContact CD2-CD1 4.2Å; Y792-L811 HydrophobicContact CE2-CD1 3.73Å; Y792-L811 HydrophobicContact CE2-CD2 4.3Å; Y792-I853 HydrophobicContact CE1-CD1 4.39Å; Y792-I853 HydrophobicContact CE1-CG2 4.13Å; Y792-L856 HydrophobicContact CD1-CB 4.05Å; Y792-L856 HydrophobicContact CG-CB 4.09Å; Y792-L856 HydrophobicContact CG-CD1 4.49Å; Y792-N857 VanDerWaalsContact CD1-OD1 3.25Å; Y792-N857 WeakPolarHBondContact CD1-OD1 3.28Å; Y792-N857 PolarHBondContact N-OD1 3.24Å; Y792-N857 VanDerWaalsContact N-OD1 3.14Å
793	K	87.3	Confident	88.4	Confident	63 Å²	63	31.4 Å²	31.4	27%	0.274	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-58.8	-28.4	176.4	-68	-176.9	-176.6	-175	0	112.8	N791 F795 E796 F1016	N791-K793 PolarHBondContact O-N 3.06Å; N791-K793 VanDerWaalsContact O-N 3.1Å; N791-K793 WeakPolarHBondContact OD1-CG 3.17Å; N791-K793 PolarHBondContact OD1-N 3.1Å; K793-F795 PolarHBondContact O-N 2.91Å; K793-E796 VanDerWaalsContact O-CB 3.3Å; K793-E796 WeakPolarHBondContact O-CB 3.47Å; K793-E796 PolarHBondContact O-N 3.35Å; K793-E796 VanDerWaalsContact O-N 3.09Å; K793-F1016 PolarHBondContact NZ-O 3.42Å
794	Y	90.7	Very high	88.3	Confident	26 Å²	26	35 Å²	35	10%	0.102	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-65.5	-24.3	176.9	-64	-52.3	0	0	0	113.2	R779 A783 M790 N791 Y792 E796 T797 D798 E893	R779-Y794 HydrophobicContact CB-CD1 3.74Å; R779-Y794 HydrophobicContact CB-CE1 4.2Å; A783-Y794 HydrophobicContact CB-CE1 4.26Å; A783-Y794 HydrophobicContact CB-CE2 4.11Å; A783-Y794 WeakPolarHBondContact CB-OH 3.28Å; M790-Y794 HydrophobicContact CE-CD2 4.5Å; M790-Y794 HydrophobicContact CE-CE2 4.02Å; M790-Y794 HydrophobicContact SD-CD2 4.19Å; M790-Y794 HydrophobicContact SD-CE2 4.31Å; N791-Y794 HydrophobicContact CB-CD2 4.31Å; N791-Y794 HydrophobicContact CB-CE2 4.19Å; N791-Y794 WeakPolarHBondContact O-CD2 3.34Å; N791-Y794 PolarHBondContact O-N 3.12Å; Y792-Y794 PolarHBondContact O-N 3.06Å; Y794-E796 PolarHBondContact O-N 3.39Å; Y794-T797 PolarHBondContact O-N 3.18Å; Y794-T797 PolarHBondContact O-OG1 3.44Å; Y794-D798 VanDerWaalsContact O-CB 3.26Å; Y794-D798 WeakPolarHBondContact O-CB 3.48Å; Y794-D798 VanDerWaalsContact O-CG 3.24Å; Y794-D798 PolarHBondContact O-N 3.49Å; Y794-E893 HydrophobicContact CE1-CG 4.44Å; Y794-E893 PolarHBondContact OH-OE1 3.23Å
795	F	92.2	Very high	88.1	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.6	-30.4	174	-69.6	-59.9	0	0	0	111.6	Y792 K793 T797 D798 D799 Q800 F802 Y803 V807 A860 R863 L864	Y792-F795 WeakPolarHBondContact O-CB 3.47Å; Y792-F795 WeakPolarHBondContact O-CD2 3.38Å; Y792-F795 PolarHBondContact O-N 3.48Å; Y792-F795 VanDerWaalsContact O-N 3.08Å; K793-F795 PolarHBondContact O-N 2.91Å; F795-T797 PolarHBondContact O-N 2.96Å; F795-D798 PolarHBondContact O-N 3.32Å; F795-D799 HydrophobicContact CD1-CB 4.14Å; F795-D799 CarbonylContact O-C 3.56Å; F795-D799 WeakPolarHBondContact O-CA 3.41Å; F795-D799 PolarHBondContact O-N 3.12Å; F795-Q800 PolarHBondContact O-N 2.87Å; F795-F802 AromaticContact CD1-CD1 3.75Å; F795-F802 HydrophobicContact CD1-CD1 3.75Å; F795-F802 HydrophobicContact CD1-CE1 4.25Å; F795-F802 HydrophobicContact CD2-CD1 4.17Å; F795-F802 HydrophobicContact CD2-CE1 4.2Å; F795-F802 AromaticContact CE1-CD1 3.79Å; F795-F802 HydrophobicContact CE1-CD1 3.79Å; F795-F802 AromaticContact CE1-CE1 3.88Å; F795-F802 HydrophobicContact CE1-CE1 3.88Å; F795-F802 HydrophobicContact CE2-CD1 4.21Å; F795-F802 AromaticContact CE2-CE1 3.83Å; F795-F802 HydrophobicContact CE2-CE1 3.83Å; F795-F802 AromaticContact CG-CD1 3.95Å; F795-F802 HydrophobicContact CG-CD1 3.95Å; F795-F802 HydrophobicContact CG-CE1 4.4Å; F795-F802 HydrophobicContact CZ-CD1 4.01Å; F795-F802 AromaticContact CZ-CE1 3.64Å; F795-F802 HydrophobicContact CZ-CE1 3.64Å; F795-Y803 HydrophobicContact CB-CD2 3.97Å; F795-Y803 HydrophobicContact CB-CG 4.37Å; F795-V807 HydrophobicContact CB-CG2 4.43Å; F795-V807 HydrophobicContact CD2-CG2 3.8Å; F795-V807 HydrophobicContact CE2-CG2 4.39Å; F795-V807 HydrophobicContact CG-CG2 4.35Å; F795-A860 HydrophobicContact CD2-CB 4.29Å; F795-A860 HydrophobicContact CE2-CB 3.59Å; F795-A860 HydrophobicContact CZ-CB 4.03Å; F795-R863 HydrophobicContact CE1-CB 4.23Å; F795-R863 HydrophobicContact CZ-CB 4.18Å; F795-L864 HydrophobicContact CD1-CD1 4.03Å; F795-L864 HydrophobicContact CD1-CD2 4.04Å; F795-L864 HydrophobicContact CD1-CG 4.27Å; F795-L864 HydrophobicContact CE1-CD1 3.91Å; F795-L864 HydrophobicContact CE1-CD2 3.72Å; F795-L864 HydrophobicContact CE1-CG 3.76Å; F795-L864 HydrophobicContact CG-CD1 4.49Å; F795-L864 HydrophobicContact CZ-CD1 4.29Å; F795-L864 HydrophobicContact CZ-CG 4.22Å
796	E	87.4	Confident	88.1	Confident	21 Å²	21	41.3 Å²	41.3	10%	0.098	20%	0.202	C	C	.	.	H	α-helix	trans	-59.7	-33.5	179.2	-171.3	177	-173.7	0	0	112.7	K793 Y794 Q800 Y803 T985 C986	K793-E796 VanDerWaalsContact O-CB 3.3Å; K793-E796 WeakPolarHBondContact O-CB 3.47Å; K793-E796 PolarHBondContact O-N 3.35Å; K793-E796 VanDerWaalsContact O-N 3.09Å; Y794-E796 PolarHBondContact O-N 3.39Å; E796-Q800 WeakPolarHBondContact O-CG 3.42Å; E796-Y803 HydrophobicContact CB-CD1 3.81Å; E796-Y803 HydrophobicContact CB-CD2 4.13Å; E796-Y803 HydrophobicContact CB-CE1 3.76Å; E796-Y803 HydrophobicContact CB-CE2 4.11Å; E796-Y803 HydrophobicContact CB-CG 3.99Å; E796-Y803 HydrophobicContact CG-CD1 3.83Å; E796-Y803 HydrophobicContact CG-CE1 3.62Å; E796-T985 PolarHBondContact O-OG1 3.36Å; E796-C986 PolarHBondContact O-SG 3.13Å
797	T	86.8	Confident	88.3	Confident	24 Å²	24	41.2 Å²	41.2	15%	0.147	20%	0.201	C	C	.	.	H	α-helix	trans	-95.4	-39.8	175.9	55.3	0	0	0	0	112.6	R779 Y794 F795 T985	R779-T797 HydrophobicContact CG-CG2 4.22Å; R779-T797 VanDerWaalsContact CG-OG1 3.32Å; R779-T797 WeakPolarHBondContact CG-OG1 3.47Å; Y794-T797 PolarHBondContact O-N 3.18Å; Y794-T797 PolarHBondContact O-OG1 3.44Å; F795-T797 PolarHBondContact O-N 2.96Å; T797-T985 HydrophobicContact CG2-CG2 4.47Å
798	D	91.6	Very high	88.8	Confident	6 Å²	6	40.8 Å²	40.8	3%	0.032	19%	0.192	C	C	.	.	H	α-helix	trans	-88	-39.6	-165.6	-60.8	-9	0	0	0	112.4	F726 T778 R779 S780 Y794 F795	F726-D798 WeakPolarHBondContact CB-O 3.5Å; F726-D798 HydrophobicContact CD2-CB 4.31Å; F726-D798 WeakPolarHBondContact CD2-O 3.46Å; F726-D798 HydrophobicContact CE2-CB 4.37Å; T778-D798 WeakPolarHBondContact CA-OD1 3.41Å; T778-D798 VanDerWaalsContact CB-CG 3.43Å; T778-D798 WeakPolarHBondContact CB-OD1 3.14Å; T778-D798 WeakPolarHBondContact CB-OD2 3.36Å; T778-D798 HydrophobicContact CG2-CB 3.88Å; R779-D798 PolarHBondContact N-OD1 3.07Å; R779-D798 PolarHBondContact N-OD2 2.7Å; S780-D798 WeakPolarHBondContact CB-OD2 3.49Å; S780-D798 PolarHBondContact N-OD2 3.15Å; S780-D798 PolarHBondContact OG-OD2 3.31Å; Y794-D798 VanDerWaalsContact O-CB 3.26Å; Y794-D798 WeakPolarHBondContact O-CB 3.48Å; Y794-D798 VanDerWaalsContact O-CG 3.24Å; Y794-D798 PolarHBondContact O-N 3.49Å; F795-D798 PolarHBondContact O-N 3.32Å
799	D	91.1	Very high	89.2	Confident	14 Å²	14	44 Å²	44	8%	0.075	21%	0.205	C	C	.	.			trans	-138.8	75.5	179.4	-169.7	-13.5	0	0	0	110.4	F726 F795 E801 F802 Y803	F726-D799 HydrophobicContact CB-CB 3.77Å; F726-D799 HydrophobicContact CD1-CB 4.46Å; F726-D799 HydrophobicContact CD2-CB 4.42Å; F726-D799 HydrophobicContact CG-CB 3.99Å; F795-D799 HydrophobicContact CD1-CB 4.14Å; F795-D799 CarbonylContact O-C 3.56Å; F795-D799 WeakPolarHBondContact O-CA 3.41Å; F795-D799 PolarHBondContact O-N 3.12Å; D799-E801 PolarHBondContact O-N 3.25Å; D799-F802 HydrophobicContact CB-CB 4.07Å; D799-F802 PolarHBondContact O-N 2.97Å; D799-F802 WeakPolarHBondContact OD1-CB 3.26Å; D799-F802 PolarHBondContact OD1-N 3.32Å; D799-F802 VanDerWaalsContact OD2-CB 3.31Å; D799-F802 WeakPolarHBondContact OD2-CB 3.41Å; D799-Y803 PolarHBondContact O-N 3.3Å
800	Q	85.6	Confident	89.8	Confident	49 Å²	49	38.9 Å²	38.9	23%	0.229	19%	0.186	C	C	.	.	H	α-helix	trans	-59.2	-34.4	-172.3	-57.6	-175.1	-7.4	0	0	113.1	F795 E796 K804 C986	F795-Q800 PolarHBondContact O-N 2.87Å; E796-Q800 WeakPolarHBondContact O-CG 3.42Å; Q800-K804 VanDerWaalsContact O-CG 3.27Å; Q800-K804 WeakPolarHBondContact O-CG 3.38Å; Q800-K804 PolarHBondContact O-N 3.44Å; Q800-K804 VanDerWaalsContact O-N 3.12Å; Q800-C986 HydrophobicContact CB-CB 4.22Å; Q800-C986 VanDerWaalsContact CD-CA 3.47Å; Q800-C986 HydrophobicContact CG-CB 4.33Å; Q800-C986 PolarHBondContact OE1-O 3.32Å
801	E	87.1	Confident	89.9	Confident	136 Å²	136	40.5 Å²	40.5	64%	0.636	19%	0.194	S	C	*	.	H	α-helix	trans	-71.6	-46.1	-180	-175.9	173.5	-177	0	0	110.6	D799 Y803 K804 T805	D799-E801 PolarHBondContact O-N 3.25Å; E801-Y803 VanDerWaalsContact C-N 3.3Å; E801-Y803 PolarHBondContact O-N 2.68Å; E801-K804 PolarHBondContact O-N 2.68Å; E801-T805 HydrophobicContact CG-CG2 4.45Å; E801-T805 WeakPolarHBondContact O-CB 3.47Å; E801-T805 WeakPolarHBondContact O-CG2 3.31Å; E801-T805 PolarHBondContact O-N 2.83Å; E801-T805 PolarHBondContact O-OG1 2.93Å
802	F	91.3	Very high	90.1	Very high	23 Å²	23	46.1 Å²	46.1	10%	0.101	22%	0.224	C	C	.	.	H	α-helix	trans	-62.4	-38.8	175.2	-172.4	-98.2	0	0	0	112.3	F795 D799 K806 V807 L859	F795-F802 AromaticContact CD1-CD1 3.75Å; F795-F802 HydrophobicContact CD1-CD1 3.75Å; F795-F802 HydrophobicContact CD1-CE1 4.25Å; F795-F802 HydrophobicContact CD2-CD1 4.17Å; F795-F802 HydrophobicContact CD2-CE1 4.2Å; F795-F802 AromaticContact CE1-CD1 3.79Å; F795-F802 HydrophobicContact CE1-CD1 3.79Å; F795-F802 AromaticContact CE1-CE1 3.88Å; F795-F802 HydrophobicContact CE1-CE1 3.88Å; F795-F802 HydrophobicContact CE2-CD1 4.21Å; F795-F802 AromaticContact CE2-CE1 3.83Å; F795-F802 HydrophobicContact CE2-CE1 3.83Å; F795-F802 AromaticContact CG-CD1 3.95Å; F795-F802 HydrophobicContact CG-CD1 3.95Å; F795-F802 HydrophobicContact CG-CE1 4.4Å; F795-F802 HydrophobicContact CZ-CD1 4.01Å; F795-F802 AromaticContact CZ-CE1 3.64Å; F795-F802 HydrophobicContact CZ-CE1 3.64Å; D799-F802 HydrophobicContact CB-CB 4.07Å; D799-F802 PolarHBondContact O-N 2.97Å; D799-F802 WeakPolarHBondContact OD1-CB 3.26Å; D799-F802 PolarHBondContact OD1-N 3.32Å; D799-F802 VanDerWaalsContact OD2-CB 3.31Å; D799-F802 WeakPolarHBondContact OD2-CB 3.41Å; F802-K806 HydrophobicContact CE2-CB 4.32Å; F802-K806 HydrophobicContact CE2-CD 3.72Å; F802-K806 HydrophobicContact CZ-CB 4.45Å; F802-K806 HydrophobicContact CZ-CD 3.73Å; F802-K806 PolarHBondContact O-N 3.27Å; F802-V807 HydrophobicContact CD1-CG2 3.93Å; F802-V807 HydrophobicContact CE1-CG2 3.95Å; F802-V807 PolarHBondContact O-N 3.42Å; F802-L859 HydrophobicContact CE1-CD2 4.07Å; F802-L859 HydrophobicContact CZ-CD2 3.81Å; F802-L859 HydrophobicContact CZ-CG 4.31Å
803	Y	90.7	Very high	90.3	Very high	35 Å²	35	47.8 Å²	47.8	14%	0.137	24%	0.235	C	C	.	.	I	π-helix	trans	-59.6	-53.1	175.3	-175.5	-110.3	0	0	0	111.6	Y792 F795 E796 D799 E801 T805 V807 C808	Y792-Y803 HydrophobicContact CD2-CE2 4.41Å; F795-Y803 HydrophobicContact CB-CD2 3.97Å; F795-Y803 HydrophobicContact CB-CG 4.37Å; E796-Y803 HydrophobicContact CB-CD1 3.81Å; E796-Y803 HydrophobicContact CB-CD2 4.13Å; E796-Y803 HydrophobicContact CB-CE1 3.76Å; E796-Y803 HydrophobicContact CB-CE2 4.11Å; E796-Y803 HydrophobicContact CB-CG 3.99Å; E796-Y803 HydrophobicContact CG-CD1 3.83Å; E796-Y803 HydrophobicContact CG-CE1 3.62Å; D799-Y803 PolarHBondContact O-N 3.3Å; E801-Y803 VanDerWaalsContact C-N 3.3Å; E801-Y803 PolarHBondContact O-N 2.68Å; Y803-T805 PolarHBondContact O-N 3.47Å; Y803-V807 HydrophobicContact CD2-CB 3.75Å; Y803-V807 HydrophobicContact CD2-CG1 3.68Å; Y803-V807 HydrophobicContact CD2-CG2 4.26Å; Y803-V807 HydrophobicContact CE2-CB 4.27Å; Y803-V807 HydrophobicContact CE2-CG1 3.74Å; Y803-V807 HydrophobicContact CG-CB 4.48Å; Y803-V807 WeakPolarHBondContact O-CB 3.36Å; Y803-V807 PolarHBondContact O-N 3.34Å; Y803-C808 WeakPolarHBondContact CE1-SG 3.24Å; Y803-C808 PolarHBondContact O-N 3.15Å; Y803-C808 PolarHBondContact O-SG 2.97Å; Y803-C808 VanDerWaalsContact O-SG 3.39Å
804	K	87.1	Confident	90.5	Very high	77 Å²	77	49.5 Å²	49.5	34%	0.335	25%	0.248	S	C	.	.	I	π-helix	trans	-62.1	-43.2	-178.7	-72.2	172.1	-168.3	174.3	0	112.8	Q800 E801 C986 F987	Q800-K804 VanDerWaalsContact O-CG 3.27Å; Q800-K804 WeakPolarHBondContact O-CG 3.38Å; Q800-K804 PolarHBondContact O-N 3.44Å; Q800-K804 VanDerWaalsContact O-N 3.12Å; E801-K804 PolarHBondContact O-N 2.68Å; K804-C986 PolarHBondContact NZ-O 2.83Å; K804-C986 VanDerWaalsContact NZ-O 3.13Å; K804-F987 HydrophobicContact CD-CE2 4.4Å; K804-F987 HydrophobicContact CD-CZ 3.95Å
805	T	89.9	Confident	90.6	Very high	90 Å²	90	48.3 Å²	48.3	55%	0.552	24%	0.243	S	C	*	.	I	π-helix	trans	-83.3	-47	-169.8	54.4	0	0	0	0	112.9	E801 Y803 F809	E801-T805 HydrophobicContact CG-CG2 4.45Å; E801-T805 WeakPolarHBondContact O-CB 3.47Å; E801-T805 WeakPolarHBondContact O-CG2 3.31Å; E801-T805 PolarHBondContact O-N 2.83Å; E801-T805 PolarHBondContact O-OG1 2.93Å; Y803-T805 PolarHBondContact O-N 3.47Å; T805-F809 VanDerWaalsContact O-CB 3.29Å; T805-F809 WeakPolarHBondContact O-CB 3.38Å
806	K	92.5	Very high	90.4	Very high	64 Å²	64	52 Å²	52	28%	0.278	27%	0.269	S	S	.	.	I	π-helix	trans	-103.4	-48.8	-174.3	-167.8	173.1	-177.3	178.8	0	112.5	F802 F809 I810	F802-K806 HydrophobicContact CE2-CB 4.32Å; F802-K806 HydrophobicContact CE2-CD 3.72Å; F802-K806 HydrophobicContact CZ-CB 4.45Å; F802-K806 HydrophobicContact CZ-CD 3.73Å; F802-K806 PolarHBondContact O-N 3.27Å; K806-F809 PolarHBondContact O-N 3.45Å; K806-I810 HydrophobicContact CG-CD1 3.98Å; K806-I810 VanDerWaalsContact O-CG1 3.29Å; K806-I810 WeakPolarHBondContact O-CG1 3.16Å; K806-I810 PolarHBondContact O-N 3.5Å; K806-I810 VanDerWaalsContact O-N 3.08Å
807	V	93.3	Very high	90.5	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.305	C	S	.	.	I	π-helix	trans	-68.6	-53.3	-173.2	-178.7	0	0	0	0	111.2	Y792 F795 F802 Y803 F809 I810 L811 L856	Y792-V807 HydrophobicContact CD2-CG1 3.77Å; Y792-V807 HydrophobicContact CG-CG1 4.32Å; F795-V807 HydrophobicContact CB-CG2 4.43Å; F795-V807 HydrophobicContact CD2-CG2 3.8Å; F795-V807 HydrophobicContact CE2-CG2 4.39Å; F795-V807 HydrophobicContact CG-CG2 4.35Å; F802-V807 HydrophobicContact CD1-CG2 3.93Å; F802-V807 HydrophobicContact CE1-CG2 3.95Å; F802-V807 PolarHBondContact O-N 3.42Å; Y803-V807 HydrophobicContact CD2-CB 3.75Å; Y803-V807 HydrophobicContact CD2-CG1 3.68Å; Y803-V807 HydrophobicContact CD2-CG2 4.26Å; Y803-V807 HydrophobicContact CE2-CB 4.27Å; Y803-V807 HydrophobicContact CE2-CG1 3.74Å; Y803-V807 HydrophobicContact CG-CB 4.48Å; Y803-V807 WeakPolarHBondContact O-CB 3.36Å; Y803-V807 PolarHBondContact O-N 3.34Å; V807-F809 PolarHBondContact O-N 2.88Å; V807-I810 PolarHBondContact O-N 3.43Å; V807-L811 HydrophobicContact CG1-CD1 3.93Å; V807-L811 HydrophobicContact CG1-CG 4.41Å; V807-L811 WeakPolarHBondContact O-CG 3.2Å; V807-L811 PolarHBondContact O-N 2.8Å; V807-L856 HydrophobicContact CB-CD2 4.48Å; V807-L856 HydrophobicContact CG1-CD1 4.23Å; V807-L856 HydrophobicContact CG1-CD2 4.19Å; V807-L856 HydrophobicContact CG2-CD2 4.36Å
808	C	91	Very high	90.6	Very high	30 Å²	30	61.1 Å²	61.1	20%	0.203	31%	0.31	C	S	.	.	H	α-helix	trans	-60.8	-35.5	177.8	-68.3	0	0	0	0	112.2	Y803 L811 N812	Y803-C808 WeakPolarHBondContact CE1-SG 3.24Å; Y803-C808 PolarHBondContact O-N 3.15Å; Y803-C808 PolarHBondContact O-SG 2.97Å; Y803-C808 VanDerWaalsContact O-SG 3.39Å; C808-L811 PolarHBondContact O-N 2.84Å; C808-N812 WeakPolarHBondContact O-CB 3.44Å; C808-N812 PolarHBondContact O-N 3.25Å; C808-N812 PolarHBondContact O-ND2 3.47Å; C808-N812 VanDerWaalsContact O-ND2 3.14Å
809	F	91.9	Very high	90.5	Very high	104 Å²	104	68 Å²	68	46%	0.456	35%	0.347	S	S	.	.	H	α-helix	trans	-63.1	-48.9	176.7	-174.9	-102.4	0	0	0	111.3	T805 K806 V807 L811 N812 N813 M818	T805-F809 VanDerWaalsContact O-CB 3.29Å; T805-F809 WeakPolarHBondContact O-CB 3.38Å; K806-F809 PolarHBondContact O-N 3.45Å; V807-F809 PolarHBondContact O-N 2.88Å; F809-L811 VanDerWaalsContact C-N 3.35Å; F809-L811 PolarHBondContact O-N 2.91Å; F809-N812 PolarHBondContact O-N 3.47Å; F809-N813 VanDerWaalsContact CD2-ND2 3.34Å; F809-N813 WeakPolarHBondContact CD2-ND2 3.29Å; F809-N813 VanDerWaalsContact O-CB 3.31Å; F809-N813 WeakPolarHBondContact O-CB 3.43Å; F809-N813 PolarHBondContact O-N 2.8Å; F809-N813 PolarHBondContact O-ND2 2.83Å; F809-M818 HydrophobicContact CD1-CE 3.69Å; F809-M818 HydrophobicContact CD1-SD 4.01Å; F809-M818 HydrophobicContact CE1-CE 3.14Å; F809-M818 HydrophobicContact CE1-SD 3.6Å; F809-M818 VanDerWaalsContact CE1-SD 3.6Å; F809-M818 HydrophobicContact CZ-CE 3.81Å
810	I	94.1	Very high	90.6	Very high	3 Å²	3	69 Å²	69	2%	0.015	35%	0.353	C	S	.	.	H	α-helix	trans	-63.4	-40.2	177.3	-69.6	172.7	0	0	0	111.7	K806 V807 V815 L820 K852 Y855 L856	K806-I810 HydrophobicContact CG-CD1 3.98Å; K806-I810 VanDerWaalsContact O-CG1 3.29Å; K806-I810 WeakPolarHBondContact O-CG1 3.16Å; K806-I810 PolarHBondContact O-N 3.5Å; K806-I810 VanDerWaalsContact O-N 3.08Å; V807-I810 PolarHBondContact O-N 3.43Å; I810-V815 HydrophobicContact CB-CG1 4.49Å; I810-V815 HydrophobicContact CG2-CG1 3.93Å; I810-L820 HydrophobicContact CD1-CD1 3.72Å; I810-L820 HydrophobicContact CG1-CD1 3.98Å; I810-K852 HydrophobicContact CG2-CB 4.08Å; I810-K852 HydrophobicContact CG2-CD 4.38Å; I810-K852 WeakPolarHBondContact O-CD 3.47Å; I810-K852 PolarHBondContact O-NZ 2.86Å; I810-Y855 HydrophobicContact CD1-CD1 4.45Å; I810-Y855 HydrophobicContact CD1-CE1 3.78Å; I810-L856 HydrophobicContact CB-CD1 4.46Å; I810-L856 HydrophobicContact CB-CD2 4.26Å; I810-L856 HydrophobicContact CD1-CD2 4.02Å; I810-L856 HydrophobicContact CG2-CD1 3.89Å; I810-L856 HydrophobicContact CG2-CD2 4.03Å; I810-L856 HydrophobicContact CG2-CG 3.99Å
811	L	90.8	Very high	91.1	Very high	39 Å²	39	69.1 Å²	69.1	20%	0.204	36%	0.356	C	S	.	.	H	α-helix	trans	-62.3	-44.8	179.1	-73.3	172.1	0	0	0	111.9	Y792 V807 C808 F809 K852 I853 L856	Y792-L811 HydrophobicContact CD2-CD1 4.2Å; Y792-L811 HydrophobicContact CE2-CD1 3.73Å; Y792-L811 HydrophobicContact CE2-CD2 4.3Å; V807-L811 HydrophobicContact CG1-CD1 3.93Å; V807-L811 HydrophobicContact CG1-CG 4.41Å; V807-L811 WeakPolarHBondContact O-CG 3.2Å; V807-L811 PolarHBondContact O-N 2.8Å; C808-L811 PolarHBondContact O-N 2.84Å; F809-L811 VanDerWaalsContact C-N 3.35Å; F809-L811 PolarHBondContact O-N 2.91Å; L811-K852 PolarHBondContact O-NZ 3.44Å; L811-I853 HydrophobicContact CD2-CD1 3.39Å; L811-L856 HydrophobicContact CD2-CD1 3.56Å; L811-L856 HydrophobicContact CG-CD1 3.77Å
812	N	91.6	Very high	91.5	Very high	130 Å²	130	62.8 Å²	62.8	70%	0.695	33%	0.326	S	S	*	.	H	α-helix	trans	-96.1	-7.4	-168.4	-62.4	-32	0	0	0	114.7	C808 F809	C808-N812 WeakPolarHBondContact O-CB 3.44Å; C808-N812 PolarHBondContact O-N 3.25Å; C808-N812 PolarHBondContact O-ND2 3.47Å; C808-N812 VanDerWaalsContact O-ND2 3.14Å; F809-N812 PolarHBondContact O-N 3.47Å
813	N	92.4	Very high	91.7	Very high	70 Å²	70	62.2 Å²	62.2	37%	0.374	33%	0.326	S	S	.	.	S	Bend	trans	-119.9	162.4	-179.4	-60.8	-86.5	0	0	0	111.7	F809 M818 K852	F809-N813 VanDerWaalsContact CD2-ND2 3.34Å; F809-N813 WeakPolarHBondContact CD2-ND2 3.29Å; F809-N813 VanDerWaalsContact O-CB 3.31Å; F809-N813 WeakPolarHBondContact O-CB 3.43Å; F809-N813 PolarHBondContact O-N 2.8Å; F809-N813 PolarHBondContact O-ND2 2.83Å; N813-M818 HydrophobicContact CB-CE 3.78Å; N813-K852 PolarHBondContact O-NZ 3.47Å
814	D	91.7	Very high	91.8	Very high	99 Å²	99	61.3 Å²	61.3	53%	0.529	32%	0.323	S	S	.	.			trans	-74.1	125.5	170.5	-166.4	-31.5	0	0	0	109.8	S816 M818 N849	D814-S816 VanDerWaalsContact OD1-CB 3.27Å; D814-S816 WeakPolarHBondContact OD1-CB 3.49Å; D814-S816 PolarHBondContact OD1-N 2.74Å; D814-S816 PolarHBondContact OD1-OG 3.25Å; D814-M818 WeakPolarHBondContact O-CE 3.32Å; D814-N849 PolarHBondContact OD1-ND2 3.41Å; D814-N849 PolarHBondContact OD2-ND2 3.47Å
815	V	92.9	Very high	91.9	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.006	33%	0.33	C	S	.	.			trans	-91.9	-3.4	-175.5	-60.2	0	0	0	0	114.1	I810 E817 M818 V847 N849 K852	I810-V815 HydrophobicContact CB-CG1 4.49Å; I810-V815 HydrophobicContact CG2-CG1 3.93Å; V815-E817 PolarHBondContact O-N 3.49Å; V815-E817 VanDerWaalsContact O-N 3.14Å; V815-M818 HydrophobicContact CB-SD 4.23Å; V815-M818 HydrophobicContact CG1-CE 4.16Å; V815-M818 HydrophobicContact CG1-SD 3.98Å; V815-M818 WeakPolarHBondContact O-CB 3.35Å; V815-M818 PolarHBondContact O-N 2.77Å; V815-V847 HydrophobicContact CG2-CG1 4.21Å; V815-N849 PolarHBondContact N-OD1 2.83Å; V815-K852 HydrophobicContact CG1-CB 4.48Å; V815-K852 HydrophobicContact CG1-CD 4.1Å; V815-K852 HydrophobicContact CG2-CB 4.38Å; V815-K852 HydrophobicContact CG2-CD 4.46Å
816	S	87.6	Confident	91.7	Very high	78 Å²	78	61.4 Å²	61.4	55%	0.545	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-27.9	-171.3	-53.9	0	0	0	0	113.7	D814	D814-S816 VanDerWaalsContact OD1-CB 3.27Å; D814-S816 WeakPolarHBondContact OD1-CB 3.49Å; D814-S816 PolarHBondContact OD1-N 2.74Å; D814-S816 PolarHBondContact OD1-OG 3.25Å
817	E	88.6	Confident	91.3	Very high	184 Å²	184	64.7 Å²	64.7	86%	0.86	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	4.8	179.7	-60.4	-177.8	175.4	0	0	113.5	V815	V815-E817 PolarHBondContact O-N 3.49Å; V815-E817 VanDerWaalsContact O-N 3.14Å
818	M	89.1	Confident	90.8	Very high	52 Å²	52	70.8 Å²	70.8	26%	0.256	36%	0.355	S	S	.	.	S	Bend	trans	-88.8	-2.4	-174.1	-61.1	-170.7	-168.4	0	0	114	F809 N813 D814 V815 L820	F809-M818 HydrophobicContact CD1-CE 3.69Å; F809-M818 HydrophobicContact CD1-SD 4.01Å; F809-M818 HydrophobicContact CE1-CE 3.14Å; F809-M818 HydrophobicContact CE1-SD 3.6Å; F809-M818 VanDerWaalsContact CE1-SD 3.6Å; F809-M818 HydrophobicContact CZ-CE 3.81Å; N813-M818 HydrophobicContact CB-CE 3.78Å; D814-M818 WeakPolarHBondContact O-CE 3.32Å; V815-M818 HydrophobicContact CB-SD 4.23Å; V815-M818 HydrophobicContact CG1-CE 4.16Å; V815-M818 HydrophobicContact CG1-SD 3.98Å; V815-M818 WeakPolarHBondContact O-CB 3.35Å; V815-M818 PolarHBondContact O-N 2.77Å; M818-L820 HydrophobicContact CB-CD1 4.06Å; M818-L820 HydrophobicContact CB-CG 3.82Å; M818-L820 PolarHBondContact O-N 2.94Å; M818-L820 HydrophobicContact SD-CD1 4.09Å
819	D	89.3	Confident	90.5	Very high	151 Å²	151	75.3 Å²	75.3	81%	0.807	39%	0.387	S	S	*	.			trans	47	29.7	-175.9	-67.7	-34.5	0	0	0	114
820	L	94.4	Very high	90.2	Very high	35 Å²	35	73.7 Å²	73.7	18%	0.183	40%	0.401	C	S	.	.			trans	-72.2	136.1	177.4	-69.7	176.1	0	0	0	109.3	I810 M818 V847 Y855	I810-L820 HydrophobicContact CD1-CD1 3.72Å; I810-L820 HydrophobicContact CG1-CD1 3.98Å; M818-L820 HydrophobicContact CB-CD1 4.06Å; M818-L820 HydrophobicContact CB-CG 3.82Å; M818-L820 PolarHBondContact O-N 2.94Å; M818-L820 HydrophobicContact SD-CD1 4.09Å; L820-V847 HydrophobicContact CB-CB 3.74Å; L820-V847 HydrophobicContact CB-CG2 3.75Å; L820-V847 WeakPolarHBondContact O-CG2 3.38Å; L820-V847 PolarHBondContact O-N 3Å; L820-Y855 HydrophobicContact CD1-CE1 4.5Å
821	V	95.8	Very high	89.9	Confident	50 Å²	50	80.7 Å²	80.7	30%	0.303	43%	0.433	S	S	.	.	B	Isolated β-bridge	trans	-121.7	165.5	173.3	-64.6	0	0	0	0	110.2	A823 I845 Y855	V821-A823 HydrophobicContact CG2-CB 4.07Å; V821-A823 PolarHBondContact O-N 3.34Å; V821-I845 VanDerWaalsContact CA-O 3.28Å; V821-I845 WeakPolarHBondContact CA-O 2.99Å; V821-Y855 VanDerWaalsContact O-CE2 3.25Å; V821-Y855 WeakPolarHBondContact O-CE2 3.19Å
822	F	95.8	Very high	89.8	Confident	3 Å²	3	83 Å²	83	1%	0.013	45%	0.445	C	S	.	.	S	Bend	trans	-75.9	49.7	175.6	-77	-110.9	0	0	0	112.1	L838 I839 G842 I845 V847 N851 H854 Y855 L858	F822-L838 WeakPolarHBondContact O-CB 3.19Å; F822-L838 PolarHBondContact O-N 3.27Å; F822-I839 HydrophobicContact CB-CD1 3.95Å; F822-I839 HydrophobicContact CB-CG1 3.76Å; F822-I839 HydrophobicContact CD1-CD1 3.67Å; F822-I839 HydrophobicContact CD1-CG1 4.06Å; F822-I839 HydrophobicContact CE1-CD1 4.34Å; F822-I839 HydrophobicContact CG-CD1 3.87Å; F822-I839 HydrophobicContact CG-CG1 4.19Å; F822-G842 CarbonylContact C-O 3.52Å; F822-G842 WeakPolarHBondContact CA-O 3.13Å; F822-G842 WeakPolarHBondContact CB-O 3.07Å; F822-G842 PolarHBondContact N-O 2.64Å; F822-G842 CarbonylContact O-C 3.58Å; F822-G842 WeakPolarHBondContact O-CA 3.35Å; F822-I845 HydrophobicContact CD2-CB 4.08Å; F822-I845 HydrophobicContact CD2-CG2 3.62Å; F822-I845 WeakPolarHBondContact CD2-O 3.42Å; F822-I845 HydrophobicContact CE2-CG2 3.88Å; F822-I845 HydrophobicContact CG-CG2 4.36Å; F822-I845 PolarHBondContact N-O 3Å; F822-I845 VanDerWaalsContact N-O 3.13Å; F822-V847 HydrophobicContact CD2-CG2 3.82Å; F822-V847 HydrophobicContact CE2-CB 4.44Å; F822-V847 HydrophobicContact CE2-CG2 3.8Å; F822-N851 HydrophobicContact CZ-CB 4.11Å; F822-H854 AromaticContact CE1-CD2 3.6Å; F822-Y855 HydrophobicContact CD1-CD2 4.41Å; F822-Y855 HydrophobicContact CG-CD2 4.38Å; F822-L858 HydrophobicContact CD1-CD1 3.67Å; F822-L858 HydrophobicContact CE1-CD1 3.81Å
823	A	94.6	Very high	89.8	Confident	11 Å²	11	81.3 Å²	81.3	9%	0.091	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	154.7	175.1	0	0	0	0	0	110.7	V821 V835 V836 E837 A843	V821-A823 HydrophobicContact CG2-CB 4.07Å; V821-A823 PolarHBondContact O-N 3.34Å; A823-V835 HydrophobicContact CB-CG1 3.77Å; A823-V836 CarbonylContact C-O 3.52Å; A823-V836 VanDerWaalsContact CA-O 3.29Å; A823-V836 WeakPolarHBondContact CA-O 3.09Å; A823-E837 HydrophobicContact CB-CG 4.49Å; A823-A843 HydrophobicContact CB-CB 4.19Å
824	E	92.8	Very high	89.7	Confident	17 Å²	17	84.2 Å²	84.2	8%	0.079	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	131.9	177.4	-170.7	176.3	164.5	0	0	111.2	V836 L859 Y862 R863	E824-V836 PolarHBondContact N-O 2.91Å; E824-V836 PolarHBondContact O-N 3.28Å; E824-L859 HydrophobicContact CB-CD1 4.46Å; E824-L859 HydrophobicContact CG-CD1 4.4Å; E824-L859 WeakPolarHBondContact OE2-CD1 3.45Å; E824-Y862 HydrophobicContact CB-CD1 4.49Å; E824-Y862 HydrophobicContact CB-CE1 4.23Å; E824-Y862 HydrophobicContact CG-CE1 4.37Å; E824-Y862 WeakPolarHBondContact OE2-CD1 3.27Å; E824-Y862 WeakPolarHBondContact OE2-CE1 3.45Å; E824-R863 IonicContact OE1-CZ 3.77Å; E824-R863 IonicContact OE1-NE 2.9Å; E824-R863 IonicContact OE1-NH1 3.39Å; E824-R863 PolarHBondContact OE1-NH1 3.28Å; E824-R863 WeakPolarHBondContact OE2-CG 3.14Å
825	E	90.3	Very high	89.7	Confident	101 Å²	101	82.5 Å²	82.5	47%	0.472	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	120.9	175.8	-62.9	-174.2	162.8	0	0	110.6	Y827 L832 V835	E825-Y827 HydrophobicContact CB-CD2 4.24Å; E825-Y827 HydrophobicContact CB-CE2 3.54Å; E825-Y827 WeakPolarHBondContact OE2-CE2 3.4Å; E825-Y827 PolarHBondContact OE2-OH 3.18Å; E825-L832 HydrophobicContact CB-CD1 3.64Å; E825-L832 HydrophobicContact CG-CD1 4.01Å; E825-V835 HydrophobicContact CG-CG2 4.29Å
826	K	86.1	Confident	89.7	Confident	68 Å²	68	83.8 Å²	83.8	30%	0.296	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	123.7	172.7	-171.5	170.9	178.7	168.7	0	109.1	D739 E833 K834	D739-K826 IonicContact OD1-NZ 3.23Å; K826-E833 WeakPolarHBondContact CE-OE2 3.24Å; K826-E833 WeakPolarHBondContact O-CB 3.48Å; K826-E833 PolarHBondContact O-N 3.48Å; K826-K834 PolarHBondContact N-O 3.4Å; K826-K834 PolarHBondContact O-N 3.17Å
827	Y	84.1	Confident	90	Very high	133 Å²	133	83.9 Å²	83.9	52%	0.522	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	141	177.2	-70.1	-96.1	0	0	0	110.7	E825 Q831 L832	E825-Y827 HydrophobicContact CB-CD2 4.24Å; E825-Y827 HydrophobicContact CB-CE2 3.54Å; E825-Y827 WeakPolarHBondContact OE2-CE2 3.4Å; E825-Y827 PolarHBondContact OE2-OH 3.18Å; Y827-Q831 CarbonylContact C-O 3.53Å; Y827-Q831 VanDerWaalsContact CA-O 3.27Å; Y827-Q831 WeakPolarHBondContact CA-O 3.48Å; Y827-L832 HydrophobicContact CD1-CB 4.33Å; Y827-L832 HydrophobicContact CE1-CB 3.98Å; Y827-L832 HydrophobicContact CE1-CD1 4.28Å; Y827-L832 HydrophobicContact CE2-CD1 4.18Å
828	K	81.6	Confident	90.2	Very high	127 Å²	127	76.3 Å²	76.3	55%	0.552	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.4	123	173.8	-170.7	172.3	-176.4	174.6	0	109.3	G830 Q831 E833	K828-G830 PolarHBondContact O-N 3.26Å; K828-Q831 PolarHBondContact N-O 2.72Å; K828-Q831 PolarHBondContact O-N 3.01Å; K828-E833 HydrophobicContact CB-CB 4.06Å; K828-E833 HydrophobicContact CB-CG 4.46Å; K828-E833 VanDerWaalsContact CD-OE1 3.29Å; K828-E833 WeakPolarHBondContact CD-OE1 3.32Å; K828-E833 IonicContact NZ-OE1 3.31Å
829	S	84.3	Confident	90.1	Very high	125 Å²	125	76.3 Å²	76.3	87%	0.874	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	37.1	-175.8	-57.3	0	0	0	0	113.6	Q831	S829-Q831 VanDerWaalsContact C-N 3.27Å; S829-Q831 PolarHBondContact O-N 2.9Å
830	G	85.8	Confident	90.1	Very high	71 Å²	71	74.9 Å²	74.9	73%	0.732	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	0.4	-179.9	0	0	0	0	0	115.4	K828	K828-G830 PolarHBondContact O-N 3.26Å
831	Q	88.3	Confident	90	Very high	150 Å²	150	74.2 Å²	74.2	70%	0.701	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	142.5	175.2	-64.4	-177.7	-6.5	0	0	110.6	Y827 K828 S829 E833	Y827-Q831 CarbonylContact C-O 3.53Å; Y827-Q831 VanDerWaalsContact CA-O 3.27Å; Y827-Q831 WeakPolarHBondContact CA-O 3.48Å; K828-Q831 PolarHBondContact N-O 2.72Å; K828-Q831 PolarHBondContact O-N 3.01Å; S829-Q831 VanDerWaalsContact C-N 3.27Å; S829-Q831 PolarHBondContact O-N 2.9Å; Q831-E833 PolarHBondContact O-N 3.39Å; Q831-E833 VanDerWaalsContact O-N 3.09Å
832	L	89.8	Confident	89.9	Confident	88 Å²	88	71.8 Å²	71.8	46%	0.461	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	109.7	172.5	-179.7	65.9	0	0	0	108.8	E825 Y827 V835	E825-L832 HydrophobicContact CB-CD1 3.64Å; E825-L832 HydrophobicContact CG-CD1 4.01Å; Y827-L832 HydrophobicContact CD1-CB 4.33Å; Y827-L832 HydrophobicContact CE1-CB 3.98Å; Y827-L832 HydrophobicContact CE1-CD1 4.28Å; Y827-L832 HydrophobicContact CE2-CD1 4.18Å; L832-V835 HydrophobicContact CD1-CG2 4.33Å; L832-V835 HydrophobicContact CD2-CG2 4.11Å
833	E	89.9	Confident	89.7	Confident	94 Å²	94	73.3 Å²	73.3	44%	0.439	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	-46.6	179.5	-178.7	177.7	-144.4	0	0	110.2	K826 K828 Q831	K826-E833 WeakPolarHBondContact CE-OE2 3.24Å; K826-E833 WeakPolarHBondContact O-CB 3.48Å; K826-E833 PolarHBondContact O-N 3.48Å; K828-E833 HydrophobicContact CB-CB 4.06Å; K828-E833 HydrophobicContact CB-CG 4.46Å; K828-E833 VanDerWaalsContact CD-OE1 3.29Å; K828-E833 WeakPolarHBondContact CD-OE1 3.32Å; K828-E833 IonicContact NZ-OE1 3.31Å; Q831-E833 PolarHBondContact O-N 3.39Å; Q831-E833 VanDerWaalsContact O-N 3.09Å
834	K	91.3	Very high	89.7	Confident	130 Å²	130	79.9 Å²	79.9	57%	0.565	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-160.8	146.2	-176.5	-172.2	174.9	177.5	-173.9	0	111.9	K826 V836	K826-K834 PolarHBondContact N-O 3.4Å; K826-K834 PolarHBondContact O-N 3.17Å; K834-V836 HydrophobicContact CD-CG2 3.99Å; K834-V836 HydrophobicContact CG-CG2 4.07Å
835	V	91.3	Very high	89.7	Confident	64 Å²	64	82.3 Å²	82.3	39%	0.388	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.5	163	-174.9	0	0	0	0	108.5	A823 E825 L832	A823-V835 HydrophobicContact CB-CG1 3.77Å; E825-V835 HydrophobicContact CG-CG2 4.29Å; L832-V835 HydrophobicContact CD1-CG2 4.33Å; L832-V835 HydrophobicContact CD2-CG2 4.11Å
836	V	93.2	Very high	89.9	Confident	28 Å²	28	80.3 Å²	80.3	17%	0.17	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	111.6	179.6	-176.5	0	0	0	0	109	A823 E824 K834 Y862	A823-V836 CarbonylContact C-O 3.52Å; A823-V836 VanDerWaalsContact CA-O 3.29Å; A823-V836 WeakPolarHBondContact CA-O 3.09Å; E824-V836 PolarHBondContact N-O 2.91Å; E824-V836 PolarHBondContact O-N 3.28Å; K834-V836 HydrophobicContact CD-CG2 3.99Å; K834-V836 HydrophobicContact CG-CG2 4.07Å; V836-Y862 HydrophobicContact CB-CE2 4.21Å; V836-Y862 HydrophobicContact CG1-CD2 4.14Å; V836-Y862 HydrophobicContact CG1-CE2 3.56Å; V836-Y862 HydrophobicContact CG2-CE2 4.49Å; V836-Y862 WeakPolarHBondContact CG2-OH 3.25Å
837	E	94.3	Very high	90.3	Very high	80 Å²	80	77.4 Å²	77.4	37%	0.374	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	132.2	175.4	-50.9	-167.3	126.6	0	0	110.7	A823 I839 G841 G842 A843	A823-E837 HydrophobicContact CB-CG 4.49Å; E837-I839 VanDerWaalsContact C-N 3.35Å; E837-I839 VanDerWaalsContact CB-O 3.25Å; E837-I839 WeakPolarHBondContact CB-O 3.23Å; E837-G841 PolarHBondContact OE2-N 3.35Å; E837-G842 PolarHBondContact OE1-N 3.45Å; E837-A843 HydrophobicContact CG-CB 4.26Å; E837-A843 VanDerWaalsContact OE1-CB 3.24Å; E837-A843 WeakPolarHBondContact OE1-CB 3.26Å; E837-A843 PolarHBondContact OE1-N 3.25Å
838	L	91.8	Very high	90.8	Very high	25 Å²	25	73.6 Å²	73.6	13%	0.131	42%	0.423	C	S	.	.	S	Bend	trans	-77.4	-26.4	178.9	-59.4	179.1	0	0	0	111.9	F822 Y855 L858 L859 Y862	F822-L838 WeakPolarHBondContact O-CB 3.19Å; F822-L838 PolarHBondContact O-N 3.27Å; L838-Y855 HydrophobicContact CD1-CD2 3.88Å; L838-Y855 HydrophobicContact CD1-CE2 3.76Å; L838-L858 HydrophobicContact CB-CB 4.11Å; L838-L858 HydrophobicContact CD1-CB 4.24Å; L838-L859 HydrophobicContact CD1-CB 4.34Å; L838-L859 HydrophobicContact CD1-CD1 4.32Å; L838-Y862 HydrophobicContact CD2-CD1 4.16Å; L838-Y862 HydrophobicContact CD2-CG 3.98Å
839	I	88.5	Confident	91.1	Very high	52 Å²	52	70.4 Å²	70.4	27%	0.267	41%	0.412	S	S	.	.	S	Bend	trans	-137.5	160.9	172.3	52.5	175.2	0	0	0	108.7	F822 E837 G841 G842 I845 L858	F822-I839 HydrophobicContact CB-CD1 3.95Å; F822-I839 HydrophobicContact CB-CG1 3.76Å; F822-I839 HydrophobicContact CD1-CD1 3.67Å; F822-I839 HydrophobicContact CD1-CG1 4.06Å; F822-I839 HydrophobicContact CE1-CD1 4.34Å; F822-I839 HydrophobicContact CG-CD1 3.87Å; F822-I839 HydrophobicContact CG-CG1 4.19Å; E837-I839 VanDerWaalsContact C-N 3.35Å; E837-I839 VanDerWaalsContact CB-O 3.25Å; E837-I839 WeakPolarHBondContact CB-O 3.23Å; I839-G841 PolarHBondContact O-N 3.12Å; I839-G842 WeakPolarHBondContact O-CA 3.18Å; I839-G842 PolarHBondContact O-N 3.35Å; I839-I845 HydrophobicContact CD1-CD1 3.53Å; I839-I845 HydrophobicContact CG1-CD1 4.26Å; I839-L858 HydrophobicContact CG2-CD1 3.53Å; I839-L858 HydrophobicContact CG2-CD2 4.16Å; I839-L858 HydrophobicContact CG2-CG 4.5Å
840	S	88.9	Confident	91.2	Very high	121 Å²	121	72.1 Å²	72.1	85%	0.846	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	122.3	178.3	-173.2	0	0	0	0	111.3	G842	S840-G842 PolarHBondContact O-N 3.06Å
841	G	91.9	Very high	91.3	Very high	20 Å²	20	70.4 Å²	70.4	21%	0.206	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	17.8	-174.9	0	0	0	0	0	113.1	E837 I839 A843 Q844	E837-G841 PolarHBondContact OE2-N 3.35Å; I839-G841 PolarHBondContact O-N 3.12Å; G841-A843 PolarHBondContact O-N 2.86Å; G841-Q844 VanDerWaalsContact CA-OE1 3.29Å; G841-Q844 PolarHBondContact O-N 3.24Å; G841-Q844 VanDerWaalsContact O-N 3.07Å; G841-Q844 PolarHBondContact O-OE1 3.46Å; G841-Q844 VanDerWaalsContact O-OE1 3.05Å
842	G	93	Very high	91.4	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-61.8	-26.6	-175.8	0	0	0	0	0	113.5	F822 E837 I839 S840 Q844 I845	F822-G842 CarbonylContact C-O 3.52Å; F822-G842 WeakPolarHBondContact CA-O 3.13Å; F822-G842 WeakPolarHBondContact CB-O 3.07Å; F822-G842 PolarHBondContact N-O 2.64Å; F822-G842 CarbonylContact O-C 3.58Å; F822-G842 WeakPolarHBondContact O-CA 3.35Å; E837-G842 PolarHBondContact OE1-N 3.45Å; I839-G842 WeakPolarHBondContact O-CA 3.18Å; I839-G842 PolarHBondContact O-N 3.35Å; S840-G842 PolarHBondContact O-N 3.06Å; G842-Q844 PolarHBondContact O-N 3.49Å; G842-I845 PolarHBondContact O-N 2.73Å; G842-I845 VanDerWaalsContact O-N 3.17Å
843	A	92.5	Very high	91.3	Very high	35 Å²	35	63.8 Å²	63.8	29%	0.289	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-67.8	-15.8	176.3	0	0	0	0	0	113.5	A823 E837 G841	A823-A843 HydrophobicContact CB-CB 4.19Å; E837-A843 HydrophobicContact CG-CB 4.26Å; E837-A843 VanDerWaalsContact OE1-CB 3.24Å; E837-A843 WeakPolarHBondContact OE1-CB 3.26Å; E837-A843 PolarHBondContact OE1-N 3.25Å; G841-A843 PolarHBondContact O-N 2.86Å
844	Q	93.3	Very high	91.2	Very high	148 Å²	148	64.2 Å²	64.2	69%	0.692	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-102.1	-2.5	175.6	-59.3	80.3	44.2	0	0	113.1	G841 G842	G841-Q844 VanDerWaalsContact CA-OE1 3.29Å; G841-Q844 PolarHBondContact O-N 3.24Å; G841-Q844 VanDerWaalsContact O-N 3.07Å; G841-Q844 PolarHBondContact O-OE1 3.46Å; G841-Q844 VanDerWaalsContact O-OE1 3.05Å; G842-Q844 PolarHBondContact O-N 3.49Å
845	I	94	Very high	91.3	Very high	68 Å²	68	58.2 Å²	58.2	35%	0.349	33%	0.329	S	S	.	.	S	Bend	trans	-100.7	112	-178.5	-60.7	169.5	0	0	0	107.7	V821 F822 I839 G842	V821-I845 VanDerWaalsContact CA-O 3.28Å; V821-I845 WeakPolarHBondContact CA-O 2.99Å; F822-I845 HydrophobicContact CD2-CB 4.08Å; F822-I845 HydrophobicContact CD2-CG2 3.62Å; F822-I845 WeakPolarHBondContact CD2-O 3.42Å; F822-I845 HydrophobicContact CE2-CG2 3.88Å; F822-I845 HydrophobicContact CG-CG2 4.36Å; F822-I845 PolarHBondContact N-O 3Å; F822-I845 VanDerWaalsContact N-O 3.13Å; I839-I845 HydrophobicContact CD1-CD1 3.53Å; I839-I845 HydrophobicContact CG1-CD1 4.26Å; G842-I845 PolarHBondContact O-N 2.73Å; G842-I845 VanDerWaalsContact O-N 3.17Å
846	A	94.6	Very high	91.4	Very high	60 Å²	60	55.1 Å²	55.1	50%	0.496	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-71	143.3	175.8	0	0	0	0	0	111.5	N851	A846-N851 PolarHBondContact O-ND2 2.75Å
847	V	94.5	Very high	91.2	Very high	6 Å²	6	55 Å²	55	4%	0.036	31%	0.309	C	S	.	.			trans	-81.6	126.5	171.3	-175.7	0	0	0	0	108.6	V815 L820 F822 N851 K852 Y855	V815-V847 HydrophobicContact CG2-CG1 4.21Å; L820-V847 HydrophobicContact CB-CB 3.74Å; L820-V847 HydrophobicContact CB-CG2 3.75Å; L820-V847 WeakPolarHBondContact O-CG2 3.38Å; L820-V847 PolarHBondContact O-N 3Å; F822-V847 HydrophobicContact CD2-CG2 3.82Å; F822-V847 HydrophobicContact CE2-CB 4.44Å; F822-V847 HydrophobicContact CE2-CG2 3.8Å; V847-N851 VanDerWaalsContact CA-OD1 3.26Å; V847-N851 WeakPolarHBondContact CA-OD1 3.17Å; V847-N851 WeakPolarHBondContact CG1-OD1 3.12Å; V847-K852 HydrophobicContact CG1-CB 3.96Å; V847-Y855 HydrophobicContact CG1-CD1 4.21Å; V847-Y855 HydrophobicContact CG1-CG 4.1Å; V847-Y855 HydrophobicContact CG2-CD1 4.25Å; V847-Y855 HydrophobicContact CG2-CD2 3.58Å; V847-Y855 HydrophobicContact CG2-CE2 4.1Å; V847-Y855 HydrophobicContact CG2-CG 3.66Å
848	T	93	Very high	91.1	Very high	53 Å²	53	52.9 Å²	52.9	33%	0.325	30%	0.3	S	S	.	.			trans	-121.7	167.2	179.5	69.4	0	0	0	0	109.8	D850 N851 K852	T848-D850 PolarHBondContact O-N 3.1Å; T848-N851 PolarHBondContact N-OD1 3.15Å; T848-N851 PolarHBondContact O-N 3.47Å; T848-N851 VanDerWaalsContact O-N 3.07Å; T848-N851 PolarHBondContact O-OD1 2.87Å; T848-N851 PolarHBondContact OG1-ND2 2.93Å; T848-K852 WeakPolarHBondContact O-CB 3.48Å; T848-K852 PolarHBondContact O-N 3.21Å
849	N	89.3	Confident	91.2	Very high	60 Å²	60	51.7 Å²	51.7	32%	0.321	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-31.3	177.2	-69.7	-45.5	0	0	0	113.2	D814 V815	D814-N849 PolarHBondContact OD1-ND2 3.41Å; D814-N849 PolarHBondContact OD2-ND2 3.47Å; V815-N849 PolarHBondContact N-OD1 2.83Å
850	D	86.1	Confident	91.5	Very high	162 Å²	162	49.2 Å²	49.2	87%	0.866	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-28.7	178.3	-60.2	-29.1	0	0	0	112.9	T848	T848-D850 PolarHBondContact O-N 3.1Å
851	N	87.1	Confident	91.7	Very high	35 Å²	35	46.5 Å²	46.5	19%	0.187	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-3.2	-173.4	77.8	23	0	0	0	114.1	F822 A846 V847 T848 I853 H854 Y855	F822-N851 HydrophobicContact CZ-CB 4.11Å; A846-N851 PolarHBondContact O-ND2 2.75Å; V847-N851 VanDerWaalsContact CA-OD1 3.26Å; V847-N851 WeakPolarHBondContact CA-OD1 3.17Å; V847-N851 WeakPolarHBondContact CG1-OD1 3.12Å; T848-N851 PolarHBondContact N-OD1 3.15Å; T848-N851 PolarHBondContact O-N 3.47Å; T848-N851 VanDerWaalsContact O-N 3.07Å; T848-N851 PolarHBondContact O-OD1 2.87Å; T848-N851 PolarHBondContact OG1-ND2 2.93Å; N851-I853 VanDerWaalsContact C-N 3.29Å; N851-I853 PolarHBondContact O-N 2.81Å; N851-H854 WeakPolarHBondContact O-CA 3.48Å; N851-H854 VanDerWaalsContact O-CB 3.32Å; N851-H854 WeakPolarHBondContact O-CB 3.15Å; N851-H854 PolarHBondContact O-N 3.27Å; N851-Y855 PolarHBondContact O-N 3.13Å
852	K	91.1	Very high	91.8	Very high	27 Å²	27	47.2 Å²	47.2	12%	0.117	25%	0.252	C	S	.	.	H	α-helix	trans	-59.1	-34	-175.4	69.1	-177.1	-176.5	172.9	0	114.3	I810 L811 N813 V815 V847 T848 H854 Y855 L856	I810-K852 HydrophobicContact CG2-CB 4.08Å; I810-K852 HydrophobicContact CG2-CD 4.38Å; I810-K852 WeakPolarHBondContact O-CD 3.47Å; I810-K852 PolarHBondContact O-NZ 2.86Å; L811-K852 PolarHBondContact O-NZ 3.44Å; N813-K852 PolarHBondContact O-NZ 3.47Å; V815-K852 HydrophobicContact CG1-CB 4.48Å; V815-K852 HydrophobicContact CG1-CD 4.1Å; V815-K852 HydrophobicContact CG2-CB 4.38Å; V815-K852 HydrophobicContact CG2-CD 4.46Å; V847-K852 HydrophobicContact CG1-CB 3.96Å; T848-K852 WeakPolarHBondContact O-CB 3.48Å; T848-K852 PolarHBondContact O-N 3.21Å; K852-H854 VanDerWaalsContact C-N 3.35Å; K852-Y855 PolarHBondContact O-N 3.33Å; K852-L856 VanDerWaalsContact O-CG 3.31Å; K852-L856 WeakPolarHBondContact O-CG 3.26Å; K852-L856 PolarHBondContact O-N 3.17Å
853	I	87.9	Confident	91.9	Very high	72 Å²	72	50.4 Å²	50.4	37%	0.369	26%	0.264	S	S	.	.	H	α-helix	trans	-66.2	-39.5	174.9	-58.6	-58.1	0	0	0	111.1	Y792 L811 N851 L856 N857	Y792-I853 HydrophobicContact CE1-CD1 4.39Å; Y792-I853 HydrophobicContact CE1-CG2 4.13Å; L811-I853 HydrophobicContact CD2-CD1 3.39Å; N851-I853 VanDerWaalsContact C-N 3.29Å; N851-I853 PolarHBondContact O-N 2.81Å; I853-L856 PolarHBondContact O-N 2.9Å; I853-N857 PolarHBondContact O-N 2.76Å
854	H	87.4	Confident	92	Very high	102 Å²	102	48.7 Å²	48.7	47%	0.472	25%	0.25	S	S	.	.	H	α-helix	trans	-64.9	-44.1	176.2	-175.4	47.8	0	0	0	111.3	F822 N851 K852 N857 L858	F822-H854 AromaticContact CE1-CD2 3.6Å; N851-H854 WeakPolarHBondContact O-CA 3.48Å; N851-H854 VanDerWaalsContact O-CB 3.32Å; N851-H854 WeakPolarHBondContact O-CB 3.15Å; N851-H854 PolarHBondContact O-N 3.27Å; K852-H854 VanDerWaalsContact C-N 3.35Å; H854-N857 PolarHBondContact O-N 3.1Å; H854-L858 WeakPolarHBondContact NE2-CD1 3.27Å; H854-L858 WeakPolarHBondContact O-CG 3.43Å; H854-L858 PolarHBondContact O-N 3.04Å
855	Y	92.8	Very high	92.1	Very high	4 Å²	4	42 Å²	42	2%	0.016	22%	0.22	C	C	.	.	H	α-helix	trans	-56	-49.6	172.7	166.3	-100.7	0	0	0	111.8	I810 L820 V821 F822 L838 V847 N851 K852 N857 L858 L859	I810-Y855 HydrophobicContact CD1-CD1 4.45Å; I810-Y855 HydrophobicContact CD1-CE1 3.78Å; L820-Y855 HydrophobicContact CD1-CE1 4.5Å; V821-Y855 VanDerWaalsContact O-CE2 3.25Å; V821-Y855 WeakPolarHBondContact O-CE2 3.19Å; F822-Y855 HydrophobicContact CD1-CD2 4.41Å; F822-Y855 HydrophobicContact CG-CD2 4.38Å; L838-Y855 HydrophobicContact CD1-CD2 3.88Å; L838-Y855 HydrophobicContact CD1-CE2 3.76Å; V847-Y855 HydrophobicContact CG1-CD1 4.21Å; V847-Y855 HydrophobicContact CG1-CG 4.1Å; V847-Y855 HydrophobicContact CG2-CD1 4.25Å; V847-Y855 HydrophobicContact CG2-CD2 3.58Å; V847-Y855 HydrophobicContact CG2-CE2 4.1Å; V847-Y855 HydrophobicContact CG2-CG 3.66Å; N851-Y855 PolarHBondContact O-N 3.13Å; K852-Y855 PolarHBondContact O-N 3.33Å; Y855-N857 PolarHBondContact O-N 3.08Å; Y855-L858 PolarHBondContact O-N 3.35Å; Y855-L859 HydrophobicContact CE1-CD2 4.1Å; Y855-L859 WeakPolarHBondContact O-CB 3.46Å; Y855-L859 PolarHBondContact O-N 3.1Å
856	L	94.1	Very high	92.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.7	-40.4	-179.9	-73	175.3	0	0	0	112.9	Y792 V807 I810 L811 K852 I853 L859 A860	Y792-L856 HydrophobicContact CD1-CB 4.05Å; Y792-L856 HydrophobicContact CG-CB 4.09Å; Y792-L856 HydrophobicContact CG-CD1 4.49Å; V807-L856 HydrophobicContact CB-CD2 4.48Å; V807-L856 HydrophobicContact CG1-CD1 4.23Å; V807-L856 HydrophobicContact CG1-CD2 4.19Å; V807-L856 HydrophobicContact CG2-CD2 4.36Å; I810-L856 HydrophobicContact CB-CD1 4.46Å; I810-L856 HydrophobicContact CB-CD2 4.26Å; I810-L856 HydrophobicContact CD1-CD2 4.02Å; I810-L856 HydrophobicContact CG2-CD1 3.89Å; I810-L856 HydrophobicContact CG2-CD2 4.03Å; I810-L856 HydrophobicContact CG2-CG 3.99Å; L811-L856 HydrophobicContact CD2-CD1 3.56Å; L811-L856 HydrophobicContact CG-CD1 3.77Å; K852-L856 VanDerWaalsContact O-CG 3.31Å; K852-L856 WeakPolarHBondContact O-CG 3.26Å; K852-L856 PolarHBondContact O-N 3.17Å; I853-L856 PolarHBondContact O-N 2.9Å; L856-L859 WeakPolarHBondContact O-CB 3.39Å; L856-L859 PolarHBondContact O-N 2.88Å; L856-A860 PolarHBondContact O-N 3.04Å
857	N	89.9	Confident	92	Very high	25 Å²	25	41.8 Å²	41.8	13%	0.134	21%	0.214	C	C	.	.	H	α-helix	trans	-66.4	-40	176	-80.3	-19.5	0	0	0	112.4	I604 N791 Y792 I853 H854 Y855 L859 A860 Q861	I604-N857 PolarHBondContact O-ND2 3.07Å; N791-N857 WeakPolarHBondContact CA-OD1 3.38Å; N791-N857 PolarHBondContact OD1-OD1 3.46Å; Y792-N857 VanDerWaalsContact CD1-OD1 3.25Å; Y792-N857 WeakPolarHBondContact CD1-OD1 3.28Å; Y792-N857 PolarHBondContact N-OD1 3.24Å; Y792-N857 VanDerWaalsContact N-OD1 3.14Å; I853-N857 PolarHBondContact O-N 2.76Å; H854-N857 PolarHBondContact O-N 3.1Å; Y855-N857 PolarHBondContact O-N 3.08Å; N857-L859 VanDerWaalsContact C-N 3.34Å; N857-A860 WeakPolarHBondContact O-CB 3.15Å; N857-A860 PolarHBondContact O-N 2.93Å; N857-Q861 PolarHBondContact O-N 3.29Å
858	L	91.3	Very high	92.1	Very high	35 Å²	35	41.7 Å²	41.7	18%	0.183	21%	0.213	C	C	.	.	H	α-helix	trans	-67.3	-37	174.8	-73.2	168.8	0	0	0	112.2	F822 L838 I839 H854 Y855 A860 Q861 Y862	F822-L858 HydrophobicContact CD1-CD1 3.67Å; F822-L858 HydrophobicContact CE1-CD1 3.81Å; L838-L858 HydrophobicContact CB-CB 4.11Å; L838-L858 HydrophobicContact CD1-CB 4.24Å; I839-L858 HydrophobicContact CG2-CD1 3.53Å; I839-L858 HydrophobicContact CG2-CD2 4.16Å; I839-L858 HydrophobicContact CG2-CG 4.5Å; H854-L858 WeakPolarHBondContact NE2-CD1 3.27Å; H854-L858 WeakPolarHBondContact O-CG 3.43Å; H854-L858 PolarHBondContact O-N 3.04Å; Y855-L858 PolarHBondContact O-N 3.35Å; L858-A860 VanDerWaalsContact C-N 3.33Å; L858-Q861 WeakPolarHBondContact O-CB 3.48Å; L858-Q861 PolarHBondContact O-N 3.24Å; L858-Y862 PolarHBondContact O-N 3.21Å
859	L	94.6	Very high	92.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.9	-42.5	174.1	-170.4	64.7	0	0	0	111	F802 E824 L838 Y855 L856 N857 Y862 R863	F802-L859 HydrophobicContact CE1-CD2 4.07Å; F802-L859 HydrophobicContact CZ-CD2 3.81Å; F802-L859 HydrophobicContact CZ-CG 4.31Å; E824-L859 HydrophobicContact CB-CD1 4.46Å; E824-L859 HydrophobicContact CG-CD1 4.4Å; E824-L859 WeakPolarHBondContact OE2-CD1 3.45Å; L838-L859 HydrophobicContact CD1-CB 4.34Å; L838-L859 HydrophobicContact CD1-CD1 4.32Å; Y855-L859 HydrophobicContact CE1-CD2 4.1Å; Y855-L859 WeakPolarHBondContact O-CB 3.46Å; Y855-L859 PolarHBondContact O-N 3.1Å; L856-L859 WeakPolarHBondContact O-CB 3.39Å; L856-L859 PolarHBondContact O-N 2.88Å; N857-L859 VanDerWaalsContact C-N 3.34Å; L859-Y862 PolarHBondContact O-N 3.31Å; L859-R863 PolarHBondContact O-N 3.47Å
860	A	94.5	Very high	92.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.9	-45.7	172	0	0	0	0	0	112.2	M790 F795 L856 N857 L858 Y862 L864	M790-A860 HydrophobicContact CB-CB 4.18Å; F795-A860 HydrophobicContact CD2-CB 4.29Å; F795-A860 HydrophobicContact CE2-CB 3.59Å; F795-A860 HydrophobicContact CZ-CB 4.03Å; L856-A860 PolarHBondContact O-N 3.04Å; N857-A860 WeakPolarHBondContact O-CB 3.15Å; N857-A860 PolarHBondContact O-N 2.93Å; L858-A860 VanDerWaalsContact C-N 3.33Å; A860-Y862 VanDerWaalsContact C-N 3.29Å; A860-Y862 PolarHBondContact O-N 2.79Å; A860-L864 HydrophobicContact CB-CD1 4.27Å; A860-L864 VanDerWaalsContact O-CB 3.25Å; A860-L864 WeakPolarHBondContact O-CB 3.35Å; A860-L864 WeakPolarHBondContact O-CG 3.46Å; A860-L864 PolarHBondContact O-N 3.31Å
861	Q	93	Very high	93.3	Very high	64 Å²	64	40.5 Å²	40.5	30%	0.299	19%	0.193	S	C	.	.	H	α-helix	trans	-58.4	-41.6	177	-174.1	62.1	54.8	0	0	112.1	M790 N857 L858 A865 S866	M790-Q861 HydrophobicContact CB-CB 4.25Å; N857-Q861 PolarHBondContact O-N 3.29Å; L858-Q861 WeakPolarHBondContact O-CB 3.48Å; L858-Q861 PolarHBondContact O-N 3.24Å; Q861-A865 WeakPolarHBondContact O-CB 3.16Å; Q861-A865 PolarHBondContact O-N 2.79Å; Q861-S866 PolarHBondContact O-N 3.45Å; Q861-S866 PolarHBondContact O-OG 3.14Å
862	Y	94.3	Very high	93.8	Very high	35 Å²	35	39.3 Å²	39.3	14%	0.137	19%	0.187	C	C	.	.	H	α-helix	trans	-70.6	-55.5	178.6	171.5	-107.5	0	0	0	112.2	E824 V836 L838 L858 L859 A860 S866 Q867	E824-Y862 HydrophobicContact CB-CD1 4.49Å; E824-Y862 HydrophobicContact CB-CE1 4.23Å; E824-Y862 HydrophobicContact CG-CE1 4.37Å; E824-Y862 WeakPolarHBondContact OE2-CD1 3.27Å; E824-Y862 WeakPolarHBondContact OE2-CE1 3.45Å; V836-Y862 HydrophobicContact CB-CE2 4.21Å; V836-Y862 HydrophobicContact CG1-CD2 4.14Å; V836-Y862 HydrophobicContact CG1-CE2 3.56Å; V836-Y862 HydrophobicContact CG2-CE2 4.49Å; V836-Y862 WeakPolarHBondContact CG2-OH 3.25Å; L838-Y862 HydrophobicContact CD2-CD1 4.16Å; L838-Y862 HydrophobicContact CD2-CG 3.98Å; L858-Y862 PolarHBondContact O-N 3.21Å; L859-Y862 PolarHBondContact O-N 3.31Å; A860-Y862 VanDerWaalsContact C-N 3.29Å; A860-Y862 PolarHBondContact O-N 2.79Å; Y862-S866 PolarHBondContact O-N 3.32Å; Y862-Q867 HydrophobicContact CD2-CG 4.47Å; Y862-Q867 HydrophobicContact CE2-CG 4.01Å; Y862-Q867 WeakPolarHBondContact O-CG 3.06Å; Y862-Q867 PolarHBondContact O-N 3.16Å
863	R	94.3	Very high	94.1	Very high	67 Å²	67	42.2 Å²	42.2	25%	0.253	20%	0.201	S	C	.	.	H	α-helix	trans	-69.8	-35.3	-173.3	-67	-172.6	73.2	120.9	-6.3	113.8	F795 E824 L859	F795-R863 HydrophobicContact CE1-CB 4.23Å; F795-R863 HydrophobicContact CZ-CB 4.18Å; E824-R863 IonicContact OE1-CZ 3.77Å; E824-R863 IonicContact OE1-NE 2.9Å; E824-R863 IonicContact OE1-NH1 3.39Å; E824-R863 PolarHBondContact OE1-NH1 3.28Å; E824-R863 WeakPolarHBondContact OE2-CG 3.14Å; L859-R863 PolarHBondContact O-N 3.47Å
864	L	95.3	Very high	94.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-98.6	-14.7	-173.3	-54	176.4	0	0	0	113.8	F726 H735 Q784 M790 F795 A860	F726-L864 HydrophobicContact CE1-CD2 4.23Å; F726-L864 HydrophobicContact CE2-CD2 3.83Å; F726-L864 HydrophobicContact CZ-CD2 3.56Å; H735-L864 PolarHBondContact CE1-O 2.82Å; H735-L864 PolarHBondContact NE2-O 2.92Å; H735-L864 VanDerWaalsContact NE2-O 3.09Å; Q784-L864 PolarHBondContact NE2-O 2.69Å; M790-L864 HydrophobicContact CG-CB 4.43Å; M790-L864 HydrophobicContact SD-CB 4.25Å; F795-L864 HydrophobicContact CD1-CD1 4.03Å; F795-L864 HydrophobicContact CD1-CD2 4.04Å; F795-L864 HydrophobicContact CD1-CG 4.27Å; F795-L864 HydrophobicContact CE1-CD1 3.91Å; F795-L864 HydrophobicContact CE1-CD2 3.72Å; F795-L864 HydrophobicContact CE1-CG 3.76Å; F795-L864 HydrophobicContact CG-CD1 4.49Å; F795-L864 HydrophobicContact CZ-CD1 4.29Å; F795-L864 HydrophobicContact CZ-CG 4.22Å; A860-L864 HydrophobicContact CB-CD1 4.27Å; A860-L864 VanDerWaalsContact O-CB 3.25Å; A860-L864 WeakPolarHBondContact O-CB 3.35Å; A860-L864 WeakPolarHBondContact O-CG 3.46Å; A860-L864 PolarHBondContact O-N 3.31Å
865	A	94.4	Very high	95.1	Very high	6 Å²	6	36.3 Å²	36.3	5%	0.05	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.3	-51.6	-175.1	0	0	0	0	0	114	Q784 M790 Q861 Q867 V868 R869	Q784-A865 HydrophobicContact CG-CB 4.17Å; M790-A865 HydrophobicContact CG-CB 3.63Å; M790-A865 HydrophobicContact SD-CB 4.21Å; Q861-A865 WeakPolarHBondContact O-CB 3.16Å; Q861-A865 PolarHBondContact O-N 2.79Å; A865-Q867 VanDerWaalsContact C-N 3.27Å; A865-Q867 PolarHBondContact O-N 3.49Å; A865-V868 CarbonylContact O-C 3.52Å; A865-V868 WeakPolarHBondContact O-CG2 3.5Å; A865-V868 PolarHBondContact O-N 3.07Å; A865-V868 VanDerWaalsContact O-N 3.1Å; A865-R869 PolarHBondContact O-N 2.93Å; A865-R869 VanDerWaalsContact O-N 3.11Å
866	S	94.1	Very high	95.3	Very high	62 Å²	62	37.4 Å²	37.4	43%	0.434	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-61.6	-34.9	-175	-60.2	0	0	0	0	113.2	Q861 Y862 V868	Q861-S866 PolarHBondContact O-N 3.45Å; Q861-S866 PolarHBondContact O-OG 3.14Å; Y862-S866 PolarHBondContact O-N 3.32Å; S866-V868 VanDerWaalsContact C-N 3.29Å; S866-V868 PolarHBondContact O-N 3.43Å
867	Q	94.1	Very high	95.5	Very high	63 Å²	63	42.8 Å²	42.8	29%	0.294	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-69.2	-25	178.4	-68.8	-175.5	33.4	0	0	113.7	A738 Y862 A865	A738-Q867 HydrophobicContact CB-CB 4.18Å; A738-Q867 WeakPolarHBondContact CB-O 3.3Å; Y862-Q867 HydrophobicContact CD2-CG 4.47Å; Y862-Q867 HydrophobicContact CE2-CG 4.01Å; Y862-Q867 WeakPolarHBondContact O-CG 3.06Å; Y862-Q867 PolarHBondContact O-N 3.16Å; A865-Q867 VanDerWaalsContact C-N 3.27Å; A865-Q867 PolarHBondContact O-N 3.49Å
868	V	96.6	Very high	95.9	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.024	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-113.7	17.4	-176	-64.9	0	0	0	0	112.6	P736 A738 A865 S866 D870 E871 V872	P736-V868 HydrophobicContact CB-CB 4.06Å; P736-V868 HydrophobicContact CB-CG1 4.08Å; P736-V868 VanDerWaalsContact O-CG1 3.3Å; P736-V868 WeakPolarHBondContact O-CG1 3.39Å; A738-V868 HydrophobicContact CB-CG1 3.92Å; A865-V868 CarbonylContact O-C 3.52Å; A865-V868 WeakPolarHBondContact O-CG2 3.5Å; A865-V868 PolarHBondContact O-N 3.07Å; A865-V868 VanDerWaalsContact O-N 3.1Å; S866-V868 VanDerWaalsContact C-N 3.29Å; S866-V868 PolarHBondContact O-N 3.43Å; V868-D870 PolarHBondContact O-N 2.98Å; V868-E871 WeakPolarHBondContact CA-OE2 3.5Å; V868-E871 PolarHBondContact O-N 2.83Å; V868-V872 HydrophobicContact CB-CG2 4.34Å; V868-V872 HydrophobicContact CG2-CG2 3.89Å; V868-V872 WeakPolarHBondContact O-CB 3.44Å; V868-V872 VanDerWaalsContact O-CG2 3.28Å; V868-V872 WeakPolarHBondContact O-CG2 3.47Å; V868-V872 PolarHBondContact O-N 3.26Å
869	R	96.3	Very high	96.2	Very high	153 Å²	153	40 Å²	40	58%	0.577	19%	0.186	S	C	*	.	H	α-helix	trans	-58	-46.4	-170.7	177.5	-178.3	158.3	-156.8	-16.9	111.9	A865 E871 V872 E873	A865-R869 PolarHBondContact O-N 2.93Å; A865-R869 VanDerWaalsContact O-N 3.11Å; R869-E871 VanDerWaalsContact C-N 3.33Å; R869-E871 PolarHBondContact O-N 3.45Å; R869-V872 PolarHBondContact O-N 2.87Å; R869-E873 HydrophobicContact CG-CG 4.39Å; R869-E873 IonicContact CZ-OE1 3.62Å; R869-E873 IonicContact NE-OE1 3.45Å; R869-E873 PolarHBondContact NE-OE1 2.6Å; R869-E873 IonicContact NH2-OE1 2.61Å; R869-E873 PolarHBondContact NH2-OE1 2.79Å; R869-E873 VanDerWaalsContact NH2-OE1 3.12Å; R869-E873 WeakPolarHBondContact O-CB 3.43Å; R869-E873 VanDerWaalsContact O-CG 3.3Å; R869-E873 WeakPolarHBondContact O-CG 3.36Å; R869-E873 PolarHBondContact O-N 3.38Å
870	D	97.3	Very high	96.2	Very high	84 Å²	84	42.5 Å²	42.5	45%	0.449	20%	0.2	S	C	.	.	H	α-helix	trans	-67.4	-36.8	-177.1	-70.1	-22.9	0	0	0	111.4	L746 V868 H874	L746-D870 HydrophobicContact CD1-CB 4.21Å; L746-D870 HydrophobicContact CD2-CB 3.97Å; V868-D870 PolarHBondContact O-N 2.98Å; D870-H874 PolarHBondContact O-N 3.46Å; D870-H874 VanDerWaalsContact O-N 3.08Å; D870-H874 PolarHBondContact O-ND1 3.22Å
871	E	98.2	Very high	96.3	Very high	13 Å²	13	45 Å²	45	6%	0.061	21%	0.211	C	C	.	.	H	α-helix	trans	-65.7	-47.5	178	-64	66.5	-148.4	0	0	110.6	P736 R740 L746 Y749 V868 R869 H874 F875	P736-E871 HydrophobicContact CB-CB 4.14Å; R740-E871 IonicContact CZ-OE1 2.68Å; R740-E871 VanDerWaalsContact NH1-CD 3.3Å; R740-E871 IonicContact NH1-OE1 3.73Å; R740-E871 PolarHBondContact NH1-OE1 3.01Å; R740-E871 IonicContact NH2-OE1 3.15Å; R740-E871 PolarHBondContact NH2-OE1 3.16Å; L746-E871 HydrophobicContact CD2-CG 4.07Å; Y749-E871 WeakPolarHBondContact CB-O 3.3Å; Y749-E871 HydrophobicContact CD1-CB 4.15Å; Y749-E871 HydrophobicContact CD2-CB 3.9Å; Y749-E871 HydrophobicContact CD2-CG 3.94Å; Y749-E871 HydrophobicContact CE1-CB 4.03Å; Y749-E871 HydrophobicContact CE1-CG 4.31Å; Y749-E871 HydrophobicContact CE2-CB 3.76Å; Y749-E871 HydrophobicContact CE2-CG 3.38Å; Y749-E871 HydrophobicContact CG-CB 4.09Å; V868-E871 WeakPolarHBondContact CA-OE2 3.5Å; V868-E871 PolarHBondContact O-N 2.83Å; R869-E871 VanDerWaalsContact C-N 3.33Å; R869-E871 PolarHBondContact O-N 3.45Å; E871-H874 PolarHBondContact O-N 3.11Å; E871-F875 WeakPolarHBondContact O-CB 3.3Å; E871-F875 PolarHBondContact O-N 3.36Å
872	V	97.8	Very high	96.4	Very high	9 Å²	9	42 Å²	42	6%	0.055	20%	0.198	C	C	.	.	H	α-helix	trans	-66.3	-42.9	177.6	174.2	0	0	0	0	111	P736 F781 Q784 V868 R869 H874 F875 L876	P736-V872 HydrophobicContact CG-CG2 4.1Å; F781-V872 HydrophobicContact CD2-CG2 4.1Å; F781-V872 HydrophobicContact CE2-CG2 4.02Å; Q784-V872 HydrophobicContact CB-CG1 4.09Å; V868-V872 HydrophobicContact CB-CG2 4.34Å; V868-V872 HydrophobicContact CG2-CG2 3.89Å; V868-V872 WeakPolarHBondContact O-CB 3.44Å; V868-V872 VanDerWaalsContact O-CG2 3.28Å; V868-V872 WeakPolarHBondContact O-CG2 3.47Å; V868-V872 PolarHBondContact O-N 3.26Å; R869-V872 PolarHBondContact O-N 2.87Å; V872-H874 VanDerWaalsContact C-N 3.32Å; V872-H874 PolarHBondContact O-N 3.13Å; V872-F875 WeakPolarHBondContact O-CB 3.41Å; V872-F875 PolarHBondContact O-N 3.31Å; V872-L876 HydrophobicContact CG1-CD1 4.06Å; V872-L876 HydrophobicContact CG1-CG 4.34Å; V872-L876 WeakPolarHBondContact O-CB 3.46Å; V872-L876 WeakPolarHBondContact O-CG 3.4Å; V872-L876 PolarHBondContact O-N 2.64Å
873	E	97.4	Very high	96.5	Very high	89 Å²	89	40.3 Å²	40.3	42%	0.416	19%	0.191	S	C	.	.	H	α-helix	trans	-59.2	-42.1	176	-79.5	-178.2	-168.7	0	0	111.5	R869 K877	R869-E873 HydrophobicContact CG-CG 4.39Å; R869-E873 IonicContact CZ-OE1 3.62Å; R869-E873 IonicContact NE-OE1 3.45Å; R869-E873 PolarHBondContact NE-OE1 2.6Å; R869-E873 IonicContact NH2-OE1 2.61Å; R869-E873 PolarHBondContact NH2-OE1 2.79Å; R869-E873 VanDerWaalsContact NH2-OE1 3.12Å; R869-E873 WeakPolarHBondContact O-CB 3.43Å; R869-E873 VanDerWaalsContact O-CG 3.3Å; R869-E873 WeakPolarHBondContact O-CG 3.36Å; R869-E873 PolarHBondContact O-N 3.38Å; E873-K877 WeakPolarHBondContact O-CB 3.29Å; E873-K877 PolarHBondContact O-N 2.77Å
874	H	98.4	Very high	96.3	Very high	48 Å²	48	38.7 Å²	38.7	22%	0.222	19%	0.189	C	C	.	.	H	α-helix	trans	-70	-40.1	176.1	-78	77.5	0	0	0	112.5	L746 E750 D870 E871 V872 K877 G878	L746-H874 HydrophobicContact CB-CB 4.49Å; E750-H874 WeakPolarHBondContact CA-O 3.4Å; E750-H874 HydrophobicContact CB-CB 4.43Å; D870-H874 PolarHBondContact O-N 3.46Å; D870-H874 VanDerWaalsContact O-N 3.08Å; D870-H874 PolarHBondContact O-ND1 3.22Å; E871-H874 PolarHBondContact O-N 3.11Å; V872-H874 VanDerWaalsContact C-N 3.32Å; V872-H874 PolarHBondContact O-N 3.13Å; H874-K877 WeakPolarHBondContact O-CB 3.3Å; H874-K877 PolarHBondContact O-N 3.43Å; H874-G878 PolarHBondContact O-N 3.43Å; H874-G878 VanDerWaalsContact O-N 3.12Å
875	F	98.6	Very high	95.7	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	21%	0.205	C	C	.	.	H	α-helix	trans	-57.6	-50.7	173	-177.1	-88.9	0	0	0	111.3	F716 Y749 A752 G753 V756 F781 I785 E871 V872 K877 G878 L879	F716-F875 HydrophobicContact CE1-CE2 4.23Å; Y749-F875 WeakPolarHBondContact O-CA 3.31Å; A752-F875 HydrophobicContact CB-CD2 4.04Å; A752-F875 HydrophobicContact CB-CE2 4.07Å; G753-F875 WeakPolarHBondContact CA-O 3.32Å; V756-F875 HydrophobicContact CB-CZ 4.15Å; V756-F875 HydrophobicContact CG1-CZ 4.45Å; V756-F875 HydrophobicContact CG2-CE2 4.25Å; V756-F875 HydrophobicContact CG2-CZ 3.9Å; F781-F875 HydrophobicContact CE1-CE1 4.37Å; F781-F875 HydrophobicContact CE1-CZ 4.29Å; F781-F875 HydrophobicContact CE2-CD1 4.37Å; F781-F875 AromaticContact CZ-CD1 3.8Å; F781-F875 HydrophobicContact CZ-CD1 3.8Å; F781-F875 HydrophobicContact CZ-CD2 4.14Å; F781-F875 AromaticContact CZ-CE1 3.81Å; F781-F875 HydrophobicContact CZ-CE1 3.81Å; F781-F875 HydrophobicContact CZ-CE2 4.13Å; F781-F875 AromaticContact CZ-CG 3.97Å; F781-F875 HydrophobicContact CZ-CG 3.97Å; F781-F875 AromaticContact CZ-CZ 3.97Å; F781-F875 HydrophobicContact CZ-CZ 3.97Å; I785-F875 HydrophobicContact CD1-CD1 4.44Å; I785-F875 HydrophobicContact CD1-CE1 3.67Å; I785-F875 HydrophobicContact CD1-CZ 4.34Å; I785-F875 HydrophobicContact CG1-CD1 4.29Å; I785-F875 HydrophobicContact CG1-CE1 3.95Å; E871-F875 WeakPolarHBondContact O-CB 3.3Å; E871-F875 PolarHBondContact O-N 3.36Å; V872-F875 WeakPolarHBondContact O-CB 3.41Å; V872-F875 PolarHBondContact O-N 3.31Å; F875-K877 VanDerWaalsContact C-N 3.32Å; F875-K877 PolarHBondContact O-N 3.37Å; F875-G878 PolarHBondContact O-N 3.01Å; F875-L879 HydrophobicContact CE1-CD2 4.12Å; F875-L879 WeakPolarHBondContact O-CB 3.45Å; F875-L879 PolarHBondContact O-N 2.99Å
876	L	97.5	Very high	95.1	Very high	28 Å²	28	45.7 Å²	45.7	15%	0.147	22%	0.223	C	C	.	.	H	α-helix	trans	-60.3	-40.5	177.1	-78.6	178.1	0	0	0	111.9	I785 V872 G878 L879 N880	I785-L876 HydrophobicContact CB-CD2 4.41Å; I785-L876 HydrophobicContact CG1-CD2 4.47Å; I785-L876 HydrophobicContact CG2-CD2 4.27Å; V872-L876 HydrophobicContact CG1-CD1 4.06Å; V872-L876 HydrophobicContact CG1-CG 4.34Å; V872-L876 WeakPolarHBondContact O-CB 3.46Å; V872-L876 WeakPolarHBondContact O-CG 3.4Å; V872-L876 PolarHBondContact O-N 2.64Å; L876-G878 VanDerWaalsContact C-N 3.33Å; L876-G878 PolarHBondContact O-N 3.46Å; L876-L879 HydrophobicContact CD2-CD2 4.31Å; L876-L879 PolarHBondContact O-N 3.23Å; L876-N880 WeakPolarHBondContact O-CB 3.1Å; L876-N880 PolarHBondContact O-N 2.87Å; L876-N880 PolarHBondContact O-ND2 2.97Å; L876-N880 VanDerWaalsContact O-ND2 3.11Å
877	K	97.4	Very high	94.8	Very high	112 Å²	112	43.2 Å²	43.2	49%	0.487	21%	0.205	S	C	.	.	H	α-helix	trans	-56.9	-46.9	175.6	-178.9	-177.5	171	-154.5	0	111.6	E750 E873 H874 F875 E881	E750-K877 HydrophobicContact CG-CD 4.44Å; E750-K877 HydrophobicContact CG-CG 4.46Å; E750-K877 WeakPolarHBondContact OE2-CD 3.48Å; E750-K877 WeakPolarHBondContact OE2-CE 3.13Å; E750-K877 IonicContact OE2-NZ 3.07Å; E750-K877 PolarHBondContact OE2-NZ 2.88Å; E873-K877 WeakPolarHBondContact O-CB 3.29Å; E873-K877 PolarHBondContact O-N 2.77Å; H874-K877 WeakPolarHBondContact O-CB 3.3Å; H874-K877 PolarHBondContact O-N 3.43Å; F875-K877 VanDerWaalsContact C-N 3.32Å; F875-K877 PolarHBondContact O-N 3.37Å; K877-E881 PolarHBondContact O-N 2.94Å
878	G	97.4	Very high	94.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-67.2	-41	177.1	0	0	0	0	0	113.5	E750 R754 H874 F875 L876	E750-G878 WeakPolarHBondContact O-CA 3.41Å; R754-G878 WeakPolarHBondContact CG-O 3.34Å; H874-G878 PolarHBondContact O-N 3.43Å; H874-G878 VanDerWaalsContact O-N 3.12Å; F875-G878 PolarHBondContact O-N 3.01Å; L876-G878 VanDerWaalsContact C-N 3.33Å; L876-G878 PolarHBondContact O-N 3.46Å
879	L	97.9	Very high	93.9	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-62.7	-46.7	176.8	177.2	58.7	0	0	0	111.6	G753 V756 G757 L760 I785 F875 L876 E881 L882 V883 L888	G753-L879 WeakPolarHBondContact O-CA 3.17Å; V756-L879 HydrophobicContact CB-CD1 4.49Å; V756-L879 HydrophobicContact CG1-CD1 4.05Å; G757-L879 VanDerWaalsContact CA-CD1 3.48Å; L760-L879 HydrophobicContact CD1-CD1 4.24Å; I785-L879 HydrophobicContact CG2-CD2 3.73Å; F875-L879 HydrophobicContact CE1-CD2 4.12Å; F875-L879 WeakPolarHBondContact O-CB 3.45Å; F875-L879 PolarHBondContact O-N 2.99Å; L876-L879 HydrophobicContact CD2-CD2 4.31Å; L876-L879 PolarHBondContact O-N 3.23Å; L879-E881 PolarHBondContact O-N 2.71Å; L879-L882 PolarHBondContact O-N 2.99Å; L879-V883 HydrophobicContact CD1-CB 4.26Å; L879-V883 HydrophobicContact CD1-CG2 4.36Å; L879-V883 PolarHBondContact O-N 3.29Å; L879-L888 HydrophobicContact CD2-CD1 3.77Å; L879-L888 HydrophobicContact CG-CD1 4.29Å
880	N	96.3	Very high	93.3	Very high	54 Å²	54	34 Å²	34	29%	0.289	17%	0.172	S	C	.	.	H	α-helix	trans	-69.4	-15.3	-174.6	-71	-28.7	0	0	0	114.1	L876 L882 V883 E885	L876-N880 WeakPolarHBondContact O-CB 3.1Å; L876-N880 PolarHBondContact O-N 2.87Å; L876-N880 PolarHBondContact O-ND2 2.97Å; L876-N880 VanDerWaalsContact O-ND2 3.11Å; N880-L882 VanDerWaalsContact C-N 3.28Å; N880-V883 VanDerWaalsContact CA-O 3.31Å; N880-V883 WeakPolarHBondContact CA-O 3.19Å; N880-V883 PolarHBondContact OD1-O 3.44Å; N880-E885 PolarHBondContact OD1-N 3.31Å
881	E	95.3	Very high	92.7	Very high	51 Å²	51	30.2 Å²	30.2	24%	0.238	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-32.8	169.4	-75	175.9	-169.9	0	0	112.2	V681 R754 K877 L879	V681-E881 HydrophobicContact CG1-CB 4.17Å; V681-E881 WeakPolarHBondContact CG1-O 3.2Å; V681-E881 HydrophobicContact CG2-CB 4.02Å; V681-E881 HydrophobicContact CG2-CG 3.92Å; R754-E881 IonicContact CZ-OE1 2.74Å; R754-E881 IonicContact CZ-OE2 2.76Å; R754-E881 IonicContact NE-OE1 2.67Å; R754-E881 IonicContact NE-OE2 2.67Å; R754-E881 PolarHBondContact NE-OE2 2.96Å; R754-E881 IonicContact NH2-OE1 2.69Å; R754-E881 PolarHBondContact NH2-OE1 2.95Å; R754-E881 IonicContact NH2-OE2 2.79Å; R754-E881 PolarHBondContact NH2-OE2 2.88Å; K877-E881 PolarHBondContact O-N 2.94Å; L879-E881 PolarHBondContact O-N 2.71Å
882	L	96	Very high	92	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-40.2	179.2	-74.4	100	0	0	0	112.7	L647 H651 W684 R754 K758 L879 N880	L647-L882 VanDerWaalsContact CD1-O 3.29Å; L647-L882 WeakPolarHBondContact CD1-O 3.34Å; H651-L882 PolarHBondContact CE1-O 3.3Å; H651-L882 PolarHBondContact NE2-O 3.15Å; W684-L882 HydrophobicContact CB-CD1 4.09Å; W684-L882 HydrophobicContact CB-CD2 4.07Å; W684-L882 HydrophobicContact CB-CG 4.33Å; W684-L882 HydrophobicContact CG-CD1 4.43Å; R754-L882 HydrophobicContact CB-CD1 4.3Å; R754-L882 HydrophobicContact CG-CD1 4.3Å; K758-L882 HydrophobicContact CB-CD2 4.18Å; K758-L882 HydrophobicContact CD-CD2 4.29Å; L879-L882 PolarHBondContact O-N 2.99Å; N880-L882 VanDerWaalsContact C-N 3.28Å
883	V	96.1	Very high	91.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-124.4	107.4	-173.5	-176	0	0	0	0	109	F643 L647 L760 L879 N880 E885 L888	F643-V883 HydrophobicContact CE2-CG1 3.56Å; F643-V883 HydrophobicContact CZ-CG1 3.69Å; L647-V883 HydrophobicContact CD1-CB 4.43Å; L647-V883 HydrophobicContact CD1-CG1 4.44Å; L647-V883 HydrophobicContact CD1-CG2 4.1Å; L647-V883 HydrophobicContact CD2-CG2 4.11Å; L760-V883 HydrophobicContact CB-CG2 4.01Å; L760-V883 HydrophobicContact CD1-CG2 4.1Å; L879-V883 HydrophobicContact CD1-CB 4.26Å; L879-V883 HydrophobicContact CD1-CG2 4.36Å; L879-V883 PolarHBondContact O-N 3.29Å; N880-V883 VanDerWaalsContact CA-O 3.31Å; N880-V883 WeakPolarHBondContact CA-O 3.19Å; N880-V883 PolarHBondContact OD1-O 3.44Å; V883-E885 PolarHBondContact O-N 2.77Å; V883-L888 HydrophobicContact CG1-CD1 4.01Å; V883-L888 HydrophobicContact CG1-CD2 3.98Å; V883-L888 HydrophobicContact CG1-CG 3.78Å
884	P	90.4	Very high	90.9	Very high	32 Å²	32	28.8 Å²	28.8	21%	0.208	15%	0.146	C	C	.	.			trans	-55.5	134.6	177.4	-19	23.6	0	0	0	112.8	I650 N886 L887	I650-P884 HydrophobicContact CD1-CG 3.42Å; I650-P884 VanDerWaalsContact CD1-CG 3.42Å; P884-N886 WeakPolarHBondContact CB-OD1 3.22Å; P884-N886 PolarHBondContact O-N 2.84Å; P884-N886 VanDerWaalsContact O-N 3.13Å; P884-L887 HydrophobicContact CB-CG 4.42Å; P884-L887 HydrophobicContact CG-CD1 4.15Å; P884-L887 HydrophobicContact CG-CG 4.47Å; P884-L887 WeakPolarHBondContact O-CB 3.28Å; P884-L887 PolarHBondContact O-N 3.37Å
885	E	82.8	Confident	90.4	Very high	73 Å²	73	27.2 Å²	27.2	34%	0.341	14%	0.139	S	C	.	.	H	α-helix	trans	-47.3	-43.2	179.9	-177.1	-165.8	-156.1	0	0	113.3	K557 N880 V883 L887 L888 A889	K557-E885 IonicContact NZ-OE2 3.43Å; K557-E885 PolarHBondContact NZ-OE2 2.79Å; N880-E885 PolarHBondContact OD1-N 3.31Å; V883-E885 PolarHBondContact O-N 2.77Å; E885-L887 PolarHBondContact O-N 3.4Å; E885-L888 PolarHBondContact O-N 3.21Å; E885-A889 PolarHBondContact O-N 2.97Å
886	N	81.2	Confident	90.1	Very high	80 Å²	80	27.1 Å²	27.1	43%	0.428	14%	0.139	S	C	.	.	H	α-helix	trans	-66.5	-22.8	-177	65.1	-57.9	0	0	0	113.7	P884	P884-N886 WeakPolarHBondContact CB-OD1 3.22Å; P884-N886 PolarHBondContact O-N 2.84Å; P884-N886 VanDerWaalsContact O-N 3.13Å
887	L	87.9	Confident	89.8	Confident	11 Å²	11	25.8 Å²	25.8	6%	0.058	13%	0.132	C	C	.	.	H	α-helix	trans	-77.9	-26.3	177	-69.2	-174.4	0	0	0	112.5	F643 E646 I650 P884 E885 I890	F643-L887 HydrophobicContact CD2-CB 3.89Å; F643-L887 HydrophobicContact CE2-CB 4.01Å; E646-L887 HydrophobicContact CB-CD1 4Å; E646-L887 HydrophobicContact CB-CD2 3.9Å; E646-L887 HydrophobicContact CG-CD2 4.3Å; I650-L887 HydrophobicContact CD1-CD1 3.8Å; P884-L887 HydrophobicContact CB-CG 4.42Å; P884-L887 HydrophobicContact CG-CD1 4.15Å; P884-L887 HydrophobicContact CG-CG 4.47Å; P884-L887 WeakPolarHBondContact O-CB 3.28Å; P884-L887 PolarHBondContact O-N 3.37Å; E885-L887 PolarHBondContact O-N 3.4Å; L887-I890 WeakPolarHBondContact O-CG1 3.4Å
888	L	89	Confident	89.5	Confident	1 Å²	1	20.8 Å²	20.8	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-82.1	-26.1	176.7	-66.5	176	0	0	0	112	F643 L760 I785 I786 L879 V883 E885 I890 F891 L896 L899	F643-L888 HydrophobicContact CD2-CD2 4.44Å; F643-L888 HydrophobicContact CE2-CD2 3.62Å; F643-L888 HydrophobicContact CE2-CG 4.35Å; F643-L888 HydrophobicContact CZ-CD2 4Å; L760-L888 HydrophobicContact CD1-CD2 4.2Å; I785-L888 HydrophobicContact CG2-CD1 4.1Å; I786-L888 HydrophobicContact CG2-CB 4.16Å; I786-L888 WeakPolarHBondContact CG2-O 3.33Å; L879-L888 HydrophobicContact CD2-CD1 3.77Å; L879-L888 HydrophobicContact CG-CD1 4.29Å; V883-L888 HydrophobicContact CG1-CD1 4.01Å; V883-L888 HydrophobicContact CG1-CD2 3.98Å; V883-L888 HydrophobicContact CG1-CG 3.78Å; E885-L888 PolarHBondContact O-N 3.21Å; L888-I890 PolarHBondContact O-N 2.86Å; L888-F891 PolarHBondContact O-N 2.84Å; L888-F891 VanDerWaalsContact O-N 3.09Å; L888-L896 HydrophobicContact CD2-CD1 3.92Å; L888-L899 HydrophobicContact CD2-CD2 4.12Å
889	A	82.3	Confident	89.3	Confident	21 Å²	21	21.7 Å²	21.7	17%	0.174	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-6.5	-178.8	0	0	0	0	0	115.2	E885 F891	E885-A889 PolarHBondContact O-N 2.97Å; A889-F891 VanDerWaalsContact C-N 3.32Å
890	I	83.2	Confident	89	Confident	3 Å²	3	21.8 Å²	21.8	2%	0.015	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-18.3	174.7	73.7	-179.1	0	0	0	112.8	N629 I630 K639 F642 F643 L887 L888	N629-I890 WeakPolarHBondContact O-CG2 3.3Å; I630-I890 HydrophobicContact CG2-CB 4Å; I630-I890 HydrophobicContact CG2-CG2 4.01Å; K639-I890 HydrophobicContact CB-CD1 3.98Å; K639-I890 HydrophobicContact CB-CG1 4.38Å; K639-I890 WeakPolarHBondContact CD-O 3.48Å; K639-I890 WeakPolarHBondContact CE-O 3.46Å; K639-I890 HydrophobicContact CG-CD1 4.43Å; F642-I890 HydrophobicContact CD1-CD1 4.06Å; F643-I890 HydrophobicContact CB-CD1 4.25Å; L887-I890 WeakPolarHBondContact O-CG1 3.4Å; L888-I890 PolarHBondContact O-N 2.86Å
891	F	85.4	Confident	88.7	Confident	5 Å²	5	19.3 Å²	19.3	2%	0.022	10%	0.102	C	C	.	.	S	Bend	trans	-99	145.8	-179.6	-56.9	-74.9	0	0	0	110.2	F636 K639 V640 F643 I786 L888 A889 E895 L896 L899	F636-F891 HydrophobicContact CD2-CD1 4.27Å; F636-F891 HydrophobicContact CD2-CE1 4.29Å; F636-F891 HydrophobicContact CE2-CD1 4.22Å; F636-F891 HydrophobicContact CE2-CE1 4.18Å; K639-F891 HydrophobicContact CB-CD1 4.11Å; K639-F891 HydrophobicContact CB-CE1 3.49Å; K639-F891 VanDerWaalsContact CB-CE1 3.49Å; K639-F891 HydrophobicContact CB-CZ 4.07Å; K639-F891 HydrophobicContact CD-CD1 4.21Å; K639-F891 HydrophobicContact CD-CE1 4.41Å; V640-F891 HydrophobicContact CG2-CE1 4.03Å; V640-F891 HydrophobicContact CG2-CZ 4.4Å; F643-F891 HydrophobicContact CB-CE2 3.92Å; F643-F891 HydrophobicContact CB-CZ 3.74Å; F643-F891 AromaticContact CD2-CE2 3.86Å; F643-F891 HydrophobicContact CD2-CE2 3.86Å; F643-F891 HydrophobicContact CD2-CZ 4.5Å; F643-F891 AromaticContact CG-CE2 3.9Å; F643-F891 HydrophobicContact CG-CE2 3.9Å; F643-F891 HydrophobicContact CG-CZ 4.09Å; I786-F891 WeakPolarHBondContact CD1-O 3.16Å; L888-F891 PolarHBondContact O-N 2.84Å; L888-F891 VanDerWaalsContact O-N 3.09Å; A889-F891 VanDerWaalsContact C-N 3.32Å; F891-E895 WeakPolarHBondContact CA-OE2 3.35Å; F891-E895 HydrophobicContact CB-CB 3.93Å; F891-E895 HydrophobicContact CD1-CB 3.95Å; F891-E895 HydrophobicContact CG-CB 4.4Å; F891-L896 HydrophobicContact CB-CB 4.41Å; F891-L899 HydrophobicContact CD2-CD2 3.93Å; F891-L899 HydrophobicContact CE2-CD2 3.57Å; F891-L899 HydrophobicContact CZ-CD1 4.4Å; F891-L899 HydrophobicContact CZ-CD2 3.91Å
892	D	83.4	Confident	88.2	Confident	34 Å²	34	17 Å²	17	18%	0.182	9%	0.092	C	C	.	.			trans	-78.4	-179.6	161.8	65.9	51.5	0	0	0	111.4	N894 E895 L896	D892-N894 VanDerWaalsContact C-N 3.32Å; D892-N894 PolarHBondContact O-N 2.83Å; D892-N894 WeakPolarHBondContact OD1-CA 3.43Å; D892-N894 WeakPolarHBondContact OD1-CB 3.49Å; D892-N894 PolarHBondContact OD1-N 3Å; D892-E895 PolarHBondContact N-OE2 3.11Å; D892-E895 PolarHBondContact OD1-N 2.8Å; D892-E895 WeakPolarHBondContact OD2-CG 3.37Å; D892-L896 WeakPolarHBondContact O-CB 3.29Å; D892-L896 PolarHBondContact O-N 2.75Å
893	E	86.6	Confident	87.4	Confident	24 Å²	24	18.7 Å²	18.7	11%	0.112	10%	0.103	C	C	.	.	H	α-helix	trans	-65.6	-33.1	-178.6	-51.9	87.5	165.2	0	0	113.1	R779 L782 A783 I786 L788 Y794 E897	R779-E893 PolarHBondContact NH1-O 3.29Å; L782-E893 HydrophobicContact CB-CB 4.01Å; L782-E893 HydrophobicContact CB-CG 4.41Å; L782-E893 WeakPolarHBondContact CD1-O 3.14Å; A783-E893 HydrophobicContact CB-CG 3.71Å; I786-E893 HydrophobicContact CD1-CG 4.35Å; L788-E893 VanDerWaalsContact CD1-OE1 3.24Å; L788-E893 WeakPolarHBondContact CD1-OE1 3.07Å; Y794-E893 HydrophobicContact CE1-CG 4.44Å; Y794-E893 PolarHBondContact OH-OE1 3.23Å; E893-E897 PolarHBondContact O-N 2.77Å
894	N	86.2	Confident	86.4	Confident	23 Å²	23	20.6 Å²	20.6	12%	0.123	12%	0.123	C	C	.	.	H	α-helix	trans	-76	-45.1	-179.3	-66.8	-50.6	0	0	0	110.9	R779 D892 L896 E897 L898 Q949 S1013	R779-N894 PolarHBondContact NE-OD1 3.39Å; R779-N894 PolarHBondContact NH1-OD1 3.39Å; R779-N894 VanDerWaalsContact NH1-OD1 3.14Å; R779-N894 PolarHBondContact NH2-OD1 3.05Å; D892-N894 VanDerWaalsContact C-N 3.32Å; D892-N894 PolarHBondContact O-N 2.83Å; D892-N894 WeakPolarHBondContact OD1-CA 3.43Å; D892-N894 WeakPolarHBondContact OD1-CB 3.49Å; D892-N894 PolarHBondContact OD1-N 3Å; N894-L896 VanDerWaalsContact C-N 3.33Å; N894-E897 PolarHBondContact O-N 3.49Å; N894-L898 WeakPolarHBondContact O-CG 3.08Å; N894-L898 PolarHBondContact O-N 3.02Å; N894-Q949 PolarHBondContact O-NE2 3.11Å; N894-S1013 PolarHBondContact ND2-O 3.21Å
895	E	88	Confident	85.9	Confident	15 Å²	15	26 Å²	26	7%	0.07	15%	0.15	C	C	.	.	H	α-helix	trans	-61.9	-40.3	173	-71.5	-176.1	139.5	0	0	111.4	F636 K639 F891 D892 E897 L898 L899	F636-E895 HydrophobicContact CD2-CB 3.7Å; F636-E895 HydrophobicContact CD2-CG 3.6Å; F636-E895 HydrophobicContact CE2-CB 3.85Å; F636-E895 HydrophobicContact CE2-CG 4.24Å; F636-E895 WeakPolarHBondContact CE2-O 3.26Å; F636-E895 HydrophobicContact CG-CG 4.36Å; K639-E895 IonicContact NZ-OE1 3.6Å; K639-E895 PolarHBondContact NZ-OE1 3.39Å; K639-E895 IonicContact NZ-OE2 3.65Å; K639-E895 PolarHBondContact NZ-OE2 3.03Å; F891-E895 WeakPolarHBondContact CA-OE2 3.35Å; F891-E895 HydrophobicContact CB-CB 3.93Å; F891-E895 HydrophobicContact CD1-CB 3.95Å; F891-E895 HydrophobicContact CG-CB 4.4Å; D892-E895 PolarHBondContact N-OE2 3.11Å; D892-E895 PolarHBondContact OD1-N 2.8Å; D892-E895 WeakPolarHBondContact OD2-CG 3.37Å; E895-E897 PolarHBondContact O-N 3.31Å; E895-L898 PolarHBondContact O-N 2.68Å; E895-L899 WeakPolarHBondContact O-CB 3.49Å; E895-L899 PolarHBondContact O-N 2.92Å
896	L	91.8	Very high	86.2	Confident	0 Å²	0	23 Å²	23	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.1	-42	176.5	-177.2	65.6	0	0	0	111.7	L782 I785 I786 L888 F891 D892 N894 L899 M900	L782-L896 HydrophobicContact CB-CD2 4.14Å; L782-L896 HydrophobicContact CD2-CD2 3.96Å; L782-L896 HydrophobicContact CD2-CG 4.3Å; I785-L896 HydrophobicContact CB-CD2 4.1Å; I785-L896 HydrophobicContact CG2-CD2 3.93Å; I786-L896 HydrophobicContact CG2-CD2 3.87Å; L888-L896 HydrophobicContact CD2-CD1 3.92Å; F891-L896 HydrophobicContact CB-CB 4.41Å; D892-L896 WeakPolarHBondContact O-CB 3.29Å; D892-L896 PolarHBondContact O-N 2.75Å; N894-L896 VanDerWaalsContact C-N 3.33Å; L896-L899 HydrophobicContact CD1-CD2 4.37Å; L896-L899 PolarHBondContact O-N 3.19Å; L896-M900 HydrophobicContact CD1-CG 4.29Å; L896-M900 HydrophobicContact CD1-SD 3.93Å; L896-M900 HydrophobicContact CD2-SD 4.36Å; L896-M900 HydrophobicContact CG-SD 3.82Å; L896-M900 WeakPolarHBondContact O-CB 3.48Å; L896-M900 WeakPolarHBondContact O-CG 3.49Å; L896-M900 PolarHBondContact O-N 3.48Å
897	E	92.2	Very high	86.4	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.5	-47.4	172.4	-170	-170.7	-154.8	0	0	110.4	R779 L782 E893 N894 E895 L899 M900 C901 Q949 S954 S955	R779-E897 IonicContact CZ-OE2 3.43Å; R779-E897 VanDerWaalsContact CZ-OE2 3.27Å; R779-E897 IonicContact NH1-OE2 3.28Å; R779-E897 PolarHBondContact NH1-OE2 3.48Å; R779-E897 IonicContact NH2-OE1 2.75Å; R779-E897 IonicContact NH2-OE2 2.68Å; R779-E897 PolarHBondContact NH2-OE2 2.98Å; L782-E897 HydrophobicContact CD1-CB 3.85Å; L782-E897 HydrophobicContact CD1-CG 4.44Å; E893-E897 PolarHBondContact O-N 2.77Å; N894-E897 PolarHBondContact O-N 3.49Å; E895-E897 PolarHBondContact O-N 3.31Å; E897-L899 VanDerWaalsContact C-N 3.31Å; E897-L899 PolarHBondContact O-N 3Å; E897-M900 PolarHBondContact O-N 3.17Å; E897-C901 HydrophobicContact CG-CB 4.28Å; E897-C901 WeakPolarHBondContact O-CA 3.4Å; E897-C901 WeakPolarHBondContact O-CB 3.39Å; E897-C901 PolarHBondContact O-N 3.45Å; E897-Q949 PolarHBondContact OE2-NE2 2.93Å; E897-S954 WeakPolarHBondContact OE1-CB 3.31Å; E897-S954 PolarHBondContact OE1-OG 3.37Å; E897-S955 VanDerWaalsContact CD-OG 3.23Å; E897-S955 PolarHBondContact OE1-N 3.38Å; E897-S955 PolarHBondContact OE2-N 3.16Å; E897-S955 PolarHBondContact OE2-OG 3.43Å
898	L	90.4	Very high	86.5	Confident	7 Å²	7	24 Å²	24	4%	0.037	14%	0.142	C	C	.	.	H	α-helix	trans	-61.7	-38.6	178.5	-68.7	173.7	0	0	0	112.4	F636 N894 E895 G902 T903 A945 R946	F636-L898 HydrophobicContact CE1-CB 4.1Å; F636-L898 HydrophobicContact CE1-CD1 4.45Å; F636-L898 HydrophobicContact CE2-CB 4.15Å; F636-L898 HydrophobicContact CZ-CB 3.56Å; F636-L898 HydrophobicContact CZ-CD1 4.49Å; N894-L898 WeakPolarHBondContact O-CG 3.08Å; N894-L898 PolarHBondContact O-N 3.02Å; E895-L898 PolarHBondContact O-N 2.68Å; L898-G902 WeakPolarHBondContact O-CA 3.45Å; L898-G902 PolarHBondContact O-N 2.97Å; L898-T903 HydrophobicContact CD2-CG2 4.3Å; L898-A945 HydrophobicContact CD2-CB 3.75Å; L898-R946 HydrophobicContact CD1-CG 4.36Å
899	L	92.1	Very high	86.4	Confident	19 Å²	19	30.1 Å²	30.1	10%	0.099	17%	0.17	C	C	.	.	H	α-helix	trans	-63.8	-46.2	176.4	177.1	70.7	0	0	0	111.5	V640 F643 L760 L888 F891 E895 L896 E897	V640-L899 HydrophobicContact CG1-CD1 4.34Å; V640-L899 HydrophobicContact CG2-CD1 4.07Å; F643-L899 HydrophobicContact CD1-CD1 4.09Å; F643-L899 HydrophobicContact CD1-CD2 4.25Å; F643-L899 HydrophobicContact CE1-CD1 4.26Å; F643-L899 HydrophobicContact CE1-CD2 4.1Å; F643-L899 HydrophobicContact CZ-CD2 4.28Å; L760-L899 HydrophobicContact CD2-CD1 4.45Å; L760-L899 HydrophobicContact CD2-CD2 3.93Å; L760-L899 HydrophobicContact CD2-CG 3.71Å; L888-L899 HydrophobicContact CD2-CD2 4.12Å; F891-L899 HydrophobicContact CD2-CD2 3.93Å; F891-L899 HydrophobicContact CE2-CD2 3.57Å; F891-L899 HydrophobicContact CZ-CD1 4.4Å; F891-L899 HydrophobicContact CZ-CD2 3.91Å; E895-L899 WeakPolarHBondContact O-CB 3.49Å; E895-L899 PolarHBondContact O-N 2.92Å; L896-L899 HydrophobicContact CD1-CD2 4.37Å; L896-L899 PolarHBondContact O-N 3.19Å; E897-L899 VanDerWaalsContact C-N 3.31Å; E897-L899 PolarHBondContact O-N 3Å
900	M	93.3	Very high	86.8	Confident	3 Å²	3	31.2 Å²	31.2	2%	0.015	17%	0.174	C	C	.	.	H	α-helix	trans	-77.6	-45.3	-176.1	-72.1	174.8	49.9	0	0	112.6	V756 L760 V773 F777 L782 L896 E897	V756-M900 HydrophobicContact CG1-CE 3.54Å; V756-M900 HydrophobicContact CG1-SD 4.2Å; V756-M900 HydrophobicContact CG2-CE 4.33Å; L760-M900 HydrophobicContact CD1-CG 4.44Å; L760-M900 HydrophobicContact CD2-CG 3.97Å; L760-M900 HydrophobicContact CG-CG 4.48Å; V773-M900 HydrophobicContact CB-CB 4.35Å; V773-M900 HydrophobicContact CG1-CE 4.47Å; V773-M900 HydrophobicContact CG2-CB 4.18Å; V773-M900 HydrophobicContact CG2-CE 4.34Å; V773-M900 PolarHBondContact N-O 2.98Å; F777-M900 HydrophobicContact CD2-CE 3.93Å; F777-M900 HydrophobicContact CE2-CE 3.51Å; L782-M900 HydrophobicContact CD2-SD 4.37Å; L896-M900 HydrophobicContact CD1-CG 4.29Å; L896-M900 HydrophobicContact CD1-SD 3.93Å; L896-M900 HydrophobicContact CD2-SD 4.36Å; L896-M900 HydrophobicContact CG-SD 3.82Å; L896-M900 WeakPolarHBondContact O-CB 3.48Å; L896-M900 WeakPolarHBondContact O-CG 3.49Å; L896-M900 PolarHBondContact O-N 3.48Å; E897-M900 PolarHBondContact O-N 3.17Å
901	C	89.9	Confident	87.3	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.007	17%	0.174	C	C	.	.	H	α-helix	trans	-105.4	-14.7	-165	-62.9	0	0	0	0	112.7	A775 E897 Q956	A775-C901 PolarHBondContact O-SG 3Å; E897-C901 HydrophobicContact CG-CB 4.28Å; E897-C901 WeakPolarHBondContact O-CA 3.4Å; E897-C901 WeakPolarHBondContact O-CB 3.39Å; E897-C901 PolarHBondContact O-N 3.45Å; C901-Q956 HydrophobicContact CB-CG 4.47Å; C901-Q956 PolarHBondContact O-NE2 2.97Å; C901-Q956 VanDerWaalsContact O-NE2 3.08Å
902	G	85.1	Confident	87.6	Confident	3 Å²	3	36 Å²	36	3%	0.031	19%	0.194	C	C	.	.			trans	77.2	174.6	-178.3	0	0	0	0	0	113.7	L898 G904	L898-G902 WeakPolarHBondContact O-CA 3.45Å; L898-G902 PolarHBondContact O-N 2.97Å; G902-G904 VanDerWaalsContact C-N 3.25Å; G902-G904 PolarHBondContact O-N 3.45Å
903	T	77.8	Confident	88	Confident	37 Å²	37	38.1 Å²	38.1	23%	0.227	22%	0.216	C	C	.	.			trans	-78.8	-3.8	179.9	54.5	0	0	0	0	114	L898 E942 A945	L898-T903 HydrophobicContact CD2-CG2 4.3Å; T903-E942 HydrophobicContact CG2-CB 4.14Å; T903-A945 HydrophobicContact CG2-CB 4.42Å
904	G	75.9	Confident	88.4	Confident	41 Å²	41	39.6 Å²	39.6	42%	0.423	22%	0.223	S	C	.	.			trans	63.3	-168.8	-170.1	0	0	0	0	0	113.4	G902	G902-G904 VanDerWaalsContact C-N 3.25Å; G902-G904 PolarHBondContact O-N 3.45Å
905	N	80.2	Confident	88.7	Confident	145 Å²	145	39.3 Å²	39.3	78%	0.775	22%	0.224	S	C	*	.			trans	-126.3	85.9	168.1	-177.5	18.8	0	0	0	107.8	N907	N905-N907 PolarHBondContact O-N 2.96Å
906	I	87.4	Confident	89.1	Confident	9 Å²	9	42 Å²	42	5%	0.046	24%	0.241	C	C	.	.			trans	-80.6	116.8	-175.9	-63.8	168.9	0	0	0	108.4	Q941 L944 A945 L948 F962	I906-Q941 PolarHBondContact O-NE2 3.06Å; I906-Q941 VanDerWaalsContact O-NE2 3.15Å; I906-L944 HydrophobicContact CB-CB 4.16Å; I906-L944 HydrophobicContact CB-CD1 4.3Å; I906-L944 VanDerWaalsContact CD1-C 3.48Å; I906-L944 HydrophobicContact CD1-CB 3.85Å; I906-L944 WeakPolarHBondContact CD1-O 3.45Å; I906-L944 HydrophobicContact CG2-CB 4.28Å; I906-L944 HydrophobicContact CG2-CD1 4.4Å; I906-A945 HydrophobicContact CD1-CB 4.25Å; I906-L948 HydrophobicContact CD1-CB 4.26Å; I906-L948 HydrophobicContact CD1-CD2 4.11Å; I906-F962 HydrophobicContact CG2-CE2 4.01Å; I906-F962 HydrophobicContact CG2-CZ 4.19Å
907	N	87	Confident	89.3	Confident	90 Å²	90	44.9 Å²	44.9	48%	0.481	26%	0.256	S	S	.	.			trans	-87	110.8	176.1	-176.7	-13.4	0	0	0	110	N905 Q909 D910 F911	N905-N907 PolarHBondContact O-N 2.96Å; N907-Q909 PolarHBondContact O-N 3.25Å; N907-Q909 WeakPolarHBondContact OD1-CB 3.2Å; N907-Q909 PolarHBondContact OD1-N 3.41Å; N907-D910 HydrophobicContact CB-CB 3.93Å; N907-D910 PolarHBondContact O-N 2.99Å; N907-D910 PolarHBondContact OD1-N 3.4Å; N907-F911 PolarHBondContact O-N 3.36Å
908	V	89	Confident	89.4	Confident	22 Å²	22	47.8 Å²	47.8	13%	0.133	27%	0.273	C	S	.	.	H	α-helix	trans	-63.5	-29.1	-179.6	-179.7	0	0	0	0	112.5	K912 W933 V936 L944	V908-K912 WeakPolarHBondContact O-CB 3.37Å; V908-K912 PolarHBondContact O-N 2.99Å; V908-W933 HydrophobicContact CG1-CE3 4.48Å; V908-V936 HydrophobicContact CG1-CG1 3.85Å; V908-V936 HydrophobicContact CG2-CG1 4.21Å; V908-L944 HydrophobicContact CG2-CD1 3.85Å; V908-L944 HydrophobicContact CG2-CD2 4.04Å
909	Q	87.6	Confident	89.4	Confident	130 Å²	130	49.4 Å²	49.4	61%	0.607	29%	0.292	S	S	*	.	H	α-helix	trans	-71.3	-40.9	176.1	-59.7	-59.5	-24.6	0	0	111.5	N907 F911 K912 A913	N907-Q909 PolarHBondContact O-N 3.25Å; N907-Q909 WeakPolarHBondContact OD1-CB 3.2Å; N907-Q909 PolarHBondContact OD1-N 3.41Å; Q909-F911 VanDerWaalsContact C-N 3.33Å; Q909-K912 PolarHBondContact O-N 2.76Å; Q909-A913 WeakPolarHBondContact O-CB 3.46Å; Q909-A913 PolarHBondContact O-N 3.43Å
910	D	89.6	Confident	89.2	Confident	45 Å²	45	50.2 Å²	50.2	24%	0.241	31%	0.305	C	S	.	.	H	α-helix	trans	-63	-42.4	173.5	-175.1	47.3	0	0	0	111	N907 A913 H914 F962	N907-D910 HydrophobicContact CB-CB 3.93Å; N907-D910 PolarHBondContact O-N 2.99Å; N907-D910 PolarHBondContact OD1-N 3.4Å; D910-A913 PolarHBondContact O-N 2.86Å; D910-H914 PolarHBondContact O-N 3.49Å; D910-H914 PolarHBondContact O-ND1 3.21Å; D910-H914 IonicContact OD1-CE1 3.15Å; D910-H914 PolarHBondContact OD1-CE1 3.32Å; D910-H914 IonicContact OD1-ND1 3.4Å; D910-H914 PolarHBondContact OD1-ND1 2.95Å; D910-F962 HydrophobicContact CB-CD2 4.46Å; D910-F962 WeakPolarHBondContact OD2-CD2 3.2Å; D910-F962 PolarHBondContact OD2-N 3.37Å
911	F	93.7	Very high	88.9	Confident	5 Å²	5	53 Å²	53	2%	0.022	33%	0.325	C	S	.	.	H	α-helix	trans	-57.5	-51.9	174.6	-172.5	-173.5	0	0	0	111.3	N907 Q909 A913 H914 A915 W933 V936 L947 F962 F969	N907-F911 PolarHBondContact O-N 3.36Å; Q909-F911 VanDerWaalsContact C-N 3.33Å; F911-A913 VanDerWaalsContact C-N 3.32Å; F911-A913 PolarHBondContact O-N 3.31Å; F911-H914 PolarHBondContact O-N 2.97Å; F911-A915 HydrophobicContact CD2-CB 4.37Å; F911-A915 HydrophobicContact CE2-CB 4.34Å; F911-A915 WeakPolarHBondContact O-CB 2.99Å; F911-A915 PolarHBondContact O-N 3.49Å; F911-A915 VanDerWaalsContact O-N 3.08Å; F911-W933 HydrophobicContact CB-CZ3 4.4Å; F911-W933 HydrophobicContact CD1-CH2 4.37Å; F911-W933 AromaticContact CD1-CZ3 3.9Å; F911-W933 HydrophobicContact CD1-CZ3 3.9Å; F911-W933 HydrophobicContact CD2-CH2 4Å; F911-W933 HydrophobicContact CD2-CZ3 4.31Å; F911-W933 HydrophobicContact CE1-CZ3 4.22Å; F911-W933 HydrophobicContact CE2-CH2 4.13Å; F911-W933 HydrophobicContact CG-CH2 4.11Å; F911-W933 AromaticContact CG-CZ3 3.94Å; F911-W933 HydrophobicContact CG-CZ3 3.94Å; F911-W933 HydrophobicContact CZ-CH2 4.39Å; F911-V936 HydrophobicContact CD1-CG1 4.12Å; F911-V936 HydrophobicContact CE1-CG1 4.21Å; F911-L947 HydrophobicContact CE1-CD2 3.99Å; F911-F962 VanDerWaalsContact CA-CD2 3.5Å; F911-F962 HydrophobicContact CB-CD1 4.37Å; F911-F962 HydrophobicContact CB-CD2 3.84Å; F911-F962 HydrophobicContact CB-CE1 4.06Å; F911-F962 HydrophobicContact CB-CE2 3.43Å; F911-F962 VanDerWaalsContact CB-CE2 3.43Å; F911-F962 HydrophobicContact CB-CG 4.29Å; F911-F962 HydrophobicContact CB-CZ 3.57Å; F911-F962 HydrophobicContact CD1-CE1 4.22Å; F911-F962 HydrophobicContact CD1-CE2 4.47Å; F911-F962 AromaticContact CD1-CZ 3.82Å; F911-F962 HydrophobicContact CD1-CZ 3.82Å; F911-F962 AromaticContact CD2-CD1 3.54Å; F911-F962 HydrophobicContact CD2-CD1 3.54Å; F911-F962 AromaticContact CD2-CE1 3.15Å; F911-F962 HydrophobicContact CD2-CE1 3.15Å; F911-F962 HydrophobicContact CD2-CE2 4.2Å; F911-F962 HydrophobicContact CD2-CG 4.23Å; F911-F962 AromaticContact CD2-CZ 3.53Å; F911-F962 HydrophobicContact CD2-CZ 3.53Å; F911-F962 HydrophobicContact CE1-CZ 4.39Å; F911-F962 HydrophobicContact CE2-CD1 4.14Å; F911-F962 AromaticContact CE2-CE1 3.56Å; F911-F962 HydrophobicContact CE2-CE1 3.56Å; F911-F962 HydrophobicContact CE2-CZ 4.15Å; F911-F962 HydrophobicContact CG-CD1 4.15Å; F911-F962 HydrophobicContact CG-CD2 4.4Å; F911-F962 AromaticContact CG-CE1 3.55Å; F911-F962 HydrophobicContact CG-CE1 3.55Å; F911-F962 AromaticContact CG-CE2 3.81Å; F911-F962 HydrophobicContact CG-CE2 3.81Å; F911-F962 AromaticContact CG-CZ 3.35Å; F911-F962 HydrophobicContact CG-CZ 3.35Å; F911-F962 HydrophobicContact CZ-CE1 4.24Å; F911-F969 HydrophobicContact CE2-CB 4.38Å; F911-F969 AromaticContact CE2-CD1 3.52Å; F911-F969 HydrophobicContact CE2-CD1 3.52Å; F911-F969 AromaticContact CE2-CD2 3.71Å; F911-F969 HydrophobicContact CE2-CD2 3.71Å; F911-F969 AromaticContact CE2-CE1 3.58Å; F911-F969 HydrophobicContact CE2-CE1 3.58Å; F911-F969 AromaticContact CE2-CE2 3.73Å; F911-F969 HydrophobicContact CE2-CE2 3.73Å; F911-F969 AromaticContact CE2-CG 3.6Å; F911-F969 HydrophobicContact CE2-CG 3.6Å; F911-F969 AromaticContact CE2-CZ 3.68Å; F911-F969 HydrophobicContact CE2-CZ 3.68Å; F911-F969 HydrophobicContact CZ-CD1 4.14Å; F911-F969 HydrophobicContact CZ-CD2 4.19Å; F911-F969 AromaticContact CZ-CE1 3.69Å; F911-F969 HydrophobicContact CZ-CE1 3.69Å; F911-F969 AromaticContact CZ-CE2 3.72Å; F911-F969 HydrophobicContact CZ-CE2 3.72Å; F911-F969 HydrophobicContact CZ-CG 4.37Å; F911-F969 AromaticContact CZ-CZ 3.46Å; F911-F969 HydrophobicContact CZ-CZ 3.46Å; F911-F969 VanDerWaalsContact CZ-CZ 3.46Å
912	K	91.4	Very high	89	Confident	104 Å²	104	61.9 Å²	61.9	45%	0.452	36%	0.358	S	S	.	.	H	α-helix	trans	-63.3	-37	-179.2	-175.1	172.9	-177.4	-176.6	0	113	V908 Q909 H914 W933	V908-K912 WeakPolarHBondContact O-CB 3.37Å; V908-K912 PolarHBondContact O-N 2.99Å; Q909-K912 PolarHBondContact O-N 2.76Å; K912-H914 VanDerWaalsContact C-N 3.27Å; K912-H914 PolarHBondContact O-N 3.07Å; K912-W933 VanDerWaalsContact CA-CH2 3.46Å; K912-W933 HydrophobicContact CB-CD2 4.06Å; K912-W933 HydrophobicContact CB-CE3 3.86Å; K912-W933 HydrophobicContact CB-CH2 3.97Å; K912-W933 HydrophobicContact CB-CZ2 4.15Å; K912-W933 HydrophobicContact CB-CZ3 3.81Å; K912-W933 HydrophobicContact CD-CB 4.34Å; K912-W933 HydrophobicContact CD-CD2 3.84Å; K912-W933 HydrophobicContact CD-CE3 4.27Å; K912-W933 HydrophobicContact CD-CG 3.83Å; K912-W933 HydrophobicContact CG-CD2 3.76Å; K912-W933 HydrophobicContact CG-CE3 4.1Å; K912-W933 HydrophobicContact CG-CG 4.22Å; K912-W933 HydrophobicContact CG-CH2 4.34Å; K912-W933 HydrophobicContact CG-CZ2 4.01Å; K912-W933 HydrophobicContact CG-CZ3 4.37Å
913	A	92.6	Very high	89	Confident	77 Å²	77	64.4 Å²	64.4	64%	0.636	37%	0.369	S	S	*	.	H	α-helix	trans	-66.3	-28.3	-179.2	0	0	0	0	0	113.3	Q909 D910 F911	Q909-A913 WeakPolarHBondContact O-CB 3.46Å; Q909-A913 PolarHBondContact O-N 3.43Å; D910-A913 PolarHBondContact O-N 2.86Å; F911-A913 VanDerWaalsContact C-N 3.32Å; F911-A913 PolarHBondContact O-N 3.31Å
914	H	94.3	Very high	89.6	Confident	55 Å²	55	62.6 Å²	62.6	26%	0.255	36%	0.358	S	S	.	.	H	α-helix	trans	-113.2	2.5	-173.7	-58.8	99.7	0	0	0	113.9	D910 F911 K912 F962 N963	D910-H914 PolarHBondContact O-N 3.49Å; D910-H914 PolarHBondContact O-ND1 3.21Å; D910-H914 IonicContact OD1-CE1 3.15Å; D910-H914 PolarHBondContact OD1-CE1 3.32Å; D910-H914 IonicContact OD1-ND1 3.4Å; D910-H914 PolarHBondContact OD1-ND1 2.95Å; F911-H914 PolarHBondContact O-N 2.97Å; K912-H914 VanDerWaalsContact C-N 3.27Å; K912-H914 PolarHBondContact O-N 3.07Å; H914-F962 HydrophobicContact CB-CB 3.84Å; H914-N963 WeakPolarHBondContact NE2-CB 3.46Å
915	A	94.3	Very high	90.1	Very high	18 Å²	18	66.5 Å²	66.5	15%	0.149	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-84.2	130.4	174.6	0	0	0	0	0	111.4	F911 W933 F969	F911-A915 HydrophobicContact CD2-CB 4.37Å; F911-A915 HydrophobicContact CE2-CB 4.34Å; F911-A915 WeakPolarHBondContact O-CB 2.99Å; F911-A915 PolarHBondContact O-N 3.49Å; F911-A915 VanDerWaalsContact O-N 3.08Å; A915-W933 HydrophobicContact CB-CH2 3.74Å; A915-W933 HydrophobicContact CB-CZ2 3.73Å; A915-F969 WeakPolarHBondContact CA-O 3.41Å; A915-F969 HydrophobicContact CB-CD1 4.06Å
916	V	95.6	Very high	90.2	Very high	71 Å²	71	63.3 Å²	63.3	43%	0.43	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	127.4	179.7	-179.5	0	0	0	0	110.2	V918 F969 Q970 I971	V916-V918 HydrophobicContact CG1-CG2 4.15Å; V916-F969 PolarHBondContact N-O 2.96Å; V916-Q970 HydrophobicContact CB-CG 4.15Å; V916-Q970 CarbonylContact O-C 3.45Å; V916-Q970 VanDerWaalsContact O-CA 3.3Å; V916-Q970 WeakPolarHBondContact O-CA 3.34Å; V916-I971 PolarHBondContact O-N 3.36Å
917	I	96.1	Very high	90.1	Very high	61 Å²	61	67.4 Å²	67.4	31%	0.313	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	119.1	179.1	-57.2	162.3	0	0	0	109.6	F924 R925 M929 I971	I917-F924 HydrophobicContact CG2-CE1 4.22Å; I917-R925 PolarHBondContact O-NH2 3.35Å; I917-M929 HydrophobicContact CD1-CG 3.99Å; I917-M929 HydrophobicContact CD1-SD 4.01Å; I917-M929 HydrophobicContact CG1-SD 4.04Å; I917-M929 HydrophobicContact CG2-CG 4.31Å; I917-M929 HydrophobicContact CG2-SD 4.06Å; I917-I971 WeakPolarHBondContact CA-O 3.31Å
918	V	93.4	Very high	89.9	Confident	60 Å²	60	63.1 Å²	63.1	36%	0.364	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	126.6	-175.1	-175.2	0	0	0	0	110.4	V916 Q970 I971 I972 A973	V916-V918 HydrophobicContact CG1-CG2 4.15Å; V918-Q970 HydrophobicContact CG2-CG 4.36Å; V918-I971 PolarHBondContact N-O 2.95Å; V918-I972 HydrophobicContact CB-CG1 4.21Å; V918-A973 PolarHBondContact O-N 3.12Å
919	G	90.8	Very high	89.9	Confident	42 Å²	42	62.3 Å²	62.3	43%	0.433	33%	0.33	S	S	.	.	S	Bend	trans	69.9	-157.3	-179.6	0	0	0	0	0	114.1	R925	G919-R925 PolarHBondContact O-NE 3.49Å; G919-R925 PolarHBondContact O-NH2 3.04Å; G919-R925 VanDerWaalsContact O-NH2 3.1Å
920	G	87.8	Confident	89.7	Confident	35 Å²	35	62 Å²	62	36%	0.361	33%	0.327	S	S	.	.			trans	95.5	146.7	173.7	0	0	0	0	0	115.3	A973	G920-A973 VanDerWaalsContact N-CB 3.32Å
921	S	88.2	Confident	89.5	Confident	63 Å²	63	62.5 Å²	62.5	44%	0.441	33%	0.325	S	S	.	.			trans	-67.2	169.8	172.4	68.5	0	0	0	0	111.7	H923 F924 R925	S921-H923 VanDerWaalsContact C-N 3.27Å; S921-H923 PolarHBondContact O-N 3.39Å; S921-F924 WeakPolarHBondContact O-CB 3.06Å; S921-F924 PolarHBondContact O-N 3.34Å; S921-F924 VanDerWaalsContact O-N 3.15Å; S921-F924 PolarHBondContact OG-N 2.94Å; S921-F924 VanDerWaalsContact OG-N 3.14Å; S921-R925 PolarHBondContact O-N 3.5Å
922	W	91.3	Very high	89.3	Confident	186 Å²	186	62.3 Å²	62.3	71%	0.705	32%	0.324	S	S	*	.	H	α-helix	trans	-55.1	-44.5	171.4	178.4	86.8	0	0	0	111.6	F924 R925 E926	W922-F924 VanDerWaalsContact C-N 3.34Å; W922-F924 PolarHBondContact O-N 3.23Å; W922-R925 PolarHBondContact O-N 3.44Å; W922-E926 HydrophobicContact CD2-CB 4.42Å; W922-E926 HydrophobicContact CD2-CG 4.34Å; W922-E926 HydrophobicContact CG-CG 4.44Å; W922-E926 HydrophobicContact CZ2-CB 4.27Å; W922-E926 HydrophobicContact CZ2-CG 4.25Å; W922-E926 WeakPolarHBondContact O-CB 3.44Å; W922-E926 PolarHBondContact O-N 3.11Å
923	H	84.2	Confident	89.2	Confident	56 Å²	56	58.2 Å²	58.2	26%	0.259	31%	0.306	S	S	.	.	H	α-helix	trans	-59.7	-43.5	176.2	178.6	70	0	0	0	111.8	S921 K927 V928 W931 Y995	S921-H923 VanDerWaalsContact C-N 3.27Å; S921-H923 PolarHBondContact O-N 3.39Å; H923-K927 WeakPolarHBondContact O-CA 3.47Å; H923-K927 VanDerWaalsContact O-CB 3.25Å; H923-K927 WeakPolarHBondContact O-CB 3.41Å; H923-K927 PolarHBondContact O-N 2.74Å; H923-V928 PolarHBondContact O-N 3.49Å; H923-W931 AromaticContact CE1-CH2 3.93Å; H923-Y995 PolarHBondContact NE2-O 3.49Å
924	F	90.9	Very high	88	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.292	C	S	.	.	I	π-helix	trans	-59.6	-52	176.5	-177.2	-92.3	0	0	0	111.7	I917 S921 W922 V928 M929 I971 A973 L992	I917-F924 HydrophobicContact CG2-CE1 4.22Å; S921-F924 WeakPolarHBondContact O-CB 3.06Å; S921-F924 PolarHBondContact O-N 3.34Å; S921-F924 VanDerWaalsContact O-N 3.15Å; S921-F924 PolarHBondContact OG-N 2.94Å; S921-F924 VanDerWaalsContact OG-N 3.14Å; W922-F924 VanDerWaalsContact C-N 3.34Å; W922-F924 PolarHBondContact O-N 3.23Å; F924-V928 HydrophobicContact CD2-CB 4.02Å; F924-V928 HydrophobicContact CD2-CG1 3.94Å; F924-V928 HydrophobicContact CD2-CG2 4.35Å; F924-V928 HydrophobicContact CE2-CG1 4.04Å; F924-V928 HydrophobicContact CG-CB 4.43Å; F924-V928 WeakPolarHBondContact O-CB 3.35Å; F924-V928 PolarHBondContact O-N 2.96Å; F924-M929 HydrophobicContact CD1-CE 4.18Å; F924-M929 HydrophobicContact CD1-CG 4.37Å; F924-M929 HydrophobicContact CD2-CE 4.45Å; F924-M929 HydrophobicContact CE1-CE 3.45Å; F924-M929 VanDerWaalsContact CE1-CE 3.45Å; F924-M929 HydrophobicContact CE1-CG 4.23Å; F924-M929 HydrophobicContact CE1-SD 3.91Å; F924-M929 HydrophobicContact CE2-CE 3.77Å; F924-M929 HydrophobicContact CZ-CE 3.23Å; F924-M929 HydrophobicContact CZ-SD 4.22Å; F924-M929 WeakPolarHBondContact O-CG 3.5Å; F924-M929 PolarHBondContact O-N 3.25Å; F924-I971 HydrophobicContact CZ-CG2 4.38Å; F924-A973 HydrophobicContact CD1-CB 3.79Å; F924-A973 HydrophobicContact CD2-CB 4.18Å; F924-A973 HydrophobicContact CE1-CB 3.57Å; F924-A973 HydrophobicContact CE2-CB 3.98Å; F924-A973 HydrophobicContact CG-CB 4.07Å; F924-A973 HydrophobicContact CZ-CB 3.66Å; F924-L992 HydrophobicContact CE2-CB 4.12Å; F924-L992 HydrophobicContact CE2-CD2 4.2Å; F924-L992 HydrophobicContact CE2-CG 4.39Å; F924-L992 WeakPolarHBondContact CE2-O 3.4Å; F924-L992 HydrophobicContact CZ-CB 4.1Å; F924-L992 HydrophobicContact CZ-CD2 4.34Å
925	R	86.4	Confident	87.2	Confident	123 Å²	123	53.9 Å²	53.9	46%	0.464	28%	0.28	S	S	.	.	I	π-helix	trans	-67.5	-39.2	-176.4	-71	-175.6	163.5	-123.9	-13	113.2	I917 G919 S921 W922 M929	I917-R925 PolarHBondContact O-NH2 3.35Å; G919-R925 PolarHBondContact O-NE 3.49Å; G919-R925 PolarHBondContact O-NH2 3.04Å; G919-R925 VanDerWaalsContact O-NH2 3.1Å; S921-R925 PolarHBondContact O-N 3.5Å; W922-R925 PolarHBondContact O-N 3.44Å; R925-M929 WeakPolarHBondContact O-CB 3.38Å
926	E	83.4	Confident	86.8	Confident	78 Å²	78	53 Å²	53	36%	0.364	27%	0.273	S	S	.	.	I	π-helix	trans	-95.1	-25.7	-172.9	-72.8	-57.8	142.1	0	0	114.9	W922 K930	W922-E926 HydrophobicContact CD2-CB 4.42Å; W922-E926 HydrophobicContact CD2-CG 4.34Å; W922-E926 HydrophobicContact CG-CG 4.44Å; W922-E926 HydrophobicContact CZ2-CB 4.27Å; W922-E926 HydrophobicContact CZ2-CG 4.25Å; W922-E926 WeakPolarHBondContact O-CB 3.44Å; W922-E926 PolarHBondContact O-N 3.11Å; E926-K930 WeakPolarHBondContact O-CD 3.46Å; E926-K930 WeakPolarHBondContact O-CE 3.39Å; E926-K930 WeakPolarHBondContact O-CG 3.27Å; E926-K930 PolarHBondContact O-NZ 2.96Å; E926-K930 IonicContact OE2-NZ 3.11Å; E926-K930 PolarHBondContact OE2-NZ 3.29Å
927	K	83.6	Confident	86	Confident	95 Å²	95	52.7 Å²	52.7	41%	0.413	27%	0.274	S	S	.	.	I	π-helix	trans	-112.4	-61.1	-178	-59.5	-68.9	-173.3	169.1	0	111	H923 M929 K930 W931	H923-K927 WeakPolarHBondContact O-CA 3.47Å; H923-K927 VanDerWaalsContact O-CB 3.25Å; H923-K927 WeakPolarHBondContact O-CB 3.41Å; H923-K927 PolarHBondContact O-N 2.74Å; K927-M929 VanDerWaalsContact C-N 3.32Å; K927-M929 PolarHBondContact O-N 3.36Å; K927-K930 PolarHBondContact O-N 3.42Å; K927-W931 HydrophobicContact CB-CH2 4.2Å; K927-W931 HydrophobicContact CB-CZ2 4.15Å; K927-W931 HydrophobicContact CB-CZ3 4.49Å; K927-W931 PolarHBondContact O-N 3.38Å
928	V	83	Confident	85.2	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.272	C	S	.	.	I	π-helix	trans	-59.4	-41.7	-175.2	-177	0	0	0	0	111.2	H923 F924 K930 W931 F932 L992 T994 Y995 L1001	H923-V928 PolarHBondContact O-N 3.49Å; F924-V928 HydrophobicContact CD2-CB 4.02Å; F924-V928 HydrophobicContact CD2-CG1 3.94Å; F924-V928 HydrophobicContact CD2-CG2 4.35Å; F924-V928 HydrophobicContact CE2-CG1 4.04Å; F924-V928 HydrophobicContact CG-CB 4.43Å; F924-V928 WeakPolarHBondContact O-CB 3.35Å; F924-V928 PolarHBondContact O-N 2.96Å; V928-K930 PolarHBondContact O-N 2.94Å; V928-W931 HydrophobicContact CG2-CE3 4.3Å; V928-W931 HydrophobicContact CG2-CZ3 4.25Å; V928-W931 PolarHBondContact O-N 3.48Å; V928-F932 WeakPolarHBondContact O-CB 3.25Å; V928-F932 PolarHBondContact O-N 2.96Å; V928-L992 HydrophobicContact CG1-CD2 3.91Å; V928-T994 HydrophobicContact CG2-CG2 4.23Å; V928-Y995 HydrophobicContact CG1-CD2 4.18Å; V928-L1001 HydrophobicContact CG1-CD1 3.69Å; V928-L1001 WeakPolarHBondContact O-CD1 3.5Å
929	M	90.3	Very high	84.7	Confident	5 Å²	5	49.6 Å²	49.6	3%	0.025	26%	0.258	C	S	.	.	H	α-helix	trans	-66.4	-35.3	175.7	-66.2	-63.5	93.7	0	0	113.6	I917 F924 R925 K927 W931 F932 W933 I971 L992	I917-M929 HydrophobicContact CD1-CG 3.99Å; I917-M929 HydrophobicContact CD1-SD 4.01Å; I917-M929 HydrophobicContact CG1-SD 4.04Å; I917-M929 HydrophobicContact CG2-CG 4.31Å; I917-M929 HydrophobicContact CG2-SD 4.06Å; F924-M929 HydrophobicContact CD1-CE 4.18Å; F924-M929 HydrophobicContact CD1-CG 4.37Å; F924-M929 HydrophobicContact CD2-CE 4.45Å; F924-M929 HydrophobicContact CE1-CE 3.45Å; F924-M929 VanDerWaalsContact CE1-CE 3.45Å; F924-M929 HydrophobicContact CE1-CG 4.23Å; F924-M929 HydrophobicContact CE1-SD 3.91Å; F924-M929 HydrophobicContact CE2-CE 3.77Å; F924-M929 HydrophobicContact CZ-CE 3.23Å; F924-M929 HydrophobicContact CZ-SD 4.22Å; F924-M929 WeakPolarHBondContact O-CG 3.5Å; F924-M929 PolarHBondContact O-N 3.25Å; R925-M929 WeakPolarHBondContact O-CB 3.38Å; K927-M929 VanDerWaalsContact C-N 3.32Å; K927-M929 PolarHBondContact O-N 3.36Å; M929-W931 VanDerWaalsContact C-N 3.34Å; M929-F932 HydrophobicContact CE-CB 4.36Å; M929-F932 PolarHBondContact O-N 3.46Å; M929-W933 PolarHBondContact O-N 3.46Å; M929-I971 HydrophobicContact CE-CG2 3.91Å; M929-I971 HydrophobicContact SD-CD1 4.4Å; M929-I971 HydrophobicContact SD-CG2 3.94Å; M929-L992 HydrophobicContact CE-CD2 3.35Å
930	K	82.7	Confident	84.2	Confident	123 Å²	123	51.2 Å²	51.2	54%	0.535	26%	0.26	S	S	.	.	H	α-helix	trans	-65.9	-41.5	175	-68.6	-175.8	-171.4	132.9	0	110.4	E926 K927 V928 A934	E926-K930 WeakPolarHBondContact O-CD 3.46Å; E926-K930 WeakPolarHBondContact O-CE 3.39Å; E926-K930 WeakPolarHBondContact O-CG 3.27Å; E926-K930 PolarHBondContact O-NZ 2.96Å; E926-K930 IonicContact OE2-NZ 3.11Å; E926-K930 PolarHBondContact OE2-NZ 3.29Å; K927-K930 PolarHBondContact O-N 3.42Å; V928-K930 PolarHBondContact O-N 2.94Å; K930-A934 WeakPolarHBondContact O-CB 3.5Å; K930-A934 PolarHBondContact O-N 2.94Å
931	W	85.3	Confident	84	Confident	56 Å²	56	52.6 Å²	52.6	21%	0.212	26%	0.257	C	S	.	.	H	α-helix	trans	-63.6	-46.7	173.7	-60.9	-27.2	0	0	0	111.9	H923 K927 V928 M929 W933 A934 V935 Y995 D996 Y998 L1001	H923-W931 AromaticContact CE1-CH2 3.93Å; K927-W931 HydrophobicContact CB-CH2 4.2Å; K927-W931 HydrophobicContact CB-CZ2 4.15Å; K927-W931 HydrophobicContact CB-CZ3 4.49Å; K927-W931 PolarHBondContact O-N 3.38Å; V928-W931 HydrophobicContact CG2-CE3 4.3Å; V928-W931 HydrophobicContact CG2-CZ3 4.25Å; V928-W931 PolarHBondContact O-N 3.48Å; M929-W931 VanDerWaalsContact C-N 3.34Å; W931-W933 PolarHBondContact O-N 3.05Å; W931-A934 WeakPolarHBondContact O-CB 3.35Å; W931-A934 PolarHBondContact O-N 3.34Å; W931-A934 VanDerWaalsContact O-N 3.1Å; W931-V935 WeakPolarHBondContact O-CG2 3.43Å; W931-V935 PolarHBondContact O-N 3.44Å; W931-Y995 WeakPolarHBondContact CZ3-O 3.37Å; W931-D996 VanDerWaalsContact CH2-O 3.29Å; W931-D996 WeakPolarHBondContact CH2-O 3.25Å; W931-Y998 HydrophobicContact CB-CD2 3.96Å; W931-Y998 HydrophobicContact CG-CD2 4.26Å; W931-L1001 HydrophobicContact CB-CD1 3.93Å
932	F	90.3	Very high	83.8	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-52.5	-52.5	176.7	174.2	-96.7	0	0	0	111.6	V928 M929 A934 V935 V936 I971 L990 L992 L1001 L1005	V928-F932 WeakPolarHBondContact O-CB 3.25Å; V928-F932 PolarHBondContact O-N 2.96Å; M929-F932 HydrophobicContact CE-CB 4.36Å; M929-F932 PolarHBondContact O-N 3.46Å; F932-A934 VanDerWaalsContact C-N 3.32Å; F932-A934 PolarHBondContact O-N 3.4Å; F932-V935 WeakPolarHBondContact O-CB 3.34Å; F932-V935 PolarHBondContact O-N 3.46Å; F932-V936 HydrophobicContact CD1-CG2 4.27Å; F932-V936 HydrophobicContact CD2-CG2 4.32Å; F932-V936 HydrophobicContact CE1-CG2 3.81Å; F932-V936 HydrophobicContact CE2-CG2 3.87Å; F932-V936 HydrophobicContact CZ-CG2 3.6Å; F932-V936 WeakPolarHBondContact O-CG2 3.34Å; F932-V936 PolarHBondContact O-N 3.42Å; F932-I971 HydrophobicContact CD1-CD1 3.83Å; F932-I971 HydrophobicContact CE1-CD1 3.37Å; F932-I971 HydrophobicContact CE1-CG1 4.49Å; F932-I971 HydrophobicContact CZ-CD1 3.92Å; F932-L990 HydrophobicContact CD2-CD2 4.39Å; F932-L990 HydrophobicContact CE2-CD2 3.42Å; F932-L990 VanDerWaalsContact CE2-CD2 3.42Å; F932-L990 HydrophobicContact CZ-CD2 3.78Å; F932-L992 HydrophobicContact CB-CD2 4.22Å; F932-L992 HydrophobicContact CD2-CD1 4.36Å; F932-L992 HydrophobicContact CD2-CD2 3.97Å; F932-L992 HydrophobicContact CG-CD2 4.29Å; F932-L1001 HydrophobicContact CB-CD1 4.11Å; F932-L1001 HydrophobicContact CB-CD2 4.41Å; F932-L1001 HydrophobicContact CD2-CD2 4.48Å; F932-L1005 HydrophobicContact CD2-CD2 3.91Å; F932-L1005 HydrophobicContact CE2-CD1 4.49Å; F932-L1005 HydrophobicContact CE2-CD2 3.72Å
933	W	88.1	Confident	83.5	Confident	18 Å²	18	44.4 Å²	44.4	7%	0.068	22%	0.219	C	C	.	.	H	α-helix	trans	-67.8	-31.1	179.7	-69.5	117.1	0	0	0	113.3	V908 F911 K912 A915 M929 W931 V936 S937 I971	V908-W933 HydrophobicContact CG1-CE3 4.48Å; F911-W933 HydrophobicContact CB-CZ3 4.4Å; F911-W933 HydrophobicContact CD1-CH2 4.37Å; F911-W933 AromaticContact CD1-CZ3 3.9Å; F911-W933 HydrophobicContact CD1-CZ3 3.9Å; F911-W933 HydrophobicContact CD2-CH2 4Å; F911-W933 HydrophobicContact CD2-CZ3 4.31Å; F911-W933 HydrophobicContact CE1-CZ3 4.22Å; F911-W933 HydrophobicContact CE2-CH2 4.13Å; F911-W933 HydrophobicContact CG-CH2 4.11Å; F911-W933 AromaticContact CG-CZ3 3.94Å; F911-W933 HydrophobicContact CG-CZ3 3.94Å; F911-W933 HydrophobicContact CZ-CH2 4.39Å; K912-W933 VanDerWaalsContact CA-CH2 3.46Å; K912-W933 HydrophobicContact CB-CD2 4.06Å; K912-W933 HydrophobicContact CB-CE3 3.86Å; K912-W933 HydrophobicContact CB-CH2 3.97Å; K912-W933 HydrophobicContact CB-CZ2 4.15Å; K912-W933 HydrophobicContact CB-CZ3 3.81Å; K912-W933 HydrophobicContact CD-CB 4.34Å; K912-W933 HydrophobicContact CD-CD2 3.84Å; K912-W933 HydrophobicContact CD-CE3 4.27Å; K912-W933 HydrophobicContact CD-CG 3.83Å; K912-W933 HydrophobicContact CG-CD2 3.76Å; K912-W933 HydrophobicContact CG-CE3 4.1Å; K912-W933 HydrophobicContact CG-CG 4.22Å; K912-W933 HydrophobicContact CG-CH2 4.34Å; K912-W933 HydrophobicContact CG-CZ2 4.01Å; K912-W933 HydrophobicContact CG-CZ3 4.37Å; A915-W933 HydrophobicContact CB-CH2 3.74Å; A915-W933 HydrophobicContact CB-CZ2 3.73Å; M929-W933 PolarHBondContact O-N 3.46Å; W931-W933 PolarHBondContact O-N 3.05Å; W933-V936 HydrophobicContact CE3-CB 4.39Å; W933-V936 HydrophobicContact CE3-CG1 4.44Å; W933-V936 HydrophobicContact CZ3-CG1 4.44Å; W933-S937 VanDerWaalsContact O-CB 3.29Å; W933-S937 WeakPolarHBondContact O-CB 3.16Å; W933-S937 PolarHBondContact O-N 3.05Å; W933-S937 PolarHBondContact O-OG 3.46Å; W933-I971 HydrophobicContact CH2-CD1 4.31Å; W933-I971 HydrophobicContact CZ2-CD1 3.77Å
934	A	67.9	Low	83.7	Confident	41 Å²	41	42 Å²	42	34%	0.339	21%	0.208	S	C	.	.	H	α-helix	trans	-66.6	-40.9	172.5	0	0	0	0	0	111.7	K930 W931 F932 S937 S938 Y998	K930-A934 WeakPolarHBondContact O-CB 3.5Å; K930-A934 PolarHBondContact O-N 2.94Å; W931-A934 WeakPolarHBondContact O-CB 3.35Å; W931-A934 PolarHBondContact O-N 3.34Å; W931-A934 VanDerWaalsContact O-N 3.1Å; F932-A934 VanDerWaalsContact C-N 3.32Å; F932-A934 PolarHBondContact O-N 3.4Å; A934-S937 PolarHBondContact O-N 3.37Å; A934-S938 PolarHBondContact O-N 3.22Å; A934-S938 VanDerWaalsContact O-N 3.13Å; A934-Y998 HydrophobicContact CB-CD2 4.35Å; A934-Y998 HydrophobicContact CB-CE2 3.77Å
935	V	78.6	Confident	83.7	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.2	-52.1	174.4	168.5	0	0	0	0	110.5	W931 F932 S937 S938 F939 Y998 L1001 H1002 L1005	W931-V935 WeakPolarHBondContact O-CG2 3.43Å; W931-V935 PolarHBondContact O-N 3.44Å; F932-V935 WeakPolarHBondContact O-CB 3.34Å; F932-V935 PolarHBondContact O-N 3.46Å; V935-S937 PolarHBondContact O-N 3.31Å; V935-S938 WeakPolarHBondContact O-CA 3.24Å; V935-S938 WeakPolarHBondContact O-CB 3.47Å; V935-S938 PolarHBondContact O-N 3.46Å; V935-S938 PolarHBondContact O-OG 3.35Å; V935-F939 HydrophobicContact CG1-CD1 4.19Å; V935-F939 HydrophobicContact CG1-CE1 3.39Å; V935-F939 HydrophobicContact CG1-CE2 4.37Å; V935-F939 HydrophobicContact CG1-CZ 3.5Å; V935-F939 VanDerWaalsContact CG1-CZ 3.5Å; V935-F939 VanDerWaalsContact O-CD1 3.32Å; V935-F939 WeakPolarHBondContact O-CD1 3.45Å; V935-F939 PolarHBondContact O-N 3.18Å; V935-Y998 HydrophobicContact CB-CE2 4.35Å; V935-Y998 HydrophobicContact CG2-CD2 3.86Å; V935-Y998 HydrophobicContact CG2-CE2 3.3Å; V935-L1001 HydrophobicContact CB-CD2 4.02Å; V935-L1001 HydrophobicContact CG1-CD2 4.27Å; V935-L1001 HydrophobicContact CG2-CD2 3.71Å; V935-H1002 HydrophobicContact CG1-CB 4.34Å; V935-H1002 HydrophobicContact CG2-CB 3.61Å; V935-L1005 HydrophobicContact CG1-CD2 3.89Å
936	V	84.4	Confident	83.8	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.5	-37.3	178.5	174.6	0	0	0	0	111.1	V908 F911 F932 W933 S938 F939 L944 L947 L1005	V908-V936 HydrophobicContact CG1-CG1 3.85Å; V908-V936 HydrophobicContact CG2-CG1 4.21Å; F911-V936 HydrophobicContact CD1-CG1 4.12Å; F911-V936 HydrophobicContact CE1-CG1 4.21Å; F932-V936 HydrophobicContact CD1-CG2 4.27Å; F932-V936 HydrophobicContact CD2-CG2 4.32Å; F932-V936 HydrophobicContact CE1-CG2 3.81Å; F932-V936 HydrophobicContact CE2-CG2 3.87Å; F932-V936 HydrophobicContact CZ-CG2 3.6Å; F932-V936 WeakPolarHBondContact O-CG2 3.34Å; F932-V936 PolarHBondContact O-N 3.42Å; W933-V936 HydrophobicContact CE3-CB 4.39Å; W933-V936 HydrophobicContact CE3-CG1 4.44Å; W933-V936 HydrophobicContact CZ3-CG1 4.44Å; V936-S938 PolarHBondContact O-N 3.23Å; V936-F939 WeakPolarHBondContact O-CB 3.39Å; V936-F939 PolarHBondContact O-N 2.87Å; V936-L944 HydrophobicContact CG1-CD2 3.61Å; V936-L947 HydrophobicContact CG1-CD2 4.42Å; V936-L947 HydrophobicContact CG2-CD2 3.91Å; V936-L1005 HydrophobicContact CG2-CD2 4.38Å
937	S	80.1	Confident	84.1	Confident	65 Å²	65	34.5 Å²	34.5	46%	0.455	18%	0.177	S	C	.	.	H	α-helix	trans	-69.8	-18.3	174.9	-57	0	0	0	0	113.6	W933 A934 V935	W933-S937 VanDerWaalsContact O-CB 3.29Å; W933-S937 WeakPolarHBondContact O-CB 3.16Å; W933-S937 PolarHBondContact O-N 3.05Å; W933-S937 PolarHBondContact O-OG 3.46Å; A934-S937 PolarHBondContact O-N 3.37Å; V935-S937 PolarHBondContact O-N 3.31Å
938	S	78.1	Confident	84.5	Confident	40 Å²	40	30.2 Å²	30.2	28%	0.28	16%	0.158	S	C	.	.	H	α-helix	trans	-88.5	-13.8	176.1	79.8	0	0	0	0	113.6	A934 V935 V936	A934-S938 PolarHBondContact O-N 3.22Å; A934-S938 VanDerWaalsContact O-N 3.13Å; V935-S938 WeakPolarHBondContact O-CA 3.24Å; V935-S938 WeakPolarHBondContact O-CB 3.47Å; V935-S938 PolarHBondContact O-N 3.46Å; V935-S938 PolarHBondContact O-OG 3.35Å; V936-S938 PolarHBondContact O-N 3.23Å
939	F	82.7	Confident	84.7	Confident	15 Å²	15	30.7 Å²	30.7	7%	0.066	16%	0.16	C	C	.	.	S	Bend	trans	-69.3	143.9	-178.7	-75.7	-1.3	0	0	0	112.1	V935 V936 E943 L944 L947 L1005 I1009	V935-F939 HydrophobicContact CG1-CD1 4.19Å; V935-F939 HydrophobicContact CG1-CE1 3.39Å; V935-F939 HydrophobicContact CG1-CE2 4.37Å; V935-F939 HydrophobicContact CG1-CZ 3.5Å; V935-F939 VanDerWaalsContact CG1-CZ 3.5Å; V935-F939 VanDerWaalsContact O-CD1 3.32Å; V935-F939 WeakPolarHBondContact O-CD1 3.45Å; V935-F939 PolarHBondContact O-N 3.18Å; V936-F939 WeakPolarHBondContact O-CB 3.39Å; V936-F939 PolarHBondContact O-N 2.87Å; F939-E943 HydrophobicContact CB-CB 3.77Å; F939-E943 HydrophobicContact CD1-CB 4.42Å; F939-E943 HydrophobicContact CD2-CB 4.03Å; F939-E943 HydrophobicContact CG-CB 3.84Å; F939-L944 HydrophobicContact CB-CD2 4.01Å; F939-L944 HydrophobicContact CB-CG 3.91Å; F939-L944 HydrophobicContact CD2-CD2 4.37Å; F939-L947 HydrophobicContact CD2-CD2 4.5Å; F939-L947 HydrophobicContact CE2-CD2 4.36Å; F939-L1005 HydrophobicContact CE2-CD2 4.02Å; F939-L1005 HydrophobicContact CE2-CG 4.27Å; F939-L1005 HydrophobicContact CZ-CD2 3.91Å; F939-L1005 HydrophobicContact CZ-CG 4.04Å; F939-I1009 HydrophobicContact CD2-CD1 4.22Å; F939-I1009 HydrophobicContact CE2-CD1 3.64Å; F939-I1009 HydrophobicContact CZ-CD1 4.02Å
940	T	81.8	Confident	84.6	Confident	76 Å²	76	31.3 Å²	31.3	47%	0.466	16%	0.163	S	C	.	.			trans	-66.2	162.2	165.3	60.7	0	0	0	0	110.6	E942 E943 L944	T940-E942 PolarHBondContact O-N 3.27Å; T940-E943 WeakPolarHBondContact CB-OE2 3.43Å; T940-E943 WeakPolarHBondContact CG2-OE2 3.44Å; T940-E943 PolarHBondContact N-OE2 3.36Å; T940-E943 PolarHBondContact O-N 3.19Å; T940-E943 VanDerWaalsContact O-N 3.14Å; T940-E943 WeakPolarHBondContact OG1-CG 3.22Å; T940-E943 PolarHBondContact OG1-N 3.24Å; T940-E943 PolarHBondContact OG1-OE2 3.19Å; T940-L944 WeakPolarHBondContact O-CG 3.44Å; T940-L944 PolarHBondContact O-N 2.9Å
941	Q	82.8	Confident	84.9	Confident	65 Å²	65	25.5 Å²	25.5	30%	0.304	14%	0.138	S	C	.	.	H	α-helix	trans	-60.7	-29.9	175.5	-74.2	-66.4	-42.1	0	0	112.8	I906 A945	I906-Q941 PolarHBondContact O-NE2 3.06Å; I906-Q941 VanDerWaalsContact O-NE2 3.15Å; Q941-A945 VanDerWaalsContact O-CB 3.29Å; Q941-A945 WeakPolarHBondContact O-CB 3.36Å; Q941-A945 PolarHBondContact O-N 3.26Å
942	E	83.4	Confident	84.9	Confident	51 Å²	51	23.2 Å²	23.2	24%	0.238	13%	0.13	C	C	.	.	H	α-helix	trans	-66.2	-47.3	172.7	-177	-174.1	143.4	0	0	111.7	T903 T940 L944 A945 R946	T903-E942 HydrophobicContact CG2-CB 4.14Å; T940-E942 PolarHBondContact O-N 3.27Å; E942-L944 VanDerWaalsContact C-N 3.33Å; E942-L944 PolarHBondContact O-N 3.47Å; E942-A945 PolarHBondContact O-N 3.48Å; E942-R946 PolarHBondContact O-N 3.34Å; E942-R946 IonicContact OE1-CZ 2.98Å; E942-R946 IonicContact OE1-NH1 2.84Å; E942-R946 PolarHBondContact OE1-NH1 3.26Å; E942-R946 IonicContact OE1-NH2 3.13Å; E942-R946 PolarHBondContact OE1-NH2 2.96Å
943	E	85.1	Confident	84.4	Confident	26 Å²	26	23.3 Å²	23.3	12%	0.121	13%	0.131	C	C	.	.	H	α-helix	trans	-64.3	-37.9	176.6	-72.3	162.7	144.2	0	0	111.6	F939 T940 R946 L947 K1006 I1009	F939-E943 HydrophobicContact CB-CB 3.77Å; F939-E943 HydrophobicContact CD1-CB 4.42Å; F939-E943 HydrophobicContact CD2-CB 4.03Å; F939-E943 HydrophobicContact CG-CB 3.84Å; T940-E943 WeakPolarHBondContact CB-OE2 3.43Å; T940-E943 WeakPolarHBondContact CG2-OE2 3.44Å; T940-E943 PolarHBondContact N-OE2 3.36Å; T940-E943 PolarHBondContact O-N 3.19Å; T940-E943 VanDerWaalsContact O-N 3.14Å; T940-E943 WeakPolarHBondContact OG1-CG 3.22Å; T940-E943 PolarHBondContact OG1-N 3.24Å; T940-E943 PolarHBondContact OG1-OE2 3.19Å; E943-R946 PolarHBondContact O-N 3.13Å; E943-L947 WeakPolarHBondContact O-CB 3.39Å; E943-L947 PolarHBondContact O-N 2.82Å; E943-K1006 VanDerWaalsContact OE1-CE 3.28Å; E943-K1006 WeakPolarHBondContact OE1-CE 3.22Å; E943-K1006 IonicContact OE1-NZ 3.91Å; E943-K1006 PolarHBondContact OE1-NZ 3.43Å; E943-I1009 HydrophobicContact CB-CD1 4.09Å; E943-I1009 HydrophobicContact CG-CD1 4.49Å
944	L	89.6	Confident	84.2	Confident	5 Å²	5	22.5 Å²	22.5	3%	0.026	13%	0.128	C	C	.	.	H	α-helix	trans	-63.2	-42	172.5	-71.5	173.3	0	0	0	111.9	I906 V908 V936 F939 T940 E942 L947 L948	I906-L944 HydrophobicContact CB-CB 4.16Å; I906-L944 HydrophobicContact CB-CD1 4.3Å; I906-L944 VanDerWaalsContact CD1-C 3.48Å; I906-L944 HydrophobicContact CD1-CB 3.85Å; I906-L944 WeakPolarHBondContact CD1-O 3.45Å; I906-L944 HydrophobicContact CG2-CB 4.28Å; I906-L944 HydrophobicContact CG2-CD1 4.4Å; V908-L944 HydrophobicContact CG2-CD1 3.85Å; V908-L944 HydrophobicContact CG2-CD2 4.04Å; V936-L944 HydrophobicContact CG1-CD2 3.61Å; F939-L944 HydrophobicContact CB-CD2 4.01Å; F939-L944 HydrophobicContact CB-CG 3.91Å; F939-L944 HydrophobicContact CD2-CD2 4.37Å; T940-L944 WeakPolarHBondContact O-CG 3.44Å; T940-L944 PolarHBondContact O-N 2.9Å; E942-L944 VanDerWaalsContact C-N 3.33Å; E942-L944 PolarHBondContact O-N 3.47Å; L944-L947 PolarHBondContact O-N 3.38Å; L944-L948 PolarHBondContact O-N 3.23Å
945	A	89.1	Confident	84.9	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.6	-41.1	177	0	0	0	0	0	111.5	L898 T903 I906 Q941 E942 L948 Q949	L898-A945 HydrophobicContact CD2-CB 3.75Å; T903-A945 HydrophobicContact CG2-CB 4.42Å; I906-A945 HydrophobicContact CD1-CB 4.25Å; Q941-A945 VanDerWaalsContact O-CB 3.29Å; Q941-A945 WeakPolarHBondContact O-CB 3.36Å; Q941-A945 PolarHBondContact O-N 3.26Å; E942-A945 PolarHBondContact O-N 3.48Å; A945-L948 PolarHBondContact O-N 3.02Å; A945-Q949 WeakPolarHBondContact O-CG 3.42Å; A945-Q949 PolarHBondContact O-N 3.13Å
946	R	88.7	Confident	85.2	Confident	43 Å²	43	21.9 Å²	21.9	16%	0.162	12%	0.118	C	C	.	.	H	α-helix	trans	-65.2	-40.2	173.4	-72.9	-161.7	-177.5	104.1	7.4	112.6	L898 E942 E943 L948 Q949 F950 I1009	L898-R946 HydrophobicContact CD1-CG 4.36Å; E942-R946 PolarHBondContact O-N 3.34Å; E942-R946 IonicContact OE1-CZ 2.98Å; E942-R946 IonicContact OE1-NH1 2.84Å; E942-R946 PolarHBondContact OE1-NH1 3.26Å; E942-R946 IonicContact OE1-NH2 3.13Å; E942-R946 PolarHBondContact OE1-NH2 2.96Å; E943-R946 PolarHBondContact O-N 3.13Å; R946-L948 VanDerWaalsContact C-N 3.27Å; R946-L948 PolarHBondContact O-N 3.32Å; R946-Q949 PolarHBondContact O-N 2.76Å; R946-F950 VanDerWaalsContact O-CB 3.31Å; R946-F950 WeakPolarHBondContact O-CB 3.34Å; R946-F950 PolarHBondContact O-N 3.5Å; R946-I1009 HydrophobicContact CB-CB 4.3Å; R946-I1009 WeakPolarHBondContact CD-O 3.38Å
947	L	91.4	Very high	85.2	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-60	-41.7	173.6	177.1	61.6	0	0	0	111	F911 V936 F939 E943 L944 F950 T951 L1005 I1009	F911-L947 HydrophobicContact CE1-CD2 3.99Å; V936-L947 HydrophobicContact CG1-CD2 4.42Å; V936-L947 HydrophobicContact CG2-CD2 3.91Å; F939-L947 HydrophobicContact CD2-CD2 4.5Å; F939-L947 HydrophobicContact CE2-CD2 4.36Å; E943-L947 WeakPolarHBondContact O-CB 3.39Å; E943-L947 PolarHBondContact O-N 2.82Å; L944-L947 PolarHBondContact O-N 3.38Å; L947-F950 PolarHBondContact O-N 3.49Å; L947-T951 HydrophobicContact CD1-CG2 4.15Å; L947-T951 WeakPolarHBondContact O-CB 3.31Å; L947-T951 WeakPolarHBondContact O-CG2 3.37Å; L947-T951 PolarHBondContact O-N 3.45Å; L947-T951 VanDerWaalsContact O-N 3.09Å; L947-T951 PolarHBondContact O-OG1 3.29Å; L947-L1005 HydrophobicContact CD1-CD1 4.11Å; L947-I1009 HydrophobicContact CB-CG2 4.09Å; L947-I1009 HydrophobicContact CD1-CG2 3.8Å
948	L	91.3	Very high	85.1	Confident	4 Å²	4	21.2 Å²	21.2	2%	0.021	11%	0.11	C	C	.	.	H	α-helix	trans	-66.7	-41	176.5	-166.6	67.9	0	0	0	111.7	I906 L944 A945 R946 T951 T952 S954 L957 F962	I906-L948 HydrophobicContact CD1-CB 4.26Å; I906-L948 HydrophobicContact CD1-CD2 4.11Å; L944-L948 PolarHBondContact O-N 3.23Å; A945-L948 PolarHBondContact O-N 3.02Å; R946-L948 VanDerWaalsContact C-N 3.27Å; R946-L948 PolarHBondContact O-N 3.32Å; L948-T951 PolarHBondContact O-N 3.15Å; L948-T951 PolarHBondContact O-OG1 3.01Å; L948-T952 HydrophobicContact CD1-CG2 3.62Å; L948-T952 HydrophobicContact CG-CG2 4.3Å; L948-T952 WeakPolarHBondContact O-CA 3.1Å; L948-T952 WeakPolarHBondContact O-CB 3.2Å; L948-T952 PolarHBondContact O-N 3.27Å; L948-T952 PolarHBondContact O-OG1 3.27Å; L948-S954 CarbonylContact C-O 3.49Å; L948-S954 VanDerWaalsContact C-O 3.24Å; L948-S954 WeakPolarHBondContact CG-O 3.16Å; L948-L957 HydrophobicContact CD1-CD2 3.8Å; L948-L957 HydrophobicContact CD2-CD2 3.79Å; L948-L957 HydrophobicContact CD2-CG 3.78Å; L948-L957 HydrophobicContact CG-CD2 4.45Å; L948-F962 HydrophobicContact CD1-CE1 3.88Å; L948-F962 HydrophobicContact CD1-CZ 3.99Å
949	Q	88	Confident	84.9	Confident	10 Å²	10	26.4 Å²	26.4	5%	0.047	14%	0.143	C	C	.	.	H	α-helix	trans	-59.2	-48.4	172.6	-73.5	175.8	-39.6	0	0	111.4	N894 E897 A945 R946 T951 G953 S954 S955	N894-Q949 PolarHBondContact O-NE2 3.11Å; E897-Q949 PolarHBondContact OE2-NE2 2.93Å; A945-Q949 WeakPolarHBondContact O-CG 3.42Å; A945-Q949 PolarHBondContact O-N 3.13Å; R946-Q949 PolarHBondContact O-N 2.76Å; Q949-T951 PolarHBondContact O-N 3.18Å; Q949-G953 WeakPolarHBondContact O-CA 3.44Å; Q949-G953 PolarHBondContact O-N 3.29Å; Q949-S954 WeakPolarHBondContact CA-O 3.32Å; Q949-S954 PolarHBondContact N-O 3.24Å; Q949-S955 VanDerWaalsContact CG-N 3.29Å
950	F	87.6	Confident	84.5	Confident	19 Å²	19	27.8 Å²	27.8	8%	0.083	16%	0.161	C	C	.	.	H	α-helix	trans	-58.6	-35.8	-179.5	179.9	-116.3	0	0	0	112.5	R946 L947 A983 T985 L990 A1008 I1009 F1016	R946-F950 VanDerWaalsContact O-CB 3.31Å; R946-F950 WeakPolarHBondContact O-CB 3.34Å; R946-F950 PolarHBondContact O-N 3.5Å; L947-F950 PolarHBondContact O-N 3.49Å; F950-A983 HydrophobicContact CD1-CB 3.88Å; F950-A983 HydrophobicContact CD2-CB 4.43Å; F950-A983 HydrophobicContact CE1-CB 3.6Å; F950-A983 HydrophobicContact CE2-CB 4.19Å; F950-A983 HydrophobicContact CG-CB 4.29Å; F950-A983 HydrophobicContact CZ-CB 3.77Å; F950-A983 WeakPolarHBondContact O-CB 3.3Å; F950-T985 WeakPolarHBondContact O-CG2 3.44Å; F950-L990 HydrophobicContact CD1-CD1 4.3Å; F950-L990 HydrophobicContact CE1-CD1 3.86Å; F950-A1008 HydrophobicContact CE1-CB 4.29Å; F950-A1008 HydrophobicContact CZ-CB 4.15Å; F950-I1009 HydrophobicContact CB-CG2 4.29Å; F950-I1009 HydrophobicContact CD1-CG2 4.2Å; F950-I1009 HydrophobicContact CG-CG2 4.38Å; F950-F1016 HydrophobicContact CE2-CE1 4.19Å; F950-F1016 HydrophobicContact CE2-CZ 4.25Å
951	T	88.9	Confident	84.7	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-102.3	-22.3	-172	51.1	0	0	0	0	114.6	L947 L948 Q949 F969 A983 T985 N988 L990	L947-T951 HydrophobicContact CD1-CG2 4.15Å; L947-T951 WeakPolarHBondContact O-CB 3.31Å; L947-T951 WeakPolarHBondContact O-CG2 3.37Å; L947-T951 PolarHBondContact O-N 3.45Å; L947-T951 VanDerWaalsContact O-N 3.09Å; L947-T951 PolarHBondContact O-OG1 3.29Å; L948-T951 PolarHBondContact O-N 3.15Å; L948-T951 PolarHBondContact O-OG1 3.01Å; Q949-T951 PolarHBondContact O-N 3.18Å; T951-F969 HydrophobicContact CG2-CE2 4.12Å; T951-F969 HydrophobicContact CG2-CZ 3.9Å; T951-F969 VanDerWaalsContact OG1-CE2 3.31Å; T951-F969 WeakPolarHBondContact OG1-CE2 3.43Å; T951-A983 HydrophobicContact CG2-CB 4.32Å; T951-T985 WeakPolarHBondContact O-CA 3.06Å; T951-N988 WeakPolarHBondContact O-CA 3.26Å; T951-L990 HydrophobicContact CG2-CB 3.99Å; T951-L990 HydrophobicContact CG2-CD1 4.05Å
952	T	84.9	Confident	85	Confident	9 Å²	9	21.8 Å²	21.8	6%	0.055	13%	0.131	C	C	.	.	H	α-helix	trans	-126.8	-6.7	-175.4	74.6	0	0	0	0	113.5	L948 S954 F969 N988	L948-T952 HydrophobicContact CD1-CG2 3.62Å; L948-T952 HydrophobicContact CG-CG2 4.3Å; L948-T952 WeakPolarHBondContact O-CA 3.1Å; L948-T952 WeakPolarHBondContact O-CB 3.2Å; L948-T952 PolarHBondContact O-N 3.27Å; L948-T952 PolarHBondContact O-OG1 3.27Å; T952-S954 VanDerWaalsContact C-N 3.31Å; T952-S954 PolarHBondContact O-N 2.95Å; T952-S954 PolarHBondContact OG1-O 3.48Å; T952-F969 HydrophobicContact CG2-CD2 4.33Å; T952-F969 HydrophobicContact CG2-CE2 4.4Å; T952-N988 WeakPolarHBondContact CB-OD1 3.31Å; T952-N988 HydrophobicContact CG2-CB 4.35Å; T952-N988 WeakPolarHBondContact CG2-OD1 3.44Å
953	G	80.1	Confident	85.2	Confident	2 Å²	2	24.4 Å²	24.4	2%	0.021	15%	0.147	C	C	.	.	S	Bend	trans	79	3.3	-177.6	0	0	0	0	0	114.9	R779 Q949	R779-G953 VanDerWaalsContact CZ-O 3.27Å; R779-G953 PolarHBondContact NE-O 2.9Å; R779-G953 VanDerWaalsContact NE-O 3.13Å; R779-G953 VanDerWaalsContact NH2-C 3.35Å; R779-G953 PolarHBondContact NH2-O 3.28Å; Q949-G953 WeakPolarHBondContact O-CA 3.44Å; Q949-G953 PolarHBondContact O-N 3.29Å
954	S	83.2	Confident	85.2	Confident	0 Å²	0	26 Å²	26	0%	0	16%	0.158	C	C	.	.			trans	-144.6	149.9	175.9	179.3	0	0	0	0	112.5	R776 E897 L948 Q949 T952 Q956	R776-S954 PolarHBondContact NE-OG 2.88Å; E897-S954 WeakPolarHBondContact OE1-CB 3.31Å; E897-S954 PolarHBondContact OE1-OG 3.37Å; L948-S954 CarbonylContact C-O 3.49Å; L948-S954 VanDerWaalsContact C-O 3.24Å; L948-S954 WeakPolarHBondContact CG-O 3.16Å; Q949-S954 WeakPolarHBondContact CA-O 3.32Å; Q949-S954 PolarHBondContact N-O 3.24Å; T952-S954 VanDerWaalsContact C-N 3.31Å; T952-S954 PolarHBondContact O-N 2.95Å; T952-S954 PolarHBondContact OG1-O 3.48Å; S954-Q956 PolarHBondContact OG-N 3.46Å
955	S	84.1	Confident	84.9	Confident	1 Å²	1	26 Å²	26	1%	0.007	16%	0.159	C	C	.	.	S	Bend	trans	-79.4	-7.7	173.3	60.8	0	0	0	0	113.5	E897 Q949	E897-S955 VanDerWaalsContact CD-OG 3.23Å; E897-S955 PolarHBondContact OE1-N 3.38Å; E897-S955 PolarHBondContact OE2-N 3.16Å; E897-S955 PolarHBondContact OE2-OG 3.43Å; Q949-S955 VanDerWaalsContact CG-N 3.29Å
956	Q	84.2	Confident	84.3	Confident	27 Å²	27	29.4 Å²	29.4	13%	0.126	18%	0.182	C	C	.	.	S	Bend	trans	-113.9	135.3	-179.2	-63.8	-169.6	-18.8	0	0	111.5	A775 R776 C901 S954	A775-Q956 PolarHBondContact O-OE1 3.23Å; R776-Q956 HydrophobicContact CG-CB 4.05Å; R776-Q956 PolarHBondContact NE-O 3.17Å; C901-Q956 HydrophobicContact CB-CG 4.47Å; C901-Q956 PolarHBondContact O-NE2 2.97Å; C901-Q956 VanDerWaalsContact O-NE2 3.08Å; S954-Q956 PolarHBondContact OG-N 3.46Å
957	L	84.1	Confident	84.1	Confident	40 Å²	40	29.6 Å²	29.6	21%	0.209	19%	0.189	C	C	.	.			trans	-71.9	155.7	168	-68.4	168.7	0	0	0	110.8	L948 F962 L965	L948-L957 HydrophobicContact CD1-CD2 3.8Å; L948-L957 HydrophobicContact CD2-CD2 3.79Å; L948-L957 HydrophobicContact CD2-CG 3.78Å; L948-L957 HydrophobicContact CG-CD2 4.45Å; L957-F962 HydrophobicContact CD1-CD2 3.57Å; L957-F962 HydrophobicContact CD1-CE2 3.45Å; L957-F962 VanDerWaalsContact CD1-CE2 3.45Å; L957-F962 HydrophobicContact CD1-CG 4.36Å; L957-F962 HydrophobicContact CD1-CZ 4.14Å; L957-F962 HydrophobicContact CD2-CD1 3.97Å; L957-F962 HydrophobicContact CD2-CD2 3.99Å; L957-F962 HydrophobicContact CD2-CE1 3.84Å; L957-F962 HydrophobicContact CD2-CE2 3.9Å; L957-F962 HydrophobicContact CD2-CG 4.02Å; L957-F962 HydrophobicContact CD2-CZ 3.81Å; L957-F962 HydrophobicContact CG-CD2 4.44Å; L957-F962 HydrophobicContact CG-CE2 4.24Å; L957-F962 HydrophobicContact CG-CZ 4.48Å; L957-L965 HydrophobicContact CD2-CD2 4.5Å
958	P	78.8	Confident	83.9	Confident	11 Å²	11	32.1 Å²	32.1	7%	0.071	21%	0.206	C	C	.	.			trans	-59.1	161.4	164.2	-11.8	24	0	0	0	111	G960 G961 L965	P958-G960 PolarHBondContact O-N 3.44Å; P958-G961 PolarHBondContact O-N 2.96Å; P958-L965 HydrophobicContact CG-CD2 3.95Å
959	P	73	Confident	84.1	Confident	149 Å²	149	31.9 Å²	31.9	97%	0.968	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-29.1	-175.9	-28.8	35.7	0	0	0	115.5
960	G	75.4	Confident	84.4	Confident	44 Å²	44	33.6 Å²	33.6	45%	0.454	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	13.3	179.1	0	0	0	0	0	115.3	P958 T964	P958-G960 PolarHBondContact O-N 3.44Å; G960-T964 VanDerWaalsContact CA-OG1 3.31Å; G960-T964 WeakPolarHBondContact CA-OG1 3.39Å; G960-T964 PolarHBondContact N-OG1 2.98Å
961	G	85.4	Confident	84.9	Confident	13 Å²	13	32.7 Å²	32.7	13%	0.134	21%	0.209	C	C	.	.			trans	71.7	-159.6	178.5	0	0	0	0	0	113.6	P958 N963 T964	P958-G961 PolarHBondContact O-N 2.96Å; G961-N963 VanDerWaalsContact C-N 3.26Å; G961-N963 PolarHBondContact O-N 3.33Å; G961-T964 PolarHBondContact N-OG1 3.34Å; G961-T964 PolarHBondContact O-N 3.28Å; G961-T964 VanDerWaalsContact O-N 3.14Å; G961-T964 PolarHBondContact O-OG1 3.44Å
962	F	88.3	Confident	85.2	Confident	2 Å²	2	34.6 Å²	34.6	1%	0.009	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-64.1	-29.6	-175.4	-79.7	-87.8	0	0	0	113.4	I906 D910 F911 H914 L948 L957 T964 L965 F969	I906-F962 HydrophobicContact CG2-CE2 4.01Å; I906-F962 HydrophobicContact CG2-CZ 4.19Å; D910-F962 HydrophobicContact CB-CD2 4.46Å; D910-F962 WeakPolarHBondContact OD2-CD2 3.2Å; D910-F962 PolarHBondContact OD2-N 3.37Å; F911-F962 VanDerWaalsContact CA-CD2 3.5Å; F911-F962 HydrophobicContact CB-CD1 4.37Å; F911-F962 HydrophobicContact CB-CD2 3.84Å; F911-F962 HydrophobicContact CB-CE1 4.06Å; F911-F962 HydrophobicContact CB-CE2 3.43Å; F911-F962 VanDerWaalsContact CB-CE2 3.43Å; F911-F962 HydrophobicContact CB-CG 4.29Å; F911-F962 HydrophobicContact CB-CZ 3.57Å; F911-F962 HydrophobicContact CD1-CE1 4.22Å; F911-F962 HydrophobicContact CD1-CE2 4.47Å; F911-F962 AromaticContact CD1-CZ 3.82Å; F911-F962 HydrophobicContact CD1-CZ 3.82Å; F911-F962 AromaticContact CD2-CD1 3.54Å; F911-F962 HydrophobicContact CD2-CD1 3.54Å; F911-F962 AromaticContact CD2-CE1 3.15Å; F911-F962 HydrophobicContact CD2-CE1 3.15Å; F911-F962 HydrophobicContact CD2-CE2 4.2Å; F911-F962 HydrophobicContact CD2-CG 4.23Å; F911-F962 AromaticContact CD2-CZ 3.53Å; F911-F962 HydrophobicContact CD2-CZ 3.53Å; F911-F962 HydrophobicContact CE1-CZ 4.39Å; F911-F962 HydrophobicContact CE2-CD1 4.14Å; F911-F962 AromaticContact CE2-CE1 3.56Å; F911-F962 HydrophobicContact CE2-CE1 3.56Å; F911-F962 HydrophobicContact CE2-CZ 4.15Å; F911-F962 HydrophobicContact CG-CD1 4.15Å; F911-F962 HydrophobicContact CG-CD2 4.4Å; F911-F962 AromaticContact CG-CE1 3.55Å; F911-F962 HydrophobicContact CG-CE1 3.55Å; F911-F962 AromaticContact CG-CE2 3.81Å; F911-F962 HydrophobicContact CG-CE2 3.81Å; F911-F962 AromaticContact CG-CZ 3.35Å; F911-F962 HydrophobicContact CG-CZ 3.35Å; F911-F962 HydrophobicContact CZ-CE1 4.24Å; H914-F962 HydrophobicContact CB-CB 3.84Å; L948-F962 HydrophobicContact CD1-CE1 3.88Å; L948-F962 HydrophobicContact CD1-CZ 3.99Å; L957-F962 HydrophobicContact CD1-CD2 3.57Å; L957-F962 HydrophobicContact CD1-CE2 3.45Å; L957-F962 VanDerWaalsContact CD1-CE2 3.45Å; L957-F962 HydrophobicContact CD1-CG 4.36Å; L957-F962 HydrophobicContact CD1-CZ 4.14Å; L957-F962 HydrophobicContact CD2-CD1 3.97Å; L957-F962 HydrophobicContact CD2-CD2 3.99Å; L957-F962 HydrophobicContact CD2-CE1 3.84Å; L957-F962 HydrophobicContact CD2-CE2 3.9Å; L957-F962 HydrophobicContact CD2-CG 4.02Å; L957-F962 HydrophobicContact CD2-CZ 3.81Å; L957-F962 HydrophobicContact CG-CD2 4.44Å; L957-F962 HydrophobicContact CG-CE2 4.24Å; L957-F962 HydrophobicContact CG-CZ 4.48Å; F962-T964 PolarHBondContact O-N 3.21Å; F962-L965 HydrophobicContact CD1-CD1 3.52Å; F962-L965 HydrophobicContact CE1-CD1 4.13Å; F962-L965 HydrophobicContact CG-CD1 4.38Å; F962-L965 VanDerWaalsContact O-CB 3.31Å; F962-L965 WeakPolarHBondContact O-CB 3.3Å; F962-L965 WeakPolarHBondContact O-CG 3.38Å; F962-L965 PolarHBondContact O-N 2.91Å; F962-F969 HydrophobicContact CE1-CD2 4.45Å
963	N	88	Confident	85.6	Confident	106 Å²	106	35.1 Å²	35.1	57%	0.567	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-59.4	-29.1	176.2	-171.1	34.5	0	0	0	113	H914 G961 L965	H914-N963 WeakPolarHBondContact NE2-CB 3.46Å; G961-N963 VanDerWaalsContact C-N 3.26Å; G961-N963 PolarHBondContact O-N 3.33Å; N963-L965 VanDerWaalsContact C-N 3.29Å
964	T	84.9	Confident	86.2	Confident	59 Å²	59	35.8 Å²	35.8	36%	0.362	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-92.1	12.1	179.3	58.9	0	0	0	0	113.3	Q731 G960 G961 F962	Q731-T964 PolarHBondContact NE2-O 3.21Å; G960-T964 VanDerWaalsContact CA-OG1 3.31Å; G960-T964 WeakPolarHBondContact CA-OG1 3.39Å; G960-T964 PolarHBondContact N-OG1 2.98Å; G961-T964 PolarHBondContact N-OG1 3.34Å; G961-T964 PolarHBondContact O-N 3.28Å; G961-T964 VanDerWaalsContact O-N 3.14Å; G961-T964 PolarHBondContact O-OG1 3.44Å; F962-T964 PolarHBondContact O-N 3.21Å
965	L	83.7	Confident	86.4	Confident	6 Å²	6	42.5 Å²	42.5	3%	0.031	27%	0.273	C	S	.	.			trans	-67.4	128.3	167.9	-68	179.6	0	0	0	111.2	Q731 L957 P958 F962 N963 P967 S968 F969	Q731-L965 VanDerWaalsContact NE2-CA 3.27Å; L957-L965 HydrophobicContact CD2-CD2 4.5Å; P958-L965 HydrophobicContact CG-CD2 3.95Å; F962-L965 HydrophobicContact CD1-CD1 3.52Å; F962-L965 HydrophobicContact CE1-CD1 4.13Å; F962-L965 HydrophobicContact CG-CD1 4.38Å; F962-L965 VanDerWaalsContact O-CB 3.31Å; F962-L965 WeakPolarHBondContact O-CB 3.3Å; F962-L965 WeakPolarHBondContact O-CG 3.38Å; F962-L965 PolarHBondContact O-N 2.91Å; N963-L965 VanDerWaalsContact C-N 3.29Å; L965-P967 VanDerWaalsContact C-C 3.44Å; L965-P967 CarbonylContact C-O 3.47Å; L965-P967 CarbonylContact O-C 3.59Å; L965-P967 VanDerWaalsContact O-C 3.3Å; L965-S968 WeakPolarHBondContact O-CA 3.46Å; L965-S968 PolarHBondContact O-N 3.45Å; L965-F969 HydrophobicContact CD1-CB 3.94Å; L965-F969 HydrophobicContact CD1-CD2 4.3Å
966	C	76.4	Confident	86.6	Confident	72 Å²	72	45 Å²	45	49%	0.486	29%	0.288	S	S	.	.	S	Bend	trans	-136.5	99.3	-177.9	-173.8	0	0	0	0	109.8	N729 Q731	N729-C966 PolarHBondContact ND2-O 3.34Å; Q731-C966 HydrophobicContact CG-CB 4.05Å; Q731-C966 PolarHBondContact OE1-O 2.91Å
967	P	83.6	Confident	86.9	Confident	47 Å²	47	48.1 Å²	48.1	31%	0.305	30%	0.303	S	S	.	.	S	Bend	cis	-71	159.5	3.1	29.8	-35.6	0	0	0	113.1	L965 F987 N988	L965-P967 VanDerWaalsContact C-C 3.44Å; L965-P967 CarbonylContact C-O 3.47Å; L965-P967 CarbonylContact O-C 3.59Å; L965-P967 VanDerWaalsContact O-C 3.3Å; P967-F987 HydrophobicContact CG-CB 4.4Å; P967-F987 WeakPolarHBondContact CG-O 3.41Å; P967-N988 PolarHBondContact O-ND2 3.42Å
968	S	88.6	Confident	86.9	Confident	53 Å²	53	48 Å²	48	37%	0.371	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-58	150.4	175.3	-51.9	0	0	0	0	110.7	L965 Q970	L965-S968 WeakPolarHBondContact O-CA 3.46Å; L965-S968 PolarHBondContact O-N 3.45Å; S968-Q970 PolarHBondContact O-N 3.06Å
969	F	94.5	Very high	87.2	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-59.5	133.6	-179.8	-167.6	-79.4	0	0	0	111.1	F911 A915 V916 T951 T952 F962 L965 I971 N988 L990	F911-F969 HydrophobicContact CE2-CB 4.38Å; F911-F969 AromaticContact CE2-CD1 3.52Å; F911-F969 HydrophobicContact CE2-CD1 3.52Å; F911-F969 AromaticContact CE2-CD2 3.71Å; F911-F969 HydrophobicContact CE2-CD2 3.71Å; F911-F969 AromaticContact CE2-CE1 3.58Å; F911-F969 HydrophobicContact CE2-CE1 3.58Å; F911-F969 AromaticContact CE2-CE2 3.73Å; F911-F969 HydrophobicContact CE2-CE2 3.73Å; F911-F969 AromaticContact CE2-CG 3.6Å; F911-F969 HydrophobicContact CE2-CG 3.6Å; F911-F969 AromaticContact CE2-CZ 3.68Å; F911-F969 HydrophobicContact CE2-CZ 3.68Å; F911-F969 HydrophobicContact CZ-CD1 4.14Å; F911-F969 HydrophobicContact CZ-CD2 4.19Å; F911-F969 AromaticContact CZ-CE1 3.69Å; F911-F969 HydrophobicContact CZ-CE1 3.69Å; F911-F969 AromaticContact CZ-CE2 3.72Å; F911-F969 HydrophobicContact CZ-CE2 3.72Å; F911-F969 HydrophobicContact CZ-CG 4.37Å; F911-F969 AromaticContact CZ-CZ 3.46Å; F911-F969 HydrophobicContact CZ-CZ 3.46Å; F911-F969 VanDerWaalsContact CZ-CZ 3.46Å; A915-F969 WeakPolarHBondContact CA-O 3.41Å; A915-F969 HydrophobicContact CB-CD1 4.06Å; V916-F969 PolarHBondContact N-O 2.96Å; T951-F969 HydrophobicContact CG2-CE2 4.12Å; T951-F969 HydrophobicContact CG2-CZ 3.9Å; T951-F969 VanDerWaalsContact OG1-CE2 3.31Å; T951-F969 WeakPolarHBondContact OG1-CE2 3.43Å; T952-F969 HydrophobicContact CG2-CD2 4.33Å; T952-F969 HydrophobicContact CG2-CE2 4.4Å; F962-F969 HydrophobicContact CE1-CD2 4.45Å; L965-F969 HydrophobicContact CD1-CB 3.94Å; L965-F969 HydrophobicContact CD1-CD2 4.3Å; F969-I971 HydrophobicContact CD1-CG1 4.25Å; F969-I971 HydrophobicContact CE1-CG1 3.77Å; F969-N988 WeakPolarHBondContact CA-O 3.41Å; F969-N988 HydrophobicContact CD2-CB 4.48Å; F969-L990 HydrophobicContact CE1-CB 4.32Å; F969-L990 HydrophobicContact CZ-CB 4.2Å
970	Q	94.8	Very high	87.8	Confident	46 Å²	46	45.6 Å²	45.6	22%	0.215	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	135.5	-177.1	-76	170.3	35.8	0	0	111.9	V916 V918 S968 N988 Q989 L990	V916-Q970 HydrophobicContact CB-CG 4.15Å; V916-Q970 CarbonylContact O-C 3.45Å; V916-Q970 VanDerWaalsContact O-CA 3.3Å; V916-Q970 WeakPolarHBondContact O-CA 3.34Å; V918-Q970 HydrophobicContact CG2-CG 4.36Å; S968-Q970 PolarHBondContact O-N 3.06Å; Q970-N988 PolarHBondContact N-O 2.79Å; Q970-Q989 HydrophobicContact CB-CG 3.63Å; Q970-Q989 CarbonylContact O-C 3.51Å; Q970-Q989 WeakPolarHBondContact O-CA 3.4Å; Q970-L990 PolarHBondContact O-N 3.16Å
971	I	97.4	Very high	88.6	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	108.5	168	-56.2	170.2	0	0	0	107.2	V916 I917 V918 F924 M929 F932 W933 F969 L990 L992	V916-I971 PolarHBondContact O-N 3.36Å; I917-I971 WeakPolarHBondContact CA-O 3.31Å; V918-I971 PolarHBondContact N-O 2.95Å; F924-I971 HydrophobicContact CZ-CG2 4.38Å; M929-I971 HydrophobicContact CE-CG2 3.91Å; M929-I971 HydrophobicContact SD-CD1 4.4Å; M929-I971 HydrophobicContact SD-CG2 3.94Å; F932-I971 HydrophobicContact CD1-CD1 3.83Å; F932-I971 HydrophobicContact CE1-CD1 3.37Å; F932-I971 HydrophobicContact CE1-CG1 4.49Å; F932-I971 HydrophobicContact CZ-CD1 3.92Å; W933-I971 HydrophobicContact CH2-CD1 4.31Å; W933-I971 HydrophobicContact CZ2-CD1 3.77Å; F969-I971 HydrophobicContact CD1-CG1 4.25Å; F969-I971 HydrophobicContact CE1-CG1 3.77Å; I971-L990 CarbonylContact C-O 3.46Å; I971-L990 WeakPolarHBondContact CA-O 3.44Å; I971-L992 HydrophobicContact CG2-CB 4.06Å; I971-L992 HydrophobicContact CG2-CD2 4.48Å
972	I	95.8	Very high	88.7	Confident	40 Å²	40	45.8 Å²	45.8	21%	0.205	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	129.1	179.9	-60.5	178.1	0	0	0	108.5	V918 A974 Q989 L990 C991 L992	V918-I972 HydrophobicContact CB-CG1 4.21Å; I972-A974 PolarHBondContact O-N 3.19Å; I972-A974 VanDerWaalsContact O-N 3.14Å; I972-Q989 HydrophobicContact CD1-CB 4.28Å; I972-Q989 HydrophobicContact CD1-CG 3.67Å; I972-Q989 HydrophobicContact CG1-CG 4.27Å; I972-L990 PolarHBondContact N-O 2.99Å; I972-C991 CarbonylContact O-C 3.5Å; I972-C991 WeakPolarHBondContact O-CA 3.3Å; I972-L992 PolarHBondContact O-N 3.38Å
973	A	94.3	Very high	88.7	Confident	20 Å²	20	45.8 Å²	45.8	17%	0.165	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	109.3	168.7	0	0	0	0	0	110	V918 G920 F924	V918-A973 PolarHBondContact O-N 3.12Å; G920-A973 VanDerWaalsContact N-CB 3.32Å; F924-A973 HydrophobicContact CD1-CB 3.79Å; F924-A973 HydrophobicContact CD2-CB 4.18Å; F924-A973 HydrophobicContact CE1-CB 3.57Å; F924-A973 HydrophobicContact CE2-CB 3.98Å; F924-A973 HydrophobicContact CG-CB 4.07Å; F924-A973 HydrophobicContact CZ-CB 3.66Å
974	A	91.4	Very high	88.4	Confident	15 Å²	15	44.7 Å²	44.7	12%	0.124	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	142.2	175.4	0	0	0	0	0	109.9	I972 T976 C991 L992 P993	I972-A974 PolarHBondContact O-N 3.19Å; I972-A974 VanDerWaalsContact O-N 3.14Å; A974-T976 PolarHBondContact O-N 3.48Å; A974-C991 HydrophobicContact CB-CB 4.37Å; A974-L992 PolarHBondContact N-O 3.03Å; A974-P993 HydrophobicContact CB-CG 4.38Å
975	P	88.6	Confident	88.2	Confident	141 Å²	141	42.2 Å²	42.2	92%	0.916	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	40.6	177.4	35.2	-37	0	0	0	111.8
976	T	87.9	Confident	87.5	Confident	55 Å²	55	42.1 Å²	42.1	34%	0.337	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	160.9	-179.5	59.6	0	0	0	0	110.3	A974 T979 P993 T994	A974-T976 PolarHBondContact O-N 3.48Å; T976-T979 WeakPolarHBondContact CB-OG1 3.49Å; T976-T979 PolarHBondContact OG1-OG1 3.48Å; T976-P993 WeakPolarHBondContact O-CB 3.44Å; T976-T994 PolarHBondContact O-N 3.32Å; T976-T994 VanDerWaalsContact O-N 3.07Å
977	H	90.9	Very high	87.7	Confident	92 Å²	92	42.7 Å²	42.7	43%	0.426	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	135.4	-177.8	-179.2	-88.5	0	0	0	109.2	T979 T994 D996	H977-T979 PolarHBondContact O-N 3.02Å; H977-T994 WeakPolarHBondContact CA-O 3.18Å; H977-D996 IonicContact CD2-OD1 2.76Å; H977-D996 IonicContact CE1-OD1 3.62Å; H977-D996 IonicContact CE1-OD2 2.77Å; H977-D996 PolarHBondContact CE1-OD2 2.97Å; H977-D996 IonicContact NE2-OD1 2.88Å; H977-D996 PolarHBondContact NE2-OD1 3.42Å; H977-D996 IonicContact NE2-OD2 3.65Å; H977-D996 PolarHBondContact NE2-OD2 3.02Å; H977-D996 VanDerWaalsContact NE2-OD2 3.13Å
978	S	83.4	Confident	87.9	Confident	37 Å²	37	40.8 Å²	40.8	26%	0.259	23%	0.233	S	C	.	.	S	Bend	trans	55.7	18.5	178.4	-63.7	0	0	0	0	116.6	T994 E1000	S978-T994 PolarHBondContact N-O 3.49Å; S978-E1000 WeakPolarHBondContact CB-OE1 3.02Å; S978-E1000 PolarHBondContact OG-OE1 3.03Å
979	T	84.9	Confident	88	Confident	49 Å²	49	39.5 Å²	39.5	30%	0.301	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-88.6	170.9	174.8	64.2	0	0	0	0	111.8	T976 H977 P993 Y995	T976-T979 WeakPolarHBondContact CB-OG1 3.49Å; T976-T979 PolarHBondContact OG1-OG1 3.48Å; H977-T979 PolarHBondContact O-N 3.02Å; T979-P993 WeakPolarHBondContact O-CG 3.4Å; T979-P993 WeakPolarHBondContact OG1-CG 3.34Å; T979-Y995 WeakPolarHBondContact O-CE1 3.14Å; T979-Y995 PolarHBondContact O-OH 3.41Å
980	L	86.3	Confident	88.1	Confident	60 Å²	60	39.5 Å²	39.5	31%	0.314	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-64.3	141.6	169.3	-80.5	171.8	0	0	0	111	M1004 L1007 A1008	L980-M1004 HydrophobicContact CD2-SD 4.24Å; L980-L1007 HydrophobicContact CD2-CB 3.97Å; L980-L1007 HydrophobicContact CD2-CD2 3.88Å; L980-L1007 HydrophobicContact CD2-CG 4.02Å; L980-A1008 HydrophobicContact CD2-CB 4.34Å
981	P	91.6	Very high	88	Confident	5 Å²	5	38 Å²	38	3%	0.032	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-61.1	141.5	166.3	-21.1	32.3	0	0	0	111	L990 C991 L992 Y995 L1005 A1008	P981-L990 HydrophobicContact CB-CD1 3.99Å; P981-C991 WeakPolarHBondContact CA-O 3.44Å; P981-L992 HydrophobicContact CB-CD1 4.14Å; P981-L992 HydrophobicContact CG-CD1 3.9Å; P981-Y995 VanDerWaalsContact CD-OH 3.3Å; P981-Y995 WeakPolarHBondContact CD-OH 3.07Å; P981-Y995 WeakPolarHBondContact CG-OH 3.34Å; P981-L1005 HydrophobicContact CB-CD1 4.5Å; P981-L1005 HydrophobicContact CG-CD1 4.19Å; P981-A1008 HydrophobicContact CB-CB 4.33Å; P981-A1008 HydrophobicContact CG-CB 4.3Å
982	T	87.9	Confident	88	Confident	56 Å²	56	38 Å²	38	34%	0.344	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	162.9	172.2	57.3	0	0	0	0	109.8	C991	T982-C991 PolarHBondContact N-O 3.07Å; T982-C991 VanDerWaalsContact N-O 3.11Å; T982-C991 PolarHBondContact O-N 3.37Å; T982-C991 VanDerWaalsContact OG1-CB 3.26Å; T982-C991 WeakPolarHBondContact OG1-CB 3.31Å
983	A	87.1	Confident	87.9	Confident	3 Å²	3	36.1 Å²	36.1	3%	0.025	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	149.9	179.3	0	0	0	0	0	111.2	F950 T951 Q989	F950-A983 HydrophobicContact CD1-CB 3.88Å; F950-A983 HydrophobicContact CD2-CB 4.43Å; F950-A983 HydrophobicContact CE1-CB 3.6Å; F950-A983 HydrophobicContact CE2-CB 4.19Å; F950-A983 HydrophobicContact CG-CB 4.29Å; F950-A983 HydrophobicContact CZ-CB 3.77Å; F950-A983 WeakPolarHBondContact O-CB 3.3Å; T951-A983 HydrophobicContact CG2-CB 4.32Å; A983-Q989 CarbonylContact C-O 3.44Å; A983-Q989 VanDerWaalsContact CA-O 3.23Å; A983-Q989 WeakPolarHBondContact CA-O 3.4Å; A983-Q989 WeakPolarHBondContact CB-O 3.44Å
984	H	81.4	Confident	87.7	Confident	82 Å²	82	36.6 Å²	36.6	38%	0.38	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	95.3	168.7	-61.5	-61.6	0	0	0	107.5	C986 F987 N988 Q989	H984-C986 PolarHBondContact O-N 3.46Å; H984-C986 VanDerWaalsContact O-N 3.17Å; H984-F987 HydrophobicContact CB-CD2 4.09Å; H984-F987 PolarHBondContact O-N 3.27Å; H984-N988 PolarHBondContact O-N 3.3Å; H984-Q989 HydrophobicContact CB-CB 4.19Å; H984-Q989 PolarHBondContact N-O 3.38Å; H984-Q989 PolarHBondContact O-N 3.12Å; H984-Q989 VanDerWaalsContact O-N 3.13Å
985	T	80.9	Confident	87.4	Confident	7 Å²	7	35.9 Å²	35.9	4%	0.043	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-58.4	-31.8	-178.1	58.2	0	0	0	0	111.5	E796 T797 F950 T951 F987 N988	E796-T985 PolarHBondContact O-OG1 3.36Å; T797-T985 HydrophobicContact CG2-CG2 4.47Å; F950-T985 WeakPolarHBondContact O-CG2 3.44Å; T951-T985 WeakPolarHBondContact O-CA 3.06Å; T985-F987 PolarHBondContact O-N 3.45Å; T985-N988 PolarHBondContact O-N 3.4Å
986	C	70.8	Confident	87	Confident	5 Å²	5	34.1 Å²	34.1	3%	0.034	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-58.7	-15.1	174.7	-69.8	0	0	0	0	116.3	E796 Q800 K804 H984	E796-C986 PolarHBondContact O-SG 3.13Å; Q800-C986 HydrophobicContact CB-CB 4.22Å; Q800-C986 VanDerWaalsContact CD-CA 3.47Å; Q800-C986 HydrophobicContact CG-CB 4.33Å; Q800-C986 PolarHBondContact OE1-O 3.32Å; K804-C986 PolarHBondContact NZ-O 2.83Å; K804-C986 VanDerWaalsContact NZ-O 3.13Å; H984-C986 PolarHBondContact O-N 3.46Å; H984-C986 VanDerWaalsContact O-N 3.17Å
987	F	79.7	Confident	86	Confident	84 Å²	84	33.3 Å²	33.3	37%	0.368	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-129.6	10.3	-179.3	-61.4	-76.6	0	0	0	112.3	K804 P967 H984 T985 Q989	K804-F987 HydrophobicContact CD-CE2 4.4Å; K804-F987 HydrophobicContact CD-CZ 3.95Å; P967-F987 HydrophobicContact CG-CB 4.4Å; P967-F987 WeakPolarHBondContact CG-O 3.41Å; H984-F987 HydrophobicContact CB-CD2 4.09Å; H984-F987 PolarHBondContact O-N 3.27Å; T985-F987 PolarHBondContact O-N 3.45Å; F987-Q989 HydrophobicContact CB-CB 4.03Å; F987-Q989 HydrophobicContact CB-CG 3.6Å; F987-Q989 PolarHBondContact O-N 3.02Å
988	N	87.4	Confident	85.5	Confident	6 Å²	6	31.1 Å²	31.1	3%	0.032	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	41.7	-170.5	-60.2	-42.4	0	0	0	111.3	Q731 T951 T952 P967 F969 Q970 H984 T985	Q731-N988 PolarHBondContact OE1-ND2 3.37Å; T951-N988 WeakPolarHBondContact O-CA 3.26Å; T952-N988 WeakPolarHBondContact CB-OD1 3.31Å; T952-N988 HydrophobicContact CG2-CB 4.35Å; T952-N988 WeakPolarHBondContact CG2-OD1 3.44Å; P967-N988 PolarHBondContact O-ND2 3.42Å; F969-N988 WeakPolarHBondContact CA-O 3.41Å; F969-N988 HydrophobicContact CD2-CB 4.48Å; Q970-N988 PolarHBondContact N-O 2.79Å; H984-N988 PolarHBondContact O-N 3.3Å; T985-N988 PolarHBondContact O-N 3.4Å
989	Q	91.3	Very high	84.8	Confident	27 Å²	27	34.7 Å²	34.7	13%	0.126	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	129.6	-169.1	-87.7	170.6	8	0	0	111.8	Q970 I972 A983 H984 F987	Q970-Q989 HydrophobicContact CB-CG 3.63Å; Q970-Q989 CarbonylContact O-C 3.51Å; Q970-Q989 WeakPolarHBondContact O-CA 3.4Å; I972-Q989 HydrophobicContact CD1-CB 4.28Å; I972-Q989 HydrophobicContact CD1-CG 3.67Å; I972-Q989 HydrophobicContact CG1-CG 4.27Å; A983-Q989 CarbonylContact C-O 3.44Å; A983-Q989 VanDerWaalsContact CA-O 3.23Å; A983-Q989 WeakPolarHBondContact CA-O 3.4Å; A983-Q989 WeakPolarHBondContact CB-O 3.44Å; H984-Q989 HydrophobicContact CB-CB 4.19Å; H984-Q989 PolarHBondContact N-O 3.38Å; H984-Q989 PolarHBondContact O-N 3.12Å; H984-Q989 VanDerWaalsContact O-N 3.13Å; F987-Q989 HydrophobicContact CB-CB 4.03Å; F987-Q989 HydrophobicContact CB-CG 3.6Å; F987-Q989 PolarHBondContact O-N 3.02Å
990	L	95.5	Very high	84.1	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	115.9	165.1	179.8	67	0	0	0	109	F932 F950 T951 F969 Q970 I971 I972 P981 L992 L1005	F932-L990 HydrophobicContact CD2-CD2 4.39Å; F932-L990 HydrophobicContact CE2-CD2 3.42Å; F932-L990 VanDerWaalsContact CE2-CD2 3.42Å; F932-L990 HydrophobicContact CZ-CD2 3.78Å; F950-L990 HydrophobicContact CD1-CD1 4.3Å; F950-L990 HydrophobicContact CE1-CD1 3.86Å; T951-L990 HydrophobicContact CG2-CB 3.99Å; T951-L990 HydrophobicContact CG2-CD1 4.05Å; F969-L990 HydrophobicContact CE1-CB 4.32Å; F969-L990 HydrophobicContact CZ-CB 4.2Å; Q970-L990 PolarHBondContact O-N 3.16Å; I971-L990 CarbonylContact C-O 3.46Å; I971-L990 WeakPolarHBondContact CA-O 3.44Å; I972-L990 PolarHBondContact N-O 2.99Å; P981-L990 HydrophobicContact CB-CD1 3.99Å; L990-L992 HydrophobicContact CD2-CD1 4.3Å; L990-L992 PolarHBondContact O-N 3.12Å; L990-L1005 HydrophobicContact CD2-CD1 4.44Å
991	C	94.1	Very high	83.7	Confident	14 Å²	14	31.4 Å²	31.4	10%	0.095	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	103.8	171.3	-66.9	0	0	0	0	108.4	I972 A974 P981 T982	I972-C991 CarbonylContact O-C 3.5Å; I972-C991 WeakPolarHBondContact O-CA 3.3Å; A974-C991 HydrophobicContact CB-CB 4.37Å; P981-C991 WeakPolarHBondContact CA-O 3.44Å; T982-C991 PolarHBondContact N-O 3.07Å; T982-C991 VanDerWaalsContact N-O 3.11Å; T982-C991 PolarHBondContact O-N 3.37Å; T982-C991 VanDerWaalsContact OG1-CB 3.26Å; T982-C991 WeakPolarHBondContact OG1-CB 3.31Å
992	L	95.9	Very high	83.2	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	119.4	-176.1	-162.6	75.7	0	0	0	110.3	F924 V928 M929 F932 I971 I972 A974 P981 L990 Y995 L1001	F924-L992 HydrophobicContact CE2-CB 4.12Å; F924-L992 HydrophobicContact CE2-CD2 4.2Å; F924-L992 HydrophobicContact CE2-CG 4.39Å; F924-L992 WeakPolarHBondContact CE2-O 3.4Å; F924-L992 HydrophobicContact CZ-CB 4.1Å; F924-L992 HydrophobicContact CZ-CD2 4.34Å; V928-L992 HydrophobicContact CG1-CD2 3.91Å; M929-L992 HydrophobicContact CE-CD2 3.35Å; F932-L992 HydrophobicContact CB-CD2 4.22Å; F932-L992 HydrophobicContact CD2-CD1 4.36Å; F932-L992 HydrophobicContact CD2-CD2 3.97Å; F932-L992 HydrophobicContact CG-CD2 4.29Å; I971-L992 HydrophobicContact CG2-CB 4.06Å; I971-L992 HydrophobicContact CG2-CD2 4.48Å; I972-L992 PolarHBondContact O-N 3.38Å; A974-L992 PolarHBondContact N-O 3.03Å; P981-L992 HydrophobicContact CB-CD1 4.14Å; P981-L992 HydrophobicContact CG-CD1 3.9Å; L990-L992 HydrophobicContact CD2-CD1 4.3Å; L990-L992 PolarHBondContact O-N 3.12Å; L992-Y995 HydrophobicContact CD1-CE2 4.06Å; L992-Y995 HydrophobicContact CG-CE2 4.13Å; L992-L1001 HydrophobicContact CD2-CD1 4.33Å
993	P	93.9	Very high	82.7	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	166.5	170.5	-25	36.2	0	0	0	112.8	A974 T976 T979 Y995	A974-P993 HydrophobicContact CB-CG 4.38Å; T976-P993 WeakPolarHBondContact O-CB 3.44Å; T979-P993 WeakPolarHBondContact O-CG 3.4Å; T979-P993 WeakPolarHBondContact OG1-CG 3.34Å; P993-Y995 HydrophobicContact CB-CE1 4.25Å; P993-Y995 HydrophobicContact CB-CE2 4.26Å; P993-Y995 WeakPolarHBondContact CD-OH 3.37Å; P993-Y995 WeakPolarHBondContact O-CD2 3.48Å; P993-Y995 WeakPolarHBondContact O-CE2 3.14Å
994	T	90	Very high	82.5	Confident	30 Å²	30	37.8 Å²	37.8	18%	0.184	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	139.9	165.6	-59.4	0	0	0	0	109.6	V928 T976 H977 S978	V928-T994 HydrophobicContact CG2-CG2 4.23Å; T976-T994 PolarHBondContact O-N 3.32Å; T976-T994 VanDerWaalsContact O-N 3.07Å; H977-T994 WeakPolarHBondContact CA-O 3.18Å; S978-T994 PolarHBondContact N-O 3.49Å
995	Y	86.3	Confident	82.8	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.166	C	C	.	.			trans	-126.6	159.1	176.7	-60.3	-70.4	0	0	0	110.1	H923 V928 W931 T979 P981 L992 P993 E1000 L1001 M1004	H923-Y995 PolarHBondContact NE2-O 3.49Å; V928-Y995 HydrophobicContact CG1-CD2 4.18Å; W931-Y995 WeakPolarHBondContact CZ3-O 3.37Å; T979-Y995 WeakPolarHBondContact O-CE1 3.14Å; T979-Y995 PolarHBondContact O-OH 3.41Å; P981-Y995 VanDerWaalsContact CD-OH 3.3Å; P981-Y995 WeakPolarHBondContact CD-OH 3.07Å; P981-Y995 WeakPolarHBondContact CG-OH 3.34Å; L992-Y995 HydrophobicContact CD1-CE2 4.06Å; L992-Y995 HydrophobicContact CG-CE2 4.13Å; P993-Y995 HydrophobicContact CB-CE1 4.25Å; P993-Y995 HydrophobicContact CB-CE2 4.26Å; P993-Y995 WeakPolarHBondContact CD-OH 3.37Å; P993-Y995 WeakPolarHBondContact O-CD2 3.48Å; P993-Y995 WeakPolarHBondContact O-CE2 3.14Å; Y995-E1000 HydrophobicContact CD1-CG 3.81Å; Y995-L1001 HydrophobicContact CD2-CB 3.78Å; Y995-L1001 HydrophobicContact CD2-CD1 3.91Å; Y995-L1001 HydrophobicContact CD2-CG 3.74Å; Y995-L1001 HydrophobicContact CE2-CB 4.37Å; Y995-L1001 HydrophobicContact CE2-CD1 4.48Å; Y995-L1001 HydrophobicContact CE2-CG 4.04Å; Y995-L1001 HydrophobicContact CG-CB 4.1Å; Y995-M1004 HydrophobicContact CE1-CB 3.97Å; Y995-M1004 HydrophobicContact CE1-CG 3.81Å
996	D	80.4	Confident	82.9	Confident	103 Å²	103	36.6 Å²	36.6	55%	0.551	18%	0.177	S	C	*	.	S	Bend	trans	-98.5	-15	-177.5	-65.3	-22.5	0	0	0	112.6	W931 H977 E1000	W931-D996 VanDerWaalsContact CH2-O 3.29Å; W931-D996 WeakPolarHBondContact CH2-O 3.25Å; H977-D996 IonicContact CD2-OD1 2.76Å; H977-D996 IonicContact CE1-OD1 3.62Å; H977-D996 IonicContact CE1-OD2 2.77Å; H977-D996 PolarHBondContact CE1-OD2 2.97Å; H977-D996 IonicContact NE2-OD1 2.88Å; H977-D996 PolarHBondContact NE2-OD1 3.42Å; H977-D996 IonicContact NE2-OD2 3.65Å; H977-D996 PolarHBondContact NE2-OD2 3.02Å; H977-D996 VanDerWaalsContact NE2-OD2 3.13Å; D996-E1000 PolarHBondContact N-OE2 3.05Å
997	S	67	Low	83.2	Confident	38 Å²	38	38.9 Å²	38.9	27%	0.266	19%	0.189	S	C	.	.			trans	-145.2	162.2	179.5	66.6	0	0	0	0	113.7	E999 E1000 L1001	S997-E999 VanDerWaalsContact C-N 3.34Å; S997-E999 WeakPolarHBondContact CB-OE2 3.14Å; S997-E1000 WeakPolarHBondContact OG-CB 3.41Å; S997-E1000 PolarHBondContact OG-N 2.88Å; S997-L1001 PolarHBondContact O-N 3.49Å
998	Y	79.9	Confident	83.4	Confident	46 Å²	46	35.1 Å²	35.1	18%	0.18	17%	0.173	C	C	.	.	H	α-helix	trans	-64.3	-42	173.8	167.4	-94.2	0	0	0	111.2	W931 A934 V935 E1000 L1001 H1002	W931-Y998 HydrophobicContact CB-CD2 3.96Å; W931-Y998 HydrophobicContact CG-CD2 4.26Å; A934-Y998 HydrophobicContact CB-CD2 4.35Å; A934-Y998 HydrophobicContact CB-CE2 3.77Å; V935-Y998 HydrophobicContact CB-CE2 4.35Å; V935-Y998 HydrophobicContact CG2-CD2 3.86Å; V935-Y998 HydrophobicContact CG2-CE2 3.3Å; Y998-E1000 VanDerWaalsContact C-N 3.35Å; Y998-E1000 PolarHBondContact O-N 2.86Å; Y998-L1001 PolarHBondContact O-N 3.09Å; Y998-H1002 HydrophobicContact CE1-CB 4.48Å; Y998-H1002 WeakPolarHBondContact O-CB 3.19Å; Y998-H1002 PolarHBondContact O-N 3.44Å
999	E	69.2	Low	83.3	Confident	112 Å²	112	35 Å²	35	52%	0.523	17%	0.173	S	C	.	.	H	α-helix	trans	-64.8	-41.2	-176	-64.9	70.1	-154.7	0	0	111	S997 H1002 K1003	S997-E999 VanDerWaalsContact C-N 3.34Å; S997-E999 WeakPolarHBondContact CB-OE2 3.14Å; E999-H1002 PolarHBondContact O-N 2.88Å; E999-K1003 WeakPolarHBondContact O-CB 3.36Å; E999-K1003 PolarHBondContact O-N 3.25Å
1000	E	69.8	Low	82.2	Confident	41 Å²	41	36.4 Å²	36.4	19%	0.192	19%	0.185	C	C	.	.	H	α-helix	trans	-63.8	-49.5	175	-175.5	-179.2	-155.8	0	0	111.6	S978 Y995 D996 S997 Y998 H1002 K1003 M1004	S978-E1000 WeakPolarHBondContact CB-OE1 3.02Å; S978-E1000 PolarHBondContact OG-OE1 3.03Å; Y995-E1000 HydrophobicContact CD1-CG 3.81Å; D996-E1000 PolarHBondContact N-OE2 3.05Å; S997-E1000 WeakPolarHBondContact OG-CB 3.41Å; S997-E1000 PolarHBondContact OG-N 2.88Å; Y998-E1000 VanDerWaalsContact C-N 3.35Å; Y998-E1000 PolarHBondContact O-N 2.86Å; E1000-H1002 VanDerWaalsContact C-N 3.33Å; E1000-H1002 PolarHBondContact O-N 2.83Å; E1000-K1003 PolarHBondContact O-N 3.42Å; E1000-M1004 HydrophobicContact CG-CG 4.45Å; E1000-M1004 WeakPolarHBondContact O-CG 3.39Å; E1000-M1004 PolarHBondContact O-N 3.28Å
1001	L	77.9	Confident	80.6	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-57.9	-47.5	175.9	-172.3	160.7	0	0	0	111	V928 W931 F932 V935 L992 Y995 S997 Y998 K1003 M1004 L1005	V928-L1001 HydrophobicContact CG1-CD1 3.69Å; V928-L1001 WeakPolarHBondContact O-CD1 3.5Å; W931-L1001 HydrophobicContact CB-CD1 3.93Å; F932-L1001 HydrophobicContact CB-CD1 4.11Å; F932-L1001 HydrophobicContact CB-CD2 4.41Å; F932-L1001 HydrophobicContact CD2-CD2 4.48Å; V935-L1001 HydrophobicContact CB-CD2 4.02Å; V935-L1001 HydrophobicContact CG1-CD2 4.27Å; V935-L1001 HydrophobicContact CG2-CD2 3.71Å; L992-L1001 HydrophobicContact CD2-CD1 4.33Å; Y995-L1001 HydrophobicContact CD2-CB 3.78Å; Y995-L1001 HydrophobicContact CD2-CD1 3.91Å; Y995-L1001 HydrophobicContact CD2-CG 3.74Å; Y995-L1001 HydrophobicContact CE2-CB 4.37Å; Y995-L1001 HydrophobicContact CE2-CD1 4.48Å; Y995-L1001 HydrophobicContact CE2-CG 4.04Å; Y995-L1001 HydrophobicContact CG-CB 4.1Å; S997-L1001 PolarHBondContact O-N 3.49Å; Y998-L1001 PolarHBondContact O-N 3.09Å; L1001-K1003 VanDerWaalsContact C-N 3.33Å; L1001-K1003 PolarHBondContact O-N 2.9Å; L1001-M1004 PolarHBondContact O-N 3.27Å; L1001-L1005 HydrophobicContact CD2-CB 4.36Å; L1001-L1005 HydrophobicContact CD2-CD2 4.3Å; L1001-L1005 VanDerWaalsContact O-CB 3.26Å; L1001-L1005 WeakPolarHBondContact O-CB 3.45Å; L1001-L1005 PolarHBondContact O-N 2.73Å
1002	H	81.8	Confident	78.5	Confident	27 Å²	27	40.8 Å²	40.8	13%	0.125	21%	0.211	C	C	.	.	H	α-helix	trans	-57.4	-46.8	178.6	177	-84.3	0	0	0	111.1	K365 V935 Y998 E999 E1000 K1006	K365-H1002 PolarHBondContact NZ-CE1 3.11Å; V935-H1002 HydrophobicContact CG1-CB 4.34Å; V935-H1002 HydrophobicContact CG2-CB 3.61Å; Y998-H1002 HydrophobicContact CE1-CB 4.48Å; Y998-H1002 WeakPolarHBondContact O-CB 3.19Å; Y998-H1002 PolarHBondContact O-N 3.44Å; E999-H1002 PolarHBondContact O-N 2.88Å; E1000-H1002 VanDerWaalsContact C-N 3.33Å; E1000-H1002 PolarHBondContact O-N 2.83Å; H1002-K1006 WeakPolarHBondContact O-CB 3.42Å; H1002-K1006 PolarHBondContact O-N 2.6Å
1003	K	77.1	Confident	75.8	Confident	135 Å²	135	42.1 Å²	42.1	59%	0.587	22%	0.22	S	C	*	.	H	α-helix	trans	-60.6	-52.4	177.4	-178.1	-175.4	175.7	-173.8	0	111.2	E999 E1000 L1001 K1006 L1007	E999-K1003 WeakPolarHBondContact O-CB 3.36Å; E999-K1003 PolarHBondContact O-N 3.25Å; E1000-K1003 PolarHBondContact O-N 3.42Å; L1001-K1003 VanDerWaalsContact C-N 3.33Å; L1001-K1003 PolarHBondContact O-N 2.9Å; K1003-K1006 PolarHBondContact O-N 2.97Å; K1003-L1007 WeakPolarHBondContact O-CB 3.48Å; K1003-L1007 PolarHBondContact O-N 3.37Å
1004	M	82.9	Confident	73.4	Confident	36 Å²	36	47.6 Å²	47.6	18%	0.177	25%	0.245	C	C	.	.	H	α-helix	trans	-68.1	-41	-174.6	-65.8	-58.1	-172.8	0	0	112.5	L980 Y995 E1000 L1001 L1007 A1008	L980-M1004 HydrophobicContact CD2-SD 4.24Å; Y995-M1004 HydrophobicContact CE1-CB 3.97Å; Y995-M1004 HydrophobicContact CE1-CG 3.81Å; E1000-M1004 HydrophobicContact CG-CG 4.45Å; E1000-M1004 WeakPolarHBondContact O-CG 3.39Å; E1000-M1004 PolarHBondContact O-N 3.28Å; L1001-M1004 PolarHBondContact O-N 3.27Å; M1004-L1007 PolarHBondContact O-N 2.93Å; M1004-A1008 WeakPolarHBondContact O-CB 3.39Å; M1004-A1008 PolarHBondContact O-N 3.17Å
1005	L	87.4	Confident	70.7	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-66.2	-41.8	176.5	-175.4	62	0	0	0	111.5	F932 V935 V936 F939 L947 P981 L990 L1001 L1007 A1008 I1009	F932-L1005 HydrophobicContact CD2-CD2 3.91Å; F932-L1005 HydrophobicContact CE2-CD1 4.49Å; F932-L1005 HydrophobicContact CE2-CD2 3.72Å; V935-L1005 HydrophobicContact CG1-CD2 3.89Å; V936-L1005 HydrophobicContact CG2-CD2 4.38Å; F939-L1005 HydrophobicContact CE2-CD2 4.02Å; F939-L1005 HydrophobicContact CE2-CG 4.27Å; F939-L1005 HydrophobicContact CZ-CD2 3.91Å; F939-L1005 HydrophobicContact CZ-CG 4.04Å; L947-L1005 HydrophobicContact CD1-CD1 4.11Å; P981-L1005 HydrophobicContact CB-CD1 4.5Å; P981-L1005 HydrophobicContact CG-CD1 4.19Å; L990-L1005 HydrophobicContact CD2-CD1 4.44Å; L1001-L1005 HydrophobicContact CD2-CB 4.36Å; L1001-L1005 HydrophobicContact CD2-CD2 4.3Å; L1001-L1005 VanDerWaalsContact O-CB 3.26Å; L1001-L1005 WeakPolarHBondContact O-CB 3.45Å; L1001-L1005 PolarHBondContact O-N 2.73Å; L1005-L1007 VanDerWaalsContact C-N 3.33Å; L1005-A1008 PolarHBondContact O-N 3.34Å; L1005-I1009 WeakPolarHBondContact O-CG1 3.45Å; L1005-I1009 PolarHBondContact O-N 3.07Å; L1005-I1009 VanDerWaalsContact O-N 3.14Å
1006	K	81.8	Confident	68.1	Low	63 Å²	63	52.6 Å²	52.6	27%	0.274	28%	0.276	S	S	.	.	H	α-helix	trans	-63.7	-41.4	177	-174.1	165.6	179.7	147.7	0	111.6	E943 H1002 K1003 I1009 S1010	E943-K1006 VanDerWaalsContact OE1-CE 3.28Å; E943-K1006 WeakPolarHBondContact OE1-CE 3.22Å; E943-K1006 IonicContact OE1-NZ 3.91Å; E943-K1006 PolarHBondContact OE1-NZ 3.43Å; H1002-K1006 WeakPolarHBondContact O-CB 3.42Å; H1002-K1006 PolarHBondContact O-N 2.6Å; K1003-K1006 PolarHBondContact O-N 2.97Å; K1006-I1009 VanDerWaalsContact O-CG1 3.3Å; K1006-I1009 WeakPolarHBondContact O-CG1 3.48Å; K1006-I1009 PolarHBondContact O-N 3Å; K1006-S1010 WeakPolarHBondContact O-CB 3.39Å; K1006-S1010 PolarHBondContact O-N 2.96Å; K1006-S1010 PolarHBondContact O-OG 2.96Å
1007	L	78.2	Confident	65.6	Low	53 Å²	53	50.7 Å²	50.7	28%	0.277	28%	0.28	S	S	.	.	H	α-helix	trans	-61.7	-46.9	176.4	-167.9	62.4	0	0	0	111.2	L980 K1003 M1004 L1005 I1009 S1010 E1011	L980-L1007 HydrophobicContact CD2-CB 3.97Å; L980-L1007 HydrophobicContact CD2-CD2 3.88Å; L980-L1007 HydrophobicContact CD2-CG 4.02Å; K1003-L1007 WeakPolarHBondContact O-CB 3.48Å; K1003-L1007 PolarHBondContact O-N 3.37Å; M1004-L1007 PolarHBondContact O-N 2.93Å; L1005-L1007 VanDerWaalsContact C-N 3.33Å; L1007-I1009 VanDerWaalsContact C-N 3.34Å; L1007-I1009 PolarHBondContact O-N 3.44Å; L1007-S1010 WeakPolarHBondContact CA-OG 3.25Å; L1007-S1010 PolarHBondContact O-N 2.93Å; L1007-S1010 PolarHBondContact O-OG 2.92Å; L1007-E1011 HydrophobicContact CD1-CG 3.94Å; L1007-E1011 WeakPolarHBondContact CD1-OE1 3.22Å; L1007-E1011 WeakPolarHBondContact CD1-OE2 3.25Å; L1007-E1011 WeakPolarHBondContact O-CB 3.34Å; L1007-E1011 PolarHBondContact O-N 2.89Å
1008	A	82.6	Confident	63.6	Low	5 Å²	5	54.8 Å²	54.8	4%	0.041	30%	0.296	C	S	.	.	H	α-helix	trans	-59.2	-41.2	178	0	0	0	0	0	113.1	F950 L980 P981 M1004 L1005 G1012	F950-A1008 HydrophobicContact CE1-CB 4.29Å; F950-A1008 HydrophobicContact CZ-CB 4.15Å; L980-A1008 HydrophobicContact CD2-CB 4.34Å; P981-A1008 HydrophobicContact CB-CB 4.33Å; P981-A1008 HydrophobicContact CG-CB 4.3Å; M1004-A1008 WeakPolarHBondContact O-CB 3.39Å; M1004-A1008 PolarHBondContact O-N 3.17Å; L1005-A1008 PolarHBondContact O-N 3.34Å; A1008-G1012 WeakPolarHBondContact O-CA 3.21Å; A1008-G1012 PolarHBondContact O-N 3Å
1009	I	85.3	Confident	60.8	Low	5 Å²	5	59.2 Å²	59.2	3%	0.026	32%	0.322	C	S	.	.	H	α-helix	trans	-81.6	-16.9	-180	68.2	172.7	0	0	0	113.7	F939 E943 R946 L947 F950 L1005 K1006 L1007	F939-I1009 HydrophobicContact CD2-CD1 4.22Å; F939-I1009 HydrophobicContact CE2-CD1 3.64Å; F939-I1009 HydrophobicContact CZ-CD1 4.02Å; E943-I1009 HydrophobicContact CB-CD1 4.09Å; E943-I1009 HydrophobicContact CG-CD1 4.49Å; R946-I1009 HydrophobicContact CB-CB 4.3Å; R946-I1009 WeakPolarHBondContact CD-O 3.38Å; L947-I1009 HydrophobicContact CB-CG2 4.09Å; L947-I1009 HydrophobicContact CD1-CG2 3.8Å; F950-I1009 HydrophobicContact CB-CG2 4.29Å; F950-I1009 HydrophobicContact CD1-CG2 4.2Å; F950-I1009 HydrophobicContact CG-CG2 4.38Å; L1005-I1009 WeakPolarHBondContact O-CG1 3.45Å; L1005-I1009 PolarHBondContact O-N 3.07Å; L1005-I1009 VanDerWaalsContact O-N 3.14Å; K1006-I1009 VanDerWaalsContact O-CG1 3.3Å; K1006-I1009 WeakPolarHBondContact O-CG1 3.48Å; K1006-I1009 PolarHBondContact O-N 3Å; L1007-I1009 VanDerWaalsContact C-N 3.34Å; L1007-I1009 PolarHBondContact O-N 3.44Å
1010	S	68.9	Low	60.3	Low	55 Å²	55	56.6 Å²	56.6	39%	0.385	31%	0.312	S	S	.	.	H	α-helix	trans	-86.9	-45.4	173.9	57.8	0	0	0	0	112.1	K1006 L1007 S1013	K1006-S1010 WeakPolarHBondContact O-CB 3.39Å; K1006-S1010 PolarHBondContact O-N 2.96Å; K1006-S1010 PolarHBondContact O-OG 2.96Å; L1007-S1010 WeakPolarHBondContact CA-OG 3.25Å; L1007-S1010 PolarHBondContact O-N 2.93Å; L1007-S1010 PolarHBondContact O-OG 2.92Å; S1010-S1013 PolarHBondContact O-OG 2.99Å; S1010-S1013 VanDerWaalsContact O-OG 3.13Å
1011	E	62.8	Low	59.8	Low	84 Å²	84	57.4 Å²	57.4	39%	0.393	32%	0.319	S	S	.	.	H	α-helix	trans	-95	-28.8	-174.5	-64.3	-177.1	172	0	0	112.7	L1007 S1013 E1014 M1018	L1007-E1011 HydrophobicContact CD1-CG 3.94Å; L1007-E1011 WeakPolarHBondContact CD1-OE1 3.22Å; L1007-E1011 WeakPolarHBondContact CD1-OE2 3.25Å; L1007-E1011 WeakPolarHBondContact O-CB 3.34Å; L1007-E1011 PolarHBondContact O-N 2.89Å; E1011-S1013 PolarHBondContact O-N 2.86Å; E1011-E1014 PolarHBondContact O-N 3.5Å; E1011-E1014 VanDerWaalsContact O-N 3.09Å; E1011-M1018 HydrophobicContact CB-CE 4.02Å; E1011-M1018 HydrophobicContact CG-CE 4.36Å
1012	G	48.5	Very low	58.8	Low	23 Å²	23	60.6 Å²	60.6	24%	0.237	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-66.9	-7.8	178.1	0	0	0	0	0	114.4	A1008	A1008-G1012 WeakPolarHBondContact O-CA 3.21Å; A1008-G1012 PolarHBondContact O-N 3Å
1013	S	40.8	Very low	57.5	Low	27 Å²	27	62.5 Å²	62.5	19%	0.189	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-80	-15.9	173.1	66.8	0	0	0	0	113.9	N894 S1010 E1011 G1015	N894-S1013 PolarHBondContact ND2-O 3.21Å; S1010-S1013 PolarHBondContact O-OG 2.99Å; S1010-S1013 VanDerWaalsContact O-OG 3.13Å; E1011-S1013 PolarHBondContact O-N 2.86Å; S1013-G1015 PolarHBondContact O-N 3.04Å
1014	E	41.9	Very low	56.3	Low	116 Å²	116	58 Å²	58	54%	0.542	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-86.8	13.1	177.2	-61	-165.9	158.4	0	0	113.2	E1011	E1011-E1014 PolarHBondContact O-N 3.5Å; E1011-E1014 VanDerWaalsContact O-N 3.09Å
1015	G	34.2	Very low	54.5	Low	38 Å²	38	59.5 Å²	59.5	39%	0.392	34%	0.344	S	S	.	.			trans	88.3	144.9	-179.3	0	0	0	0	0	112.8	S1013 G1017	S1013-G1015 PolarHBondContact O-N 3.04Å; G1015-G1017 PolarHBondContact O-N 3.28Å
1016	F	32.5	Very low	52.1	Low	98 Å²	98	63.7 Å²	63.7	43%	0.43	37%	0.369	S	S	.	.	S	Bend	trans	-67.3	69	179.1	-64	-83.8	0	0	0	112.1	K793 F950	K793-F1016 PolarHBondContact NZ-O 3.42Å; F950-F1016 HydrophobicContact CE2-CE1 4.19Å; F950-F1016 HydrophobicContact CE2-CZ 4.25Å
1017	G	27.8	Very low	49.8	Very low	62 Å²	62	63.8 Å²	63.8	64%	0.639	38%	0.376	S	S	*	.			trans	-124.4	-5.4	177.8	0	0	0	0	0	114.1	G1015	G1015-G1017 PolarHBondContact O-N 3.28Å
1018	M	23.2	Very low	47.5	Very low	125 Å²	125	64.7 Å²	64.7	62%	0.616	38%	0.384	S	S	*	.			trans	-102.4	76.9	171.1	-67.6	-157.5	-78.9	0	0	110	E1011	E1011-M1018 HydrophobicContact CB-CE 4.02Å; E1011-M1018 HydrophobicContact CG-CE 4.36Å
1019	L	21.3	Very low	44.3	Very low	138 Å²	138	70.1 Å²	70.1	72%	0.723	42%	0.415	S	S	*	.			trans	-126.9	0	156.6	-83.2	173	0	0	0	109.2	S515 L517	S515-L1019 PolarHBondContact OG-O 2.62Å; L517-L1019 HydrophobicContact CD2-CB 4.12Å

Retrieved 1,019 of 1,019 residues in 1080.7 ms (Link to these results)

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