A0A087XW21_POEFO Loading...

ADAM metallopeptidase domain 9b

AlphaFold DB , UniProt , Accession A0A087XW21, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 820 aa.

						>A0A087XW21_POEFO|A0A087XW21
MIIRKPIFIAFILHLCISEIENKEDFSGFTSKLPKYSIVKPQVINNRWTRSLNRTSQTEEAYGDKVSYTLMINNKEHILHLEKNRGFLHPNFVQYSREASGNYNTSYPRQHVNCYYHGSVEGYEGSVVALSTCSGLRGVILLENETFGLEPVPASTTNEHALYLLKDSHSEPVTCGVVGEATSTPNYEPFEPAQSMTSLLRRKRALPQTSYVELVLVVDNLRYNYKQQNETAVREEMVQMANLLDGYYKPLNIRVVLVGLEIFKQSNPFSVDGSAGQVLGEFVKWRKSTLLPKIRHDIGQLIVGRSGSYGGGVLGMAYVGTVCSVASSGGINVYSNDNLNFVSTVVAHEMGHNLGMNHDSSGCTCNGKSCIMSAGAGGAVQFSKCSEQDFESLIVRGGGVCLRNQPSASDVIGTAECGNGRLDKGEECDCGTKEECKNECCDAATCKLTRGSSCAHGYCCEKCQFKVAGTQCRKSLDVCDLPEYCNGKSGFCPQDFYIMDGLPCKNDAAYCYEGRCQTYDYQCLQLFGSGAKKADDICFEYENVKGNVFGNCGITSSGGYIKCTVANAKCGKVQCTNVDLNNHPAGAQISIEIVQGSKCINADFNLGTDVLDPAYVNPGSPCDNGKTCVDFKCVNASVLDPKLGCDAQTTCSGRGVCNDQGHCHCDNGWAPPNCNKAGRGGSIDSGPAMIDYSLRNGLLIFFLLIVPLLVAAILVLLYVFKRDSLDICLKRRKKTRSTGNRNANAPTNGNVQTDVTIQPPRQVPPERPPAPTVTSVPISGFRYGEVDYWSQEANEAPSRPPAPVQGPGVPRPIPVKDISS
					

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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	45	Very low	48.1	Very low	239 Å²	239	145.9 Å²	145.9	100%	1.177	71%	0.713	S	S	*	*				0	161	0	-137.2	165	169.5	0	0	107.7
2	I	46.5	Very low	48.5	Very low	157 Å²	157	140.8 Å²	140.8	81%	0.805	69%	0.69	S	S	*	*			trans	79.2	46.6	178.5	-35.5	158.5	0	0	0	116.9
3	I	44.8	Very low	48.2	Very low	157 Å²	157	137.8 Å²	137.8	81%	0.805	68%	0.678	S	S	*	*	S	Bend	trans	-142.7	52.5	152.1	-41.4	176.6	0	0	0	110.8
4	R	45	Very low	47.8	Very low	221 Å²	221	138.4 Å²	138.4	83%	0.834	68%	0.678	S	S	*	*	S	Bend	trans	-138	-8	172.1	-81.8	-167.2	176.1	179.8	-1.9	115.3
5	K	45.7	Very low	47.3	Very low	163 Å²	163	135.4 Å²	135.4	71%	0.709	67%	0.665	S	S	*	*	H	α-helix	trans	-72.1	-41.3	-179.1	-73.9	-169.9	172	-173.1	0	115.7	F8 I9	K5-F8 PolarHBondContact O-N 2.95Å; K5-I9 VanDerWaalsContact O-CG1 3.31Å; K5-I9 WeakPolarHBondContact O-CG1 3.35Å; K5-I9 PolarHBondContact O-N 3.38Å; K5-I9 VanDerWaalsContact O-N 3.13Å
6	P	48.4	Very low	46.8	Very low	88 Å²	88	130.4 Å²	130.4	57%	0.571	65%	0.647	S	S	*	*	H	α-helix	trans	-71.5	-36.5	-172.6	26.8	-33	0	0	0	112.9	I9 A10	P6-I9 PolarHBondContact O-N 2.97Å; P6-A10 WeakPolarHBondContact O-CB 3.44Å; P6-A10 PolarHBondContact O-N 3.32Å
7	I	50.3	Low	46.6	Very low	125 Å²	125	127.6 Å²	127.6	64%	0.641	63%	0.634	S	S	*	*	H	α-helix	trans	-67.1	-40.8	178.8	-59.3	173	0	0	0	110.8	A10 F11	I7-A10 PolarHBondContact O-N 3.11Å; I7-F11 WeakPolarHBondContact O-CB 3.39Å; I7-F11 PolarHBondContact O-N 2.94Å
8	F	49	Very low	46.2	Very low	148 Å²	148	122.9 Å²	122.9	65%	0.649	62%	0.616	S	S	*	*	H	α-helix	trans	-68.2	-37.2	178.7	-141.3	-93.2	0	0	0	112.1	K5 I12	K5-F8 PolarHBondContact O-N 2.95Å; F8-I12 HydrophobicContact CD1-CD1 3.72Å; F8-I12 HydrophobicContact CD1-CG1 4.39Å; F8-I12 HydrophobicContact CE1-CD1 3.94Å; F8-I12 WeakPolarHBondContact O-CB 3.47Å; F8-I12 WeakPolarHBondContact O-CG1 3.37Å; F8-I12 PolarHBondContact O-N 3.4Å
9	I	54.1	Low	45.7	Very low	102 Å²	102	123.1 Å²	123.1	52%	0.523	61%	0.614	S	S	.	*	H	α-helix	trans	-68.4	-41.1	174.5	-67.7	166.9	0	0	0	110.8	K5 P6 I12 L13	K5-I9 VanDerWaalsContact O-CG1 3.31Å; K5-I9 WeakPolarHBondContact O-CG1 3.35Å; K5-I9 PolarHBondContact O-N 3.38Å; K5-I9 VanDerWaalsContact O-N 3.13Å; P6-I9 PolarHBondContact O-N 2.97Å; I9-I12 PolarHBondContact O-N 3.46Å; I9-L13 HydrophobicContact CG2-CD1 4.18Å; I9-L13 WeakPolarHBondContact O-CB 3.48Å; I9-L13 PolarHBondContact O-N 2.85Å
10	A	51.1	Low	45.4	Very low	60 Å²	60	121.7 Å²	121.7	50%	0.496	61%	0.608	S	S	.	*	H	α-helix	trans	-63.7	-40.8	175.5	0	0	0	0	0	112.3	P6 I7 L13 H14	P6-A10 WeakPolarHBondContact O-CB 3.44Å; P6-A10 PolarHBondContact O-N 3.32Å; I7-A10 PolarHBondContact O-N 3.11Å; A10-L13 PolarHBondContact O-N 3.47Å; A10-H14 WeakPolarHBondContact O-CB 3.31Å; A10-H14 PolarHBondContact O-N 3.2Å
11	F	49.5	Very low	45.1	Very low	145 Å²	145	122 Å²	122	64%	0.636	61%	0.608	S	S	*	*	H	α-helix	trans	-66.6	-40.6	177	-137.1	-90.2	0	0	0	112.1	I7 H14 L15	I7-F11 WeakPolarHBondContact O-CB 3.39Å; I7-F11 PolarHBondContact O-N 2.94Å; F11-H14 PolarHBondContact O-N 2.77Å; F11-L15 HydrophobicContact CD1-CD1 3.95Å; F11-L15 HydrophobicContact CD1-CG 4.45Å; F11-L15 HydrophobicContact CE1-CD1 4.44Å; F11-L15 WeakPolarHBondContact O-CB 3.43Å; F11-L15 WeakPolarHBondContact O-CG 3.31Å; F11-L15 PolarHBondContact O-N 3.11Å
12	I	52.3	Low	44.8	Very low	84 Å²	84	114.2 Å²	114.2	43%	0.431	57%	0.571	S	S	.	*	H	α-helix	trans	-66.6	-41.2	173.4	-70.5	172.1	0	0	0	111	F8 I9 H14 L15 C16	F8-I12 HydrophobicContact CD1-CD1 3.72Å; F8-I12 HydrophobicContact CD1-CG1 4.39Å; F8-I12 HydrophobicContact CE1-CD1 3.94Å; F8-I12 WeakPolarHBondContact O-CB 3.47Å; F8-I12 WeakPolarHBondContact O-CG1 3.37Å; F8-I12 PolarHBondContact O-N 3.4Å; I9-I12 PolarHBondContact O-N 3.46Å; I12-H14 VanDerWaalsContact C-N 3.32Å; I12-H14 PolarHBondContact O-N 3.37Å; I12-L15 PolarHBondContact O-N 3.47Å; I12-C16 VanDerWaalsContact O-CB 3.31Å; I12-C16 WeakPolarHBondContact O-CB 3.23Å; I12-C16 PolarHBondContact O-N 2.86Å; I12-C16 PolarHBondContact O-SG 3.05Å; I12-C16 VanDerWaalsContact O-SG 3.34Å
13	L	45.4	Very low	44.4	Very low	103 Å²	103	114 Å²	114	54%	0.539	56%	0.564	S	S	.	*	H	α-helix	trans	-60.4	-43.6	174.5	-116	81.8	0	0	0	111.3	I9 A10 C16 I17	I9-L13 HydrophobicContact CG2-CD1 4.18Å; I9-L13 WeakPolarHBondContact O-CB 3.48Å; I9-L13 PolarHBondContact O-N 2.85Å; A10-L13 PolarHBondContact O-N 3.47Å; L13-C16 PolarHBondContact O-N 2.69Å; L13-I17 WeakPolarHBondContact O-CB 3.2Å; L13-I17 WeakPolarHBondContact O-CD1 3.17Å; L13-I17 WeakPolarHBondContact O-CG1 3.31Å; L13-I17 PolarHBondContact O-N 2.96Å
14	H	42.1	Very low	44.2	Very low	146 Å²	146	112.9 Å²	112.9	68%	0.676	56%	0.555	S	S	*	*	H	α-helix	trans	-68.1	-39.4	-178.4	-145.5	1.1	0	0	0	111.8	A10 F11 I12 I17 S18	A10-H14 WeakPolarHBondContact O-CB 3.31Å; A10-H14 PolarHBondContact O-N 3.2Å; F11-H14 PolarHBondContact O-N 2.77Å; I12-H14 VanDerWaalsContact C-N 3.32Å; I12-H14 PolarHBondContact O-N 3.37Å; H14-I17 PolarHBondContact O-N 2.88Å; H14-S18 PolarHBondContact O-N 2.93Å; H14-S18 PolarHBondContact O-OG 2.98Å
15	L	40.9	Very low	44.5	Very low	93 Å²	93	106.9 Å²	106.9	49%	0.487	54%	0.54	S	S	.	.	H	α-helix	trans	-62.3	-48.8	171.3	-76	166.1	0	0	0	111.5	F11 I12 I17 S18 E19	F11-L15 HydrophobicContact CD1-CD1 3.95Å; F11-L15 HydrophobicContact CD1-CG 4.45Å; F11-L15 HydrophobicContact CE1-CD1 4.44Å; F11-L15 WeakPolarHBondContact O-CB 3.43Å; F11-L15 WeakPolarHBondContact O-CG 3.31Å; F11-L15 PolarHBondContact O-N 3.11Å; I12-L15 PolarHBondContact O-N 3.47Å; L15-I17 PolarHBondContact O-N 3.15Å; L15-S18 WeakPolarHBondContact CA-OG 3.49Å; L15-S18 PolarHBondContact O-N 3.01Å; L15-S18 PolarHBondContact O-OG 3.25Å; L15-E19 PolarHBondContact O-N 2.85Å
16	C	39.3	Very low	44.6	Very low	56 Å²	56	102.3 Å²	102.3	38%	0.378	52%	0.52	S	S	.	.	H	α-helix	trans	-59.3	-42.4	175.7	-76.7	0	0	0	0	112.7	I12 L13 E19 I20	I12-C16 VanDerWaalsContact O-CB 3.31Å; I12-C16 WeakPolarHBondContact O-CB 3.23Å; I12-C16 PolarHBondContact O-N 2.86Å; I12-C16 PolarHBondContact O-SG 3.05Å; I12-C16 VanDerWaalsContact O-SG 3.34Å; L13-C16 PolarHBondContact O-N 2.69Å; C16-E19 PolarHBondContact O-N 3.19Å; C16-I20 WeakPolarHBondContact O-CB 3.47Å; C16-I20 WeakPolarHBondContact O-CD1 3.44Å; C16-I20 WeakPolarHBondContact O-CG1 3.24Å; C16-I20 PolarHBondContact O-N 3.49Å
17	I	42.6	Very low	44.6	Very low	82 Å²	82	101 Å²	101	42%	0.421	51%	0.513	S	S	.	.	H	α-helix	trans	-62.8	-44.8	176.1	-69.7	161.9	0	0	0	109.9	L13 H14 L15 E19 I20 E21	L13-I17 WeakPolarHBondContact O-CB 3.2Å; L13-I17 WeakPolarHBondContact O-CD1 3.17Å; L13-I17 WeakPolarHBondContact O-CG1 3.31Å; L13-I17 PolarHBondContact O-N 2.96Å; H14-I17 PolarHBondContact O-N 2.88Å; L15-I17 PolarHBondContact O-N 3.15Å; I17-E19 PolarHBondContact O-N 3.1Å; I17-I20 PolarHBondContact O-N 3.31Å; I17-I20 VanDerWaalsContact O-N 3.17Å; I17-E21 PolarHBondContact O-N 2.64Å
18	S	40.3	Very low	44.8	Very low	43 Å²	43	96.5 Å²	96.5	30%	0.301	50%	0.497	S	S	.	.	H	α-helix	trans	-66.7	-33.5	176.5	69.9	0	0	0	0	113.7	H14 L15 I20 N22	H14-S18 PolarHBondContact O-N 2.93Å; H14-S18 PolarHBondContact O-OG 2.98Å; L15-S18 WeakPolarHBondContact CA-OG 3.49Å; L15-S18 PolarHBondContact O-N 3.01Å; L15-S18 PolarHBondContact O-OG 3.25Å; S18-I20 VanDerWaalsContact C-N 3.35Å; S18-N22 VanDerWaalsContact O-CB 3.27Å; S18-N22 WeakPolarHBondContact O-CB 3.43Å; S18-N22 PolarHBondContact O-N 3.43Å; S18-N22 PolarHBondContact O-ND2 2.85Å
19	E	35.8	Very low	44.9	Very low	127 Å²	127	91.2 Å²	91.2	59%	0.593	47%	0.474	S	S	*	.	H	α-helix	trans	-71.3	-29.6	172.3	-82.3	-168.1	128.7	0	0	112.5	L15 C16 I17 K23	L15-E19 PolarHBondContact O-N 2.85Å; C16-E19 PolarHBondContact O-N 3.19Å; I17-E19 PolarHBondContact O-N 3.1Å; E19-K23 VanDerWaalsContact O-CB 3.29Å; E19-K23 WeakPolarHBondContact O-CB 3.23Å; E19-K23 WeakPolarHBondContact O-CG 3.48Å; E19-K23 PolarHBondContact O-N 3.47Å; E19-K23 VanDerWaalsContact O-N 3.08Å
20	I	40	Very low	44.8	Very low	95 Å²	95	87.4 Å²	87.4	49%	0.487	46%	0.455	S	S	.	.	H	α-helix	trans	-75.5	-48.2	176.2	-70.2	163.3	0	0	0	110.2	C16 I17 S18 N22 K23 E24	C16-I20 WeakPolarHBondContact O-CB 3.47Å; C16-I20 WeakPolarHBondContact O-CD1 3.44Å; C16-I20 WeakPolarHBondContact O-CG1 3.24Å; C16-I20 PolarHBondContact O-N 3.49Å; I17-I20 PolarHBondContact O-N 3.31Å; I17-I20 VanDerWaalsContact O-N 3.17Å; S18-I20 VanDerWaalsContact C-N 3.35Å; I20-N22 PolarHBondContact O-N 3.1Å; I20-K23 PolarHBondContact O-N 2.84Å; I20-K23 VanDerWaalsContact O-N 3.12Å; I20-E24 PolarHBondContact O-N 3.24Å
21	E	37.8	Very low	44.9	Very low	129 Å²	129	89.1 Å²	89.1	60%	0.603	46%	0.464	S	S	*	.	H	α-helix	trans	-57.5	-47.9	174.2	-76.9	179.4	135.5	0	0	111.3	I17 K23 E24 D25	I17-E21 PolarHBondContact O-N 2.64Å; E21-K23 VanDerWaalsContact C-N 3.29Å; E21-K23 PolarHBondContact O-N 3.41Å; E21-E24 PolarHBondContact O-N 3.3Å; E21-D25 WeakPolarHBondContact O-CB 3.34Å; E21-D25 PolarHBondContact O-N 3.33Å
22	N	39.2	Very low	45.3	Very low	74 Å²	74	87.3 Å²	87.3	40%	0.396	46%	0.456	S	S	.	.	H	α-helix	trans	-64	-31.4	176.7	-73.8	-44.8	0	0	0	113	S18 I20 F26 A154	S18-N22 VanDerWaalsContact O-CB 3.27Å; S18-N22 WeakPolarHBondContact O-CB 3.43Å; S18-N22 PolarHBondContact O-N 3.43Å; S18-N22 PolarHBondContact O-ND2 2.85Å; I20-N22 PolarHBondContact O-N 3.1Å; N22-F26 WeakPolarHBondContact O-CB 3.47Å; N22-F26 PolarHBondContact O-N 3.31Å; N22-A154 WeakPolarHBondContact OD1-CB 3.27Å
23	K	38.3	Very low	46	Very low	153 Å²	153	84.1 Å²	84.1	67%	0.665	44%	0.439	S	S	*	.	H	α-helix	trans	-72.7	-40.8	173	-93.9	178.6	174.1	167.4	0	112.7	E19 I20 E21 S27	E19-K23 VanDerWaalsContact O-CB 3.29Å; E19-K23 WeakPolarHBondContact O-CB 3.23Å; E19-K23 WeakPolarHBondContact O-CG 3.48Å; E19-K23 PolarHBondContact O-N 3.47Å; E19-K23 VanDerWaalsContact O-N 3.08Å; I20-K23 PolarHBondContact O-N 2.84Å; I20-K23 VanDerWaalsContact O-N 3.12Å; E21-K23 VanDerWaalsContact C-N 3.29Å; E21-K23 PolarHBondContact O-N 3.41Å; K23-S27 WeakPolarHBondContact O-CB 3.5Å; K23-S27 PolarHBondContact O-N 3.29Å; K23-S27 PolarHBondContact O-OG 2.86Å
24	E	41.3	Very low	47	Very low	134 Å²	134	83.5 Å²	83.5	63%	0.626	44%	0.442	S	S	*	.	H	α-helix	trans	-65.5	-46.2	177.4	-72.7	-168.1	174.4	0	0	110.5	I20 E21 S27 G28	I20-E24 PolarHBondContact O-N 3.24Å; E21-E24 PolarHBondContact O-N 3.3Å; E24-S27 WeakPolarHBondContact CA-OG 3.24Å; E24-S27 PolarHBondContact O-N 2.83Å; E24-S27 VanDerWaalsContact O-N 3.16Å; E24-S27 PolarHBondContact O-OG 2.84Å; E24-G28 PolarHBondContact O-N 3.04Å
25	D	50.4	Low	48.9	Very low	94 Å²	94	83.1 Å²	83.1	50%	0.503	44%	0.438	S	S	.	.	H	α-helix	trans	-64.1	-43.5	177.8	-157.8	32.2	0	0	0	111.9	E21 S27 G28 F29 P153	E21-D25 WeakPolarHBondContact O-CB 3.34Å; E21-D25 PolarHBondContact O-N 3.33Å; D25-S27 VanDerWaalsContact C-N 3.35Å; D25-S27 PolarHBondContact O-N 2.89Å; D25-G28 PolarHBondContact O-N 2.87Å; D25-F29 WeakPolarHBondContact O-CB 3.48Å; D25-F29 PolarHBondContact O-N 3Å; D25-P153 WeakPolarHBondContact OD2-CB 3.44Å
26	F	49.3	Very low	51	Low	67 Å²	67	83 Å²	83	29%	0.294	43%	0.432	S	S	.	.	H	α-helix	trans	-65.8	-33.9	172.8	-173	-115.4	0	0	0	113	N22 F29 T30 I38 V152	N22-F26 WeakPolarHBondContact O-CB 3.47Å; N22-F26 PolarHBondContact O-N 3.31Å; F26-F29 HydrophobicContact CD2-CD1 4.27Å; F26-F29 HydrophobicContact CE2-CD1 4.37Å; F26-F29 PolarHBondContact O-N 3.28Å; F26-T30 HydrophobicContact CD1-CG2 4.27Å; F26-T30 HydrophobicContact CD2-CG2 3.96Å; F26-T30 HydrophobicContact CE1-CG2 3.87Å; F26-T30 HydrophobicContact CE2-CG2 3.54Å; F26-T30 HydrophobicContact CG-CG2 4.32Å; F26-T30 HydrophobicContact CZ-CG2 3.5Å; F26-T30 WeakPolarHBondContact O-CB 3.5Å; F26-T30 WeakPolarHBondContact O-CG2 3.42Å; F26-T30 PolarHBondContact O-N 3.41Å; F26-T30 PolarHBondContact O-OG1 2.93Å; F26-I38 HydrophobicContact CZ-CD1 4.39Å; F26-V152 HydrophobicContact CD2-CG1 3.61Å; F26-V152 HydrophobicContact CE2-CB 4.49Å; F26-V152 HydrophobicContact CE2-CG1 3.57Å; F26-V152 HydrophobicContact CE2-CG2 4.14Å
27	S	47.9	Very low	53.4	Low	62 Å²	62	83.1 Å²	83.1	43%	0.434	43%	0.433	S	S	.	.	H	α-helix	trans	-71	-36.9	174.8	77.9	0	0	0	0	112.2	K23 E24 D25 F29 S31	K23-S27 WeakPolarHBondContact O-CB 3.5Å; K23-S27 PolarHBondContact O-N 3.29Å; K23-S27 PolarHBondContact O-OG 2.86Å; E24-S27 WeakPolarHBondContact CA-OG 3.24Å; E24-S27 PolarHBondContact O-N 2.83Å; E24-S27 VanDerWaalsContact O-N 3.16Å; E24-S27 PolarHBondContact O-OG 2.84Å; D25-S27 VanDerWaalsContact C-N 3.35Å; D25-S27 PolarHBondContact O-N 2.89Å; S27-F29 VanDerWaalsContact C-N 3.32Å; S27-S31 WeakPolarHBondContact O-CB 3.35Å; S27-S31 PolarHBondContact O-N 3.48Å; S27-S31 PolarHBondContact O-OG 3.01Å
28	G	53.3	Low	55.6	Low	29 Å²	29	82.6 Å²	82.6	30%	0.299	43%	0.43	S	S	.	.	H	α-helix	trans	-70.2	-27.4	173.8	0	0	0	0	0	113.2	E24 D25 S31 K32	E24-G28 PolarHBondContact O-N 3.04Å; D25-G28 PolarHBondContact O-N 2.87Å; G28-S31 PolarHBondContact O-OG 2.88Å; G28-K32 WeakPolarHBondContact O-CD 3.45Å; G28-K32 WeakPolarHBondContact O-CE 3.24Å
29	F	52.4	Low	58.1	Low	37 Å²	37	81 Å²	81	16%	0.162	42%	0.419	C	S	.	.	H	α-helix	trans	-75.6	-48.4	171.5	-179.5	-105.8	0	0	0	112.2	D25 F26 S27 E150 P151 V152 P153 A161	D25-F29 WeakPolarHBondContact O-CB 3.48Å; D25-F29 PolarHBondContact O-N 3Å; F26-F29 HydrophobicContact CD2-CD1 4.27Å; F26-F29 HydrophobicContact CE2-CD1 4.37Å; F26-F29 PolarHBondContact O-N 3.28Å; S27-F29 VanDerWaalsContact C-N 3.32Å; F29-E150 HydrophobicContact CE2-CB 4.18Å; F29-E150 HydrophobicContact CZ-CB 3.77Å; F29-P151 WeakPolarHBondContact CZ-O 3.47Å; F29-V152 HydrophobicContact CE1-CG2 4.49Å; F29-P153 HydrophobicContact CB-CG 3.97Å; F29-P153 HydrophobicContact CD1-CG 4.32Å; F29-P153 HydrophobicContact CD2-CG 3.81Å; F29-P153 HydrophobicContact CE2-CG 4.34Å; F29-P153 HydrophobicContact CG-CG 3.8Å; F29-A161 HydrophobicContact CE1-CB 3.79Å; F29-A161 HydrophobicContact CZ-CB 4.11Å
30	T	50.8	Low	60.7	Low	22 Å²	22	79.7 Å²	79.7	14%	0.135	41%	0.411	C	S	.	.	H	α-helix	trans	-82.1	-25.7	-174.5	54.7	0	0	0	0	114.6	F26 K32 L33 Y36	F26-T30 HydrophobicContact CD1-CG2 4.27Å; F26-T30 HydrophobicContact CD2-CG2 3.96Å; F26-T30 HydrophobicContact CE1-CG2 3.87Å; F26-T30 HydrophobicContact CE2-CG2 3.54Å; F26-T30 HydrophobicContact CG-CG2 4.32Å; F26-T30 HydrophobicContact CZ-CG2 3.5Å; F26-T30 WeakPolarHBondContact O-CB 3.5Å; F26-T30 WeakPolarHBondContact O-CG2 3.42Å; F26-T30 PolarHBondContact O-N 3.41Å; F26-T30 PolarHBondContact O-OG1 2.93Å; T30-K32 PolarHBondContact O-N 2.87Å; T30-K32 VanDerWaalsContact O-N 3.13Å; T30-L33 PolarHBondContact O-N 3.23Å; T30-L33 VanDerWaalsContact O-N 3.08Å; T30-Y36 HydrophobicContact CG2-CE1 3.76Å; T30-Y36 HydrophobicContact CG2-CE2 4.06Å; T30-Y36 VanDerWaalsContact CG2-CZ 3.47Å; T30-Y36 WeakPolarHBondContact CG2-OH 3.39Å
31	S	52.9	Low	63.1	Low	97 Å²	97	75.5 Å²	75.5	68%	0.678	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-16.5	173.2	52.9	0	0	0	0	114	S27 G28	S27-S31 WeakPolarHBondContact O-CB 3.35Å; S27-S31 PolarHBondContact O-N 3.48Å; S27-S31 PolarHBondContact O-OG 3.01Å; G28-S31 PolarHBondContact O-OG 2.88Å
32	K	58.6	Low	65.5	Low	107 Å²	107	75.5 Å²	75.5	47%	0.465	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-9.2	176.9	-60.4	171.9	-175.7	169.7	0	113.7	G28 T30 D337	G28-K32 WeakPolarHBondContact O-CD 3.45Å; G28-K32 WeakPolarHBondContact O-CE 3.24Å; T30-K32 PolarHBondContact O-N 2.87Å; T30-K32 VanDerWaalsContact O-N 3.13Å; K32-D337 IonicContact NZ-OD2 3.08Å
33	L	67.4	Low	67.8	Low	16 Å²	16	75.2 Å²	75.2	8%	0.084	39%	0.391	C	S	.	.			trans	-120	101.9	-178.3	-68.6	176.5	0	0	0	110	T30 K35 Y36 A161 Y163	T30-L33 PolarHBondContact O-N 3.23Å; T30-L33 VanDerWaalsContact O-N 3.08Å; L33-K35 PolarHBondContact O-N 2.85Å; L33-Y36 HydrophobicContact CB-CD1 4.07Å; L33-A161 HydrophobicContact CD1-CB 4.35Å; L33-Y163 HydrophobicContact CD1-CD1 3.65Å; L33-Y163 HydrophobicContact CD1-CE1 4.02Å; L33-Y163 HydrophobicContact CD1-CG 4.05Å; L33-Y163 HydrophobicContact CD2-CD1 4.05Å; L33-Y163 HydrophobicContact CD2-CD2 3.7Å; L33-Y163 HydrophobicContact CD2-CE1 4.24Å; L33-Y163 HydrophobicContact CD2-CE2 3.87Å; L33-Y163 HydrophobicContact CD2-CG 3.77Å
34	P	66	Low	70.1	Confident	91 Å²	91	70.5 Å²	70.5	59%	0.591	37%	0.372	S	S	*	.	S	Bend	trans	-68.1	-20.5	-173.7	27.6	-35	0	0	0	113.4	D167	P34-D167 VanDerWaalsContact CD-O 3.23Å; P34-D167 WeakPolarHBondContact CD-O 3.44Å; P34-D167 WeakPolarHBondContact CG-O 3.2Å
35	K	81.4	Confident	71.2	Confident	138 Å²	138	69.4 Å²	69.4	60%	0.6	37%	0.371	S	S	*	.	S	Bend	trans	-143.8	129.4	168.6	-62.7	-178.3	-160.1	145.4	0	110.3	L33 Y163 D167	L33-K35 PolarHBondContact O-N 2.85Å; K35-Y163 WeakPolarHBondContact O-CB 3.41Å; K35-D167 WeakPolarHBondContact CD-OD2 3.16Å; K35-D167 IonicContact NZ-OD2 3.7Å; K35-D167 PolarHBondContact NZ-OD2 2.9Å
36	Y	86.8	Confident	71.1	Confident	91 Å²	91	70.4 Å²	70.4	36%	0.357	38%	0.376	S	S	.	.			trans	-149.3	165.8	172.5	65.8	-87.3	0	0	0	110	T30 L33 I38 A161 L162	T30-Y36 HydrophobicContact CG2-CE1 3.76Å; T30-Y36 HydrophobicContact CG2-CE2 4.06Å; T30-Y36 VanDerWaalsContact CG2-CZ 3.47Å; T30-Y36 WeakPolarHBondContact CG2-OH 3.39Å; L33-Y36 HydrophobicContact CB-CD1 4.07Å; Y36-I38 HydrophobicContact CD2-CD1 3.8Å; Y36-I38 HydrophobicContact CD2-CG1 4.28Å; Y36-I38 HydrophobicContact CE2-CD1 3.69Å; Y36-I38 HydrophobicContact CE2-CG1 3.99Å; Y36-A161 HydrophobicContact CD2-CB 4.49Å; Y36-L162 CarbonylContact C-O 3.52Å; Y36-L162 WeakPolarHBondContact CA-O 3.45Å
37	S	89.2	Confident	70.6	Confident	57 Å²	57	78 Å²	78	40%	0.399	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	147.5	169.2	57.7	0	0	0	0	109	L162	S37-L162 PolarHBondContact N-O 3.34Å; S37-L162 PolarHBondContact O-N 3.32Å; S37-L162 PolarHBondContact OG-O 2.87Å
38	I	89.3	Confident	70	Confident	71 Å²	71	86.4 Å²	86.4	36%	0.364	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	124.4	174.5	-60.4	-57	0	0	0	109	F26 Y36 V152 E159 H160 A161	F26-I38 HydrophobicContact CZ-CD1 4.39Å; Y36-I38 HydrophobicContact CD2-CD1 3.8Å; Y36-I38 HydrophobicContact CD2-CG1 4.28Å; Y36-I38 HydrophobicContact CE2-CD1 3.69Å; Y36-I38 HydrophobicContact CE2-CG1 3.99Å; I38-V152 HydrophobicContact CD1-CG2 3.88Å; I38-E159 HydrophobicContact CG2-CB 3.88Å; I38-E159 HydrophobicContact CG2-CG 3.82Å; I38-H160 WeakPolarHBondContact CA-O 2.88Å; I38-A161 HydrophobicContact CD1-CB 4.36Å
39	V	91.5	Very high	68.9	Low	10 Å²	10	91.3 Å²	91.3	6%	0.061	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	156.6	-177.5	-59.7	0	0	0	0	110.1	L70 M71 L149 H160 L162	V39-L70 HydrophobicContact CB-CD1 3.94Å; V39-L70 HydrophobicContact CG2-CD1 3.59Å; V39-M71 WeakPolarHBondContact CG1-O 3.48Å; V39-L149 HydrophobicContact CG2-CD1 3.86Å; V39-H160 HydrophobicContact CG2-CB 3.96Å; V39-H160 PolarHBondContact N-O 3.2Å; V39-H160 PolarHBondContact O-N 3.39Å; V39-L162 HydrophobicContact CG1-CB 3.98Å; V39-L162 HydrophobicContact CG1-CD2 4.05Å; V39-L162 HydrophobicContact CG2-CB 3.87Å
40	K	90.3	Very high	68	Low	100 Å²	100	101.8 Å²	101.8	44%	0.435	49%	0.488	S	S	.	.			trans	-125.5	92.7	178.1	-59	-166.4	-168.3	-145.4	0	109.1	Q42 T157 E159	K40-Q42 PolarHBondContact O-N 3.27Å; K40-T157 PolarHBondContact NZ-OG1 2.85Å; K40-E159 HydrophobicContact CD-CG 4.06Å; K40-E159 VanDerWaalsContact CE-CG 3.4Å; K40-E159 WeakPolarHBondContact CE-OE1 3.33Å; K40-E159 HydrophobicContact CG-CG 3.96Å; K40-E159 VanDerWaalsContact NZ-CD 3.32Å; K40-E159 IonicContact NZ-OE1 3.82Å; K40-E159 PolarHBondContact NZ-OE1 2.9Å
41	P	90.5	Very high	67.2	Low	6 Å²	6	105.3 Å²	105.3	4%	0.039	51%	0.514	C	S	.	.			trans	-61.7	133.8	178	-14.6	26	0	0	0	110.6	Y68 T69 L70 L136 N158 H160	P41-Y68 HydrophobicContact CB-CD1 3.96Å; P41-T69 WeakPolarHBondContact CA-O 3.29Å; P41-L70 HydrophobicContact CB-CD1 3.99Å; P41-L70 HydrophobicContact CG-CD1 3.7Å; P41-L136 HydrophobicContact CB-CD1 3.47Å; P41-L136 VanDerWaalsContact CB-CD1 3.47Å; P41-L136 HydrophobicContact CG-CD1 3.72Å; P41-N158 PolarHBondContact O-ND2 3.42Å; P41-H160 WeakPolarHBondContact CD-ND1 3.3Å; P41-H160 HydrophobicContact CG-CB 4.44Å; P41-H160 WeakPolarHBondContact CG-ND1 3.41Å
42	Q	89.3	Confident	66.4	Low	130 Å²	130	108.7 Å²	108.7	61%	0.607	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	131	177.6	-53	-167.8	8.3	0	0	111.5	K40 I44 Y68 T69	K40-Q42 PolarHBondContact O-N 3.27Å; Q42-I44 PolarHBondContact O-N 3.17Å; Q42-Y68 CarbonylContact O-C 3.48Å; Q42-Y68 WeakPolarHBondContact O-CA 3.27Å; Q42-T69 PolarHBondContact N-O 3.28Å; Q42-T69 VanDerWaalsContact N-O 3.09Å; Q42-T69 PolarHBondContact O-N 3.02Å
43	V	87.8	Confident	65.1	Low	67 Å²	67	110.2 Å²	110.2	41%	0.406	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	124.7	177	179.8	0	0	0	0	110.4	N45 V66 Y68	V43-N45 PolarHBondContact O-N 2.85Å; V43-V66 HydrophobicContact CG1-CG2 4.06Å; V43-Y68 HydrophobicContact CB-CE1 4.4Å; V43-Y68 HydrophobicContact CG2-CD1 3.95Å; V43-Y68 HydrophobicContact CG2-CE1 3.32Å
44	I	86.1	Confident	63.4	Low	54 Å²	54	121.7 Å²	121.7	28%	0.277	58%	0.579	S	S	.	*			trans	-82.4	100.8	171.8	-53.3	176.3	0	0	0	108.6	Q42 N46 S67 T69 I78	Q42-I44 PolarHBondContact O-N 3.17Å; I44-N46 PolarHBondContact O-N 3.2Å; I44-S67 PolarHBondContact N-O 3.3Å; I44-T69 HydrophobicContact CD1-CG2 3.7Å; I44-T69 HydrophobicContact CG1-CG2 3.87Å; I44-I78 HydrophobicContact CD1-CB 4.39Å; I44-I78 HydrophobicContact CD1-CD1 4.22Å; I44-I78 HydrophobicContact CD1-CG1 3.95Å; I44-I78 HydrophobicContact CD1-CG2 3.67Å
45	N	63.8	Low	61.7	Low	112 Å²	112	123 Å²	123	60%	0.599	59%	0.585	S	S	*	*			trans	-83.5	106.5	174.2	-78.5	-49.4	0	0	0	110.8	V43 R47	V43-N45 PolarHBondContact O-N 2.85Å; N45-R47 VanDerWaalsContact C-N 3.27Å; N45-R47 PolarHBondContact O-N 2.88Å
46	N	47.8	Very low	59.4	Low	114 Å²	114	122.5 Å²	122.5	61%	0.61	60%	0.599	S	S	*	*			trans	-67.4	72.9	179.2	-80.9	-12.9	0	0	0	114	I44 W48	I44-N46 PolarHBondContact O-N 3.2Å; N46-W48 PolarHBondContact O-N 2.76Å
47	R	39.4	Very low	56.6	Low	228 Å²	228	127.2 Å²	127.2	86%	0.86	62%	0.624	S	S	*	*			trans	-75.8	55.9	170.5	-86.5	-170.8	172.5	175.5	1.5	113	N45	N45-R47 VanDerWaalsContact C-N 3.27Å; N45-R47 PolarHBondContact O-N 2.88Å
48	W	36.1	Very low	53.7	Low	237 Å²	237	129.4 Å²	129.4	90%	0.898	64%	0.635	S	S	*	*			trans	-132.4	69.5	174.8	-82.1	101.2	0	0	0	113.7	N46	N46-W48 PolarHBondContact O-N 2.76Å
49	T	30.6	Very low	50.8	Low	132 Å²	132	135.2 Å²	135.2	81%	0.81	66%	0.661	S	S	*	*			trans	-167.9	103.7	131	25.2	0	0	0	0	109.6	S51	T49-S51 PolarHBondContact O-N 2.03Å
50	R	33.2	Very low	48.1	Very low	257 Å²	257	141.7 Å²	141.7	97%	0.97	69%	0.69	S	S	*	*			trans	-76.5	73.5	160.3	-88.1	-172.9	172.7	-179.6	-1	109.2	L52	R50-L52 PolarHBondContact O-N 3.23Å
51	S	33	Very low	45.3	Very low	97 Å²	97	141.3 Å²	141.3	68%	0.678	71%	0.706	S	S	*	*			trans	-75.3	111.3	161.5	-175.3	0	0	0	0	108.2	T49 N53	T49-S51 PolarHBondContact O-N 2.03Å; S51-N53 PolarHBondContact O-N 2.97Å
52	L	36.8	Very low	42.8	Very low	167 Å²	167	148.4 Å²	148.4	87%	0.874	73%	0.733	S	S	*	*			trans	-74.1	77.8	172.5	-89.8	159.2	0	0	0	109.6	R50	R50-L52 PolarHBondContact O-N 3.23Å
53	N	30.3	Very low	41.2	Very low	140 Å²	140	143.6 Å²	143.6	75%	0.749	72%	0.718	S	S	*	*			trans	-155.6	103.6	156.7	-97.3	-31.1	0	0	0	110.8	S51 T55	S51-N53 PolarHBondContact O-N 2.97Å; N53-T55 PolarHBondContact O-N 3.43Å; N53-T55 VanDerWaalsContact O-N 3.11Å
54	R	33.3	Very low	40.4	Very low	257 Å²	257	142.1 Å²	142.1	97%	0.97	71%	0.708	S	S	*	*			trans	-80	88.3	178.3	177.4	-180	155.6	-170.2	-6.3	109.7
55	T	29.4	Very low	40.3	Very low	118 Å²	118	145.7 Å²	145.7	72%	0.724	72%	0.722	S	S	*	*			trans	-122.4	135.7	160	22.1	0	0	0	0	108.7	N53 Q57	N53-T55 PolarHBondContact O-N 3.43Å; N53-T55 VanDerWaalsContact O-N 3.11Å; T55-Q57 PolarHBondContact O-N 3.44Å
56	S	33.3	Very low	41.5	Very low	128 Å²	128	141.7 Å²	141.7	90%	0.895	70%	0.701	S	S	*	*			trans	-63.3	90.2	-165.7	-46	0	0	0	0	113.3
57	Q	27.6	Very low	43.6	Very low	190 Å²	190	137.1 Å²	137.1	89%	0.888	68%	0.678	S	S	*	*			trans	-79.6	130.9	159.1	-72.8	-177	-24	0	0	108.3	T55	T55-Q57 PolarHBondContact O-N 3.44Å
58	T	28.5	Very low	46.1	Very low	103 Å²	103	127.6 Å²	127.6	63%	0.632	64%	0.643	S	S	*	*			trans	-67.1	149.1	-177.5	40.2	0	0	0	0	111.6	E60	T58-E60 PolarHBondContact O-N 2.95Å
59	E	29.2	Very low	48.8	Very low	192 Å²	192	117.3 Å²	117.3	90%	0.897	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-67.2	-2.8	-175.1	-62.4	-178.1	135.4	0	0	114.2
60	E	33.2	Very low	51.8	Low	146 Å²	146	111.1 Å²	111.1	68%	0.682	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-72.6	-32.1	-174.6	-66.5	176.4	126.8	0	0	113.7	T58 Y62 G63	T58-E60 PolarHBondContact O-N 2.95Å; E60-Y62 VanDerWaalsContact C-N 3.3Å; E60-Y62 PolarHBondContact O-N 3Å; E60-G63 PolarHBondContact O-N 3.1Å
61	A	32.6	Very low	54.6	Low	92 Å²	92	102.9 Å²	102.9	76%	0.76	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-72.7	-17.8	-173.1	0	0	0	0	0	114.6	G63	A61-G63 VanDerWaalsContact C-N 3.31Å
62	Y	37.9	Very low	57.3	Low	155 Å²	155	98.3 Å²	98.3	61%	0.608	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-87.5	-1.4	-178	-148.9	-92.1	0	0	0	112.8	E60	E60-Y62 VanDerWaalsContact C-N 3.3Å; E60-Y62 PolarHBondContact O-N 3Å
63	G	55.6	Low	59.7	Low	29 Å²	29	96 Å²	96	30%	0.299	50%	0.498	S	S	.	.	S	Bend	trans	-91.6	-13.6	-170.3	0	0	0	0	0	116.3	E60 A61 K83	E60-G63 PolarHBondContact O-N 3.1Å; A61-G63 VanDerWaalsContact C-N 3.31Å; G63-K83 WeakPolarHBondContact O-CE 3.47Å; G63-K83 PolarHBondContact O-NZ 3.47Å
64	D	69.9	Low	62.3	Low	37 Å²	37	97 Å²	97	20%	0.198	50%	0.503	C	S	.	.	S	Bend	trans	-97.1	-27.6	-160.4	-72.6	-8.5	0	0	0	115.4	K83 R85 T414	D64-K83 PolarHBondContact O-N 2.82Å; D64-R85 IonicContact OD1-CZ 3.21Å; D64-R85 IonicContact OD1-NE 2.65Å; D64-R85 IonicContact OD1-NH2 2.99Å; D64-R85 PolarHBondContact OD1-NH2 2.95Å; D64-R85 IonicContact OD2-NH2 3.26Å; D64-T414 WeakPolarHBondContact OD2-CB 3.32Å; D64-T414 PolarHBondContact OD2-OG1 3.07Å
65	K	84.1	Confident	65	Low	128 Å²	128	89.8 Å²	89.8	56%	0.557	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.2	177.2	-54.9	-171.2	-162.4	-147.4	0	108.6	L81 E82 E416	K65-L81 CarbonylContact C-O 3.34Å; K65-L81 VanDerWaalsContact CA-O 3.3Å; K65-L81 WeakPolarHBondContact CA-O 3.14Å; K65-E82 WeakPolarHBondContact CD-OE1 3.35Å; K65-E82 WeakPolarHBondContact CE-OE1 3.21Å; K65-E82 IonicContact NZ-OE1 3.67Å; K65-E82 PolarHBondContact NZ-OE1 2.89Å; K65-E416 WeakPolarHBondContact CE-OE1 3.26Å; K65-E416 IonicContact NZ-OE1 2.72Å; K65-E416 PolarHBondContact NZ-OE1 3.4Å
66	V	89.1	Confident	68	Low	28 Å²	28	89.8 Å²	89.8	17%	0.17	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	150.3	178.5	64.7	0	0	0	0	108.2	V43 Y68 L81 Y116	V43-V66 HydrophobicContact CG1-CG2 4.06Å; V66-Y68 HydrophobicContact CB-CE2 4.43Å; V66-Y68 HydrophobicContact CG1-CD2 4.37Å; V66-Y68 HydrophobicContact CG1-CE2 3.83Å; V66-Y68 HydrophobicContact CG2-CD2 4.22Å; V66-Y68 HydrophobicContact CG2-CE2 3.69Å; V66-L81 HydrophobicContact CG1-CB 3.79Å; V66-L81 HydrophobicContact CG1-CD1 4.24Å; V66-L81 PolarHBondContact N-O 3.17Å; V66-L81 WeakPolarHBondContact O-CA 3.33Å; V66-L81 WeakPolarHBondContact O-CB 3.49Å; V66-L81 PolarHBondContact O-N 3.25Å; V66-L81 VanDerWaalsContact O-O 3.07Å; V66-Y116 HydrophobicContact CG1-CD1 3.97Å; V66-Y116 HydrophobicContact CG1-CE1 3.62Å
67	S	92.6	Very high	71	Confident	18 Å²	18	84.2 Å²	84.2	13%	0.126	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	144.3	173.2	-61.5	0	0	0	0	110.7	I44 L79 H80	I44-S67 PolarHBondContact N-O 3.3Å; S67-L79 CarbonylContact C-O 3.59Å; S67-L79 WeakPolarHBondContact CA-O 3Å; S67-L79 WeakPolarHBondContact CB-O 3.35Å; S67-H80 PolarHBondContact OG-ND1 2.03Å
68	Y	92.6	Very high	74.1	Confident	29 Å²	29	77.4 Å²	77.4	11%	0.114	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	135.7	-179.5	-74.3	-94.4	0	0	0	110.1	P41 Q42 V43 V66 I78 L79 L81 T132 L136	P41-Y68 HydrophobicContact CB-CD1 3.96Å; Q42-Y68 CarbonylContact O-C 3.48Å; Q42-Y68 WeakPolarHBondContact O-CA 3.27Å; V43-Y68 HydrophobicContact CB-CE1 4.4Å; V43-Y68 HydrophobicContact CG2-CD1 3.95Å; V43-Y68 HydrophobicContact CG2-CE1 3.32Å; V66-Y68 HydrophobicContact CB-CE2 4.43Å; V66-Y68 HydrophobicContact CG1-CD2 4.37Å; V66-Y68 HydrophobicContact CG1-CE2 3.83Å; V66-Y68 HydrophobicContact CG2-CD2 4.22Å; V66-Y68 HydrophobicContact CG2-CE2 3.69Å; Y68-I78 WeakPolarHBondContact O-CA 3.39Å; Y68-L79 PolarHBondContact N-O 3.01Å; Y68-L79 PolarHBondContact O-N 3.13Å; Y68-L81 HydrophobicContact CD2-CD1 3.67Å; Y68-L81 HydrophobicContact CD2-CG 4.5Å; Y68-L81 HydrophobicContact CE2-CD1 3.93Å; Y68-T132 HydrophobicContact CE2-CG2 4.47Å; Y68-L136 HydrophobicContact CD1-CD1 3.64Å; Y68-L136 HydrophobicContact CD2-CD1 4.33Å; Y68-L136 HydrophobicContact CE1-CD1 3.59Å; Y68-L136 HydrophobicContact CE1-CG 4.28Å; Y68-L136 HydrophobicContact CE2-CD1 4.3Å; Y68-L136 HydrophobicContact CE2-CD2 4.17Å; Y68-L136 HydrophobicContact CG-CD1 4.01Å
69	T	93.1	Very high	77.3	Confident	20 Å²	20	72.5 Å²	72.5	12%	0.123	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	139.4	158.9	64.1	0	0	0	0	109.6	P41 Q42 I44 E76 H77 I78	P41-T69 WeakPolarHBondContact CA-O 3.29Å; Q42-T69 PolarHBondContact N-O 3.28Å; Q42-T69 VanDerWaalsContact N-O 3.09Å; Q42-T69 PolarHBondContact O-N 3.02Å; I44-T69 HydrophobicContact CD1-CG2 3.7Å; I44-T69 HydrophobicContact CG1-CG2 3.87Å; T69-E76 WeakPolarHBondContact CB-OE1 3.16Å; T69-E76 HydrophobicContact CG2-CG 4.3Å; T69-E76 PolarHBondContact OG1-OE1 2.03Å; T69-H77 CarbonylContact C-O 3.26Å; T69-H77 WeakPolarHBondContact CA-O 3.14Å; T69-I78 HydrophobicContact CG2-CG1 4.22Å
70	L	92.7	Very high	80.3	Confident	2 Å²	2	66.9 Å²	66.9	1%	0.01	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	135.2	176	-166.8	62.4	0	0	0	110.2	V39 P41 I72 H77 L79 I140 L149 L162	V39-L70 HydrophobicContact CB-CD1 3.94Å; V39-L70 HydrophobicContact CG2-CD1 3.59Å; P41-L70 HydrophobicContact CB-CD1 3.99Å; P41-L70 HydrophobicContact CG-CD1 3.7Å; L70-I72 HydrophobicContact CD2-CD1 4.21Å; L70-I72 HydrophobicContact CD2-CG1 4.23Å; L70-I72 HydrophobicContact CG-CG1 4.24Å; L70-H77 PolarHBondContact N-O 3.4Å; L70-H77 PolarHBondContact O-N 2.03Å; L70-L79 HydrophobicContact CB-CD1 4.25Å; L70-L79 HydrophobicContact CB-CG 4.46Å; L70-L79 HydrophobicContact CD2-CD1 4.03Å; L70-I140 HydrophobicContact CD2-CD1 3.51Å; L70-L149 HydrophobicContact CD2-CD1 4.44Å; L70-L149 HydrophobicContact CD2-CD2 4.35Å; L70-L162 HydrophobicContact CD2-CD1 4.46Å
71	M	91.1	Very high	83	Confident	85 Å²	85	60.1 Å²	60.1	42%	0.419	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	118.9	172.6	-68.1	-62.1	-63.8	0	0	109.8	V39 N74 K75 E76	V39-M71 WeakPolarHBondContact CG1-O 3.48Å; M71-N74 VanDerWaalsContact CE-C 3.44Å; M71-N74 WeakPolarHBondContact CE-O 3.48Å; M71-K75 CarbonylContact C-O 3.26Å; M71-K75 WeakPolarHBondContact CA-O 3.37Å; M71-E76 HydrophobicContact SD-CB 3.74Å; M71-E76 HydrophobicContact SD-CG 4.32Å
72	I	90.3	Very high	85.7	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.1	173.5	-52.6	-179.5	0	0	0	107	L70 N74 K75 I140 L142 F147 L162	L70-I72 HydrophobicContact CD2-CD1 4.21Å; L70-I72 HydrophobicContact CD2-CG1 4.23Å; L70-I72 HydrophobicContact CG-CG1 4.24Å; I72-N74 PolarHBondContact O-N 2.91Å; I72-N74 VanDerWaalsContact O-N 3.11Å; I72-K75 PolarHBondContact N-O 3.34Å; I72-K75 PolarHBondContact O-N 3.26Å; I72-K75 VanDerWaalsContact O-O 3.06Å; I72-I140 HydrophobicContact CD1-CG2 4.2Å; I72-L142 HydrophobicContact CB-CD2 4.3Å; I72-L142 HydrophobicContact CD1-CD2 4.07Å; I72-L142 HydrophobicContact CG2-CD2 4.01Å; I72-F147 HydrophobicContact CG2-CD1 4.36Å; I72-F147 HydrophobicContact CG2-CD2 4.45Å; I72-F147 HydrophobicContact CG2-CE1 3.94Å; I72-F147 HydrophobicContact CG2-CE2 4.05Å; I72-F147 HydrophobicContact CG2-CZ 3.79Å; I72-L162 HydrophobicContact CB-CD2 4.32Å; I72-L162 HydrophobicContact CG1-CD2 3.91Å; I72-L162 HydrophobicContact CG2-CD2 4.24Å
73	N	86.9	Confident	88	Confident	117 Å²	117	53.2 Å²	53.2	63%	0.626	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	39.1	-179.7	-65	-19.3	0	0	0	114.3	K75	N73-K75 PolarHBondContact O-N 2.82Å
74	N	84.9	Confident	89.4	Confident	161 Å²	161	52.3 Å²	52.3	86%	0.861	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	16.3	-175.1	-60.1	-26.8	0	0	0	115.9	M71 I72	M71-N74 VanDerWaalsContact CE-C 3.44Å; M71-N74 WeakPolarHBondContact CE-O 3.48Å; I72-N74 PolarHBondContact O-N 2.91Å; I72-N74 VanDerWaalsContact O-N 3.11Å
75	K	91	Very high	89.4	Confident	107 Å²	107	52.2 Å²	52.2	47%	0.465	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	144.5	171.5	-176.2	178.2	172.9	-172.3	0	109.8	M71 I72 N73 H77 Y123	M71-K75 CarbonylContact C-O 3.26Å; M71-K75 WeakPolarHBondContact CA-O 3.37Å; I72-K75 PolarHBondContact N-O 3.34Å; I72-K75 PolarHBondContact O-N 3.26Å; I72-K75 VanDerWaalsContact O-O 3.06Å; N73-K75 PolarHBondContact O-N 2.82Å; K75-H77 PolarHBondContact O-CD2 2.79Å; K75-Y123 PolarHBondContact NZ-OH 2.77Å
76	E	92.8	Very high	88.7	Confident	118 Å²	118	46.5 Å²	46.5	55%	0.551	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	131.6	171.1	-170.7	169.8	-128.4	0	0	109.8	T69 M71	T69-E76 WeakPolarHBondContact CB-OE1 3.16Å; T69-E76 HydrophobicContact CG2-CG 4.3Å; T69-E76 PolarHBondContact OG1-OE1 2.03Å; M71-E76 HydrophobicContact SD-CB 3.74Å; M71-E76 HydrophobicContact SD-CG 4.32Å
77	H	94.4	Very high	88.4	Confident	10 Å²	10	45.2 Å²	45.2	5%	0.046	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	142.1	176.4	-70	-95.4	0	0	0	109.6	T69 L70 K75 V120 Y123 L142	T69-H77 CarbonylContact C-O 3.26Å; T69-H77 WeakPolarHBondContact CA-O 3.14Å; L70-H77 PolarHBondContact N-O 3.4Å; L70-H77 PolarHBondContact O-N 2.03Å; K75-H77 PolarHBondContact O-CD2 2.79Å; H77-V120 HydrophobicContact CB-CG1 3.87Å; H77-Y123 AromaticContact CE1-CE2 3.5Å; H77-Y123 AromaticContact CE1-CZ 3.73Å; H77-Y123 AromaticContact ND1-CE2 3.48Å; H77-Y123 WeakPolarHBondContact ND1-CE2 3.36Å; H77-L142 VanDerWaalsContact CE1-CD2 3.5Å; H77-L142 WeakPolarHBondContact CE1-CD2 3.46Å
78	I	94.6	Very high	87.7	Confident	47 Å²	47	44.5 Å²	44.5	24%	0.241	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	122.4	174.1	-64.2	170.7	0	0	0	108.1	I44 Y68 T69 H80 V120 E121	I44-I78 HydrophobicContact CD1-CB 4.39Å; I44-I78 HydrophobicContact CD1-CD1 4.22Å; I44-I78 HydrophobicContact CD1-CG1 3.95Å; I44-I78 HydrophobicContact CD1-CG2 3.67Å; Y68-I78 WeakPolarHBondContact O-CA 3.39Å; T69-I78 HydrophobicContact CG2-CG1 4.22Å; I78-H80 VanDerWaalsContact CG2-CE1 3.48Å; I78-H80 WeakPolarHBondContact CG2-CE1 3.36Å; I78-V120 WeakPolarHBondContact O-CA 3.49Å; I78-E121 HydrophobicContact CB-CB 3.89Å; I78-E121 WeakPolarHBondContact CB-OE2 3.37Å; I78-E121 VanDerWaalsContact CD1-OE2 3.23Å; I78-E121 WeakPolarHBondContact CD1-OE2 3.36Å; I78-E121 HydrophobicContact CG2-CB 4.33Å; I78-E121 WeakPolarHBondContact CG2-OE2 3.34Å; I78-E121 PolarHBondContact O-N 3.24Å
79	L	94.1	Very high	86.6	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	117.6	173.4	-48	-179.1	0	0	0	107.8	S67 Y68 L70 L81 V120 V128 L130 I140	S67-L79 CarbonylContact C-O 3.59Å; S67-L79 WeakPolarHBondContact CA-O 3Å; S67-L79 WeakPolarHBondContact CB-O 3.35Å; Y68-L79 PolarHBondContact N-O 3.01Å; Y68-L79 PolarHBondContact O-N 3.13Å; L70-L79 HydrophobicContact CB-CD1 4.25Å; L70-L79 HydrophobicContact CB-CG 4.46Å; L70-L79 HydrophobicContact CD2-CD1 4.03Å; L79-L81 HydrophobicContact CB-CD2 4.2Å; L79-L81 HydrophobicContact CB-CG 4.42Å; L79-V120 HydrophobicContact CD2-CB 4.46Å; L79-V120 HydrophobicContact CD2-CG1 4.27Å; L79-V120 HydrophobicContact CD2-CG2 3.74Å; L79-V128 HydrophobicContact CD2-CG2 4.33Å; L79-L130 HydrophobicContact CD1-CD1 4.12Å; L79-I140 HydrophobicContact CD1-CD1 3.79Å; L79-I140 HydrophobicContact CD1-CG1 4.48Å; L79-I140 HydrophobicContact CD2-CD1 4.45Å
80	H	92.4	Very high	84.9	Confident	74 Å²	74	46 Å²	46	34%	0.343	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	116.8	169.9	-60.4	-52.3	0	0	0	108.8	S67 I78 G118 S119 E121	S67-H80 PolarHBondContact OG-ND1 2.03Å; I78-H80 VanDerWaalsContact CG2-CE1 3.48Å; I78-H80 WeakPolarHBondContact CG2-CE1 3.36Å; H80-G118 CarbonylContact O-C 3.58Å; H80-G118 WeakPolarHBondContact O-CA 2.99Å; H80-S119 PolarHBondContact N-O 2.88Å; H80-S119 PolarHBondContact O-N 3.36Å; H80-S119 VanDerWaalsContact O-N 3.12Å; H80-E121 IonicContact CE1-OE2 3.16Å; H80-E121 PolarHBondContact CE1-OE2 2.91Å; H80-E121 IonicContact NE2-OE2 3.33Å; H80-E121 PolarHBondContact NE2-OE2 2.82Å
81	L	90.6	Very high	83.4	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.021	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	142.1	-174.6	-54.4	-176	0	0	0	111.1	K65 V66 Y68 L79 Y116 H117 V128 L130	K65-L81 CarbonylContact C-O 3.34Å; K65-L81 VanDerWaalsContact CA-O 3.3Å; K65-L81 WeakPolarHBondContact CA-O 3.14Å; V66-L81 HydrophobicContact CG1-CB 3.79Å; V66-L81 HydrophobicContact CG1-CD1 4.24Å; V66-L81 PolarHBondContact N-O 3.17Å; V66-L81 WeakPolarHBondContact O-CA 3.33Å; V66-L81 WeakPolarHBondContact O-CB 3.49Å; V66-L81 PolarHBondContact O-N 3.25Å; V66-L81 VanDerWaalsContact O-O 3.07Å; Y68-L81 HydrophobicContact CD2-CD1 3.67Å; Y68-L81 HydrophobicContact CD2-CG 4.5Å; Y68-L81 HydrophobicContact CE2-CD1 3.93Å; L79-L81 HydrophobicContact CB-CD2 4.2Å; L79-L81 HydrophobicContact CB-CG 4.42Å; L81-Y116 HydrophobicContact CB-CD1 4.02Å; L81-Y116 HydrophobicContact CB-CG 4.25Å; L81-H117 CarbonylContact C-O 3.6Å; L81-H117 WeakPolarHBondContact CA-O 3.22Å; L81-V128 HydrophobicContact CD2-CB 4.07Å; L81-V128 HydrophobicContact CD2-CG1 3.49Å; L81-V128 VanDerWaalsContact CD2-CG1 3.49Å; L81-L130 HydrophobicContact CD1-CD1 3.92Å; L81-L130 HydrophobicContact CD2-CD1 4.1Å
82	E	89	Confident	82.3	Confident	61 Å²	61	46.5 Å²	46.5	29%	0.285	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	136.3	-177.7	175.3	160.9	-96.9	0	0	109.2	K65 N84 Y116 H117	K65-E82 WeakPolarHBondContact CD-OE1 3.35Å; K65-E82 WeakPolarHBondContact CE-OE1 3.21Å; K65-E82 IonicContact NZ-OE1 3.67Å; K65-E82 PolarHBondContact NZ-OE1 2.89Å; E82-N84 PolarHBondContact O-N 2.81Å; E82-Y116 CarbonylContact O-C 3.58Å; E82-Y116 WeakPolarHBondContact O-CA 3.31Å; E82-Y116 WeakPolarHBondContact O-CB 3.48Å; E82-H117 PolarHBondContact N-O 3.31Å; E82-H117 PolarHBondContact O-N 3.26Å
83	K	85.8	Confident	81.1	Confident	41 Å²	41	47 Å²	47	18%	0.178	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	120.6	-174	-77.7	-175.8	175.5	166.1	0	112.1	G63 D64 R85 N113 Y115 Y116	G63-K83 WeakPolarHBondContact O-CE 3.47Å; G63-K83 PolarHBondContact O-NZ 3.47Å; D64-K83 PolarHBondContact O-N 2.82Å; K83-R85 HydrophobicContact CB-CG 3.97Å; K83-R85 PolarHBondContact O-N 3.46Å; K83-N113 HydrophobicContact CD-CB 4.32Å; K83-N113 WeakPolarHBondContact CD-O 3.3Å; K83-N113 WeakPolarHBondContact CE-O 3.29Å; K83-N113 PolarHBondContact NZ-O 2.88Å; K83-Y115 CarbonylContact C-O 3.52Å; K83-Y115 VanDerWaalsContact CA-O 3.32Å; K83-Y115 WeakPolarHBondContact CA-O 3.33Å; K83-Y116 HydrophobicContact CB-CD1 4.41Å; K83-Y116 HydrophobicContact CB-CE1 4.38Å; K83-Y116 HydrophobicContact CD-CE1 4.25Å; K83-Y116 WeakPolarHBondContact CE-OH 3.15Å; K83-Y116 HydrophobicContact CG-CD1 3.72Å; K83-Y116 HydrophobicContact CG-CE1 3.27Å
84	N	84.8	Confident	80.5	Confident	9 Å²	9	41.7 Å²	41.7	5%	0.048	21%	0.207	C	C	.	.			trans	-76.8	108	167.6	-170.9	4.6	0	0	0	109.3	E82 G86 F87 Y115 H117 N242 D245 R254	E82-N84 PolarHBondContact O-N 2.81Å; N84-G86 PolarHBondContact OD1-N 3.12Å; N84-F87 HydrophobicContact CB-CD1 4.02Å; N84-F87 HydrophobicContact CB-CE1 4.49Å; N84-F87 VanDerWaalsContact CG-CD1 3.48Å; N84-F87 WeakPolarHBondContact ND2-CD1 2.96Å; N84-F87 WeakPolarHBondContact O-CE1 2.95Å; N84-Y115 PolarHBondContact N-O 3.35Å; N84-H117 PolarHBondContact ND2-CE1 3.18Å; N84-H117 PolarHBondContact ND2-NE2 2.86Å; N84-H117 VanDerWaalsContact ND2-NE2 3.19Å; N84-N242 WeakPolarHBondContact CB-OD1 3.46Å; N84-N242 PolarHBondContact ND2-OD1 2.73Å; N84-N242 VanDerWaalsContact ND2-OD1 3.14Å; N84-D245 PolarHBondContact ND2-OD2 3.4Å; N84-D245 PolarHBondContact OD1-OD2 3.31Å; N84-R254 PolarHBondContact OD1-NH2 3.32Å
85	R	71.6	Confident	80	Confident	35 Å²	35	35.4 Å²	35.4	13%	0.132	17%	0.172	C	C	.	.			trans	-108.3	-9	-174.5	-70.6	168.8	169	-75.1	12.4	113.2	D64 K83 N113 I412 T414	D64-R85 IonicContact OD1-CZ 3.21Å; D64-R85 IonicContact OD1-NE 2.65Å; D64-R85 IonicContact OD1-NH2 2.99Å; D64-R85 PolarHBondContact OD1-NH2 2.95Å; D64-R85 IonicContact OD2-NH2 3.26Å; K83-R85 HydrophobicContact CB-CG 3.97Å; K83-R85 PolarHBondContact O-N 3.46Å; R85-N113 PolarHBondContact NH1-ND2 3.42Å; R85-I412 WeakPolarHBondContact CB-O 3.49Å; R85-I412 PolarHBondContact O-N 2.56Å; R85-T414 PolarHBondContact NE-OG1 2.77Å; R85-T414 PolarHBondContact NH2-OG1 3.31Å
86	G	68.9	Low	79.1	Confident	8 Å²	8	30.5 Å²	30.5	8%	0.082	15%	0.151	C	C	.	.	S	Bend	trans	-102.6	-14.2	-171.2	0	0	0	0	0	115.8	N84 L88	N84-G86 PolarHBondContact OD1-N 3.12Å; G86-L88 VanDerWaalsContact C-N 3.32Å; G86-L88 PolarHBondContact O-N 2.9Å
87	F	82.6	Confident	77.8	Confident	2 Å²	2	28.1 Å²	28.1	1%	0.009	14%	0.137	C	C	.	.	S	Bend	trans	-80.9	-7.3	-176	82.3	-78.4	0	0	0	114.5	N84 Y115 V238 A241 N242 D245 V255 V256 L257	N84-F87 HydrophobicContact CB-CD1 4.02Å; N84-F87 HydrophobicContact CB-CE1 4.49Å; N84-F87 VanDerWaalsContact CG-CD1 3.48Å; N84-F87 WeakPolarHBondContact ND2-CD1 2.96Å; N84-F87 WeakPolarHBondContact O-CE1 2.95Å; F87-Y115 HydrophobicContact CE1-CD2 4.02Å; F87-Y115 AromaticContact CE1-CG 3.87Å; F87-Y115 HydrophobicContact CE1-CG 3.87Å; F87-Y115 HydrophobicContact CZ-CD1 4.16Å; F87-Y115 AromaticContact CZ-CD2 3.65Å; F87-Y115 HydrophobicContact CZ-CD2 3.65Å; F87-Y115 HydrophobicContact CZ-CE2 4.23Å; F87-Y115 AromaticContact CZ-CG 3.62Å; F87-Y115 HydrophobicContact CZ-CG 3.62Å; F87-V238 HydrophobicContact CE2-CG1 3.66Å; F87-V238 WeakPolarHBondContact CE2-O 3.2Å; F87-V238 HydrophobicContact CZ-CG1 3.69Å; F87-A241 HydrophobicContact CD2-CB 3.76Å; F87-A241 HydrophobicContact CE2-CB 4.13Å; F87-N242 HydrophobicContact CD1-CB 4.39Å; F87-N242 HydrophobicContact CD2-CB 4.02Å; F87-N242 HydrophobicContact CE1-CB 4.18Å; F87-N242 HydrophobicContact CE2-CB 3.81Å; F87-N242 HydrophobicContact CG-CB 4.31Å; F87-N242 HydrophobicContact CZ-CB 3.89Å; F87-D245 HydrophobicContact CB-CB 3.8Å; F87-V255 WeakPolarHBondContact CA-O 3Å; F87-V255 WeakPolarHBondContact CB-O 3.04Å; F87-V256 CarbonylContact O-C 3.53Å; F87-V256 WeakPolarHBondContact O-CA 3.04Å; F87-L257 PolarHBondContact O-N 3.36Å
88	L	76.7	Confident	76	Confident	3 Å²	3	31.4 Å²	31.4	2%	0.016	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	124.2	-177.2	-172.9	65.3	0	0	0	110.1	G86 F92 H111 V238 L257 I412	G86-L88 VanDerWaalsContact C-N 3.32Å; G86-L88 PolarHBondContact O-N 2.9Å; L88-F92 HydrophobicContact CD1-CB 3.99Å; L88-F92 HydrophobicContact CD1-CD1 4.29Å; L88-F92 HydrophobicContact CD1-CD2 3.71Å; L88-F92 HydrophobicContact CD1-CE2 4.23Å; L88-F92 HydrophobicContact CD1-CG 3.74Å; L88-F92 HydrophobicContact CG-CB 4.38Å; L88-H111 HydrophobicContact CD2-CB 4.12Å; L88-V238 HydrophobicContact CD1-CG1 4.47Å; L88-V238 HydrophobicContact CD1-CG2 4.23Å; L88-V238 HydrophobicContact CD2-CG1 3.98Å; L88-L257 HydrophobicContact CD1-CB 4.11Å; L88-L257 HydrophobicContact CD1-CD2 3.89Å; L88-L257 HydrophobicContact CD1-CG 4.26Å; L88-I412 HydrophobicContact CB-CD1 4.13Å; L88-I412 HydrophobicContact CD2-CD1 3.79Å; L88-I412 HydrophobicContact CG-CD1 3.77Å; L88-I412 WeakPolarHBondContact O-CG1 3.01Å
89	H	70.7	Confident	73.7	Confident	30 Å²	30	33.5 Å²	33.5	14%	0.139	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	134.6	-178.7	-160	-105.4	0	0	0	111	N91 F92 V256 L257 V258 D410	H89-N91 VanDerWaalsContact C-N 3.26Å; H89-N91 PolarHBondContact ND1-N 3.02Å; H89-N91 PolarHBondContact O-N 3.12Å; H89-F92 HydrophobicContact CB-CB 4.49Å; H89-F92 WeakPolarHBondContact O-CA 3.1Å; H89-F92 WeakPolarHBondContact O-CB 3.25Å; H89-F92 PolarHBondContact O-N 3.05Å; H89-V256 HydrophobicContact CB-CG1 4.48Å; H89-L257 WeakPolarHBondContact CB-O 3.05Å; H89-L257 PolarHBondContact N-O 2.84Å; H89-L257 VanDerWaalsContact N-O 3.08Å; H89-V258 HydrophobicContact CB-CB 4.45Å; H89-V258 HydrophobicContact CB-CG1 4.26Å; H89-D410 IonicContact CE1-OD1 3.86Å; H89-D410 PolarHBondContact CE1-OD1 3.47Å; H89-D410 VanDerWaalsContact CE1-OD1 3.28Å; H89-D410 WeakPolarHBondContact NE2-CB 3.48Å; H89-D410 VanDerWaalsContact NE2-CG 3.27Å; H89-D410 IonicContact NE2-OD1 3Å; H89-D410 PolarHBondContact NE2-OD1 3.06Å; H89-D410 IonicContact NE2-OD2 3.08Å
90	P	57.3	Low	71.5	Confident	50 Å²	50	37.1 Å²	37.1	33%	0.325	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	-33.3	173.6	-31.7	38.2	0	0	0	114.6	F92 S409 D410 V411 I412	P90-F92 PolarHBondContact O-N 2.93Å; P90-S409 WeakPolarHBondContact CG-O 3.31Å; P90-D410 WeakPolarHBondContact CD-O 3.34Å; P90-D410 VanDerWaalsContact CG-CA 3.47Å; P90-V411 VanDerWaalsContact CG-N 3.3Å; P90-I412 HydrophobicContact CB-CG1 4.07Å; P90-I412 HydrophobicContact CG-CG1 3.57Å
91	N	60.9	Low	69.6	Low	92 Å²	92	35 Å²	35	49%	0.492	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	24.8	170	-58.3	-63.9	0	0	0	111.5	H89 V93 D410	H89-N91 VanDerWaalsContact C-N 3.26Å; H89-N91 PolarHBondContact ND1-N 3.02Å; H89-N91 PolarHBondContact O-N 3.12Å; N91-V93 PolarHBondContact O-N 2.83Å; N91-D410 PolarHBondContact ND2-OD1 2.77Å
92	F	68.9	Low	67.8	Low	6 Å²	6	39.9 Å²	39.9	3%	0.026	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51	113.1	174.4	166.8	-104.6	0	0	0	108.8	L88 H89 P90 Q94 P108 R234 V238 L257 L260	L88-F92 HydrophobicContact CD1-CB 3.99Å; L88-F92 HydrophobicContact CD1-CD1 4.29Å; L88-F92 HydrophobicContact CD1-CD2 3.71Å; L88-F92 HydrophobicContact CD1-CE2 4.23Å; L88-F92 HydrophobicContact CD1-CG 3.74Å; L88-F92 HydrophobicContact CG-CB 4.38Å; H89-F92 HydrophobicContact CB-CB 4.49Å; H89-F92 WeakPolarHBondContact O-CA 3.1Å; H89-F92 WeakPolarHBondContact O-CB 3.25Å; H89-F92 PolarHBondContact O-N 3.05Å; P90-F92 PolarHBondContact O-N 2.93Å; F92-Q94 HydrophobicContact CE1-CB 4.39Å; F92-P108 HydrophobicContact CD1-CG 4.13Å; F92-P108 HydrophobicContact CE1-CG 4.08Å; F92-P108 WeakPolarHBondContact O-CD 3.38Å; F92-R234 HydrophobicContact CE1-CG 4.29Å; F92-V238 HydrophobicContact CZ-CG2 4.42Å; F92-L257 HydrophobicContact CD2-CD2 4.2Å; F92-L257 HydrophobicContact CD2-CG 4.08Å; F92-L257 HydrophobicContact CE2-CD2 3.63Å; F92-L257 HydrophobicContact CE2-CG 3.82Å; F92-L257 HydrophobicContact CZ-CD2 4.33Å; F92-L260 HydrophobicContact CE2-CB 3.63Å; F92-L260 HydrophobicContact CZ-CB 3.49Å; F92-L260 VanDerWaalsContact CZ-CB 3.49Å; F92-L260 HydrophobicContact CZ-CD2 4Å; F92-L260 HydrophobicContact CZ-CG 4.41Å
93	V	63.8	Low	66.5	Low	10 Å²	10	41.1 Å²	41.1	6%	0.061	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	123.2	-173.7	61.7	0	0	0	0	108.5	N91 Y95 T105 Y107 G259 L260 I294	N91-V93 PolarHBondContact O-N 2.83Å; V93-Y95 HydrophobicContact CB-CE2 4.07Å; V93-Y95 HydrophobicContact CG1-CD2 4.2Å; V93-Y95 HydrophobicContact CG1-CE2 3.57Å; V93-Y95 HydrophobicContact CG2-CD2 3.9Å; V93-Y95 HydrophobicContact CG2-CE1 4.45Å; V93-Y95 HydrophobicContact CG2-CE2 3.34Å; V93-T105 HydrophobicContact CG2-CG2 3.51Å; V93-Y107 HydrophobicContact CB-CD1 4.26Å; V93-Y107 HydrophobicContact CB-CE1 3.85Å; V93-Y107 HydrophobicContact CG2-CD1 4.36Å; V93-Y107 HydrophobicContact CG2-CE1 3.82Å; V93-G259 VanDerWaalsContact O-CA 3.31Å; V93-G259 WeakPolarHBondContact O-CA 3.02Å; V93-L260 PolarHBondContact O-N 2.03Å; V93-I294 HydrophobicContact CG1-CD1 3.98Å; V93-I294 HydrophobicContact CG1-CG1 4.11Å
94	Q	75	Confident	65.3	Low	6 Å²	6	42.3 Å²	42.3	3%	0.028	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	114.5	171.7	175.6	173.8	-51.7	0	0	109.1	F92 S106 P108 E230 R234 L260 I262	F92-Q94 HydrophobicContact CE1-CB 4.39Å; Q94-S106 WeakPolarHBondContact CB-OG 2.89Å; Q94-S106 PolarHBondContact N-O 3.11Å; Q94-S106 PolarHBondContact O-N 3.2Å; Q94-S106 PolarHBondContact O-OG 2.82Å; Q94-P108 HydrophobicContact CB-CG 4.34Å; Q94-E230 PolarHBondContact NE2-OE1 2.94Å; Q94-R234 VanDerWaalsContact OE1-CG 3.29Å; Q94-L260 CarbonylContact C-O 3.58Å; Q94-L260 VanDerWaalsContact CA-O 3.28Å; Q94-L260 WeakPolarHBondContact CA-O 3.17Å; Q94-I262 HydrophobicContact CG-CD1 4.4Å
95	Y	73.2	Confident	64.3	Low	30 Å²	30	45.1 Å²	45.1	12%	0.118	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	133.7	169.6	-69.6	-86.2	0	0	0	109.7	V93 N104 T105 L260 E261 I262 I294	V93-Y95 HydrophobicContact CB-CE2 4.07Å; V93-Y95 HydrophobicContact CG1-CD2 4.2Å; V93-Y95 HydrophobicContact CG1-CE2 3.57Å; V93-Y95 HydrophobicContact CG2-CD2 3.9Å; V93-Y95 HydrophobicContact CG2-CE1 4.45Å; V93-Y95 HydrophobicContact CG2-CE2 3.34Å; Y95-N104 WeakPolarHBondContact CA-O 3.41Å; Y95-T105 HydrophobicContact CD1-CG2 4.27Å; Y95-T105 HydrophobicContact CE1-CG2 3.74Å; Y95-T105 VanDerWaalsContact CE1-OG1 3.26Å; Y95-T105 WeakPolarHBondContact CE1-OG1 3.41Å; Y95-L260 PolarHBondContact N-O 2.8Å; Y95-E261 WeakPolarHBondContact O-CA 3.4Å; Y95-I262 PolarHBondContact O-N 3.44Å; Y95-I294 HydrophobicContact CD2-CD1 3.72Å; Y95-I294 HydrophobicContact CD2-CG1 4.16Å; Y95-I294 HydrophobicContact CE2-CD1 3.67Å; Y95-I294 HydrophobicContact CE2-CG1 3.61Å
96	S	73.1	Confident	63.9	Low	3 Å²	3	45.4 Å²	45.4	2%	0.021	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	129	167	68.9	0	0	0	0	111	N104 E230 K264	S96-N104 PolarHBondContact N-O 2.92Å; S96-N104 PolarHBondContact O-N 3.36Å; S96-E230 WeakPolarHBondContact CB-OE1 3.44Å; S96-E230 PolarHBondContact OG-OE1 3.08Å; S96-K264 VanDerWaalsContact CB-CD 3.42Å
97	R	66.4	Low	63.5	Low	68 Å²	68	51.9 Å²	51.9	26%	0.257	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	144.1	-175.9	-161.7	173.1	-177.8	-140.4	0.5	110.3	Y103 Q265	R97-Y103 HydrophobicContact CB-CD1 4.4Å; R97-Y103 HydrophobicContact CB-CE1 4.33Å; R97-Y103 HydrophobicContact CG-CD1 4.33Å; R97-Y103 HydrophobicContact CG-CE1 4.06Å; R97-Q265 PolarHBondContact O-NE2 2.89Å; R97-Q265 PolarHBondContact O-OE1 3.31Å
98	E	56.8	Low	62.4	Low	79 Å²	79	53.1 Å²	53.1	37%	0.369	29%	0.294	S	S	.	.			trans	-103.4	159.6	173	-72.5	-151	156.6	0	0	113	S100 G101 N102 N104 Q265	E98-S100 PolarHBondContact O-N 2.67Å; E98-S100 VanDerWaalsContact O-N 3.11Å; E98-G101 WeakPolarHBondContact O-CA 3.28Å; E98-G101 PolarHBondContact O-N 3.25Å; E98-N102 PolarHBondContact N-O 3.48Å; E98-N104 WeakPolarHBondContact CG-ND2 3.49Å; E98-N104 PolarHBondContact OE1-ND2 3.18Å; E98-Q265 PolarHBondContact O-OE1 2.89Å
99	A	46	Very low	61	Low	91 Å²	91	64.4 Å²	64.4	75%	0.752	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-21.8	179	0	0	0	0	0	114	G101 Q265	A99-G101 PolarHBondContact O-N 2.86Å; A99-Q265 HydrophobicContact CB-CG 3.89Å
100	S	47.7	Very low	60.1	Low	77 Å²	77	71.7 Å²	71.7	54%	0.538	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-7.9	172.9	55.2	0	0	0	0	113.8	E98 N102	E98-S100 PolarHBondContact O-N 2.67Å; E98-S100 VanDerWaalsContact O-N 3.11Å; S100-N102 VanDerWaalsContact C-N 3.27Å; S100-N102 PolarHBondContact OG-N 3.09Å
101	G	52.7	Low	59.9	Low	30 Å²	30	70.5 Å²	70.5	31%	0.309	36%	0.36	S	S	.	.	S	Bend	trans	85.8	-9.7	-170.7	0	0	0	0	0	114.1	E98 A99	E98-G101 WeakPolarHBondContact O-CA 3.28Å; E98-G101 PolarHBondContact O-N 3.25Å; A99-G101 PolarHBondContact O-N 2.86Å
102	N	51.3	Low	59.6	Low	106 Å²	106	71.5 Å²	71.5	57%	0.567	37%	0.37	S	S	*	.			trans	-71	159.3	176.6	-68.8	-25.1	0	0	0	112.1	E98 S100	E98-N102 PolarHBondContact N-O 3.48Å; S100-N102 VanDerWaalsContact C-N 3.27Å; S100-N102 PolarHBondContact OG-N 3.09Å
103	Y	61.8	Low	59.8	Low	87 Å²	87	72.3 Å²	72.3	34%	0.341	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	121.4	176.1	-66.2	-79.9	0	0	0	110.7	R97 K293	R97-Y103 HydrophobicContact CB-CD1 4.4Å; R97-Y103 HydrophobicContact CB-CE1 4.33Å; R97-Y103 HydrophobicContact CG-CD1 4.33Å; R97-Y103 HydrophobicContact CG-CE1 4.06Å; Y103-K293 PolarHBondContact OH-NZ 3.28Å
104	N	61.6	Low	60.8	Low	67 Å²	67	72.4 Å²	72.4	36%	0.358	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	118.9	162.6	-73.3	-10.7	0	0	0	108	Y95 S96 E98	Y95-N104 WeakPolarHBondContact CA-O 3.41Å; S96-N104 PolarHBondContact N-O 2.92Å; S96-N104 PolarHBondContact O-N 3.36Å; E98-N104 WeakPolarHBondContact CG-ND2 3.49Å; E98-N104 PolarHBondContact OE1-ND2 3.18Å
105	T	63.7	Low	61.5	Low	67 Å²	67	72.4 Å²	72.4	41%	0.411	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125.2	172.2	-49.9	0	0	0	0	107.9	V93 Y95 Y107	V93-T105 HydrophobicContact CG2-CG2 3.51Å; Y95-T105 HydrophobicContact CD1-CG2 4.27Å; Y95-T105 HydrophobicContact CE1-CG2 3.74Å; Y95-T105 VanDerWaalsContact CE1-OG1 3.26Å; Y95-T105 WeakPolarHBondContact CE1-OG1 3.41Å; T105-Y107 HydrophobicContact CG2-CE2 3.88Å
106	S	62	Low	62.3	Low	42 Å²	42	72 Å²	72	29%	0.294	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	139	173.6	66.6	0	0	0	0	110.4	Q94 P108	Q94-S106 WeakPolarHBondContact CB-OG 2.89Å; Q94-S106 PolarHBondContact N-O 3.11Å; Q94-S106 PolarHBondContact O-N 3.2Å; Q94-S106 PolarHBondContact O-OG 2.82Å; S106-P108 WeakPolarHBondContact O-CD 3.43Å
107	Y	61.8	Low	63.2	Low	143 Å²	143	72.5 Å²	72.5	56%	0.561	38%	0.375	S	S	*	.			trans	-109.6	94.5	169.2	-63.4	-84.2	0	0	0	106.1	V93 T105 R109	V93-Y107 HydrophobicContact CB-CD1 4.26Å; V93-Y107 HydrophobicContact CB-CE1 3.85Å; V93-Y107 HydrophobicContact CG2-CD1 4.36Å; V93-Y107 HydrophobicContact CG2-CE1 3.82Å; T105-Y107 HydrophobicContact CG2-CE2 3.88Å; Y107-R109 PolarHBondContact O-N 2.87Å
108	P	59.8	Low	64.4	Low	28 Å²	28	70.5 Å²	70.5	18%	0.182	38%	0.375	C	S	.	.			trans	-64.9	114.1	-172.8	-19.3	32.8	0	0	0	109.7	F92 Q94 S106 Q110	F92-P108 HydrophobicContact CD1-CG 4.13Å; F92-P108 HydrophobicContact CE1-CG 4.08Å; F92-P108 WeakPolarHBondContact O-CD 3.38Å; Q94-P108 HydrophobicContact CB-CG 4.34Å; S106-P108 WeakPolarHBondContact O-CD 3.43Å; P108-Q110 PolarHBondContact O-N 3.36Å
109	R	46.9	Very low	66.1	Low	240 Å²	240	69.3 Å²	69.3	91%	0.906	38%	0.376	S	S	*	.			trans	-59.6	129.8	-175.3	-76.2	-174	178.6	175.1	0.3	111	Y107 H111	Y107-R109 PolarHBondContact O-N 2.87Å; R109-H111 PolarHBondContact O-N 3.37Å
110	Q	50.8	Low	68.3	Low	184 Å²	184	65.1 Å²	65.1	86%	0.86	34%	0.341	S	S	*	.			trans	42.9	70.8	156.8	-158.6	169.6	15.7	0	0	113.1	P108 V112	P108-Q110 PolarHBondContact O-N 3.36Å; Q110-V112 PolarHBondContact O-N 2.87Å
111	H	54.5	Low	70.4	Confident	24 Å²	24	66.4 Å²	66.4	11%	0.111	34%	0.339	C	S	.	.			trans	-49.4	131.9	172.7	-86.7	-91.7	0	0	0	110.6	L88 R109 N113 R234	L88-H111 HydrophobicContact CD2-CB 4.12Å; R109-H111 PolarHBondContact O-N 3.37Å; H111-N113 PolarHBondContact O-N 3.32Å; H111-N113 VanDerWaalsContact O-N 3.08Å; H111-R234 PolarHBondContact CE1-NH1 2.85Å; H111-R234 PolarHBondContact NE2-NH1 2.9Å
112	V	55.2	Low	72.1	Confident	114 Å²	114	68.7 Å²	68.7	69%	0.691	36%	0.362	S	S	*	.			trans	-62.2	114.8	168.6	-179.2	0	0	0	0	106.1	Q110 C114	Q110-V112 PolarHBondContact O-N 2.87Å; V112-C114 HydrophobicContact CG1-CB 4.27Å; V112-C114 PolarHBondContact O-N 3.44Å; V112-C114 PolarHBondContact O-SG 3.35Å
113	N	71.3	Confident	73.8	Confident	23 Å²	23	66 Å²	66	12%	0.123	34%	0.344	C	S	.	.			trans	-75.6	85.6	177.5	-79	-9.2	0	0	0	109.3	K83 R85 H111 I412	K83-N113 HydrophobicContact CD-CB 4.32Å; K83-N113 WeakPolarHBondContact CD-O 3.3Å; K83-N113 WeakPolarHBondContact CE-O 3.29Å; K83-N113 PolarHBondContact NZ-O 2.88Å; R85-N113 PolarHBondContact NH1-ND2 3.42Å; H111-N113 PolarHBondContact O-N 3.32Å; H111-N113 VanDerWaalsContact O-N 3.08Å; N113-I412 PolarHBondContact ND2-O 3.05Å
114	C	85.2	Confident	74.7	Confident	12 Å²	12	71.4 Å²	71.4	8%	0.081	37%	0.373	C	S	.	.			trans	-114.9	24.3	176.6	40.6	0	0	0	0	111.4	V112 Y116 S131 T132 C133	V112-C114 HydrophobicContact CG1-CB 4.27Å; V112-C114 PolarHBondContact O-N 3.44Å; V112-C114 PolarHBondContact O-SG 3.35Å; C114-Y116 VanDerWaalsContact C-CE2 3.42Å; C114-Y116 WeakPolarHBondContact O-CD2 3.46Å; C114-Y116 WeakPolarHBondContact O-CE2 3.05Å; C114-S131 CarbonylContact O-C 3.6Å; C114-S131 VanDerWaalsContact O-CA 3.23Å; C114-S131 WeakPolarHBondContact O-CA 3.48Å; C114-T132 WeakPolarHBondContact CB-OG1 3.22Å; C114-T132 PolarHBondContact O-N 2.86Å; C114-C133 HydrophobicContact CB-CB 3.98Å; C114-C133 WeakPolarHBondContact CB-SG 3.49Å; C114-C133 WeakPolarHBondContact SG-CA 3.11Å; C114-C133 WeakPolarHBondContact SG-CB 3.43Å; C114-C133 CovalentContact SG-SG 2.03Å; C114-C133 PolarHBondContact SG-SG 3.21Å
115	Y	89	Confident	75.4	Confident	6 Å²	6	70.7 Å²	70.7	2%	0.024	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	137	177.1	-60.6	-77.4	0	0	0	109.5	K83 N84 F87 V238 Q239 N242	K83-Y115 CarbonylContact C-O 3.52Å; K83-Y115 VanDerWaalsContact CA-O 3.32Å; K83-Y115 WeakPolarHBondContact CA-O 3.33Å; N84-Y115 PolarHBondContact N-O 3.35Å; F87-Y115 HydrophobicContact CE1-CD2 4.02Å; F87-Y115 AromaticContact CE1-CG 3.87Å; F87-Y115 HydrophobicContact CE1-CG 3.87Å; F87-Y115 HydrophobicContact CZ-CD1 4.16Å; F87-Y115 AromaticContact CZ-CD2 3.65Å; F87-Y115 HydrophobicContact CZ-CD2 3.65Å; F87-Y115 HydrophobicContact CZ-CE2 4.23Å; F87-Y115 AromaticContact CZ-CG 3.62Å; F87-Y115 HydrophobicContact CZ-CG 3.62Å; Y115-V238 HydrophobicContact CD2-CG1 4.29Å; Y115-V238 HydrophobicContact CE1-CG1 4.12Å; Y115-V238 HydrophobicContact CE2-CG1 3.56Å; Y115-V238 VanDerWaalsContact CZ-CG1 3.45Å; Y115-V238 WeakPolarHBondContact OH-CG1 3.41Å; Y115-Q239 VanDerWaalsContact CD1-OE1 3.27Å; Y115-Q239 HydrophobicContact CE1-CB 3.96Å; Y115-N242 HydrophobicContact CD1-CB 3.93Å; Y115-N242 HydrophobicContact CG-CB 4.36Å
116	Y	91.3	Very high	76.5	Confident	20 Å²	20	68.1 Å²	68.1	8%	0.078	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	145.5	-170.6	-58.5	-102.7	0	0	0	112	V66 L81 E82 K83 C114 A129 L130 T132	V66-Y116 HydrophobicContact CG1-CD1 3.97Å; V66-Y116 HydrophobicContact CG1-CE1 3.62Å; L81-Y116 HydrophobicContact CB-CD1 4.02Å; L81-Y116 HydrophobicContact CB-CG 4.25Å; E82-Y116 CarbonylContact O-C 3.58Å; E82-Y116 WeakPolarHBondContact O-CA 3.31Å; E82-Y116 WeakPolarHBondContact O-CB 3.48Å; K83-Y116 HydrophobicContact CB-CD1 4.41Å; K83-Y116 HydrophobicContact CB-CE1 4.38Å; K83-Y116 HydrophobicContact CD-CE1 4.25Å; K83-Y116 WeakPolarHBondContact CE-OH 3.15Å; K83-Y116 HydrophobicContact CG-CD1 3.72Å; K83-Y116 HydrophobicContact CG-CE1 3.27Å; C114-Y116 VanDerWaalsContact C-CE2 3.42Å; C114-Y116 WeakPolarHBondContact O-CD2 3.46Å; C114-Y116 WeakPolarHBondContact O-CE2 3.05Å; Y116-A129 WeakPolarHBondContact O-CA 3.47Å; Y116-L130 PolarHBondContact N-O 2.92Å; Y116-L130 PolarHBondContact O-N 2.91Å; Y116-T132 HydrophobicContact CD2-CG2 3.82Å; Y116-T132 HydrophobicContact CE2-CG2 3.42Å; Y116-T132 VanDerWaalsContact CE2-CG2 3.42Å; Y116-T132 WeakPolarHBondContact CE2-OG1 3.43Å
117	H	92.8	Very high	77.7	Confident	15 Å²	15	67.8 Å²	67.8	7%	0.069	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	167.8	160.3	-70	169.6	0	0	0	109.8	L81 E82 N84 V128 N242 D245 G246	L81-H117 CarbonylContact C-O 3.6Å; L81-H117 WeakPolarHBondContact CA-O 3.22Å; E82-H117 PolarHBondContact N-O 3.31Å; E82-H117 PolarHBondContact O-N 3.26Å; N84-H117 PolarHBondContact ND2-CE1 3.18Å; N84-H117 PolarHBondContact ND2-NE2 2.86Å; N84-H117 VanDerWaalsContact ND2-NE2 3.19Å; H117-V128 CarbonylContact C-O 3.55Å; H117-V128 WeakPolarHBondContact CA-O 3.49Å; H117-N242 PolarHBondContact NE2-O 2.87Å; H117-N242 PolarHBondContact NE2-OD1 2.88Å; H117-D245 IonicContact CE1-OD2 3.8Å; H117-D245 PolarHBondContact CE1-OD2 2.81Å; H117-G246 WeakPolarHBondContact CE1-CA 3.31Å; H117-G246 PolarHBondContact CE1-N 3.43Å; H117-G246 VanDerWaalsContact CE1-N 3.26Å; H117-G246 WeakPolarHBondContact NE2-CA 3.36Å; H117-G246 PolarHBondContact NE2-N 2.76Å
118	G	91.1	Very high	79.2	Confident	25 Å²	25	61 Å²	61	26%	0.258	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	177.4	-171.4	-178.3	0	0	0	0	0	114.9	H80 V128	H80-G118 CarbonylContact O-C 3.58Å; H80-G118 WeakPolarHBondContact O-CA 2.99Å; G118-V128 PolarHBondContact N-O 3.37Å; G118-V128 PolarHBondContact O-N 3.4Å
119	S	91.5	Very high	80.8	Confident	54 Å²	54	59.7 Å²	59.7	38%	0.378	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	166.7	176.9	61.8	0	0	0	0	111	H80	H80-S119 PolarHBondContact N-O 2.88Å; H80-S119 PolarHBondContact O-N 3.36Å; H80-S119 VanDerWaalsContact O-N 3.12Å
120	V	92.4	Very high	83	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.018	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	129.8	175.1	-169.5	0	0	0	0	109.4	H77 I78 L79 G122 Y123 S126 V128 I140 L142	H77-V120 HydrophobicContact CB-CG1 3.87Å; I78-V120 WeakPolarHBondContact O-CA 3.49Å; L79-V120 HydrophobicContact CD2-CB 4.46Å; L79-V120 HydrophobicContact CD2-CG1 4.27Å; L79-V120 HydrophobicContact CD2-CG2 3.74Å; V120-G122 PolarHBondContact O-N 3.15Å; V120-Y123 HydrophobicContact CB-CD2 4.32Å; V120-Y123 HydrophobicContact CG1-CD2 3.89Å; V120-Y123 PolarHBondContact O-N 2.75Å; V120-Y123 VanDerWaalsContact O-N 3.1Å; V120-S126 PolarHBondContact N-OG 3.19Å; V120-V128 HydrophobicContact CG2-CG2 3.88Å; V120-I140 HydrophobicContact CG2-CG2 4.25Å; V120-L142 HydrophobicContact CB-CD1 4.24Å; V120-L142 HydrophobicContact CG1-CD1 4.08Å; V120-L142 HydrophobicContact CG2-CD1 4.29Å
121	E	91.9	Very high	84.9	Confident	105 Å²	105	39.9 Å²	39.9	49%	0.491	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	126.9	-178.2	-165.2	-177.7	141.1	0	0	111.3	I78 H80 Y123	I78-E121 HydrophobicContact CB-CB 3.89Å; I78-E121 WeakPolarHBondContact CB-OE2 3.37Å; I78-E121 VanDerWaalsContact CD1-OE2 3.23Å; I78-E121 WeakPolarHBondContact CD1-OE2 3.36Å; I78-E121 HydrophobicContact CG2-CB 4.33Å; I78-E121 WeakPolarHBondContact CG2-OE2 3.34Å; I78-E121 PolarHBondContact O-N 3.24Å; H80-E121 IonicContact CE1-OE2 3.16Å; H80-E121 PolarHBondContact CE1-OE2 2.91Å; H80-E121 IonicContact NE2-OE2 3.33Å; H80-E121 PolarHBondContact NE2-OE2 2.82Å; E121-Y123 WeakPolarHBondContact O-CD2 3.43Å
122	G	87.7	Confident	86.6	Confident	78 Å²	78	40.4 Å²	40.4	80%	0.804	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	5.6	-178.9	0	0	0	0	0	115.8	V120	V120-G122 PolarHBondContact O-N 3.15Å
123	Y	87.1	Confident	88	Confident	48 Å²	48	37.1 Å²	37.1	19%	0.188	23%	0.232	C	C	.	.			trans	-123.2	93.6	-178.7	-71.3	-85.4	0	0	0	112.1	K75 H77 V120 E121 S126 L142 E143	K75-Y123 PolarHBondContact NZ-OH 2.77Å; H77-Y123 AromaticContact CE1-CE2 3.5Å; H77-Y123 AromaticContact CE1-CZ 3.73Å; H77-Y123 AromaticContact ND1-CE2 3.48Å; H77-Y123 WeakPolarHBondContact ND1-CE2 3.36Å; V120-Y123 HydrophobicContact CB-CD2 4.32Å; V120-Y123 HydrophobicContact CG1-CD2 3.89Å; V120-Y123 PolarHBondContact O-N 2.75Å; V120-Y123 VanDerWaalsContact O-N 3.1Å; E121-Y123 WeakPolarHBondContact O-CD2 3.43Å; Y123-S126 VanDerWaalsContact O-CB 3.31Å; Y123-S126 WeakPolarHBondContact O-CB 3.33Å; Y123-S126 PolarHBondContact O-N 3.12Å; Y123-S126 PolarHBondContact O-OG 2.04Å; Y123-L142 HydrophobicContact CD1-CD1 3.69Å; Y123-L142 HydrophobicContact CD2-CD1 3.71Å; Y123-L142 HydrophobicContact CE1-CD1 3.96Å; Y123-L142 HydrophobicContact CE2-CD1 3.98Å; Y123-L142 HydrophobicContact CG-CD1 3.55Å; Y123-E143 HydrophobicContact CD1-CG 3.81Å; Y123-E143 HydrophobicContact CE1-CG 3.6Å; Y123-E143 VanDerWaalsContact CE1-OE1 3.24Å; Y123-E143 WeakPolarHBondContact CE1-OE1 3.37Å
124	E	80.9	Confident	88.5	Confident	202 Å²	202	39.8 Å²	39.8	94%	0.944	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	139	172.6	-66.7	-172.6	173.2	0	0	111.3	S126	E124-S126 PolarHBondContact O-N 2.75Å
125	G	76.4	Confident	88.5	Confident	52 Å²	52	40.5 Å²	40.5	54%	0.536	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	2.6	-177	0	0	0	0	0	115.4
126	S	87.5	Confident	88.6	Confident	12 Å²	12	40.5 Å²	40.5	8%	0.084	26%	0.262	C	S	.	.			trans	-67.3	145.1	168.1	62.1	0	0	0	0	111.3	V120 Y123 E124 L141	V120-S126 PolarHBondContact N-OG 3.19Å; Y123-S126 VanDerWaalsContact O-CB 3.31Å; Y123-S126 WeakPolarHBondContact O-CB 3.33Å; Y123-S126 PolarHBondContact O-N 3.12Å; Y123-S126 PolarHBondContact O-OG 2.04Å; E124-S126 PolarHBondContact O-N 2.75Å; S126-L141 WeakPolarHBondContact CA-O 3.43Å; S126-L141 WeakPolarHBondContact CB-O 3.25Å
127	V	87.2	Confident	88.6	Confident	35 Å²	35	43.5 Å²	43.5	21%	0.212	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	127.4	-178.6	179.5	0	0	0	0	108.6	L141	V127-L141 HydrophobicContact CB-CB 4.17Å; V127-L141 HydrophobicContact CB-CD2 4.31Å; V127-L141 HydrophobicContact CG2-CD2 4.22Å; V127-L141 PolarHBondContact N-O 3.19Å; V127-L141 PolarHBondContact O-N 2.95Å
128	V	92.8	Very high	88.6	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.1	176.3	-174.2	0	0	0	0	108.8	L79 L81 H117 G118 V120 L130 I140	L79-V128 HydrophobicContact CD2-CG2 4.33Å; L81-V128 HydrophobicContact CD2-CB 4.07Å; L81-V128 HydrophobicContact CD2-CG1 3.49Å; L81-V128 VanDerWaalsContact CD2-CG1 3.49Å; H117-V128 CarbonylContact C-O 3.55Å; H117-V128 WeakPolarHBondContact CA-O 3.49Å; G118-V128 PolarHBondContact N-O 3.37Å; G118-V128 PolarHBondContact O-N 3.4Å; V120-V128 HydrophobicContact CG2-CG2 3.88Å; V128-L130 HydrophobicContact CG1-CD1 3.41Å; V128-L130 VanDerWaalsContact CG1-CD1 3.41Å; V128-L130 HydrophobicContact CG1-CG 3.61Å; V128-I140 HydrophobicContact CG1-CG1 4.02Å; V128-I140 HydrophobicContact CG2-CG2 4.36Å
129	A	93.7	Very high	88.8	Confident	2 Å²	2	41.7 Å²	41.7	2%	0.017	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	108.7	174.3	0	0	0	0	0	109.1	Y116 G138 V139 L243	Y116-A129 WeakPolarHBondContact O-CA 3.47Å; A129-G138 WeakPolarHBondContact O-CA 3.31Å; A129-V139 PolarHBondContact N-O 2.87Å; A129-V139 PolarHBondContact O-N 3Å; A129-L243 HydrophobicContact CB-CD2 3.82Å; A129-L243 WeakPolarHBondContact O-CD2 3.32Å
130	L	93.6	Very high	88.9	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	152.4	-168.7	-65.3	172.6	0	0	0	111.7	L79 L81 Y116 V128 L136 R137 I140 L149 N242	L79-L130 HydrophobicContact CD1-CD1 4.12Å; L81-L130 HydrophobicContact CD1-CD1 3.92Å; L81-L130 HydrophobicContact CD2-CD1 4.1Å; Y116-L130 PolarHBondContact N-O 2.92Å; Y116-L130 PolarHBondContact O-N 2.91Å; V128-L130 HydrophobicContact CG1-CD1 3.41Å; V128-L130 VanDerWaalsContact CG1-CD1 3.41Å; V128-L130 HydrophobicContact CG1-CG 3.61Å; L130-L136 HydrophobicContact CB-CD2 4.33Å; L130-L136 HydrophobicContact CD1-CD2 4.19Å; L130-R137 CarbonylContact C-O 3.55Å; L130-R137 VanDerWaalsContact CA-O 3.3Å; L130-R137 WeakPolarHBondContact CA-O 3.34Å; L130-I140 HydrophobicContact CD2-CG1 4.48Å; L130-L149 HydrophobicContact CD2-CB 4.48Å; L130-L149 HydrophobicContact CD2-CD2 4.23Å; L130-N242 PolarHBondContact O-ND2 2.04Å
131	S	90.9	Very high	88.8	Confident	8 Å²	8	39.1 Å²	39.1	6%	0.056	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	144.6	162.4	169.3	0	0	0	0	109.4	C114 C133 G135 L136 R137 Q239	C114-S131 CarbonylContact O-C 3.6Å; C114-S131 VanDerWaalsContact O-CA 3.23Å; C114-S131 WeakPolarHBondContact O-CA 3.48Å; S131-C133 WeakPolarHBondContact OG-CB 3.48Å; S131-C133 PolarHBondContact OG-N 2.91Å; S131-C133 PolarHBondContact OG-SG 3.17Å; S131-G135 VanDerWaalsContact O-O 3.07Å; S131-L136 CarbonylContact O-C 3.59Å; S131-L136 VanDerWaalsContact O-CA 3.25Å; S131-L136 WeakPolarHBondContact O-CA 3.33Å; S131-R137 PolarHBondContact N-O 2.75Å; S131-R137 PolarHBondContact O-N 3.03Å; S131-Q239 VanDerWaalsContact CB-OE1 3.24Å
132	T	89.9	Confident	88.7	Confident	34 Å²	34	34.5 Å²	34.5	21%	0.209	22%	0.219	C	C	.	.			trans	-107.7	7.2	169	72.5	0	0	0	0	112.1	Y68 C114 Y116 S134 G135 L136	Y68-T132 HydrophobicContact CE2-CG2 4.47Å; C114-T132 WeakPolarHBondContact CB-OG1 3.22Å; C114-T132 PolarHBondContact O-N 2.86Å; Y116-T132 HydrophobicContact CD2-CG2 3.82Å; Y116-T132 HydrophobicContact CE2-CG2 3.42Å; Y116-T132 VanDerWaalsContact CE2-CG2 3.42Å; Y116-T132 WeakPolarHBondContact CE2-OG1 3.43Å; T132-S134 VanDerWaalsContact C-N 3.34Å; T132-S134 PolarHBondContact O-N 3.13Å; T132-G135 CarbonylContact C-O 3.57Å; T132-G135 WeakPolarHBondContact CA-O 3.18Å; T132-L136 HydrophobicContact CG2-CD2 3.73Å
133	C	84.3	Confident	88.6	Confident	46 Å²	46	36.7 Å²	36.7	31%	0.311	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-38.7	-167	-58.9	0	0	0	0	112.8	C114 S131	C114-C133 HydrophobicContact CB-CB 3.98Å; C114-C133 WeakPolarHBondContact CB-SG 3.49Å; C114-C133 WeakPolarHBondContact SG-CA 3.11Å; C114-C133 WeakPolarHBondContact SG-CB 3.43Å; C114-C133 CovalentContact SG-SG 2.03Å; C114-C133 PolarHBondContact SG-SG 3.21Å; S131-C133 WeakPolarHBondContact OG-CB 3.48Å; S131-C133 PolarHBondContact OG-N 2.91Å; S131-C133 PolarHBondContact OG-SG 3.17Å
134	S	82	Confident	88.2	Confident	79 Å²	79	38.8 Å²	38.8	55%	0.552	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-135.2	53.1	-179.1	-61	0	0	0	0	109.4	T132	T132-S134 VanDerWaalsContact C-N 3.34Å; T132-S134 PolarHBondContact O-N 3.13Å
135	G	85.4	Confident	88.5	Confident	27 Å²	27	31.9 Å²	31.9	28%	0.278	19%	0.191	S	C	.	.	S	Bend	trans	81.7	173	-164.1	0	0	0	0	0	112.2	S131 T132 R137	S131-G135 VanDerWaalsContact O-O 3.07Å; T132-G135 CarbonylContact C-O 3.57Å; T132-G135 WeakPolarHBondContact CA-O 3.18Å; G135-R137 PolarHBondContact O-N 3.22Å
136	L	90.3	Very high	89.1	Confident	5 Å²	5	30.3 Å²	30.3	3%	0.026	17%	0.171	C	C	.	.	S	Bend	trans	-71.2	119.8	177.2	-79.5	172.6	0	0	0	112.2	P41 Y68 L130 S131 T132 L149 H160	P41-L136 HydrophobicContact CB-CD1 3.47Å; P41-L136 VanDerWaalsContact CB-CD1 3.47Å; P41-L136 HydrophobicContact CG-CD1 3.72Å; Y68-L136 HydrophobicContact CD1-CD1 3.64Å; Y68-L136 HydrophobicContact CD2-CD1 4.33Å; Y68-L136 HydrophobicContact CE1-CD1 3.59Å; Y68-L136 HydrophobicContact CE1-CG 4.28Å; Y68-L136 HydrophobicContact CE2-CD1 4.3Å; Y68-L136 HydrophobicContact CE2-CD2 4.17Å; Y68-L136 HydrophobicContact CG-CD1 4.01Å; L130-L136 HydrophobicContact CB-CD2 4.33Å; L130-L136 HydrophobicContact CD1-CD2 4.19Å; S131-L136 CarbonylContact O-C 3.59Å; S131-L136 VanDerWaalsContact O-CA 3.25Å; S131-L136 WeakPolarHBondContact O-CA 3.33Å; T132-L136 HydrophobicContact CG2-CD2 3.73Å; L136-L149 HydrophobicContact CB-CD2 3.85Å; L136-L149 HydrophobicContact CD1-CD2 4.47Å; L136-H160 PolarHBondContact N-NE2 2.96Å; L136-H160 PolarHBondContact O-CD2 2.85Å; L136-H160 PolarHBondContact O-NE2 3.37Å
137	R	92	Very high	89.3	Confident	83 Å²	83	30.1 Å²	30.1	31%	0.313	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	139.4	173.7	173.3	179	-79.5	142.3	-2	110.7	L130 S131 G135 L149 E150 Q239	L130-R137 CarbonylContact C-O 3.55Å; L130-R137 VanDerWaalsContact CA-O 3.3Å; L130-R137 WeakPolarHBondContact CA-O 3.34Å; S131-R137 PolarHBondContact N-O 2.75Å; S131-R137 PolarHBondContact O-N 3.03Å; G135-R137 PolarHBondContact O-N 3.22Å; R137-L149 CarbonylContact C-O 3.13Å; R137-L149 VanDerWaalsContact CA-O 3.29Å; R137-L149 WeakPolarHBondContact CA-O 3.42Å; R137-E150 IonicContact CZ-OE2 2.87Å; R137-E150 IonicContact NE-OE1 2.87Å; R137-E150 IonicContact NE-OE2 2.67Å; R137-E150 PolarHBondContact NE-OE2 3.16Å; R137-E150 IonicContact NH2-OE2 3.71Å; R137-E150 PolarHBondContact NH2-OE2 3.34Å; R137-Q239 PolarHBondContact O-NE2 2.85Å
138	G	93	Very high	89.6	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.6	-149.1	169.2	0	0	0	0	0	112.8	A129 L149 N340	A129-G138 WeakPolarHBondContact O-CA 3.31Å; G138-L149 PolarHBondContact N-O 3.02Å; G138-L149 PolarHBondContact O-N 3.01Å; G138-N340 WeakPolarHBondContact CA-OD1 3.2Å; G138-N340 PolarHBondContact O-ND2 3.04Å; G138-N340 PolarHBondContact O-OD1 2.6Å
139	V	94.3	Very high	89.6	Confident	3 Å²	3	28.5 Å²	28.5	2%	0.018	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	140.9	-172.8	-179.4	0	0	0	0	112.3	A129 T146 F147 L165 L243 Y247 N340 V380	A129-V139 PolarHBondContact N-O 2.87Å; A129-V139 PolarHBondContact O-N 3Å; V139-T146 HydrophobicContact CG1-CG2 3.37Å; V139-F147 WeakPolarHBondContact CA-O 3.43Å; V139-L165 HydrophobicContact CG2-CD1 4.45Å; V139-L165 HydrophobicContact CG2-CD2 4.24Å; V139-L243 HydrophobicContact CB-CD2 4.34Å; V139-L243 HydrophobicContact CG2-CD2 4.21Å; V139-Y247 WeakPolarHBondContact CG2-OH 3.43Å; V139-N340 HydrophobicContact CG2-CB 3.73Å; V139-V380 HydrophobicContact CG1-CG1 4.01Å; V139-V380 HydrophobicContact CG1-CG2 4.42Å
140	I	93.9	Very high	89.4	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	116.7	173.8	-61.9	164.1	0	0	0	107.7	L70 I72 L79 V120 V128 L130 L142 F147 L149	L70-I140 HydrophobicContact CD2-CD1 3.51Å; I72-I140 HydrophobicContact CD1-CG2 4.2Å; L79-I140 HydrophobicContact CD1-CD1 3.79Å; L79-I140 HydrophobicContact CD1-CG1 4.48Å; L79-I140 HydrophobicContact CD2-CD1 4.45Å; V120-I140 HydrophobicContact CG2-CG2 4.25Å; V128-I140 HydrophobicContact CG1-CG1 4.02Å; V128-I140 HydrophobicContact CG2-CG2 4.36Å; L130-I140 HydrophobicContact CD2-CG1 4.48Å; I140-L142 HydrophobicContact CG2-CB 4.45Å; I140-F147 HydrophobicContact CB-CB 4.46Å; I140-F147 PolarHBondContact N-O 2.64Å; I140-F147 PolarHBondContact O-N 3.42Å; I140-L149 HydrophobicContact CD1-CD2 4.44Å
141	L	90.4	Very high	89.2	Confident	2 Å²	2	30 Å²	30	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	117.8	164.9	178.6	72.3	0	0	0	108.7	S126 V127 V380 Q381	S126-L141 WeakPolarHBondContact CA-O 3.43Å; S126-L141 WeakPolarHBondContact CB-O 3.25Å; V127-L141 HydrophobicContact CB-CB 4.17Å; V127-L141 HydrophobicContact CB-CD2 4.31Å; V127-L141 HydrophobicContact CG2-CD2 4.22Å; V127-L141 PolarHBondContact N-O 3.19Å; V127-L141 PolarHBondContact O-N 2.95Å; L141-V380 HydrophobicContact CB-CG2 3.99Å; L141-V380 HydrophobicContact CD1-CG2 4.12Å; L141-V380 HydrophobicContact CD2-CG2 4.41Å; L141-V380 HydrophobicContact CG-CG2 4.4Å; L141-Q381 HydrophobicContact CD2-CG 3.62Å
142	L	89.4	Confident	89	Confident	9 Å²	9	30.5 Å²	30.5	5%	0.047	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	124.8	176.6	176.7	64.4	0	0	0	109	I72 H77 V120 Y123 I140 N144 E145 F147	I72-L142 HydrophobicContact CB-CD2 4.3Å; I72-L142 HydrophobicContact CD1-CD2 4.07Å; I72-L142 HydrophobicContact CG2-CD2 4.01Å; H77-L142 VanDerWaalsContact CE1-CD2 3.5Å; H77-L142 WeakPolarHBondContact CE1-CD2 3.46Å; V120-L142 HydrophobicContact CB-CD1 4.24Å; V120-L142 HydrophobicContact CG1-CD1 4.08Å; V120-L142 HydrophobicContact CG2-CD1 4.29Å; Y123-L142 HydrophobicContact CD1-CD1 3.69Å; Y123-L142 HydrophobicContact CD2-CD1 3.71Å; Y123-L142 HydrophobicContact CE1-CD1 3.96Å; Y123-L142 HydrophobicContact CE2-CD1 3.98Å; Y123-L142 HydrophobicContact CG-CD1 3.55Å; I140-L142 HydrophobicContact CG2-CB 4.45Å; L142-N144 PolarHBondContact O-N 3.03Å; L142-E145 PolarHBondContact N-O 2.91Å; L142-E145 PolarHBondContact O-N 2.74Å; L142-F147 HydrophobicContact CB-CD2 4.42Å; L142-F147 HydrophobicContact CB-CE2 4.19Å
143	E	84.8	Confident	88.5	Confident	123 Å²	123	30.6 Å²	30.6	58%	0.575	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.2	-110.1	-170.9	-58.2	175.2	175.8	0	0	110.4	Y123	Y123-E143 HydrophobicContact CD1-CG 3.81Å; Y123-E143 HydrophobicContact CE1-CG 3.6Å; Y123-E143 VanDerWaalsContact CE1-OE1 3.24Å; Y123-E143 WeakPolarHBondContact CE1-OE1 3.37Å
144	N	79.8	Confident	87.9	Confident	93 Å²	93	31.6 Å²	31.6	50%	0.497	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	14	-177.1	-58.9	-5.8	0	0	0	112.4	L142 N366	L142-N144 PolarHBondContact O-N 3.03Å; N144-N366 WeakPolarHBondContact CB-O 3.15Å; N144-N366 PolarHBondContact ND2-O 2.83Å; N144-N366 PolarHBondContact OD1-O 3.47Å
145	E	86.9	Confident	87.6	Confident	56 Å²	56	29.5 Å²	29.5	26%	0.262	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138.8	179.8	-62.7	-149.8	117.8	0	0	112.7	L142 F147 L164 K166	L142-E145 PolarHBondContact N-O 2.91Å; L142-E145 PolarHBondContact O-N 2.74Å; E145-F147 HydrophobicContact CB-CE2 3.68Å; E145-F147 HydrophobicContact CB-CZ 3.91Å; E145-L164 HydrophobicContact CB-CD2 4.04Å; E145-L164 HydrophobicContact CG-CD2 4.48Å; E145-K166 IonicContact OE1-NZ 3.83Å; E145-K166 PolarHBondContact OE1-NZ 2.94Å
146	T	89.8	Confident	87	Confident	20 Å²	20	34.9 Å²	34.9	12%	0.123	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	121.2	179.6	-49.2	0	0	0	0	110.1	V139 L165 V380	V139-T146 HydrophobicContact CG1-CG2 3.37Å; T146-L165 HydrophobicContact CG2-CB 4.15Å; T146-L165 HydrophobicContact CG2-CD2 4Å; T146-L165 PolarHBondContact O-N 3.03Å; T146-V380 HydrophobicContact CG2-CB 4.42Å; T146-V380 HydrophobicContact CG2-CG1 3.87Å; T146-V380 HydrophobicContact CG2-CG2 3.7Å
147	F	91.7	Very high	86.4	Confident	8 Å²	8	37.9 Å²	37.9	4%	0.035	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	133.5	180	-59.8	-91.7	0	0	0	110.9	I72 V139 I140 L142 E145 L162 Y163 L164	I72-F147 HydrophobicContact CG2-CD1 4.36Å; I72-F147 HydrophobicContact CG2-CD2 4.45Å; I72-F147 HydrophobicContact CG2-CE1 3.94Å; I72-F147 HydrophobicContact CG2-CE2 4.05Å; I72-F147 HydrophobicContact CG2-CZ 3.79Å; V139-F147 WeakPolarHBondContact CA-O 3.43Å; I140-F147 HydrophobicContact CB-CB 4.46Å; I140-F147 PolarHBondContact N-O 2.64Å; I140-F147 PolarHBondContact O-N 3.42Å; L142-F147 HydrophobicContact CB-CD2 4.42Å; L142-F147 HydrophobicContact CB-CE2 4.19Å; E145-F147 HydrophobicContact CB-CE2 3.68Å; E145-F147 HydrophobicContact CB-CZ 3.91Å; F147-L162 HydrophobicContact CB-CD1 3.78Å; F147-L162 HydrophobicContact CD1-CD1 4.37Å; F147-L162 HydrophobicContact CD1-CD2 4.49Å; F147-L162 HydrophobicContact CD1-CG 4.28Å; F147-L162 HydrophobicContact CG-CD1 4.36Å; F147-Y163 CarbonylContact C-O 3.57Å; F147-Y163 VanDerWaalsContact CA-O 3.25Å; F147-Y163 WeakPolarHBondContact CA-O 3.35Å; F147-L164 HydrophobicContact CD1-CD2 3.91Å; F147-L164 HydrophobicContact CD1-CG 4.32Å; F147-L164 HydrophobicContact CE1-CD2 3.53Å; F147-L164 HydrophobicContact CE1-CG 4.06Å; F147-L164 HydrophobicContact CZ-CD2 3.87Å
148	G	92.2	Very high	85.9	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	138.7	166.6	0	0	0	0	0	109.9	L162 Y163 L165	G148-L162 WeakPolarHBondContact O-CA 3.42Å; G148-Y163 PolarHBondContact N-O 2.91Å; G148-Y163 WeakPolarHBondContact O-CD1 3.09Å; G148-Y163 PolarHBondContact O-N 3.43Å; G148-L165 VanDerWaalsContact N-CD1 3.25Å
149	L	92.8	Very high	85.8	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	128.5	174.2	-170.5	69.9	0	0	0	108.6	V39 L70 L130 L136 R137 G138 I140 H160 A161 L162 N340	V39-L149 HydrophobicContact CG2-CD1 3.86Å; L70-L149 HydrophobicContact CD2-CD1 4.44Å; L70-L149 HydrophobicContact CD2-CD2 4.35Å; L130-L149 HydrophobicContact CD2-CB 4.48Å; L130-L149 HydrophobicContact CD2-CD2 4.23Å; L136-L149 HydrophobicContact CB-CD2 3.85Å; L136-L149 HydrophobicContact CD1-CD2 4.47Å; R137-L149 CarbonylContact C-O 3.13Å; R137-L149 VanDerWaalsContact CA-O 3.29Å; R137-L149 WeakPolarHBondContact CA-O 3.42Å; G138-L149 PolarHBondContact N-O 3.02Å; G138-L149 PolarHBondContact O-N 3.01Å; I140-L149 HydrophobicContact CD1-CD2 4.44Å; L149-H160 HydrophobicContact CD1-CB 3.57Å; L149-H160 HydrophobicContact CG-CB 4.2Å; L149-A161 WeakPolarHBondContact CA-O 3.02Å; L149-L162 HydrophobicContact CD1-CB 4.25Å; L149-L162 HydrophobicContact CD1-CD1 4.05Å; L149-N340 PolarHBondContact O-ND2 3.33Å
150	E	90.8	Very high	85.7	Confident	9 Å²	9	40.4 Å²	40.4	4%	0.042	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	140.7	179.5	-73.9	-91.8	177.7	0	0	109.9	F29 R137 H160 A161 Y163	F29-E150 HydrophobicContact CE2-CB 4.18Å; F29-E150 HydrophobicContact CZ-CB 3.77Å; R137-E150 IonicContact CZ-OE2 2.87Å; R137-E150 IonicContact NE-OE1 2.87Å; R137-E150 IonicContact NE-OE2 2.67Å; R137-E150 PolarHBondContact NE-OE2 3.16Å; R137-E150 IonicContact NH2-OE2 3.71Å; R137-E150 PolarHBondContact NH2-OE2 3.34Å; E150-H160 CarbonylContact O-C 3.56Å; E150-H160 WeakPolarHBondContact O-CA 3.32Å; E150-H160 WeakPolarHBondContact O-CB 3.12Å; E150-A161 PolarHBondContact N-O 2.79Å; E150-A161 PolarHBondContact O-N 3.31Å; E150-Y163 HydrophobicContact CB-CE1 4.33Å; E150-Y163 HydrophobicContact CG-CE1 3.78Å
151	P	89.1	Confident	85.5	Confident	26 Å²	26	40.4 Å²	40.4	17%	0.169	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	138.4	172.9	29.7	-34.8	0	0	0	110.8	F29 P153 H160	F29-P151 WeakPolarHBondContact CZ-O 3.47Å; P151-P153 WeakPolarHBondContact O-CD 3.4Å; P151-H160 VanDerWaalsContact CA-CD2 3.41Å; P151-H160 WeakPolarHBondContact CA-CD2 3.38Å
152	V	86.5	Confident	85.6	Confident	17 Å²	17	40.5 Å²	40.5	10%	0.103	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-70	124.9	172	171.1	0	0	0	0	109.1	F26 F29 I38 A154 S155 E159	F26-V152 HydrophobicContact CD2-CG1 3.61Å; F26-V152 HydrophobicContact CE2-CB 4.49Å; F26-V152 HydrophobicContact CE2-CG1 3.57Å; F26-V152 HydrophobicContact CE2-CG2 4.14Å; F29-V152 HydrophobicContact CE1-CG2 4.49Å; I38-V152 HydrophobicContact CD1-CG2 3.88Å; V152-A154 PolarHBondContact O-N 3.09Å; V152-S155 PolarHBondContact O-N 3.28Å; V152-E159 HydrophobicContact CB-CB 4.15Å; V152-E159 WeakPolarHBondContact CB-O 3.49Å; V152-E159 HydrophobicContact CG2-CB 3.95Å; V152-E159 PolarHBondContact N-O 2.84Å
153	P	78.4	Confident	85.6	Confident	36 Å²	36	40.4 Å²	40.4	23%	0.234	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	133.1	177.6	-27.7	35	0	0	0	112	D25 F29 P151 S155	D25-P153 WeakPolarHBondContact OD2-CB 3.44Å; F29-P153 HydrophobicContact CB-CG 3.97Å; F29-P153 HydrophobicContact CD1-CG 4.32Å; F29-P153 HydrophobicContact CD2-CG 3.81Å; F29-P153 HydrophobicContact CE2-CG 4.34Å; F29-P153 HydrophobicContact CG-CG 3.8Å; P151-P153 WeakPolarHBondContact O-CD 3.4Å; P153-S155 PolarHBondContact O-N 2.81Å
154	A	73.4	Confident	85.7	Confident	67 Å²	67	36.3 Å²	36.3	55%	0.554	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	16.5	-180	0	0	0	0	0	117.1	N22 V152 T156	N22-A154 WeakPolarHBondContact OD1-CB 3.27Å; V152-A154 PolarHBondContact O-N 3.09Å; A154-T156 PolarHBondContact O-N 3.04Å
155	S	75.6	Confident	86	Confident	35 Å²	35	31.9 Å²	31.9	25%	0.245	19%	0.19	C	C	.	.			trans	-62.9	125.8	177	176.2	0	0	0	0	111.7	V152 P153 T157 E159	V152-S155 PolarHBondContact O-N 3.28Å; P153-S155 PolarHBondContact O-N 2.81Å; S155-T157 VanDerWaalsContact C-N 3.29Å; S155-T157 PolarHBondContact OG-N 3.17Å; S155-E159 WeakPolarHBondContact OG-CB 3.45Å; S155-E159 PolarHBondContact OG-N 2.87Å; S155-E159 PolarHBondContact OG-OE2 2.89Å
156	T	72.3	Confident	85.6	Confident	141 Å²	141	33.5 Å²	33.5	87%	0.865	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-3.2	175.4	54.7	0	0	0	0	113.3	A154	A154-T156 PolarHBondContact O-N 3.04Å
157	T	77.2	Confident	84.9	Confident	68 Å²	68	34.3 Å²	34.3	42%	0.417	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.3	20.8	-173	74.3	0	0	0	0	114.5	K40 S155 E159	K40-T157 PolarHBondContact NZ-OG1 2.85Å; S155-T157 VanDerWaalsContact C-N 3.29Å; S155-T157 PolarHBondContact OG-N 3.17Å; T157-E159 WeakPolarHBondContact OG1-CG 3.49Å; T157-E159 PolarHBondContact OG1-OE1 2.97Å; T157-E159 PolarHBondContact OG1-OE2 2.72Å; T157-E159 VanDerWaalsContact OG1-OE2 3.06Å
158	N	82.4	Confident	83.9	Confident	83 Å²	83	34.2 Å²	34.2	44%	0.444	20%	0.2	S	C	.	.			trans	55.4	50.3	179.7	-166.5	62.4	0	0	0	112.1	P41 H160	P41-N158 PolarHBondContact O-ND2 3.42Å; N158-H160 PolarHBondContact O-ND1 2.87Å; N158-H160 PolarHBondContact OD1-CE1 2.95Å
159	E	89.8	Confident	82.6	Confident	53 Å²	53	36.6 Å²	36.6	25%	0.248	21%	0.211	C	C	.	.			trans	-87.8	143.8	175.5	-75	153.5	152.3	0	0	112.1	I38 K40 V152 S155 T157	I38-E159 HydrophobicContact CG2-CB 3.88Å; I38-E159 HydrophobicContact CG2-CG 3.82Å; K40-E159 HydrophobicContact CD-CG 4.06Å; K40-E159 VanDerWaalsContact CE-CG 3.4Å; K40-E159 WeakPolarHBondContact CE-OE1 3.33Å; K40-E159 HydrophobicContact CG-CG 3.96Å; K40-E159 VanDerWaalsContact NZ-CD 3.32Å; K40-E159 IonicContact NZ-OE1 3.82Å; K40-E159 PolarHBondContact NZ-OE1 2.9Å; V152-E159 HydrophobicContact CB-CB 4.15Å; V152-E159 WeakPolarHBondContact CB-O 3.49Å; V152-E159 HydrophobicContact CG2-CB 3.95Å; V152-E159 PolarHBondContact N-O 2.84Å; S155-E159 WeakPolarHBondContact OG-CB 3.45Å; S155-E159 PolarHBondContact OG-N 2.87Å; S155-E159 PolarHBondContact OG-OE2 2.89Å; T157-E159 WeakPolarHBondContact OG1-CG 3.49Å; T157-E159 PolarHBondContact OG1-OE1 2.97Å; T157-E159 PolarHBondContact OG1-OE2 2.72Å; T157-E159 VanDerWaalsContact OG1-OE2 3.06Å
160	H	91.9	Very high	80.6	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.009	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	142.1	178.7	-65	77.3	0	0	0	110.1	I38 V39 P41 L136 L149 E150 P151 N158	I38-H160 WeakPolarHBondContact CA-O 2.88Å; V39-H160 HydrophobicContact CG2-CB 3.96Å; V39-H160 PolarHBondContact N-O 3.2Å; V39-H160 PolarHBondContact O-N 3.39Å; P41-H160 WeakPolarHBondContact CD-ND1 3.3Å; P41-H160 HydrophobicContact CG-CB 4.44Å; P41-H160 WeakPolarHBondContact CG-ND1 3.41Å; L136-H160 PolarHBondContact N-NE2 2.96Å; L136-H160 PolarHBondContact O-CD2 2.85Å; L136-H160 PolarHBondContact O-NE2 3.37Å; L149-H160 HydrophobicContact CD1-CB 3.57Å; L149-H160 HydrophobicContact CG-CB 4.2Å; E150-H160 CarbonylContact O-C 3.56Å; E150-H160 WeakPolarHBondContact O-CA 3.32Å; E150-H160 WeakPolarHBondContact O-CB 3.12Å; P151-H160 VanDerWaalsContact CA-CD2 3.41Å; P151-H160 WeakPolarHBondContact CA-CD2 3.38Å; N158-H160 PolarHBondContact O-ND1 2.87Å; N158-H160 PolarHBondContact OD1-CE1 2.95Å
161	A	90.8	Very high	78.8	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	120.8	165.9	0	0	0	0	0	108.9	F29 L33 Y36 I38 L149 E150	F29-A161 HydrophobicContact CE1-CB 3.79Å; F29-A161 HydrophobicContact CZ-CB 4.11Å; L33-A161 HydrophobicContact CD1-CB 4.35Å; Y36-A161 HydrophobicContact CD2-CB 4.49Å; I38-A161 HydrophobicContact CD1-CB 4.36Å; L149-A161 WeakPolarHBondContact CA-O 3.02Å; E150-A161 PolarHBondContact N-O 2.79Å; E150-A161 PolarHBondContact O-N 3.31Å
162	L	91.8	Very high	77	Confident	5 Å²	5	51.8 Å²	51.8	3%	0.026	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	120.9	171	-178.9	78.8	0	0	0	108.6	Y36 S37 V39 L70 I72 F147 G148 L149	Y36-L162 CarbonylContact C-O 3.52Å; Y36-L162 WeakPolarHBondContact CA-O 3.45Å; S37-L162 PolarHBondContact N-O 3.34Å; S37-L162 PolarHBondContact O-N 3.32Å; S37-L162 PolarHBondContact OG-O 2.87Å; V39-L162 HydrophobicContact CG1-CB 3.98Å; V39-L162 HydrophobicContact CG1-CD2 4.05Å; V39-L162 HydrophobicContact CG2-CB 3.87Å; L70-L162 HydrophobicContact CD2-CD1 4.46Å; I72-L162 HydrophobicContact CB-CD2 4.32Å; I72-L162 HydrophobicContact CG1-CD2 3.91Å; I72-L162 HydrophobicContact CG2-CD2 4.24Å; F147-L162 HydrophobicContact CB-CD1 3.78Å; F147-L162 HydrophobicContact CD1-CD1 4.37Å; F147-L162 HydrophobicContact CD1-CD2 4.49Å; F147-L162 HydrophobicContact CD1-CG 4.28Å; F147-L162 HydrophobicContact CG-CD1 4.36Å; G148-L162 WeakPolarHBondContact O-CA 3.42Å; L149-L162 HydrophobicContact CD1-CB 4.25Å; L149-L162 HydrophobicContact CD1-CD1 4.05Å
163	Y	89.8	Confident	75.7	Confident	7 Å²	7	51.9 Å²	51.9	3%	0.027	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	157.6	-174.6	59.2	-87.8	0	0	0	111.5	L33 K35 F147 G148 E150 L165 N338 N340	L33-Y163 HydrophobicContact CD1-CD1 3.65Å; L33-Y163 HydrophobicContact CD1-CE1 4.02Å; L33-Y163 HydrophobicContact CD1-CG 4.05Å; L33-Y163 HydrophobicContact CD2-CD1 4.05Å; L33-Y163 HydrophobicContact CD2-CD2 3.7Å; L33-Y163 HydrophobicContact CD2-CE1 4.24Å; L33-Y163 HydrophobicContact CD2-CE2 3.87Å; L33-Y163 HydrophobicContact CD2-CG 3.77Å; K35-Y163 WeakPolarHBondContact O-CB 3.41Å; F147-Y163 CarbonylContact C-O 3.57Å; F147-Y163 VanDerWaalsContact CA-O 3.25Å; F147-Y163 WeakPolarHBondContact CA-O 3.35Å; G148-Y163 PolarHBondContact N-O 2.91Å; G148-Y163 WeakPolarHBondContact O-CD1 3.09Å; G148-Y163 PolarHBondContact O-N 3.43Å; E150-Y163 HydrophobicContact CB-CE1 4.33Å; E150-Y163 HydrophobicContact CG-CE1 3.78Å; Y163-L165 HydrophobicContact CD2-CD1 4.44Å; Y163-L165 HydrophobicContact CE2-CD1 3.83Å; Y163-N338 PolarHBondContact OH-OD1 3.03Å; Y163-N340 PolarHBondContact OH-ND2 3.48Å
164	L	87.9	Confident	74.5	Confident	36 Å²	36	52.5 Å²	52.5	19%	0.188	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	128.4	174.7	-76.1	161.2	0	0	0	109.7	E145 F147 K166 D167 S168	E145-L164 HydrophobicContact CB-CD2 4.04Å; E145-L164 HydrophobicContact CG-CD2 4.48Å; F147-L164 HydrophobicContact CD1-CD2 3.91Å; F147-L164 HydrophobicContact CD1-CG 4.32Å; F147-L164 HydrophobicContact CE1-CD2 3.53Å; F147-L164 HydrophobicContact CE1-CG 4.06Å; F147-L164 HydrophobicContact CZ-CD2 3.87Å; L164-K166 VanDerWaalsContact C-N 3.34Å; L164-K166 HydrophobicContact CB-CG 4.16Å; L164-K166 PolarHBondContact O-N 2.9Å; L164-D167 HydrophobicContact CB-CB 4.22Å; L164-D167 PolarHBondContact O-N 3.02Å; L164-S168 PolarHBondContact O-N 2.67Å
165	L	84.8	Confident	73.2	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-62.1	-41.5	-173.7	-123.5	72	0	0	0	112.6	V139 T146 G148 Y163 D167 S168 N340 T344 G378	V139-L165 HydrophobicContact CG2-CD1 4.45Å; V139-L165 HydrophobicContact CG2-CD2 4.24Å; T146-L165 HydrophobicContact CG2-CB 4.15Å; T146-L165 HydrophobicContact CG2-CD2 4Å; T146-L165 PolarHBondContact O-N 3.03Å; G148-L165 VanDerWaalsContact N-CD1 3.25Å; Y163-L165 HydrophobicContact CD2-CD1 4.44Å; Y163-L165 HydrophobicContact CE2-CD1 3.83Å; L165-D167 PolarHBondContact O-N 2.83Å; L165-S168 WeakPolarHBondContact O-CB 3.48Å; L165-S168 PolarHBondContact O-N 2.75Å; L165-S168 PolarHBondContact O-OG 3.26Å; L165-N340 HydrophobicContact CD1-CB 3.86Å; L165-N340 HydrophobicContact CD2-CB 4.4Å; L165-T344 HydrophobicContact CD2-CG2 4.07Å; L165-G378 WeakPolarHBondContact CD2-O 3.28Å
166	K	78	Confident	71.5	Confident	91 Å²	91	48 Å²	48	40%	0.396	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-56.2	-26.8	172.4	65.3	-178.9	-175.1	-167.5	0	114.7	E145 L164 G377	E145-K166 IonicContact OE1-NZ 3.83Å; E145-K166 PolarHBondContact OE1-NZ 2.94Å; L164-K166 VanDerWaalsContact C-N 3.34Å; L164-K166 HydrophobicContact CB-CG 4.16Å; L164-K166 PolarHBondContact O-N 2.9Å; K166-G377 WeakPolarHBondContact CA-O 3.19Å; K166-G377 WeakPolarHBondContact CB-O 3.46Å
167	D	76.7	Confident	69.9	Low	36 Å²	36	41.4 Å²	41.4	19%	0.193	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-92.3	-9.5	-179.9	-74.2	18.2	0	0	0	110.7	P34 K35 L164 L165 H169	P34-D167 VanDerWaalsContact CD-O 3.23Å; P34-D167 WeakPolarHBondContact CD-O 3.44Å; P34-D167 WeakPolarHBondContact CG-O 3.2Å; K35-D167 WeakPolarHBondContact CD-OD2 3.16Å; K35-D167 IonicContact NZ-OD2 3.7Å; K35-D167 PolarHBondContact NZ-OD2 2.9Å; L164-D167 HydrophobicContact CB-CB 4.22Å; L164-D167 PolarHBondContact O-N 3.02Å; L165-D167 PolarHBondContact O-N 2.83Å; D167-H169 VanDerWaalsContact C-N 3.29Å; D167-H169 PolarHBondContact O-N 3.46Å
168	S	70.1	Confident	67.8	Low	7 Å²	7	41.8 Å²	41.8	5%	0.049	23%	0.231	C	C	.	.	S	Bend	trans	-84.4	5.3	-172.5	74.3	0	0	0	0	115.4	L164 L165 N338	L164-S168 PolarHBondContact O-N 2.67Å; L165-S168 WeakPolarHBondContact O-CB 3.48Å; L165-S168 PolarHBondContact O-N 2.75Å; L165-S168 PolarHBondContact O-OG 3.26Å; S168-N338 VanDerWaalsContact CB-ND2 3.26Å; S168-N338 WeakPolarHBondContact CB-ND2 3.37Å; S168-N338 PolarHBondContact O-ND2 3.35Å; S168-N338 PolarHBondContact OG-ND2 3.08Å
169	H	65.7	Low	65.5	Low	49 Å²	49	39.6 Å²	39.6	23%	0.227	23%	0.229	C	C	.	.			trans	-139.7	128.6	171.1	-156.7	-80.9	0	0	0	109	D167 E171 V173 F341	D167-H169 VanDerWaalsContact C-N 3.29Å; D167-H169 PolarHBondContact O-N 3.46Å; H169-E171 PolarHBondContact ND1-O 3.37Å; H169-V173 WeakPolarHBondContact CE1-CG2 3.4Å; H169-V173 WeakPolarHBondContact ND1-CG2 3.13Å; H169-F341 HydrophobicContact CB-CD2 4.4Å; H169-F341 HydrophobicContact CB-CE1 4.25Å; H169-F341 HydrophobicContact CB-CE2 3.93Å; H169-F341 HydrophobicContact CB-CZ 3.85Å; H169-F341 AromaticContact CD2-CE1 3.76Å; H169-F341 AromaticContact CG-CZ 3.99Å
170	S	49.7	Very low	62.7	Low	107 Å²	107	44.8 Å²	44.8	75%	0.748	25%	0.253	S	S	*	.			trans	-97.7	-25.5	-170.3	55.7	0	0	0	0	115
171	E	54	Low	59.7	Low	135 Å²	135	49.5 Å²	49.5	63%	0.631	29%	0.292	S	S	*	.	S	Bend	trans	-79.2	146.5	176.4	-64.9	-59.2	140.9	0	0	110.8	H169 V173	H169-E171 PolarHBondContact ND1-O 3.37Å; E171-V173 WeakPolarHBondContact O-CG2 3.03Å; E171-V173 PolarHBondContact O-N 3.5Å
172	P	50.6	Low	56.7	Low	113 Å²	113	55 Å²	55	73%	0.734	33%	0.326	S	S	*	.			trans	-63.4	104.3	171	27	-32.8	0	0	0	109.6
173	V	58.3	Low	53.8	Low	19 Å²	19	59.8 Å²	59.8	12%	0.115	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-90.3	116.5	178.6	-178.9	0	0	0	0	110.2	H169 E171 L314 F341 G375 A376	H169-V173 WeakPolarHBondContact CE1-CG2 3.4Å; H169-V173 WeakPolarHBondContact ND1-CG2 3.13Å; E171-V173 WeakPolarHBondContact O-CG2 3.03Å; E171-V173 PolarHBondContact O-N 3.5Å; V173-L314 HydrophobicContact CB-CD1 4.47Å; V173-L314 HydrophobicContact CG1-CB 4.28Å; V173-L314 HydrophobicContact CG1-CD1 3.54Å; V173-L314 HydrophobicContact CG1-CG 3.71Å; V173-L314 HydrophobicContact CG2-CD1 4.04Å; V173-F341 HydrophobicContact CG2-CZ 4.27Å; V173-G375 VanDerWaalsContact O-CA 3.24Å; V173-G375 WeakPolarHBondContact O-CA 3.46Å; V173-A376 HydrophobicContact CB-CB 4.01Å; V173-A376 HydrophobicContact CG1-CB 3.52Å; V173-A376 PolarHBondContact O-N 3.42Å; V173-A376 VanDerWaalsContact O-N 3.15Å
174	T	53.5	Low	50.6	Low	48 Å²	48	66.2 Å²	66.2	29%	0.294	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-92.9	140.9	164.2	-11.8	0	0	0	0	108.5	G311 V313	T174-G311 PolarHBondContact OG1-O 3.16Å; T174-V313 WeakPolarHBondContact O-CA 3.34Å
175	C	46.5	Very low	47.6	Very low	9 Å²	9	69.8 Å²	69.8	6%	0.061	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-62.2	159.6	145.5	-156	0	0	0	0	107.7	V177 H348 E349 H358 A374 D609	C175-V177 HydrophobicContact CB-CB 4.46Å; C175-V177 HydrophobicContact CB-CG2 4.04Å; C175-V177 PolarHBondContact O-N 2.6Å; C175-H348 PolarHBondContact SG-NE2 2.93Å; C175-H348 VanDerWaalsContact SG-NE2 3.42Å; C175-E349 PolarHBondContact SG-OE1 3.06Å; C175-H358 WeakPolarHBondContact CB-CE1 3.23Å; C175-A374 PolarHBondContact N-O 2Å; C175-D609 PolarHBondContact SG-OD2 3.46Å; C175-D609 VanDerWaalsContact SG-OD2 3.38Å
176	G	39	Very low	44.8	Very low	0 Å²	0	77.5 Å²	77.5	0%	0	47%	0.467	C	S	.	.	S	Bend	trans	-66	-5.6	179	0	0	0	0	0	113.9	V178 T608 D609	G176-V178 PolarHBondContact O-N 3.17Å; G176-T608 PolarHBondContact O-N 2.97Å; G176-T608 PolarHBondContact O-OG1 2.67Å; G176-D609 WeakPolarHBondContact CA-OD2 3.23Å; G176-D609 PolarHBondContact N-OD2 2.71Å
177	V	40.2	Very low	42.2	Very low	2 Å²	2	83.9 Å²	83.9	1%	0.012	49%	0.49	C	S	.	.			trans	-76.1	74.1	179.1	-162.3	0	0	0	0	108.2	C175 G179 H358 L606 D609 V610	C175-V177 HydrophobicContact CB-CB 4.46Å; C175-V177 HydrophobicContact CB-CG2 4.04Å; C175-V177 PolarHBondContact O-N 2.6Å; V177-G179 VanDerWaalsContact C-N 3.28Å; V177-G179 PolarHBondContact O-N 3.19Å; V177-H358 WeakPolarHBondContact CB-CE1 3.01Å; V177-H358 WeakPolarHBondContact CG2-CE1 3.2Å; V177-H358 WeakPolarHBondContact CG2-NE2 3.4Å; V177-L606 HydrophobicContact CG1-CB 4.08Å; V177-L606 WeakPolarHBondContact CG1-O 3.21Å; V177-D609 WeakPolarHBondContact CA-OD1 3.39Å; V177-D609 WeakPolarHBondContact CB-OD1 3.04Å; V177-D609 WeakPolarHBondContact CG2-OD1 3.47Å; V177-D609 WeakPolarHBondContact CG2-OD2 3.33Å; V177-D609 PolarHBondContact N-OD1 2.93Å; V177-D609 PolarHBondContact N-OD2 2.91Å; V177-V610 HydrophobicContact CG2-CG2 3.96Å
178	V	32.6	Very low	39.6	Very low	75 Å²	75	90.8 Å²	90.8	46%	0.455	52%	0.521	S	S	.	.			trans	-61.5	89.3	168	-166	0	0	0	0	110.3	G176 N605 G607	G176-V178 PolarHBondContact O-N 3.17Å; V178-N605 PolarHBondContact O-OD1 3.44Å; V178-G607 VanDerWaalsContact N-CA 3.27Å; V178-G607 WeakPolarHBondContact O-CA 3.45Å; V178-G607 PolarHBondContact O-N 3.47Å
179	G	34.5	Very low	37.4	Very low	38 Å²	38	96.7 Å²	96.7	39%	0.392	56%	0.559	S	S	.	*			trans	-103.6	114.2	161.4	0	0	0	0	0	109.8	V177 A181	V177-G179 VanDerWaalsContact C-N 3.28Å; V177-G179 PolarHBondContact O-N 3.19Å; G179-A181 PolarHBondContact O-N 2.96Å; G179-A181 VanDerWaalsContact O-N 3.16Å
180	E	31.3	Very low	35.4	Very low	162 Å²	162	103.2 Å²	103.2	76%	0.757	59%	0.587	S	S	*	*			trans	-64.9	115.1	179.9	-78.1	-172.4	133.8	0	0	112	T182	E180-T182 VanDerWaalsContact C-N 3.32Å; E180-T182 PolarHBondContact O-N 3.5Å
181	A	29	Very low	34.1	Very low	100 Å²	100	103 Å²	103	83%	0.826	57%	0.574	S	S	*	*			trans	-76.1	77.4	168.2	0	0	0	0	0	111.5	G179	G179-A181 PolarHBondContact O-N 2.96Å; G179-A181 VanDerWaalsContact O-N 3.16Å
182	T	26.9	Very low	32.8	Very low	116 Å²	116	100 Å²	100	71%	0.712	57%	0.566	S	S	*	*			trans	-156.7	125.1	154.1	6.4	0	0	0	0	116.4	E180	E180-T182 VanDerWaalsContact C-N 3.32Å; E180-T182 PolarHBondContact O-N 3.5Å
183	S	31.2	Very low	31.7	Very low	105 Å²	105	99.9 Å²	99.9	73%	0.734	58%	0.575	S	S	*	*			trans	59.8	112.3	150.7	61.1	0	0	0	0	120.9
184	T	22.2	Very low	30.3	Very low	142 Å²	142	102.7 Å²	102.7	87%	0.871	59%	0.587	S	S	*	*			trans	-157.8	158.9	130.3	10.8	0	0	0	0	109.6
185	P	24.2	Very low	29.3	Very low	112 Å²	112	104 Å²	104	73%	0.727	60%	0.598	S	S	*	*			trans	-87.7	159.2	-154.6	34	-37.6	0	0	0	115.8	Y187	P185-Y187 PolarHBondContact O-N 3.28Å
186	N	25.7	Very low	28.4	Very low	162 Å²	162	109.8 Å²	109.8	87%	0.866	63%	0.626	S	S	*	*			trans	-39.9	121.7	174	-66	-7.6	0	0	0	114
187	Y	24.2	Very low	28.1	Very low	225 Å²	225	114.9 Å²	114.9	88%	0.882	66%	0.657	S	S	*	*			trans	-134.6	136	153.8	-107.5	-91.5	0	0	0	109.2	P185	P185-Y187 PolarHBondContact O-N 3.28Å
188	E	21.4	Very low	27.7	Very low	180 Å²	180	117 Å²	117	84%	0.841	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-72.4	148.6	179.1	-65	-167.6	153.3	0	0	111.4	F190	E188-F190 PolarHBondContact O-N 2.85Å
189	P	24.3	Very low	27.6	Very low	131 Å²	131	116.7 Å²	116.7	85%	0.851	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-67.4	120.2	-178.2	-18.8	32.2	0	0	0	112.4
190	F	24.1	Very low	27.4	Very low	187 Å²	187	120.9 Å²	120.9	82%	0.82	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-89.4	116.4	170.1	-178.1	-99.8	0	0	0	109.9	E188 P192	E188-F190 PolarHBondContact O-N 2.85Å; F190-P192 WeakPolarHBondContact O-CD 3.21Å
191	E	22.8	Very low	27.6	Very low	103 Å²	103	121.9 Å²	121.9	48%	0.481	68%	0.677	S	S	.	*	P	Polyproline II helix	trans	-84.4	117.3	175.2	-73.4	-113.7	151.7	0	0	111.1	R202	E191-R202 VanDerWaalsContact CD-NH1 3.29Å; E191-R202 IonicContact OE1-CZ 2.56Å; E191-R202 VanDerWaalsContact OE1-CZ 3.26Å; E191-R202 IonicContact OE1-NH1 2.75Å; E191-R202 PolarHBondContact OE1-NH1 3.32Å; E191-R202 IonicContact OE1-NH2 2.77Å; E191-R202 PolarHBondContact OE1-NH2 3.17Å; E191-R202 IonicContact OE2-CZ 2.73Å; E191-R202 IonicContact OE2-NH1 3.59Å; E191-R202 PolarHBondContact OE2-NH1 3.25Å
192	P	26.4	Very low	27.7	Very low	71 Å²	71	124 Å²	124	46%	0.461	66%	0.663	S	S	.	*	P	Polyproline II helix	trans	-71.8	146.9	170.5	-13.9	30.5	0	0	0	110.9	F190 Q194	F190-P192 WeakPolarHBondContact O-CD 3.21Å; P192-Q194 WeakPolarHBondContact O-CG 3.38Å; P192-Q194 PolarHBondContact O-N 3.39Å
193	A	27.1	Very low	27.8	Very low	111 Å²	111	127.7 Å²	127.7	92%	0.917	67%	0.67	S	S	*	*			trans	-59.1	105.1	-172.6	0	0	0	0	0	113.6
194	Q	29.4	Very low	28.1	Very low	77 Å²	77	131.8 Å²	131.8	36%	0.36	67%	0.669	S	S	.	*			trans	-85.7	146.8	178.5	-65.7	-172.1	17.6	0	0	112.5	P192 S198 L199	P192-Q194 WeakPolarHBondContact O-CG 3.38Å; P192-Q194 PolarHBondContact O-N 3.39Å; Q194-S198 PolarHBondContact OE1-OG 2.8Å; Q194-L199 HydrophobicContact CB-CD1 4.23Å; Q194-L199 HydrophobicContact CB-CD2 4.41Å; Q194-L199 HydrophobicContact CB-CG 4.03Å
195	S	31.9	Very low	29.1	Very low	75 Å²	75	128.2 Å²	128.2	52%	0.524	65%	0.654	S	S	.	*			trans	-61.1	138	168	176.9	0	0	0	0	110.7	T197 S198 L199	S195-T197 PolarHBondContact O-N 2.9Å; S195-T197 PolarHBondContact OG-N 3.34Å; S195-T197 PolarHBondContact OG-OG1 2.94Å; S195-S198 PolarHBondContact O-N 3.39Å; S195-S198 PolarHBondContact O-OG 3.17Å; S195-L199 PolarHBondContact O-N 2.9Å
196	M	27.4	Very low	30.6	Very low	131 Å²	131	124.6 Å²	124.6	65%	0.645	63%	0.629	S	S	*	*	H	α-helix	trans	-51.3	-26.4	175.9	-77.2	-63.8	-60.4	0	0	113.8	L199 L200	M196-L199 HydrophobicContact SD-CD1 4.35Å; M196-L200 WeakPolarHBondContact O-CB 3.36Å; M196-L200 VanDerWaalsContact O-CG 3.29Å; M196-L200 WeakPolarHBondContact O-CG 3.44Å; M196-L200 PolarHBondContact O-N 3.37Å; M196-L200 VanDerWaalsContact O-N 3.12Å
197	T	33.2	Very low	31.8	Very low	107 Å²	107	122.1 Å²	122.1	66%	0.656	62%	0.621	S	S	*	*	H	α-helix	trans	-72.1	-26.6	175.7	41.1	0	0	0	0	115.1	S195	S195-T197 PolarHBondContact O-N 2.9Å; S195-T197 PolarHBondContact OG-N 3.34Å; S195-T197 PolarHBondContact OG-OG1 2.94Å
198	S	32.8	Very low	33.9	Very low	47 Å²	47	115.3 Å²	115.3	33%	0.329	60%	0.598	S	S	.	*	H	α-helix	trans	-81.2	-38.9	172	65	0	0	0	0	111.3	Q194 S195 L200 R201 R202	Q194-S198 PolarHBondContact OE1-OG 2.8Å; S195-S198 PolarHBondContact O-N 3.39Å; S195-S198 PolarHBondContact O-OG 3.17Å; S198-L200 VanDerWaalsContact C-N 3.29Å; S198-L200 PolarHBondContact O-N 3.08Å; S198-R201 WeakPolarHBondContact O-CA 3.45Å; S198-R201 WeakPolarHBondContact O-CB 3.26Å; S198-R201 PolarHBondContact O-N 2.97Å; S198-R202 PolarHBondContact O-N 3.22Å
199	L	28.8	Very low	36.6	Very low	69 Å²	69	108.6 Å²	108.6	36%	0.361	57%	0.569	S	S	.	*	H	α-helix	trans	-60.9	-36.3	176	-70.9	168.1	0	0	0	112.5	Q194 S195 M196 R201	Q194-L199 HydrophobicContact CB-CD1 4.23Å; Q194-L199 HydrophobicContact CB-CD2 4.41Å; Q194-L199 HydrophobicContact CB-CG 4.03Å; S195-L199 PolarHBondContact O-N 2.9Å; M196-L199 HydrophobicContact SD-CD1 4.35Å; L199-R201 VanDerWaalsContact C-N 3.26Å; L199-R201 PolarHBondContact O-N 2.79Å
200	L	30.8	Very low	39.6	Very low	125 Å²	125	102.9 Å²	102.9	65%	0.654	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-16.4	172.3	-73	169.4	0	0	0	113.9	M196 S198	M196-L200 WeakPolarHBondContact O-CB 3.36Å; M196-L200 VanDerWaalsContact O-CG 3.29Å; M196-L200 WeakPolarHBondContact O-CG 3.44Å; M196-L200 PolarHBondContact O-N 3.37Å; M196-L200 VanDerWaalsContact O-N 3.12Å; S198-L200 VanDerWaalsContact C-N 3.29Å; S198-L200 PolarHBondContact O-N 3.08Å
201	R	36.6	Very low	42.5	Very low	184 Å²	184	94.7 Å²	94.7	69%	0.694	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-33.2	177.5	-155	174.3	-173.5	179.9	-1	112.1	S198 L199 K203	S198-R201 WeakPolarHBondContact O-CA 3.45Å; S198-R201 WeakPolarHBondContact O-CB 3.26Å; S198-R201 PolarHBondContact O-N 2.97Å; L199-R201 VanDerWaalsContact C-N 3.26Å; L199-R201 PolarHBondContact O-N 2.79Å; R201-K203 PolarHBondContact O-N 2.78Å
202	R	31.4	Very low	45.8	Very low	144 Å²	144	89.8 Å²	89.8	54%	0.543	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	2.3	179.6	-162.4	175.8	178.2	-167.9	-1.4	115.3	E191 S198	E191-R202 VanDerWaalsContact CD-NH1 3.29Å; E191-R202 IonicContact OE1-CZ 2.56Å; E191-R202 VanDerWaalsContact OE1-CZ 3.26Å; E191-R202 IonicContact OE1-NH1 2.75Å; E191-R202 PolarHBondContact OE1-NH1 3.32Å; E191-R202 IonicContact OE1-NH2 2.77Å; E191-R202 PolarHBondContact OE1-NH2 3.17Å; E191-R202 IonicContact OE2-CZ 2.73Å; E191-R202 IonicContact OE2-NH1 3.59Å; E191-R202 PolarHBondContact OE2-NH1 3.25Å; S198-R202 PolarHBondContact O-N 3.22Å
203	K	28.8	Very low	48.9	Very low	193 Å²	193	87.4 Å²	87.4	84%	0.839	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.5	19.8	-174.7	-130.4	-176.6	-171.6	-175.7	0	114.1	R201	R201-K203 PolarHBondContact O-N 2.78Å
204	R	36.7	Very low	52.1	Low	191 Å²	191	82.1 Å²	82.1	72%	0.721	41%	0.412	S	S	*	.	S	Bend	trans	-133.6	120.5	173.8	-63.5	-178.9	-173.7	174.2	1.9	108.1
205	A	43.8	Very low	55.2	Low	68 Å²	68	78.5 Å²	78.5	56%	0.562	40%	0.395	S	S	*	.			trans	-47.7	147.8	154.4	0	0	0	0	0	109	P207 E391	A205-P207 WeakPolarHBondContact O-CD 3.32Å; A205-E391 WeakPolarHBondContact CA-OE1 3.31Å
206	L	55.7	Low	58.3	Low	36 Å²	36	74.9 Å²	74.9	19%	0.188	37%	0.37	C	S	.	.			trans	-45.1	115.6	178.6	-77.2	165.4	0	0	0	110.5	Q208 N252 F390 E391 I394	L206-Q208 PolarHBondContact O-N 3.29Å; L206-N252 PolarHBondContact O-ND2 2.84Å; L206-F390 HydrophobicContact CD1-CD1 3.89Å; L206-F390 HydrophobicContact CD1-CE1 3.48Å; L206-F390 VanDerWaalsContact CD1-CE1 3.48Å; L206-F390 HydrophobicContact CD1-CZ 4.29Å; L206-E391 HydrophobicContact CD1-CG 4.26Å; L206-E391 HydrophobicContact CG-CG 4.29Å; L206-I394 HydrophobicContact CD1-CB 4.19Å; L206-I394 HydrophobicContact CD1-CG1 3.89Å; L206-I394 HydrophobicContact CD1-CG2 4.4Å; L206-I394 HydrophobicContact CD2-CB 4.09Å; L206-I394 HydrophobicContact CD2-CG2 3.66Å
207	P	51	Low	61.6	Low	110 Å²	110	68.7 Å²	68.7	71%	0.714	34%	0.339	S	S	*	.	S	Bend	trans	-75.6	7.4	-164.7	30.8	-37.8	0	0	0	113.8	A205	A205-P207 WeakPolarHBondContact O-CD 3.32Å
208	Q	67.2	Low	64.6	Low	82 Å²	82	63.6 Å²	63.6	38%	0.383	31%	0.308	S	S	.	.	S	Bend	trans	-140.6	135.7	178.9	-66	-175.4	-45.2	0	0	107.9	L206 Y458	L206-Q208 PolarHBondContact O-N 3.29Å; Q208-Y458 PolarHBondContact OE1-OH 3.05Å
209	T	79.2	Confident	67.7	Low	39 Å²	39	61.3 Å²	61.3	24%	0.239	29%	0.292	C	S	.	.			trans	-60.3	137.7	172.3	-54.8	0	0	0	0	110.4	Y211 N252 R254	T209-Y211 HydrophobicContact CG2-CE1 4.36Å; T209-Y211 HydrophobicContact CG2-CE2 4.1Å; T209-Y211 WeakPolarHBondContact O-CE2 3.37Å; T209-N252 WeakPolarHBondContact CA-O 3.32Å; T209-N252 WeakPolarHBondContact CA-OD1 3.36Å; T209-N252 WeakPolarHBondContact CB-OD1 3.48Å; T209-N252 PolarHBondContact OG1-OD1 2.95Å; T209-R254 HydrophobicContact CG2-CG 3.71Å
210	S	85.9	Confident	70.8	Confident	11 Å²	11	59.1 Å²	59.1	8%	0.077	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	142.1	174	-60.7	0	0	0	0	110	N252 I253 R254 L402	S210-N252 PolarHBondContact N-O 3.18Å; S210-I253 CarbonylContact O-C 2.96Å; S210-I253 WeakPolarHBondContact O-CA 3.49Å; S210-R254 PolarHBondContact O-N 2.81Å; S210-L402 CarbonylContact C-O 3.3Å; S210-L402 WeakPolarHBondContact CA-O 3.33Å
211	Y	86.6	Confident	73.9	Confident	14 Å²	14	56.4 Å²	56.4	6%	0.055	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.5	179.6	-62.4	-91.8	0	0	0	109.1	T209 R254 L402 Q405	T209-Y211 HydrophobicContact CG2-CE1 4.36Å; T209-Y211 HydrophobicContact CG2-CE2 4.1Å; T209-Y211 WeakPolarHBondContact O-CE2 3.37Å; Y211-R254 CarbonylContact C-O 3.44Å; Y211-R254 WeakPolarHBondContact CA-O 3.38Å; Y211-R254 HydrophobicContact CD1-CB 3.79Å; Y211-R254 HydrophobicContact CD1-CG 4.28Å; Y211-R254 HydrophobicContact CE1-CB 4.02Å; Y211-R254 HydrophobicContact CE1-CG 4Å; Y211-L402 PolarHBondContact N-O 2.99Å; Y211-L402 VanDerWaalsContact O-CA 3.23Å; Y211-L402 WeakPolarHBondContact O-CA 3.33Å; Y211-L402 WeakPolarHBondContact O-CD2 3.41Å; Y211-Q405 HydrophobicContact CD2-CB 3.93Å; Y211-Q405 HydrophobicContact CD2-CG 4.45Å; Y211-Q405 HydrophobicContact CE1-CG 4.03Å; Y211-Q405 HydrophobicContact CE2-CB 3.64Å; Y211-Q405 HydrophobicContact CE2-CG 3.89Å; Y211-Q405 HydrophobicContact CG-CB 4.5Å; Y211-Q405 PolarHBondContact OH-NE2 3.38Å
212	V	92.4	Very high	76.7	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	109.1	177.2	176.5	0	0	0	0	108.5	L214 I253 R254 V255 V256 I298 M350 L354 L402	V212-L214 PolarHBondContact O-N 2.91Å; V212-I253 HydrophobicContact CG2-CG2 3.72Å; V212-R254 PolarHBondContact N-O 2.92Å; V212-V255 HydrophobicContact CB-CG2 4.49Å; V212-V256 PolarHBondContact O-N 3.33Å; V212-I298 HydrophobicContact CG1-CB 4.36Å; V212-I298 HydrophobicContact CG1-CD1 3.78Å; V212-I298 HydrophobicContact CG1-CG1 4.07Å; V212-M350 HydrophobicContact CG1-CE 4.03Å; V212-L354 HydrophobicContact CG2-CD2 4.15Å; V212-L402 HydrophobicContact CB-CD2 4.38Å; V212-L402 HydrophobicContact CG2-CD2 3.74Å
213	E	89.8	Confident	79.7	Confident	22 Å²	22	41.6 Å²	41.6	10%	0.103	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	100.8	168.8	-64.1	178.1	177.4	0	0	108.9	V258 H296 D297 I298 N404	E213-V258 HydrophobicContact CB-CG1 3.95Å; E213-V258 HydrophobicContact CB-CG2 4.22Å; E213-V258 HydrophobicContact CG-CG1 4.07Å; E213-H296 HydrophobicContact CB-CB 4.47Å; E213-D297 HydrophobicContact CB-CB 4.39Å; E213-D297 WeakPolarHBondContact CB-OD2 3.07Å; E213-D297 PolarHBondContact N-OD2 3.5Å; E213-D297 PolarHBondContact O-N 3.19Å; E213-I298 PolarHBondContact O-N 2.73Å; E213-N404 PolarHBondContact OE1-ND2 3Å
214	L	94.5	Very high	82.8	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	136.3	-175.8	176.3	64.9	0	0	0	111.4	V212 L216 L244 V255 V256 L257 V258 Q300 M350	V212-L214 PolarHBondContact O-N 2.91Å; L214-L216 HydrophobicContact CD2-CD2 4.3Å; L214-L216 HydrophobicContact CD2-CG 4.29Å; L214-L216 HydrophobicContact CG-CG 4.44Å; L214-L244 HydrophobicContact CD2-CD1 3.87Å; L214-V255 HydrophobicContact CB-CG1 4.02Å; L214-V255 HydrophobicContact CD2-CG1 3.69Å; L214-V255 HydrophobicContact CG-CG1 4.49Å; L214-V256 PolarHBondContact N-O 2.87Å; L214-L257 HydrophobicContact CD2-CD1 4.48Å; L214-L257 HydrophobicContact CG-CD1 4.32Å; L214-L257 WeakPolarHBondContact O-CA 3.42Å; L214-V258 WeakPolarHBondContact O-CG2 3.36Å; L214-V258 PolarHBondContact O-N 3.05Å; L214-Q300 HydrophobicContact CD1-CB 4.29Å; L214-Q300 HydrophobicContact CD1-CG 3.89Å; L214-M350 HydrophobicContact CD1-CE 4.41Å; L214-M350 HydrophobicContact CD1-SD 4.1Å; L214-M350 HydrophobicContact CD2-CE 4.46Å; L214-M350 HydrophobicContact CD2-SD 4.17Å
215	V	94	Very high	85.5	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	126.7	161.7	174.9	0	0	0	0	110.1	V217 V258 G259 L290 I294 H296 I298 G299 Q300	V215-V217 HydrophobicContact CG1-CG2 4.1Å; V215-V258 HydrophobicContact CG2-CG2 3.71Å; V215-G259 WeakPolarHBondContact CA-O 3.46Å; V215-L290 HydrophobicContact CB-CD2 4.37Å; V215-L290 HydrophobicContact CG1-CD1 4.27Å; V215-L290 HydrophobicContact CG1-CD2 3.84Å; V215-L290 HydrophobicContact CG1-CG 4.47Å; V215-I294 HydrophobicContact CG1-CD1 4.35Å; V215-I294 HydrophobicContact CG2-CB 4.36Å; V215-I294 HydrophobicContact CG2-CD1 4.29Å; V215-I294 HydrophobicContact CG2-CG2 3.81Å; V215-H296 HydrophobicContact CB-CB 4.41Å; V215-H296 HydrophobicContact CG2-CB 3.54Å; V215-H296 VanDerWaalsContact CG2-CG 3.49Å; V215-I298 PolarHBondContact N-O 2.82Å; V215-G299 WeakPolarHBondContact O-CA 3.5Å; V215-Q300 PolarHBondContact O-N 2.95Å
216	L	97.2	Very high	87.8	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	136.5	169.8	-68	170.8	0	0	0	109.4	L214 M237 M240 L257 G259 L260 E261 Q300 I302	L214-L216 HydrophobicContact CD2-CD2 4.3Å; L214-L216 HydrophobicContact CD2-CG 4.29Å; L214-L216 HydrophobicContact CG-CG 4.44Å; L216-M237 HydrophobicContact CB-SD 4.46Å; L216-M237 HydrophobicContact CD1-CB 3.84Å; L216-M237 HydrophobicContact CD1-CG 4.47Å; L216-M237 WeakPolarHBondContact CD1-O 3.43Å; L216-M237 HydrophobicContact CD1-SD 4.18Å; L216-M240 HydrophobicContact CD1-CB 4.42Å; L216-M240 HydrophobicContact CD1-SD 4.41Å; L216-M240 HydrophobicContact CD2-SD 4.19Å; L216-L257 HydrophobicContact CB-CD1 4.13Å; L216-L257 HydrophobicContact CD1-CD1 3.79Å; L216-L257 HydrophobicContact CD1-CD2 4.42Å; L216-L257 HydrophobicContact CG-CD1 3.74Å; L216-G259 PolarHBondContact N-O 3.3Å; L216-L260 HydrophobicContact CB-CD1 4.17Å; L216-L260 WeakPolarHBondContact O-CA 3.34Å; L216-L260 WeakPolarHBondContact O-CD1 3.44Å; L216-E261 PolarHBondContact O-N 3.35Å; L216-E261 VanDerWaalsContact O-N 3.13Å; L216-Q300 HydrophobicContact CD2-CB 4.07Å; L216-I302 HydrophobicContact CD2-CD1 4.27Å; L216-I302 HydrophobicContact CD2-CG1 4.37Å
217	V	97.1	Very high	89.6	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125.3	178.2	-176.4	0	0	0	0	108.1	V215 E261 F263 F282 W285 L290 Q300 L301 I302	V215-V217 HydrophobicContact CG1-CG2 4.1Å; V217-E261 CarbonylContact C-O 3.53Å; V217-E261 WeakPolarHBondContact CA-O 3.2Å; V217-E261 HydrophobicContact CG1-CB 4.4Å; V217-F263 HydrophobicContact CG1-CE1 4.1Å; V217-F263 HydrophobicContact CG1-CE2 3.77Å; V217-F263 HydrophobicContact CG1-CZ 3.5Å; V217-F263 VanDerWaalsContact CG1-CZ 3.5Å; V217-F282 HydrophobicContact CB-CE2 4.11Å; V217-F282 HydrophobicContact CG1-CE2 4.37Å; V217-F282 HydrophobicContact CG2-CE2 3.98Å; V217-F282 HydrophobicContact CG2-CZ 4.22Å; V217-W285 HydrophobicContact CG1-CH2 4.2Å; V217-W285 HydrophobicContact CG1-CZ3 4.01Å; V217-W285 HydrophobicContact CG2-CZ3 4.15Å; V217-L290 HydrophobicContact CG2-CD2 3.8Å; V217-Q300 PolarHBondContact N-O 2.71Å; V217-L301 HydrophobicContact CB-CD1 3.99Å; V217-L301 HydrophobicContact CG1-CD1 3.73Å; V217-L301 CarbonylContact O-C 3.58Å; V217-L301 WeakPolarHBondContact O-CA 3.25Å; V217-I302 PolarHBondContact O-N 3.49Å
218	V	97.3	Very high	91.6	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	121.2	-174.5	-178.4	0	0	0	0	110	R222 V233 M237 L260 E261 I262 F263 I302	V218-R222 HydrophobicContact CG1-CB 3.61Å; V218-R222 HydrophobicContact CG1-CG 3.62Å; V218-V233 HydrophobicContact CB-CG1 4.07Å; V218-V233 HydrophobicContact CG1-CG1 3.8Å; V218-V233 HydrophobicContact CG2-CG1 3.84Å; V218-M237 HydrophobicContact CG2-CG 3.64Å; V218-M237 HydrophobicContact CG2-SD 3.59Å; V218-M237 VanDerWaalsContact CG2-SD 3.59Å; V218-L260 HydrophobicContact CG2-CD1 3.82Å; V218-E261 PolarHBondContact N-O 3.13Å; V218-I262 HydrophobicContact CB-CG1 4.39Å; V218-F263 PolarHBondContact O-N 3.41Å; V218-I302 HydrophobicContact CG2-CB 4.4Å
219	D	96.1	Very high	92.8	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.174	C	C	.	.			trans	-71.8	164	-179.2	111.3	-67	0	0	0	113.1	L221 R222 Y223 N267 V271 I302 G304	D219-L221 VanDerWaalsContact C-N 3.29Å; D219-L221 VanDerWaalsContact CG-N 3.3Å; D219-L221 PolarHBondContact O-N 2.83Å; D219-L221 WeakPolarHBondContact OD1-CB 3.39Å; D219-L221 PolarHBondContact OD1-N 3.18Å; D219-L221 WeakPolarHBondContact OD2-CB 3.15Å; D219-L221 WeakPolarHBondContact OD2-CG 3.46Å; D219-L221 PolarHBondContact OD2-N 2.86Å; D219-R222 PolarHBondContact O-N 3.47Å; D219-R222 PolarHBondContact OD1-N 3.47Å; D219-Y223 PolarHBondContact O-N 3.42Å; D219-N267 PolarHBondContact OD2-ND2 2.74Å; D219-V271 HydrophobicContact CB-CG1 4.44Å; D219-I302 PolarHBondContact N-O 2.72Å; D219-G304 PolarHBondContact OD1-N 2.93Å
220	N	95.3	Very high	93.1	Very high	23 Å²	23	36.1 Å²	36.1	12%	0.123	17%	0.172	C	C	.	.	H	α-helix	trans	-63.5	-33.2	-179	-171.7	-111.8	0	0	0	113	Y223 N224 F263 K264 Q265 N267	N220-Y223 PolarHBondContact O-N 3.01Å; N220-N224 WeakPolarHBondContact O-CB 3.45Å; N220-N224 VanDerWaalsContact O-CG 3.26Å; N220-N224 PolarHBondContact O-N 3.19Å; N220-N224 PolarHBondContact O-ND2 3.39Å; N220-N224 PolarHBondContact OD1-ND2 2.85Å; N220-F263 WeakPolarHBondContact CA-O 3.35Å; N220-F263 HydrophobicContact CB-CB 4.43Å; N220-F263 VanDerWaalsContact CB-O 3.27Å; N220-F263 WeakPolarHBondContact CB-O 3.25Å; N220-F263 PolarHBondContact ND2-O 3.45Å; N220-K264 PolarHBondContact ND2-O 2.04Å; N220-Q265 VanDerWaalsContact ND2-C 3.34Å; N220-Q265 PolarHBondContact ND2-O 2.52Å; N220-Q265 PolarHBondContact OD1-O 3.28Å; N220-N267 VanDerWaalsContact CB-OD1 3.3Å; N220-N267 WeakPolarHBondContact CB-OD1 3.2Å; N220-N267 PolarHBondContact N-OD1 3.35Å
221	L	95	Very high	93.2	Very high	68 Å²	68	38.6 Å²	38.6	36%	0.356	19%	0.187	S	C	.	.	H	α-helix	trans	-63.2	-44.1	175.5	-59.2	173.9	0	0	0	110.6	D219 N224 Y225 V271 R305	D219-L221 VanDerWaalsContact C-N 3.29Å; D219-L221 VanDerWaalsContact CG-N 3.3Å; D219-L221 PolarHBondContact O-N 2.83Å; D219-L221 WeakPolarHBondContact OD1-CB 3.39Å; D219-L221 PolarHBondContact OD1-N 3.18Å; D219-L221 WeakPolarHBondContact OD2-CB 3.15Å; D219-L221 WeakPolarHBondContact OD2-CG 3.46Å; D219-L221 PolarHBondContact OD2-N 2.86Å; L221-N224 PolarHBondContact O-N 2.86Å; L221-Y225 WeakPolarHBondContact O-CB 3.5Å; L221-Y225 PolarHBondContact O-N 3.36Å; L221-V271 HydrophobicContact CD1-CG2 4.02Å; L221-R305 HydrophobicContact CD1-CG 3.79Å
222	R	94.9	Very high	93.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-67.1	-39.3	176.7	-173.3	67.2	-172	170.9	5.7	112.4	V218 D219 Y225 K226 E236 I302 Y334 N336 D337	V218-R222 HydrophobicContact CG1-CB 3.61Å; V218-R222 HydrophobicContact CG1-CG 3.62Å; D219-R222 PolarHBondContact O-N 3.47Å; D219-R222 PolarHBondContact OD1-N 3.47Å; R222-Y225 WeakPolarHBondContact O-CB 3.35Å; R222-Y225 PolarHBondContact O-N 3.37Å; R222-K226 PolarHBondContact O-N 3.03Å; R222-K226 VanDerWaalsContact O-N 3.09Å; R222-E236 IonicContact CZ-OE2 3.7Å; R222-E236 IonicContact NE-OE2 2.65Å; R222-E236 PolarHBondContact NE-OE2 3.37Å; R222-E236 VanDerWaalsContact NE-OE2 3.08Å; R222-E236 IonicContact NH2-OE1 2.93Å; R222-E236 PolarHBondContact NH2-OE1 3.27Å; R222-E236 IonicContact NH2-OE2 3.67Å; R222-E236 PolarHBondContact NH2-OE2 3.12Å; R222-I302 HydrophobicContact CG-CG2 4.41Å; R222-Y334 VanDerWaalsContact CZ-CD1 3.48Å; R222-Y334 PolarHBondContact NH1-O 3.2Å; R222-Y334 PolarHBondContact NH2-OH 3.34Å; R222-N336 PolarHBondContact NH1-O 3.39Å; R222-N336 PolarHBondContact NH2-O 3.46Å; R222-N336 VanDerWaalsContact NH2-O 3.12Å; R222-D337 IonicContact NH2-OD1 3.48Å
223	Y	94.8	Very high	93.2	Very high	17 Å²	17	39.4 Å²	39.4	7%	0.067	20%	0.196	C	C	.	.	H	α-helix	trans	-61.6	-43.2	174.2	175.7	-105.6	0	0	0	112.3	D219 N220 K226 Q228 E230 V233 I262 K264	D219-Y223 PolarHBondContact O-N 3.42Å; N220-Y223 PolarHBondContact O-N 3.01Å; Y223-K226 PolarHBondContact O-N 3.36Å; Y223-Q228 HydrophobicContact CD1-CB 4.35Å; Y223-Q228 HydrophobicContact CD1-CG 4.11Å; Y223-Q228 HydrophobicContact CE1-CB 3.59Å; Y223-Q228 HydrophobicContact CE1-CG 3.65Å; Y223-Q228 HydrophobicContact CE2-CB 4.38Å; Y223-Q228 WeakPolarHBondContact CE2-O 3.44Å; Y223-Q228 VanDerWaalsContact CZ-CA 3.5Å; Y223-Q228 WeakPolarHBondContact O-CA 3.37Å; Y223-Q228 PolarHBondContact O-N 2.87Å; Y223-Q228 PolarHBondContact OH-O 2.78Å; Y223-E230 HydrophobicContact CE2-CB 4.3Å; Y223-V233 HydrophobicContact CD2-CG2 4.37Å; Y223-I262 HydrophobicContact CD2-CG2 3.65Å; Y223-I262 HydrophobicContact CE2-CG2 4.39Å; Y223-I262 HydrophobicContact CG-CG2 4.09Å; Y223-K264 HydrophobicContact CD1-CB 4.3Å; Y223-K264 HydrophobicContact CD1-CG 4.39Å; Y223-K264 HydrophobicContact CD2-CG 4.23Å; Y223-K264 HydrophobicContact CE1-CB 3.88Å; Y223-K264 HydrophobicContact CE1-CG 4Å; Y223-K264 WeakPolarHBondContact CE1-O 3.31Å; Y223-K264 HydrophobicContact CE2-CD 4.35Å; Y223-K264 HydrophobicContact CE2-CG 3.82Å; Y223-K264 HydrophobicContact CG-CG 4.49Å; Y223-K264 WeakPolarHBondContact OH-CE 3.45Å
224	N	94.5	Very high	93.2	Very high	62 Å²	62	40.4 Å²	40.4	33%	0.332	20%	0.199	S	C	.	.	H	α-helix	trans	-68	-37.5	175.1	-70.4	-39.4	0	0	0	112.3	N220 L221 K226 Q227 Q228	N220-N224 WeakPolarHBondContact O-CB 3.45Å; N220-N224 VanDerWaalsContact O-CG 3.26Å; N220-N224 PolarHBondContact O-N 3.19Å; N220-N224 PolarHBondContact O-ND2 3.39Å; N220-N224 PolarHBondContact OD1-ND2 2.85Å; L221-N224 PolarHBondContact O-N 2.86Å; N224-K226 VanDerWaalsContact C-N 3.27Å; N224-K226 PolarHBondContact O-N 3.26Å; N224-Q227 WeakPolarHBondContact O-CA 3.47Å; N224-Q227 PolarHBondContact O-N 2.9Å; N224-Q228 PolarHBondContact OD1-NE2 3.31Å
225	Y	93.4	Very high	92.9	Very high	88 Å²	88	44.2 Å²	44.2	35%	0.345	22%	0.217	S	C	.	.	H	α-helix	trans	-56.4	-41.9	173.7	-172	-83.8	0	0	0	111.5	L221 R222 Q227 S335 N336 D337	L221-Y225 WeakPolarHBondContact O-CB 3.5Å; L221-Y225 PolarHBondContact O-N 3.36Å; R222-Y225 WeakPolarHBondContact O-CB 3.35Å; R222-Y225 PolarHBondContact O-N 3.37Å; Y225-Q227 PolarHBondContact O-N 2.79Å; Y225-S335 WeakPolarHBondContact CE2-O 3.41Å; Y225-N336 WeakPolarHBondContact OH-CA 3.36Å; Y225-D337 WeakPolarHBondContact CE1-OD1 3.28Å; Y225-D337 PolarHBondContact OH-OD2 2.87Å
226	K	92.6	Very high	92.7	Very high	35 Å²	35	45.1 Å²	45.1	15%	0.152	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	27	173	-66.9	-58.5	-169.1	-177.4	0	114.2	R222 Y223 N224 Q228 N229 V233 E236 D337	R222-K226 PolarHBondContact O-N 3.03Å; R222-K226 VanDerWaalsContact O-N 3.09Å; Y223-K226 PolarHBondContact O-N 3.36Å; N224-K226 VanDerWaalsContact C-N 3.27Å; N224-K226 PolarHBondContact O-N 3.26Å; K226-Q228 PolarHBondContact O-N 3.14Å; K226-Q228 VanDerWaalsContact O-N 3.08Å; K226-N229 VanDerWaalsContact O-CB 3.24Å; K226-N229 WeakPolarHBondContact O-CB 3.33Å; K226-N229 PolarHBondContact O-N 3.39Å; K226-V233 HydrophobicContact CB-CG2 3.73Å; K226-V233 HydrophobicContact CG-CG2 3.83Å; K226-E236 WeakPolarHBondContact CE-OE1 3.28Å; K226-E236 WeakPolarHBondContact CE-OE2 3.38Å; K226-E236 IonicContact NZ-OE1 3.95Å; K226-E236 PolarHBondContact NZ-OE1 2.9Å; K226-E236 IonicContact NZ-OE2 3.05Å; K226-D337 IonicContact NZ-OD1 2.8Å; K226-D337 PolarHBondContact NZ-OD1 3.43Å
227	Q	94	Very high	92.6	Very high	178 Å²	178	45.1 Å²	45.1	83%	0.832	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	33.1	177.4	-52.8	177.3	13.8	0	0	112.7	N224 Y225 N229	N224-Q227 WeakPolarHBondContact O-CA 3.47Å; N224-Q227 PolarHBondContact O-N 2.9Å; Y225-Q227 PolarHBondContact O-N 2.79Å; Q227-N229 PolarHBondContact O-N 2.96Å
228	Q	92.9	Very high	92.3	Very high	118 Å²	118	45.1 Å²	45.1	55%	0.551	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.1	24.4	-177.3	-55.3	-179.7	-17.3	0	0	113.7	Y223 N224 K226 E230	Y223-Q228 HydrophobicContact CD1-CB 4.35Å; Y223-Q228 HydrophobicContact CD1-CG 4.11Å; Y223-Q228 HydrophobicContact CE1-CB 3.59Å; Y223-Q228 HydrophobicContact CE1-CG 3.65Å; Y223-Q228 HydrophobicContact CE2-CB 4.38Å; Y223-Q228 WeakPolarHBondContact CE2-O 3.44Å; Y223-Q228 VanDerWaalsContact CZ-CA 3.5Å; Y223-Q228 WeakPolarHBondContact O-CA 3.37Å; Y223-Q228 PolarHBondContact O-N 2.87Å; Y223-Q228 PolarHBondContact OH-O 2.78Å; N224-Q228 PolarHBondContact OD1-NE2 3.31Å; K226-Q228 PolarHBondContact O-N 3.14Å; K226-Q228 VanDerWaalsContact O-N 3.08Å; Q228-E230 PolarHBondContact O-N 3.48Å
229	N	90.5	Very high	92	Very high	80 Å²	80	45.4 Å²	45.4	43%	0.428	22%	0.223	S	C	.	.			trans	-89.5	97.1	177.4	-173	-19.5	0	0	0	111.5	K226 Q227 T231 A232 V233	K226-N229 VanDerWaalsContact O-CB 3.24Å; K226-N229 WeakPolarHBondContact O-CB 3.33Å; K226-N229 PolarHBondContact O-N 3.39Å; Q227-N229 PolarHBondContact O-N 2.96Å; N229-T231 VanDerWaalsContact C-N 3.26Å; N229-T231 PolarHBondContact O-N 3.09Å; N229-T231 WeakPolarHBondContact OD1-CB 3.35Å; N229-T231 PolarHBondContact OD1-N 3.08Å; N229-A232 HydrophobicContact CB-CB 3.93Å; N229-A232 PolarHBondContact O-N 3.32Å; N229-A232 PolarHBondContact OD1-N 3.24Å; N229-A232 VanDerWaalsContact OD1-N 3.07Å; N229-V233 PolarHBondContact O-N 3.36Å; N229-V233 VanDerWaalsContact O-N 3.12Å
230	E	87.5	Confident	92	Very high	43 Å²	43	45.4 Å²	45.4	20%	0.201	22%	0.223	C	C	.	.	H	α-helix	trans	-58.4	-31.6	178	-178.1	165.3	-171.1	0	0	113.7	Q94 S96 Y223 Q228 R234 I262 K264	Q94-E230 PolarHBondContact NE2-OE1 2.94Å; S96-E230 WeakPolarHBondContact CB-OE1 3.44Å; S96-E230 PolarHBondContact OG-OE1 3.08Å; Y223-E230 HydrophobicContact CE2-CB 4.3Å; Q228-E230 PolarHBondContact O-N 3.48Å; E230-R234 WeakPolarHBondContact O-CB 3.02Å; E230-R234 PolarHBondContact O-N 2.76Å; E230-R234 VanDerWaalsContact O-N 3.08Å; E230-I262 HydrophobicContact CG-CD1 4.06Å; E230-K264 WeakPolarHBondContact OE2-CE 3.42Å; E230-K264 IonicContact OE2-NZ 3.36Å; E230-K264 PolarHBondContact OE2-NZ 2.88Å
231	T	86	Confident	91.9	Very high	63 Å²	63	44.3 Å²	44.3	39%	0.387	22%	0.217	S	C	.	.	H	α-helix	trans	-72.4	-42.9	175.8	-69.7	0	0	0	0	111.7	N229 V233 R234 E235	N229-T231 VanDerWaalsContact C-N 3.26Å; N229-T231 PolarHBondContact O-N 3.09Å; N229-T231 WeakPolarHBondContact OD1-CB 3.35Å; N229-T231 PolarHBondContact OD1-N 3.08Å; T231-V233 VanDerWaalsContact C-N 3.33Å; T231-V233 PolarHBondContact O-N 3.06Å; T231-R234 PolarHBondContact O-N 3.25Å; T231-E235 HydrophobicContact CG2-CG 4.37Å; T231-E235 VanDerWaalsContact CG2-OE1 3.3Å; T231-E235 WeakPolarHBondContact CG2-OE1 3.25Å; T231-E235 WeakPolarHBondContact O-CG 3.47Å; T231-E235 PolarHBondContact O-N 3.22Å
232	A	88.8	Confident	91.8	Very high	30 Å²	30	41 Å²	41	25%	0.248	20%	0.2	C	C	.	.	H	α-helix	trans	-63.1	-40.1	177.8	0	0	0	0	0	112	N229 E236	N229-A232 HydrophobicContact CB-CB 3.93Å; N229-A232 PolarHBondContact O-N 3.32Å; N229-A232 PolarHBondContact OD1-N 3.24Å; N229-A232 VanDerWaalsContact OD1-N 3.07Å; A232-E236 WeakPolarHBondContact O-CB 3.34Å; A232-E236 PolarHBondContact O-N 3.12Å; A232-E236 VanDerWaalsContact O-N 3.15Å
233	V	91.8	Very high	91.8	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.4	-49.1	172.2	173.6	0	0	0	0	110.9	V218 Y223 K226 N229 T231 E235 E236 M237 I262	V218-V233 HydrophobicContact CB-CG1 4.07Å; V218-V233 HydrophobicContact CG1-CG1 3.8Å; V218-V233 HydrophobicContact CG2-CG1 3.84Å; Y223-V233 HydrophobicContact CD2-CG2 4.37Å; K226-V233 HydrophobicContact CB-CG2 3.73Å; K226-V233 HydrophobicContact CG-CG2 3.83Å; N229-V233 PolarHBondContact O-N 3.36Å; N229-V233 VanDerWaalsContact O-N 3.12Å; T231-V233 VanDerWaalsContact C-N 3.33Å; T231-V233 PolarHBondContact O-N 3.06Å; V233-E235 PolarHBondContact O-N 3.47Å; V233-E236 PolarHBondContact O-N 2.91Å; V233-M237 HydrophobicContact CG1-CG 4.31Å; V233-M237 VanDerWaalsContact O-CG 3.3Å; V233-M237 WeakPolarHBondContact O-CG 3.38Å; V233-M237 PolarHBondContact O-N 2.94Å; V233-I262 HydrophobicContact CB-CD1 4.2Å; V233-I262 HydrophobicContact CG1-CD1 3.72Å; V233-I262 HydrophobicContact CG1-CG1 4.05Å
234	R	89.1	Confident	91.9	Very high	44 Å²	44	40.2 Å²	40.2	17%	0.166	20%	0.197	C	C	.	.	H	α-helix	trans	-57.7	-49.3	179.5	179.4	-177	50.5	128.3	0.3	112.3	F92 Q94 H111 E230 T231 E236 M237 V238 L260	F92-R234 HydrophobicContact CE1-CG 4.29Å; Q94-R234 VanDerWaalsContact OE1-CG 3.29Å; H111-R234 PolarHBondContact CE1-NH1 2.85Å; H111-R234 PolarHBondContact NE2-NH1 2.9Å; E230-R234 WeakPolarHBondContact O-CB 3.02Å; E230-R234 PolarHBondContact O-N 2.76Å; E230-R234 VanDerWaalsContact O-N 3.08Å; T231-R234 PolarHBondContact O-N 3.25Å; R234-E236 VanDerWaalsContact C-N 3.31Å; R234-E236 PolarHBondContact O-N 2.95Å; R234-M237 PolarHBondContact O-N 3.41Å; R234-V238 HydrophobicContact CG-CG2 4.37Å; R234-V238 VanDerWaalsContact O-CG2 3.29Å; R234-V238 WeakPolarHBondContact O-CG2 3.47Å; R234-V238 PolarHBondContact O-N 3.29Å; R234-L260 HydrophobicContact CB-CD2 4.15Å; R234-L260 HydrophobicContact CG-CD2 4.24Å
235	E	87.3	Confident	91.8	Very high	79 Å²	79	37.3 Å²	37.3	37%	0.369	18%	0.181	S	C	.	.	H	α-helix	trans	-63.5	-37.6	-178.6	-72.4	174.1	-173.8	0	0	112.2	T231 V233 Q239	T231-E235 HydrophobicContact CG2-CG 4.37Å; T231-E235 VanDerWaalsContact CG2-OE1 3.3Å; T231-E235 WeakPolarHBondContact CG2-OE1 3.25Å; T231-E235 WeakPolarHBondContact O-CG 3.47Å; T231-E235 PolarHBondContact O-N 3.22Å; V233-E235 PolarHBondContact O-N 3.47Å; E235-Q239 PolarHBondContact O-N 2.87Å
236	E	90.5	Very high	91.7	Very high	19 Å²	19	33.2 Å²	33.2	9%	0.089	17%	0.166	C	C	.	.	H	α-helix	trans	-64.6	-44.7	174.3	-174.1	171.5	-94.3	0	0	112.4	R222 K226 A232 V233 R234 Q239 M240 Y334 L339	R222-E236 IonicContact CZ-OE2 3.7Å; R222-E236 IonicContact NE-OE2 2.65Å; R222-E236 PolarHBondContact NE-OE2 3.37Å; R222-E236 VanDerWaalsContact NE-OE2 3.08Å; R222-E236 IonicContact NH2-OE1 2.93Å; R222-E236 PolarHBondContact NH2-OE1 3.27Å; R222-E236 IonicContact NH2-OE2 3.67Å; R222-E236 PolarHBondContact NH2-OE2 3.12Å; K226-E236 WeakPolarHBondContact CE-OE1 3.28Å; K226-E236 WeakPolarHBondContact CE-OE2 3.38Å; K226-E236 IonicContact NZ-OE1 3.95Å; K226-E236 PolarHBondContact NZ-OE1 2.9Å; K226-E236 IonicContact NZ-OE2 3.05Å; A232-E236 WeakPolarHBondContact O-CB 3.34Å; A232-E236 PolarHBondContact O-N 3.12Å; A232-E236 VanDerWaalsContact O-N 3.15Å; V233-E236 PolarHBondContact O-N 2.91Å; R234-E236 VanDerWaalsContact C-N 3.31Å; R234-E236 PolarHBondContact O-N 2.95Å; E236-Q239 PolarHBondContact O-N 3.35Å; E236-M240 PolarHBondContact O-N 3.01Å; E236-Y334 VanDerWaalsContact CD-CE1 3.43Å; E236-Y334 HydrophobicContact CG-CE1 3.94Å; E236-Y334 PolarHBondContact OE1-OH 3.44Å; E236-Y334 VanDerWaalsContact OE1-OH 3.14Å; E236-Y334 VanDerWaalsContact OE2-CE1 3.22Å; E236-Y334 WeakPolarHBondContact OE2-CE1 3.35Å; E236-L339 HydrophobicContact CG-CD1 3.78Å; E236-L339 HydrophobicContact CG-CD2 4.1Å; E236-L339 HydrophobicContact CG-CG 4.48Å
237	M	94.3	Very high	91.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-70	-35.5	178.7	-65.1	-58	95.6	0	0	112.8	L216 V218 V233 R234 M240 A241 L260 I302 Y334	L216-M237 HydrophobicContact CB-SD 4.46Å; L216-M237 HydrophobicContact CD1-CB 3.84Å; L216-M237 HydrophobicContact CD1-CG 4.47Å; L216-M237 WeakPolarHBondContact CD1-O 3.43Å; L216-M237 HydrophobicContact CD1-SD 4.18Å; V218-M237 HydrophobicContact CG2-CG 3.64Å; V218-M237 HydrophobicContact CG2-SD 3.59Å; V218-M237 VanDerWaalsContact CG2-SD 3.59Å; V233-M237 HydrophobicContact CG1-CG 4.31Å; V233-M237 VanDerWaalsContact O-CG 3.3Å; V233-M237 WeakPolarHBondContact O-CG 3.38Å; V233-M237 PolarHBondContact O-N 2.94Å; R234-M237 PolarHBondContact O-N 3.41Å; M237-M240 HydrophobicContact CE-CE 3.82Å; M237-M240 HydrophobicContact CE-SD 4.31Å; M237-M240 WeakPolarHBondContact O-CB 3.45Å; M237-M240 PolarHBondContact O-N 3.18Å; M237-M240 HydrophobicContact SD-SD 4.34Å; M237-A241 PolarHBondContact O-N 3.29Å; M237-L260 HydrophobicContact CB-CD1 4.18Å; M237-L260 HydrophobicContact CB-CD2 4.17Å; M237-L260 HydrophobicContact CG-CD1 3.91Å; M237-L260 HydrophobicContact CG-CD2 4.4Å; M237-I302 HydrophobicContact CE-CG2 4.38Å; M237-I302 HydrophobicContact SD-CB 4.42Å; M237-I302 HydrophobicContact SD-CG1 3.82Å; M237-I302 HydrophobicContact SD-CG2 4.43Å; M237-Y334 HydrophobicContact CE-CD1 4.35Å; M237-Y334 HydrophobicContact CE-CE1 4.2Å
238	V	91.2	Very high	91.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66.9	-42	173	176.1	0	0	0	0	110.4	F87 L88 F92 Y115 R234 M240 A241 N242 L257	F87-V238 HydrophobicContact CE2-CG1 3.66Å; F87-V238 WeakPolarHBondContact CE2-O 3.2Å; F87-V238 HydrophobicContact CZ-CG1 3.69Å; L88-V238 HydrophobicContact CD1-CG1 4.47Å; L88-V238 HydrophobicContact CD1-CG2 4.23Å; L88-V238 HydrophobicContact CD2-CG1 3.98Å; F92-V238 HydrophobicContact CZ-CG2 4.42Å; Y115-V238 HydrophobicContact CD2-CG1 4.29Å; Y115-V238 HydrophobicContact CE1-CG1 4.12Å; Y115-V238 HydrophobicContact CE2-CG1 3.56Å; Y115-V238 VanDerWaalsContact CZ-CG1 3.45Å; Y115-V238 WeakPolarHBondContact OH-CG1 3.41Å; R234-V238 HydrophobicContact CG-CG2 4.37Å; R234-V238 VanDerWaalsContact O-CG2 3.29Å; R234-V238 WeakPolarHBondContact O-CG2 3.47Å; R234-V238 PolarHBondContact O-N 3.29Å; V238-M240 VanDerWaalsContact C-N 3.31Å; V238-M240 PolarHBondContact O-N 2.91Å; V238-A241 PolarHBondContact O-N 3.26Å; V238-N242 PolarHBondContact O-N 3.33Å; V238-N242 VanDerWaalsContact O-N 3.09Å; V238-L257 HydrophobicContact CG2-CD2 4.17Å
239	Q	91.7	Very high	91.5	Very high	6 Å²	6	22.4 Å²	22.4	3%	0.028	11%	0.114	C	C	.	.	H	α-helix	trans	-63.7	-36.4	172.9	174.3	57.2	4	0	0	112.4	Y115 S131 R137 E235 E236 A241 N242 L243 L339	Y115-Q239 VanDerWaalsContact CD1-OE1 3.27Å; Y115-Q239 HydrophobicContact CE1-CB 3.96Å; S131-Q239 VanDerWaalsContact CB-OE1 3.24Å; R137-Q239 PolarHBondContact O-NE2 2.85Å; E235-Q239 PolarHBondContact O-N 2.87Å; E236-Q239 PolarHBondContact O-N 3.35Å; Q239-A241 PolarHBondContact O-N 3.38Å; Q239-N242 PolarHBondContact O-N 3.2Å; Q239-N242 PolarHBondContact OE1-ND2 2.95Å; Q239-L243 WeakPolarHBondContact O-CG 3.49Å; Q239-L243 PolarHBondContact O-N 3.27Å; Q239-L243 VanDerWaalsContact O-N 3.09Å; Q239-L339 HydrophobicContact CB-CD2 3.77Å; Q239-L339 HydrophobicContact CG-CD2 3.41Å; Q239-L339 VanDerWaalsContact CG-CD2 3.41Å
240	M	95.1	Very high	91.3	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-57.7	-48.2	173.5	-169.6	176.3	-80.7	0	0	111.3	L216 E236 M237 V238 N242 L243 L244 I302 Y334 L339 V342 V346	L216-M240 HydrophobicContact CD1-CB 4.42Å; L216-M240 HydrophobicContact CD1-SD 4.41Å; L216-M240 HydrophobicContact CD2-SD 4.19Å; E236-M240 PolarHBondContact O-N 3.01Å; M237-M240 HydrophobicContact CE-CE 3.82Å; M237-M240 HydrophobicContact CE-SD 4.31Å; M237-M240 WeakPolarHBondContact O-CB 3.45Å; M237-M240 PolarHBondContact O-N 3.18Å; M237-M240 HydrophobicContact SD-SD 4.34Å; V238-M240 VanDerWaalsContact C-N 3.31Å; V238-M240 PolarHBondContact O-N 2.91Å; M240-N242 VanDerWaalsContact C-N 3.34Å; M240-N242 PolarHBondContact O-N 2.69Å; M240-L243 WeakPolarHBondContact O-CB 3.23Å; M240-L243 PolarHBondContact O-N 2.52Å; M240-L244 HydrophobicContact CG-CD1 4.1Å; M240-L244 VanDerWaalsContact O-CG 3.31Å; M240-L244 WeakPolarHBondContact O-CG 3.44Å; M240-L244 PolarHBondContact O-N 3.21Å; M240-I302 HydrophobicContact CE-CD1 4.34Å; M240-I302 HydrophobicContact SD-CD1 3.9Å; M240-I302 HydrophobicContact SD-CG1 4.47Å; M240-Y334 HydrophobicContact CE-CD1 4.1Å; M240-Y334 HydrophobicContact CE-CE1 4.07Å; M240-L339 HydrophobicContact CB-CD1 4.08Å; M240-L339 HydrophobicContact CE-CD1 3.63Å; M240-L339 HydrophobicContact CG-CD1 4.47Å; M240-V342 HydrophobicContact CE-CG1 4.21Å; M240-V346 HydrophobicContact CE-CG2 4.33Å; M240-V346 HydrophobicContact SD-CB 4.48Å; M240-V346 HydrophobicContact SD-CG2 3.82Å
241	A	93.9	Very high	91.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63.1	-36.3	178	0	0	0	0	0	113.3	F87 M237 V238 Q239 L244 D245 L257	F87-A241 HydrophobicContact CD2-CB 3.76Å; F87-A241 HydrophobicContact CE2-CB 4.13Å; M237-A241 PolarHBondContact O-N 3.29Å; V238-A241 PolarHBondContact O-N 3.26Å; Q239-A241 PolarHBondContact O-N 3.38Å; A241-L244 PolarHBondContact O-N 3.36Å; A241-D245 PolarHBondContact O-N 2.91Å; A241-L257 HydrophobicContact CB-CB 3.76Å; A241-L257 HydrophobicContact CB-CD1 4.47Å; A241-L257 HydrophobicContact CB-CD2 3.92Å; A241-L257 HydrophobicContact CB-CG 4.27Å
242	N	93.4	Very high	91.3	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.1	-39.8	173.8	175.9	51	0	0	0	112.4	N84 F87 Y115 H117 L130 V238 Q239 M240 G246	N84-N242 WeakPolarHBondContact CB-OD1 3.46Å; N84-N242 PolarHBondContact ND2-OD1 2.73Å; N84-N242 VanDerWaalsContact ND2-OD1 3.14Å; F87-N242 HydrophobicContact CD1-CB 4.39Å; F87-N242 HydrophobicContact CD2-CB 4.02Å; F87-N242 HydrophobicContact CE1-CB 4.18Å; F87-N242 HydrophobicContact CE2-CB 3.81Å; F87-N242 HydrophobicContact CG-CB 4.31Å; F87-N242 HydrophobicContact CZ-CB 3.89Å; Y115-N242 HydrophobicContact CD1-CB 3.93Å; Y115-N242 HydrophobicContact CG-CB 4.36Å; H117-N242 PolarHBondContact NE2-O 2.87Å; H117-N242 PolarHBondContact NE2-OD1 2.88Å; L130-N242 PolarHBondContact O-ND2 2.04Å; V238-N242 PolarHBondContact O-N 3.33Å; V238-N242 VanDerWaalsContact O-N 3.09Å; Q239-N242 PolarHBondContact O-N 3.2Å; Q239-N242 PolarHBondContact OE1-ND2 2.95Å; M240-N242 VanDerWaalsContact C-N 3.34Å; M240-N242 PolarHBondContact O-N 2.69Å; N242-G246 PolarHBondContact O-N 3.02Å
243	L	95.2	Very high	91.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65	-47	174.2	-67.5	173.3	0	0	0	110.9	A129 V139 Q239 M240 D245 G246 Y247 L339	A129-L243 HydrophobicContact CB-CD2 3.82Å; A129-L243 WeakPolarHBondContact O-CD2 3.32Å; V139-L243 HydrophobicContact CB-CD2 4.34Å; V139-L243 HydrophobicContact CG2-CD2 4.21Å; Q239-L243 WeakPolarHBondContact O-CG 3.49Å; Q239-L243 PolarHBondContact O-N 3.27Å; Q239-L243 VanDerWaalsContact O-N 3.09Å; M240-L243 WeakPolarHBondContact O-CB 3.23Å; M240-L243 PolarHBondContact O-N 2.52Å; L243-D245 PolarHBondContact O-N 2.8Å; L243-G246 WeakPolarHBondContact O-CA 3.46Å; L243-G246 PolarHBondContact O-N 2.85Å; L243-Y247 HydrophobicContact CB-CE2 4.04Å; L243-Y247 WeakPolarHBondContact O-CD1 3.37Å; L243-Y247 WeakPolarHBondContact O-CD2 3.47Å; L243-Y247 VanDerWaalsContact O-CG 3.3Å; L243-Y247 PolarHBondContact O-N 2.82Å; L243-Y247 VanDerWaalsContact O-N 3.08Å; L243-L339 HydrophobicContact CD1-CG 4.44Å
244	L	96.1	Very high	91.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-58.8	-48.6	179.5	-68.3	167.7	0	0	0	112.6	L214 M240 A241 G246 Y247 Y248 V255 V346 A347 M350	L214-L244 HydrophobicContact CD2-CD1 3.87Å; M240-L244 HydrophobicContact CG-CD1 4.1Å; M240-L244 VanDerWaalsContact O-CG 3.31Å; M240-L244 WeakPolarHBondContact O-CG 3.44Å; M240-L244 PolarHBondContact O-N 3.21Å; A241-L244 PolarHBondContact O-N 3.36Å; L244-G246 PolarHBondContact O-N 3.06Å; L244-Y247 PolarHBondContact O-N 3.06Å; L244-Y247 VanDerWaalsContact O-N 3.09Å; L244-Y248 WeakPolarHBondContact O-CD2 3.37Å; L244-Y248 PolarHBondContact O-N 3.2Å; L244-Y248 VanDerWaalsContact O-N 3.08Å; L244-V255 HydrophobicContact CB-CG1 4.3Å; L244-V346 HydrophobicContact CD1-CB 4.47Å; L244-V346 HydrophobicContact CD1-CG1 3.75Å; L244-V346 HydrophobicContact CD2-CB 4.14Å; L244-V346 HydrophobicContact CD2-CG1 4.06Å; L244-A347 HydrophobicContact CD2-CB 3.78Å; L244-M350 HydrophobicContact CD1-SD 3.92Å; L244-M350 HydrophobicContact CD2-SD 4.14Å
245	D	93.6	Very high	91.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58	-34.5	175.5	-175.4	49.6	0	0	0	111.6	N84 F87 H117 A241 L243 K249 R254 V255	N84-D245 PolarHBondContact ND2-OD2 3.4Å; N84-D245 PolarHBondContact OD1-OD2 3.31Å; F87-D245 HydrophobicContact CB-CB 3.8Å; H117-D245 IonicContact CE1-OD2 3.8Å; H117-D245 PolarHBondContact CE1-OD2 2.81Å; A241-D245 PolarHBondContact O-N 2.91Å; L243-D245 PolarHBondContact O-N 2.8Å; D245-K249 VanDerWaalsContact O-CB 3.28Å; D245-K249 WeakPolarHBondContact O-CB 3.23Å; D245-K249 PolarHBondContact O-N 2.04Å; D245-R254 WeakPolarHBondContact OD1-CA 3.4Å; D245-R254 IonicContact OD1-CZ 2.64Å; D245-R254 IonicContact OD1-NE 3.93Å; D245-R254 PolarHBondContact OD1-NE 3.35Å; D245-R254 IonicContact OD1-NH2 2.85Å; D245-R254 IonicContact OD2-CZ 3.64Å; D245-R254 IonicContact OD2-NE 3.26Å; D245-R254 PolarHBondContact OD2-NE 2.88Å; D245-R254 IonicContact OD2-NH2 2.72Å; D245-R254 PolarHBondContact OD2-NH2 2.72Å; D245-V255 HydrophobicContact CB-CB 4.08Å; D245-V255 PolarHBondContact OD1-N 2.99Å
246	G	91.3	Very high	91.4	Very high	3 Å²	3	16.3 Å²	16.3	3%	0.031	9%	0.085	C	C	.	.	H	α-helix	trans	-67.2	-37.3	175.7	0	0	0	0	0	113.9	H117 N242 L243 L244 P250	H117-G246 WeakPolarHBondContact CE1-CA 3.31Å; H117-G246 PolarHBondContact CE1-N 3.43Å; H117-G246 VanDerWaalsContact CE1-N 3.26Å; H117-G246 WeakPolarHBondContact NE2-CA 3.36Å; H117-G246 PolarHBondContact NE2-N 2.76Å; N242-G246 PolarHBondContact O-N 3.02Å; L243-G246 WeakPolarHBondContact O-CA 3.46Å; L243-G246 PolarHBondContact O-N 2.85Å; L244-G246 PolarHBondContact O-N 3.06Å; G246-P250 WeakPolarHBondContact O-CD 3.39Å
247	Y	93.3	Very high	91.4	Very high	4 Å²	4	15.4 Å²	15.4	2%	0.016	8%	0.081	C	C	.	.	H	α-helix	trans	-75.1	-30.7	178.8	-53.3	-27.3	0	0	0	112.9	V139 L243 L244 P250 S343 T344 A347 I371 V380	V139-Y247 WeakPolarHBondContact CG2-OH 3.43Å; L243-Y247 HydrophobicContact CB-CE2 4.04Å; L243-Y247 WeakPolarHBondContact O-CD1 3.37Å; L243-Y247 WeakPolarHBondContact O-CD2 3.47Å; L243-Y247 VanDerWaalsContact O-CG 3.3Å; L243-Y247 PolarHBondContact O-N 2.82Å; L243-Y247 VanDerWaalsContact O-N 3.08Å; L244-Y247 PolarHBondContact O-N 3.06Å; L244-Y247 VanDerWaalsContact O-N 3.09Å; Y247-P250 WeakPolarHBondContact O-CD 3.41Å; Y247-S343 WeakPolarHBondContact CE2-OG 3.43Å; Y247-S343 PolarHBondContact OH-OG 3.14Å; Y247-T344 HydrophobicContact CE2-CG2 4.41Å; Y247-A347 HydrophobicContact CD2-CB 3.87Å; Y247-I371 HydrophobicContact CG-CD1 4.5Å; Y247-V380 HydrophobicContact CD1-CB 3.7Å; Y247-V380 HydrophobicContact CD1-CG1 3.89Å; Y247-V380 HydrophobicContact CE1-CB 3.61Å; Y247-V380 HydrophobicContact CE1-CG1 3.32Å; Y247-V380 HydrophobicContact CE2-CG1 4.29Å; Y247-V380 HydrophobicContact CG-CB 4.47Å
248	Y	93.4	Very high	90.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-88.5	-26.1	-178.3	-85.9	-74.2	0	0	0	114.2	L244 P250 L251 I253 V255 A347 M350 G351 L354 M356 F382	L244-Y248 WeakPolarHBondContact O-CD2 3.37Å; L244-Y248 PolarHBondContact O-N 3.2Å; L244-Y248 VanDerWaalsContact O-N 3.08Å; Y248-P250 VanDerWaalsContact C-CD 3.42Å; Y248-P250 VanDerWaalsContact C-N 3.33Å; Y248-L251 HydrophobicContact CD1-CD1 4.46Å; Y248-L251 PolarHBondContact O-N 2.82Å; Y248-I253 CarbonylContact C-O 3.56Å; Y248-I253 HydrophobicContact CD1-CB 4.13Å; Y248-I253 HydrophobicContact CD1-CD1 3.89Å; Y248-I253 HydrophobicContact CD1-CG2 4.03Å; Y248-I253 HydrophobicContact CE1-CD1 4.36Å; Y248-I253 HydrophobicContact CG-CG2 4.31Å; Y248-I253 PolarHBondContact O-N 3.34Å; Y248-V255 HydrophobicContact CD2-CG2 3.73Å; Y248-V255 HydrophobicContact CG-CG2 3.92Å; Y248-A347 HydrophobicContact CE2-CB 4.39Å; Y248-A347 PolarHBondContact OH-O 2.99Å; Y248-M350 HydrophobicContact CE2-CB 4.09Å; Y248-M350 HydrophobicContact CE2-CE 4.15Å; Y248-M350 WeakPolarHBondContact OH-CB 3.4Å; Y248-G351 WeakPolarHBondContact OH-CA 3.3Å; Y248-G351 PolarHBondContact OH-N 2.98Å; Y248-L354 HydrophobicContact CD1-CD1 4.04Å; Y248-L354 HydrophobicContact CE1-CD1 3.3Å; Y248-M356 HydrophobicContact CE1-CE 4.18Å; Y248-F382 AromaticContact CD1-CE2 3.95Å; Y248-F382 HydrophobicContact CD1-CE2 3.95Å; Y248-F382 HydrophobicContact CD1-CZ 4.22Å; Y248-F382 HydrophobicContact CD2-CE2 4.46Å; Y248-F382 HydrophobicContact CE1-CE1 4.41Å; Y248-F382 AromaticContact CE1-CE2 3.76Å; Y248-F382 HydrophobicContact CE1-CE2 3.76Å; Y248-F382 AromaticContact CE1-CZ 3.55Å; Y248-F382 HydrophobicContact CE1-CZ 3.55Å; Y248-F382 HydrophobicContact CE2-CE2 4.29Å; Y248-F382 HydrophobicContact CE2-CZ 4.01Å; Y248-F382 HydrophobicContact CG-CE2 4.3Å; Y248-F382 AromaticContact CZ-CE2 3.94Å; Y248-F382 AromaticContact CZ-CZ 3.42Å; Y248-F382 VanDerWaalsContact CZ-CZ 3.42Å; Y248-F382 WeakPolarHBondContact OH-CZ 3.25Å
249	K	88.1	Confident	90.6	Very high	100 Å²	100	15.9 Å²	15.9	44%	0.435	8%	0.084	S	C	.	.	G	3₁₀ helix	trans	-50.1	-40.1	178.4	-173.6	176.2	-177.4	-178.2	0	114.5	D245 L251 N252 I253	D245-K249 VanDerWaalsContact O-CB 3.28Å; D245-K249 WeakPolarHBondContact O-CB 3.23Å; D245-K249 PolarHBondContact O-N 2.04Å; K249-L251 VanDerWaalsContact C-N 3.25Å; K249-L251 PolarHBondContact O-N 3.07Å; K249-N252 PolarHBondContact O-N 2.96Å; K249-N252 VanDerWaalsContact O-N 3.09Å; K249-I253 WeakPolarHBondContact CA-O 3.43Å; K249-I253 PolarHBondContact N-O 2.86Å
250	P	86.4	Confident	90.5	Very high	91 Å²	91	15.6 Å²	15.6	59%	0.591	8%	0.082	S	C	*	.	G	3₁₀ helix	trans	-61.8	-25	175.4	-24.9	36.1	0	0	0	115.2	G246 Y247 Y248 N252	G246-P250 WeakPolarHBondContact O-CD 3.39Å; Y247-P250 WeakPolarHBondContact O-CD 3.41Å; Y248-P250 VanDerWaalsContact C-CD 3.42Å; Y248-P250 VanDerWaalsContact C-N 3.33Å; P250-N252 VanDerWaalsContact C-N 3.25Å; P250-N252 PolarHBondContact O-N 3.31Å
251	L	86.9	Confident	90.3	Very high	25 Å²	25	15.6 Å²	15.6	13%	0.131	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-86.8	10.7	175.9	-64.1	-178.5	0	0	0	113	Y248 K249 I253 M356 F382 E387	Y248-L251 HydrophobicContact CD1-CD1 4.46Å; Y248-L251 PolarHBondContact O-N 2.82Å; K249-L251 VanDerWaalsContact C-N 3.25Å; K249-L251 PolarHBondContact O-N 3.07Å; L251-I253 HydrophobicContact CB-CD1 3.9Å; L251-I253 HydrophobicContact CB-CG1 4.15Å; L251-I253 HydrophobicContact CD1-CD1 4.27Å; L251-I253 PolarHBondContact O-N 3.32Å; L251-M356 HydrophobicContact CD1-CE 3.44Å; L251-M356 VanDerWaalsContact CD1-CE 3.44Å; L251-M356 HydrophobicContact CD1-SD 4.4Å; L251-F382 HydrophobicContact CD1-CB 3.93Å; L251-F382 HydrophobicContact CD1-CD1 4.25Å; L251-F382 HydrophobicContact CD1-CD2 3.49Å; L251-F382 VanDerWaalsContact CD1-CD2 3.49Å; L251-F382 HydrophobicContact CD1-CE2 4.06Å; L251-F382 HydrophobicContact CD1-CG 3.61Å; L251-F382 HydrophobicContact CD2-CB 4.19Å; L251-F382 HydrophobicContact CG-CB 4.29Å; L251-F382 HydrophobicContact CG-CD2 4.06Å; L251-F382 HydrophobicContact CG-CG 4.34Å; L251-E387 HydrophobicContact CD2-CB 3.88Å; L251-E387 HydrophobicContact CD2-CG 4.06Å
252	N	85.3	Confident	90.3	Very high	61 Å²	61	15.6 Å²	15.6	33%	0.326	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	34.3	-170.5	-162.6	22.6	0	0	0	113	L206 T209 S210 K249 P250	L206-N252 PolarHBondContact O-ND2 2.84Å; T209-N252 WeakPolarHBondContact CA-O 3.32Å; T209-N252 WeakPolarHBondContact CA-OD1 3.36Å; T209-N252 WeakPolarHBondContact CB-OD1 3.48Å; T209-N252 PolarHBondContact OG1-OD1 2.95Å; S210-N252 PolarHBondContact N-O 3.18Å; K249-N252 PolarHBondContact O-N 2.96Å; K249-N252 VanDerWaalsContact O-N 3.09Å; P250-N252 VanDerWaalsContact C-N 3.25Å; P250-N252 PolarHBondContact O-N 3.31Å
253	I	90.1	Very high	90.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	133.4	175.2	-59.6	167.5	0	0	0	108.4	S210 V212 Y248 K249 L251 L354 M356 F390	S210-I253 CarbonylContact O-C 2.96Å; S210-I253 WeakPolarHBondContact O-CA 3.49Å; V212-I253 HydrophobicContact CG2-CG2 3.72Å; Y248-I253 CarbonylContact C-O 3.56Å; Y248-I253 HydrophobicContact CD1-CB 4.13Å; Y248-I253 HydrophobicContact CD1-CD1 3.89Å; Y248-I253 HydrophobicContact CD1-CG2 4.03Å; Y248-I253 HydrophobicContact CE1-CD1 4.36Å; Y248-I253 HydrophobicContact CG-CG2 4.31Å; Y248-I253 PolarHBondContact O-N 3.34Å; K249-I253 WeakPolarHBondContact CA-O 3.43Å; K249-I253 PolarHBondContact N-O 2.86Å; L251-I253 HydrophobicContact CB-CD1 3.9Å; L251-I253 HydrophobicContact CB-CG1 4.15Å; L251-I253 HydrophobicContact CD1-CD1 4.27Å; L251-I253 PolarHBondContact O-N 3.32Å; I253-L354 HydrophobicContact CD1-CD1 4.34Å; I253-M356 HydrophobicContact CD1-CE 4.45Å; I253-F390 HydrophobicContact CD1-CD1 3.9Å; I253-F390 HydrophobicContact CD1-CD2 4.17Å; I253-F390 HydrophobicContact CD1-CE1 3.63Å; I253-F390 HydrophobicContact CD1-CE2 3.93Å; I253-F390 HydrophobicContact CD1-CG 4.17Å; I253-F390 HydrophobicContact CD1-CZ 3.65Å; I253-F390 HydrophobicContact CG1-CD1 4.47Å; I253-F390 HydrophobicContact CG1-CE1 3.78Å; I253-F390 HydrophobicContact CG1-CZ 3.81Å
254	R	89.3	Confident	90	Very high	28 Å²	28	17.8 Å²	17.8	11%	0.106	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	132.8	172.3	-62.5	-55.4	-55.5	-90	2.8	109.8	N84 T209 S210 Y211 V212 D245	N84-R254 PolarHBondContact OD1-NH2 3.32Å; T209-R254 HydrophobicContact CG2-CG 3.71Å; S210-R254 PolarHBondContact O-N 2.81Å; Y211-R254 CarbonylContact C-O 3.44Å; Y211-R254 WeakPolarHBondContact CA-O 3.38Å; Y211-R254 HydrophobicContact CD1-CB 3.79Å; Y211-R254 HydrophobicContact CD1-CG 4.28Å; Y211-R254 HydrophobicContact CE1-CB 4.02Å; Y211-R254 HydrophobicContact CE1-CG 4Å; V212-R254 PolarHBondContact N-O 2.92Å; D245-R254 WeakPolarHBondContact OD1-CA 3.4Å; D245-R254 IonicContact OD1-CZ 2.64Å; D245-R254 IonicContact OD1-NE 3.93Å; D245-R254 PolarHBondContact OD1-NE 3.35Å; D245-R254 IonicContact OD1-NH2 2.85Å; D245-R254 IonicContact OD2-CZ 3.64Å; D245-R254 IonicContact OD2-NE 3.26Å; D245-R254 PolarHBondContact OD2-NE 2.88Å; D245-R254 IonicContact OD2-NH2 2.72Å; D245-R254 PolarHBondContact OD2-NH2 2.72Å
255	V	92	Very high	89.4	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	124.6	178	-179.9	0	0	0	0	108.9	F87 V212 L214 L244 D245 Y248 M350	F87-V255 WeakPolarHBondContact CA-O 3Å; F87-V255 WeakPolarHBondContact CB-O 3.04Å; V212-V255 HydrophobicContact CB-CG2 4.49Å; L214-V255 HydrophobicContact CB-CG1 4.02Å; L214-V255 HydrophobicContact CD2-CG1 3.69Å; L214-V255 HydrophobicContact CG-CG1 4.49Å; L244-V255 HydrophobicContact CB-CG1 4.3Å; D245-V255 HydrophobicContact CB-CB 4.08Å; D245-V255 PolarHBondContact OD1-N 2.99Å; Y248-V255 HydrophobicContact CD2-CG2 3.73Å; Y248-V255 HydrophobicContact CG-CG2 3.92Å; V255-M350 HydrophobicContact CG1-CE 3.94Å; V255-M350 HydrophobicContact CG2-CE 3.89Å
256	V	88.8	Confident	89.1	Confident	5 Å²	5	24.2 Å²	24.2	3%	0.03	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	110.3	-174.6	-173	0	0	0	0	109.3	F87 H89 V212 L214 V258 P406	F87-V256 CarbonylContact O-C 3.53Å; F87-V256 WeakPolarHBondContact O-CA 3.04Å; H89-V256 HydrophobicContact CB-CG1 4.48Å; V212-V256 PolarHBondContact O-N 3.33Å; L214-V256 PolarHBondContact N-O 2.87Å; V256-V258 HydrophobicContact CG1-CG1 4.38Å; V256-V258 PolarHBondContact O-N 3.44Å; V256-V258 VanDerWaalsContact O-N 3.14Å; V256-P406 HydrophobicContact CG1-CG 4.28Å; V256-P406 HydrophobicContact CG2-CG 4.22Å
257	L	89.6	Confident	89.2	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	103.9	175.6	-173.6	67.6	0	0	0	109.7	F87 L88 H89 F92 L214 L216 V238 A241 G259	F87-L257 PolarHBondContact O-N 3.36Å; L88-L257 HydrophobicContact CD1-CB 4.11Å; L88-L257 HydrophobicContact CD1-CD2 3.89Å; L88-L257 HydrophobicContact CD1-CG 4.26Å; H89-L257 WeakPolarHBondContact CB-O 3.05Å; H89-L257 PolarHBondContact N-O 2.84Å; H89-L257 VanDerWaalsContact N-O 3.08Å; F92-L257 HydrophobicContact CD2-CD2 4.2Å; F92-L257 HydrophobicContact CD2-CG 4.08Å; F92-L257 HydrophobicContact CE2-CD2 3.63Å; F92-L257 HydrophobicContact CE2-CG 3.82Å; F92-L257 HydrophobicContact CZ-CD2 4.33Å; L214-L257 HydrophobicContact CD2-CD1 4.48Å; L214-L257 HydrophobicContact CG-CD1 4.32Å; L214-L257 WeakPolarHBondContact O-CA 3.42Å; L216-L257 HydrophobicContact CB-CD1 4.13Å; L216-L257 HydrophobicContact CD1-CD1 3.79Å; L216-L257 HydrophobicContact CD1-CD2 4.42Å; L216-L257 HydrophobicContact CG-CD1 3.74Å; V238-L257 HydrophobicContact CG2-CD2 4.17Å; A241-L257 HydrophobicContact CB-CB 3.76Å; A241-L257 HydrophobicContact CB-CD1 4.47Å; A241-L257 HydrophobicContact CB-CD2 3.92Å; A241-L257 HydrophobicContact CB-CG 4.27Å; L257-G259 WeakPolarHBondContact CD1-O 3Å
258	V	84.7	Confident	89	Confident	10 Å²	10	28.1 Å²	28.1	6%	0.061	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-21.9	179.6	-61.6	0	0	0	0	112.9	H89 E213 L214 V215 V256 I294 H296	H89-V258 HydrophobicContact CB-CB 4.45Å; H89-V258 HydrophobicContact CB-CG1 4.26Å; E213-V258 HydrophobicContact CB-CG1 3.95Å; E213-V258 HydrophobicContact CB-CG2 4.22Å; E213-V258 HydrophobicContact CG-CG1 4.07Å; L214-V258 WeakPolarHBondContact O-CG2 3.36Å; L214-V258 PolarHBondContact O-N 3.05Å; V215-V258 HydrophobicContact CG2-CG2 3.71Å; V256-V258 HydrophobicContact CG1-CG1 4.38Å; V256-V258 PolarHBondContact O-N 3.44Å; V256-V258 VanDerWaalsContact O-N 3.14Å; V258-I294 HydrophobicContact CG2-CG2 4.08Å; V258-H296 HydrophobicContact CG2-CB 3.8Å
259	G	84.1	Confident	88.9	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	167.5	177.1	0	0	0	0	0	115.6	V93 V215 L216 L257	V93-G259 VanDerWaalsContact O-CA 3.31Å; V93-G259 WeakPolarHBondContact O-CA 3.02Å; V215-G259 WeakPolarHBondContact CA-O 3.46Å; L216-G259 PolarHBondContact N-O 3.3Å; L257-G259 WeakPolarHBondContact CD1-O 3Å
260	L	90.8	Very high	88.9	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	126.1	177.3	173.1	58.9	0	0	0	109.9	F92 V93 Q94 Y95 L216 V218 R234 M237 I262	F92-L260 HydrophobicContact CE2-CB 3.63Å; F92-L260 HydrophobicContact CZ-CB 3.49Å; F92-L260 VanDerWaalsContact CZ-CB 3.49Å; F92-L260 HydrophobicContact CZ-CD2 4Å; F92-L260 HydrophobicContact CZ-CG 4.41Å; V93-L260 PolarHBondContact O-N 2.03Å; Q94-L260 CarbonylContact C-O 3.58Å; Q94-L260 VanDerWaalsContact CA-O 3.28Å; Q94-L260 WeakPolarHBondContact CA-O 3.17Å; Y95-L260 PolarHBondContact N-O 2.8Å; L216-L260 HydrophobicContact CB-CD1 4.17Å; L216-L260 WeakPolarHBondContact O-CA 3.34Å; L216-L260 WeakPolarHBondContact O-CD1 3.44Å; V218-L260 HydrophobicContact CG2-CD1 3.82Å; R234-L260 HydrophobicContact CB-CD2 4.15Å; R234-L260 HydrophobicContact CG-CD2 4.24Å; M237-L260 HydrophobicContact CB-CD1 4.18Å; M237-L260 HydrophobicContact CB-CD2 4.17Å; M237-L260 HydrophobicContact CG-CD1 3.91Å; M237-L260 HydrophobicContact CG-CD2 4.4Å; L260-I262 HydrophobicContact CD1-CG1 4.16Å; L260-I262 HydrophobicContact CD2-CD1 4.09Å; L260-I262 HydrophobicContact CD2-CG1 4.33Å; L260-I262 HydrophobicContact CG-CD1 4.27Å; L260-I262 HydrophobicContact CG-CG1 3.99Å
261	E	90.8	Very high	89.1	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	130.1	170.9	176.4	102.5	-139.5	0	0	109.4	Y95 L216 V217 V218 F263 W285 L290 K293	Y95-E261 WeakPolarHBondContact O-CA 3.4Å; L216-E261 PolarHBondContact O-N 3.35Å; L216-E261 VanDerWaalsContact O-N 3.13Å; V217-E261 CarbonylContact C-O 3.53Å; V217-E261 WeakPolarHBondContact CA-O 3.2Å; V217-E261 HydrophobicContact CG1-CB 4.4Å; V218-E261 PolarHBondContact N-O 3.13Å; E261-F263 HydrophobicContact CG-CD1 4.08Å; E261-F263 HydrophobicContact CG-CE1 3.66Å; E261-W285 HydrophobicContact CG-CH2 4.03Å; E261-W285 HydrophobicContact CG-CZ2 4.44Å; E261-L290 HydrophobicContact CB-CD1 4.4Å; E261-K293 IonicContact OE1-NZ 3.56Å; E261-K293 IonicContact OE2-NZ 2.74Å; E261-K293 PolarHBondContact OE2-NZ 2.86Å
262	I	92.9	Very high	89	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	119.9	-179.8	-54.5	170.9	0	0	0	110.2	Q94 Y95 V218 Y223 E230 V233 L260 K264	Q94-I262 HydrophobicContact CG-CD1 4.4Å; Y95-I262 PolarHBondContact O-N 3.44Å; V218-I262 HydrophobicContact CB-CG1 4.39Å; Y223-I262 HydrophobicContact CD2-CG2 3.65Å; Y223-I262 HydrophobicContact CE2-CG2 4.39Å; Y223-I262 HydrophobicContact CG-CG2 4.09Å; E230-I262 HydrophobicContact CG-CD1 4.06Å; V233-I262 HydrophobicContact CB-CD1 4.2Å; V233-I262 HydrophobicContact CG1-CD1 3.72Å; V233-I262 HydrophobicContact CG1-CG1 4.05Å; L260-I262 HydrophobicContact CD1-CG1 4.16Å; L260-I262 HydrophobicContact CD2-CD1 4.09Å; L260-I262 HydrophobicContact CD2-CG1 4.33Å; L260-I262 HydrophobicContact CG-CD1 4.27Å; L260-I262 HydrophobicContact CG-CG1 3.99Å; I262-K264 HydrophobicContact CG2-CG 4.09Å; I262-K264 PolarHBondContact O-N 2.76Å; I262-K264 VanDerWaalsContact O-N 3.1Å
263	F	93.7	Very high	88.7	Confident	2 Å²	2	26 Å²	26	1%	0.009	15%	0.154	C	C	.	.			trans	-81.3	85	179.3	-61	-26.3	0	0	0	111.6	V217 V218 N220 E261 N267 P268 F269 W285 L301	V217-F263 HydrophobicContact CG1-CE1 4.1Å; V217-F263 HydrophobicContact CG1-CE2 3.77Å; V217-F263 HydrophobicContact CG1-CZ 3.5Å; V217-F263 VanDerWaalsContact CG1-CZ 3.5Å; V218-F263 PolarHBondContact O-N 3.41Å; N220-F263 WeakPolarHBondContact CA-O 3.35Å; N220-F263 HydrophobicContact CB-CB 4.43Å; N220-F263 VanDerWaalsContact CB-O 3.27Å; N220-F263 WeakPolarHBondContact CB-O 3.25Å; N220-F263 PolarHBondContact ND2-O 3.45Å; E261-F263 HydrophobicContact CG-CD1 4.08Å; E261-F263 HydrophobicContact CG-CE1 3.66Å; F263-N267 HydrophobicContact CD2-CB 4.44Å; F263-N267 WeakPolarHBondContact CD2-OD1 3.06Å; F263-P268 HydrophobicContact CD1-CG 4.38Å; F263-P268 HydrophobicContact CD2-CG 4.43Å; F263-P268 HydrophobicContact CE1-CG 3.82Å; F263-P268 HydrophobicContact CE2-CG 3.9Å; F263-P268 HydrophobicContact CZ-CG 3.56Å; F263-F269 AromaticContact CE2-CE1 3.97Å; F263-F269 HydrophobicContact CE2-CE1 3.97Å; F263-F269 HydrophobicContact CE2-CZ 4.03Å; F263-F269 HydrophobicContact CZ-CE1 4.11Å; F263-W285 AromaticContact CE1-CH2 3.74Å; F263-W285 HydrophobicContact CE1-CH2 3.74Å; F263-W285 AromaticContact CE1-CZ2 3.58Å; F263-W285 HydrophobicContact CE1-CZ2 3.58Å; F263-W285 HydrophobicContact CZ-CD2 4.34Å; F263-W285 AromaticContact CZ-CE2 3.99Å; F263-W285 HydrophobicContact CZ-CE3 4.29Å; F263-W285 AromaticContact CZ-CH2 3.6Å; F263-W285 HydrophobicContact CZ-CH2 3.6Å; F263-W285 AromaticContact CZ-CZ2 3.64Å; F263-W285 HydrophobicContact CZ-CZ2 3.64Å; F263-W285 AromaticContact CZ-CZ3 3.93Å; F263-W285 HydrophobicContact CZ-CZ3 3.93Å; F263-L301 HydrophobicContact CE2-CD1 4.32Å
264	K	88.9	Confident	87.8	Confident	44 Å²	44	27 Å²	27	19%	0.191	16%	0.161	C	C	.	.	S	Bend	trans	-73.4	-28	-170.8	-67.2	177.5	65.1	174.9	0	116.5	S96 N220 Y223 E230 I262	S96-K264 VanDerWaalsContact CB-CD 3.42Å; N220-K264 PolarHBondContact ND2-O 2.04Å; Y223-K264 HydrophobicContact CD1-CB 4.3Å; Y223-K264 HydrophobicContact CD1-CG 4.39Å; Y223-K264 HydrophobicContact CD2-CG 4.23Å; Y223-K264 HydrophobicContact CE1-CB 3.88Å; Y223-K264 HydrophobicContact CE1-CG 4Å; Y223-K264 WeakPolarHBondContact CE1-O 3.31Å; Y223-K264 HydrophobicContact CE2-CD 4.35Å; Y223-K264 HydrophobicContact CE2-CG 3.82Å; Y223-K264 HydrophobicContact CG-CG 4.49Å; Y223-K264 WeakPolarHBondContact OH-CE 3.45Å; E230-K264 WeakPolarHBondContact OE2-CE 3.42Å; E230-K264 IonicContact OE2-NZ 3.36Å; E230-K264 PolarHBondContact OE2-NZ 2.88Å; I262-K264 HydrophobicContact CG2-CG 4.09Å; I262-K264 PolarHBondContact O-N 2.76Å; I262-K264 VanDerWaalsContact O-N 3.1Å
265	Q	83.6	Confident	87.2	Confident	73 Å²	73	25.7 Å²	25.7	34%	0.341	16%	0.157	S	C	.	.	S	Bend	trans	-107.1	-47.9	178.3	-58.1	78.1	35.9	0	0	113.6	R97 E98 A99 N220	R97-Q265 PolarHBondContact O-NE2 2.89Å; R97-Q265 PolarHBondContact O-OE1 3.31Å; E98-Q265 PolarHBondContact O-OE1 2.89Å; A99-Q265 HydrophobicContact CB-CG 3.89Å; N220-Q265 VanDerWaalsContact ND2-C 3.34Å; N220-Q265 PolarHBondContact ND2-O 2.52Å; N220-Q265 PolarHBondContact OD1-O 3.28Å
266	S	88	Confident	86.2	Confident	63 Å²	63	27.1 Å²	27.1	44%	0.441	17%	0.172	S	C	.	.			trans	-158.6	153.3	-176.6	58.9	0	0	0	0	110.3
267	N	91.9	Very high	85.3	Confident	35 Å²	35	31.8 Å²	31.8	19%	0.187	19%	0.193	C	C	.	.			trans	-71.4	136.3	173.2	-64.3	-25.5	0	0	0	109.3	D219 N220 F263 F269 V271	D219-N267 PolarHBondContact OD2-ND2 2.74Å; N220-N267 VanDerWaalsContact CB-OD1 3.3Å; N220-N267 WeakPolarHBondContact CB-OD1 3.2Å; N220-N267 PolarHBondContact N-OD1 3.35Å; F263-N267 HydrophobicContact CD2-CB 4.44Å; F263-N267 WeakPolarHBondContact CD2-OD1 3.06Å; N267-F269 VanDerWaalsContact CB-O 3.25Å; N267-F269 WeakPolarHBondContact CB-O 3.25Å; N267-F269 PolarHBondContact O-N 3.37Å; N267-V271 HydrophobicContact CB-CG1 4.28Å; N267-V271 WeakPolarHBondContact ND2-CG1 3.4Å; N267-V271 WeakPolarHBondContact ND2-CG2 3.46Å
268	P	90.3	Very high	85	Confident	53 Å²	53	31.8 Å²	31.8	34%	0.344	19%	0.193	S	C	.	.	S	Bend	trans	-74.8	-8.3	179.3	27.9	-29.6	0	0	0	113.3	F263 W285	F263-P268 HydrophobicContact CD1-CG 4.38Å; F263-P268 HydrophobicContact CD2-CG 4.43Å; F263-P268 HydrophobicContact CE1-CG 3.82Å; F263-P268 HydrophobicContact CE2-CG 3.9Å; F263-P268 HydrophobicContact CZ-CG 3.56Å; P268-W285 HydrophobicContact CG-CD2 4.33Å; P268-W285 HydrophobicContact CG-CG 4.3Å; P268-W285 HydrophobicContact CG-CZ2 4.44Å
269	F	91.3	Very high	85	Confident	22 Å²	22	31.4 Å²	31.4	10%	0.096	19%	0.191	C	C	.	.	S	Bend	trans	-142.9	168.3	174.4	52.3	-92.4	0	0	0	109.4	F263 N267 V271 E281 F282 W285 L301	F263-F269 AromaticContact CE2-CE1 3.97Å; F263-F269 HydrophobicContact CE2-CE1 3.97Å; F263-F269 HydrophobicContact CE2-CZ 4.03Å; F263-F269 HydrophobicContact CZ-CE1 4.11Å; N267-F269 VanDerWaalsContact CB-O 3.25Å; N267-F269 WeakPolarHBondContact CB-O 3.25Å; N267-F269 PolarHBondContact O-N 3.37Å; F269-V271 HydrophobicContact CE2-CG1 4.13Å; F269-V271 PolarHBondContact O-N 2.77Å; F269-E281 HydrophobicContact CB-CB 4.08Å; F269-E281 HydrophobicContact CD2-CB 4.11Å; F269-E281 HydrophobicContact CG-CB 4.27Å; F269-F282 HydrophobicContact CE1-CD2 4.29Å; F269-F282 HydrophobicContact CE2-CB 4.04Å; F269-F282 HydrophobicContact CZ-CB 4.01Å; F269-F282 AromaticContact CZ-CD2 3.77Å; F269-F282 HydrophobicContact CZ-CD2 3.77Å; F269-F282 HydrophobicContact CZ-CG 4.36Å; F269-W285 HydrophobicContact CD1-CB 3.53Å; F269-W285 HydrophobicContact CD1-CD2 4.2Å; F269-W285 AromaticContact CD1-CG 3.61Å; F269-W285 HydrophobicContact CD1-CG 3.61Å; F269-W285 HydrophobicContact CE1-CB 3.73Å; F269-W285 AromaticContact CE1-CD2 3.72Å; F269-W285 HydrophobicContact CE1-CD2 3.72Å; F269-W285 AromaticContact CE1-CE3 3.9Å; F269-W285 HydrophobicContact CE1-CE3 3.9Å; F269-W285 AromaticContact CE1-CG 3.62Å; F269-W285 HydrophobicContact CE1-CG 3.62Å; F269-L301 HydrophobicContact CE2-CD2 3.83Å; F269-L301 HydrophobicContact CZ-CD1 4.24Å; F269-L301 HydrophobicContact CZ-CD2 3.93Å
270	S	88	Confident	84.6	Confident	64 Å²	64	31.9 Å²	31.9	45%	0.448	20%	0.195	S	C	.	.			trans	-69.4	127.7	177.1	-178.5	0	0	0	0	111.4	D272	S270-D272 VanDerWaalsContact C-N 3.35Å; S270-D272 PolarHBondContact OG-N 3.2Å; S270-D272 VanDerWaalsContact OG-N 3.08Å; S270-D272 PolarHBondContact OG-O 3.43Å
271	V	90.7	Very high	84.3	Confident	6 Å²	6	35.7 Å²	35.7	4%	0.036	21%	0.213	C	C	.	.			trans	-96.5	6.3	164.8	-59.1	0	0	0	0	112.4	D219 L221 N267 F269 V278 V303 R305 Y309	D219-V271 HydrophobicContact CB-CG1 4.44Å; L221-V271 HydrophobicContact CD1-CG2 4.02Å; N267-V271 HydrophobicContact CB-CG1 4.28Å; N267-V271 WeakPolarHBondContact ND2-CG1 3.4Å; N267-V271 WeakPolarHBondContact ND2-CG2 3.46Å; F269-V271 HydrophobicContact CE2-CG1 4.13Å; F269-V271 PolarHBondContact O-N 2.77Å; V271-V278 VanDerWaalsContact C-CG2 3.48Å; V271-V278 HydrophobicContact CB-CG1 4.39Å; V271-V278 HydrophobicContact CG1-CG1 4.45Å; V271-V278 WeakPolarHBondContact O-CG2 3.4Å; V271-V303 HydrophobicContact CB-CG1 4.35Å; V271-R305 PolarHBondContact O-NH1 2.72Å; V271-Y309 PolarHBondContact O-OH 2.98Å
272	D	84.3	Confident	84.4	Confident	101 Å²	101	35.7 Å²	35.7	54%	0.54	21%	0.213	S	C	.	.			trans	-97.1	155.2	171.9	-67.4	-51.2	0	0	0	112.1	S270 R305	S270-D272 VanDerWaalsContact C-N 3.35Å; S270-D272 PolarHBondContact OG-N 3.2Å; S270-D272 VanDerWaalsContact OG-N 3.08Å; S270-D272 PolarHBondContact OG-O 3.43Å; D272-R305 IonicContact OD1-CZ 3.31Å; D272-R305 IonicContact OD1-NH1 2.73Å; D272-R305 PolarHBondContact OD1-NH1 3.35Å
273	G	78.3	Confident	84	Confident	40 Å²	40	36 Å²	36	41%	0.412	22%	0.215	S	C	.	.	S	Bend	trans	113.7	-157.1	-170.9	0	0	0	0	0	111.4	Y309	G273-Y309 WeakPolarHBondContact O-CD1 3.43Å
274	S	72.8	Confident	83.5	Confident	20 Å²	20	39.5 Å²	39.5	14%	0.14	23%	0.23	C	C	.	.			trans	-79.4	158.9	164	50.4	0	0	0	0	111.8	G276 Q277 V278 S556	S274-G276 PolarHBondContact O-N 3.22Å; S274-G276 VanDerWaalsContact O-N 3.14Å; S274-Q277 PolarHBondContact O-N 3.43Å; S274-Q277 VanDerWaalsContact O-N 3.09Å; S274-Q277 WeakPolarHBondContact OG-CG 3.37Å; S274-Q277 PolarHBondContact OG-OE1 3.41Å; S274-V278 WeakPolarHBondContact O-CG2 3.18Å; S274-V278 PolarHBondContact O-N 3.08Å; S274-S556 VanDerWaalsContact CB-CB 3.49Å
275	A	76.1	Confident	83.6	Confident	2 Å²	2	38.4 Å²	38.4	2%	0.017	23%	0.225	C	C	.	.	H	α-helix	trans	-53.4	-33.1	171.3	0	0	0	0	0	112.1	Q277 V278 L279 Y309 V313 M316 I331	A275-Q277 PolarHBondContact O-N 3.34Å; A275-V278 PolarHBondContact O-N 2.92Å; A275-L279 WeakPolarHBondContact O-CB 3.47Å; A275-L279 PolarHBondContact O-N 3.35Å; A275-Y309 HydrophobicContact CB-CD1 4.25Å; A275-Y309 HydrophobicContact CB-CD2 3.66Å; A275-Y309 HydrophobicContact CB-CE2 4.07Å; A275-Y309 HydrophobicContact CB-CG 3.75Å; A275-V313 HydrophobicContact CB-CG1 4.01Å; A275-M316 VanDerWaalsContact C-CE 3.49Å; A275-M316 HydrophobicContact CB-CB 4.09Å; A275-M316 HydrophobicContact CB-CE 3.15Å; A275-M316 HydrophobicContact CB-SD 3.81Å; A275-I331 HydrophobicContact CB-CD1 3.77Å; A275-I331 VanDerWaalsContact O-CD1 3.24Å; A275-I331 WeakPolarHBondContact O-CD1 3.2Å
276	G	70.8	Confident	83.9	Confident	30 Å²	30	35 Å²	35	31%	0.309	21%	0.209	S	C	.	.	H	α-helix	trans	-69.7	-34.4	179.3	0	0	0	0	0	113.8	S274 G280 M316	S274-G276 PolarHBondContact O-N 3.22Å; S274-G276 VanDerWaalsContact O-N 3.14Å; G276-G280 PolarHBondContact O-N 2.81Å; G276-G280 VanDerWaalsContact O-N 3.11Å; G276-M316 WeakPolarHBondContact CA-SD 3.35Å; G276-M316 PolarHBondContact N-SD 2.98Å
277	Q	70.3	Confident	83.5	Confident	103 Å²	103	34.8 Å²	34.8	48%	0.481	20%	0.2	S	C	.	.	H	α-helix	trans	-68	-44.7	171.5	-69	170.2	-30.9	0	0	110.2	S274 A275 G280 E281	S274-Q277 PolarHBondContact O-N 3.43Å; S274-Q277 VanDerWaalsContact O-N 3.09Å; S274-Q277 WeakPolarHBondContact OG-CG 3.37Å; S274-Q277 PolarHBondContact OG-OE1 3.41Å; A275-Q277 PolarHBondContact O-N 3.34Å; Q277-G280 PolarHBondContact O-N 2.81Å; Q277-E281 WeakPolarHBondContact O-CG 3.37Å; Q277-E281 PolarHBondContact O-N 3.46Å
278	V	83.8	Confident	82.7	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-68.2	-39.1	-179	180	0	0	0	0	112.1	V271 S274 A275 E281 F282 L301 Y309 I331	V271-V278 VanDerWaalsContact C-CG2 3.48Å; V271-V278 HydrophobicContact CB-CG1 4.39Å; V271-V278 HydrophobicContact CG1-CG1 4.45Å; V271-V278 WeakPolarHBondContact O-CG2 3.4Å; S274-V278 WeakPolarHBondContact O-CG2 3.18Å; S274-V278 PolarHBondContact O-N 3.08Å; A275-V278 PolarHBondContact O-N 2.92Å; V278-E281 PolarHBondContact O-N 2.77Å; V278-F282 VanDerWaalsContact O-CB 3.25Å; V278-F282 WeakPolarHBondContact O-CB 3.42Å; V278-F282 PolarHBondContact O-N 3.08Å; V278-L301 HydrophobicContact CG1-CD2 4.2Å; V278-Y309 HydrophobicContact CG2-CE1 3.99Å; V278-I331 HydrophobicContact CB-CD1 3.75Å; V278-I331 HydrophobicContact CG1-CD1 3.81Å; V278-I331 HydrophobicContact CG1-CG2 4.46Å
279	L	84.4	Confident	82.3	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-48.3	173.3	174.4	62.8	0	0	0	110.6	A275 E281 F282 V283 M316 Y318 I331	A275-L279 WeakPolarHBondContact O-CB 3.47Å; A275-L279 PolarHBondContact O-N 3.35Å; L279-E281 VanDerWaalsContact C-N 3.34Å; L279-E281 PolarHBondContact O-N 2.89Å; L279-F282 PolarHBondContact O-N 3.27Å; L279-V283 HydrophobicContact CD1-CG1 3.84Å; L279-V283 WeakPolarHBondContact O-CG2 3.45Å; L279-V283 PolarHBondContact O-N 2.99Å; L279-M316 HydrophobicContact CB-CG 4.34Å; L279-M316 HydrophobicContact CB-SD 4.28Å; L279-M316 HydrophobicContact CD2-CG 3.71Å; L279-M316 HydrophobicContact CD2-SD 4.32Å; L279-Y318 HydrophobicContact CD1-CD2 4.29Å; L279-Y318 HydrophobicContact CD1-CE2 4.15Å; L279-Y318 HydrophobicContact CD2-CD2 3.74Å; L279-Y318 HydrophobicContact CD2-CE2 3.61Å; L279-Y318 HydrophobicContact CD2-CG 4.25Å; L279-Y318 HydrophobicContact CG-CD2 4.08Å; L279-Y318 HydrophobicContact CG-CE2 3.62Å; L279-I331 HydrophobicContact CB-CD1 4.38Å; L279-I331 HydrophobicContact CB-CG1 4.43Å; L279-I331 HydrophobicContact CB-CG2 4.15Å; L279-I331 HydrophobicContact CD1-CG2 4.04Å
280	G	75.3	Confident	81.8	Confident	9 Å²	9	35 Å²	35	9%	0.093	21%	0.207	C	C	.	.	H	α-helix	trans	-57.7	-44.1	177.8	0	0	0	0	0	112.8	G276 Q277 K284	G276-G280 PolarHBondContact O-N 2.81Å; G276-G280 VanDerWaalsContact O-N 3.11Å; Q277-G280 PolarHBondContact O-N 2.81Å; G280-K284 WeakPolarHBondContact O-CD 3.26Å; G280-K284 WeakPolarHBondContact O-CE 3.49Å; G280-K284 WeakPolarHBondContact O-CG 3.49Å; G280-K284 PolarHBondContact O-N 3.38Å
281	E	84.3	Confident	81.1	Confident	80 Å²	80	33.8 Å²	33.8	37%	0.374	20%	0.195	S	C	.	.	H	α-helix	trans	-70.5	-37.8	176.3	-66.6	-57.8	113.9	0	0	112.5	F269 Q277 V278 L279 K284 W285	F269-E281 HydrophobicContact CB-CB 4.08Å; F269-E281 HydrophobicContact CD2-CB 4.11Å; F269-E281 HydrophobicContact CG-CB 4.27Å; Q277-E281 WeakPolarHBondContact O-CG 3.37Å; Q277-E281 PolarHBondContact O-N 3.46Å; V278-E281 PolarHBondContact O-N 2.77Å; L279-E281 VanDerWaalsContact C-N 3.34Å; L279-E281 PolarHBondContact O-N 2.89Å; E281-K284 PolarHBondContact O-N 3.43Å; E281-K284 IonicContact OE1-NZ 3.63Å; E281-K284 PolarHBondContact OE1-NZ 2.9Å; E281-W285 WeakPolarHBondContact O-CB 3.35Å; E281-W285 PolarHBondContact O-N 3.17Å
282	F	92.9	Very high	80	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.5	-47.4	175.7	171.6	-122.3	0	0	0	112.3	V217 F269 V278 L279 K284 W285 R286 G299 L301 G330 I331	V217-F282 HydrophobicContact CB-CE2 4.11Å; V217-F282 HydrophobicContact CG1-CE2 4.37Å; V217-F282 HydrophobicContact CG2-CE2 3.98Å; V217-F282 HydrophobicContact CG2-CZ 4.22Å; F269-F282 HydrophobicContact CE1-CD2 4.29Å; F269-F282 HydrophobicContact CE2-CB 4.04Å; F269-F282 HydrophobicContact CZ-CB 4.01Å; F269-F282 AromaticContact CZ-CD2 3.77Å; F269-F282 HydrophobicContact CZ-CD2 3.77Å; F269-F282 HydrophobicContact CZ-CG 4.36Å; V278-F282 VanDerWaalsContact O-CB 3.25Å; V278-F282 WeakPolarHBondContact O-CB 3.42Å; V278-F282 PolarHBondContact O-N 3.08Å; L279-F282 PolarHBondContact O-N 3.27Å; F282-K284 PolarHBondContact O-N 3.42Å; F282-W285 HydrophobicContact CD2-CE3 4.1Å; F282-W285 HydrophobicContact CE2-CE3 4.09Å; F282-W285 HydrophobicContact CE2-CZ3 4.09Å; F282-W285 PolarHBondContact O-N 3.33Å; F282-R286 WeakPolarHBondContact O-CB 3.43Å; F282-R286 PolarHBondContact O-N 2.91Å; F282-G299 WeakPolarHBondContact CE1-O 3.07Å; F282-L301 HydrophobicContact CB-CD2 4.16Å; F282-L301 HydrophobicContact CD1-CB 3.93Å; F282-L301 HydrophobicContact CD2-CB 3.89Å; F282-L301 HydrophobicContact CD2-CD1 4.22Å; F282-L301 HydrophobicContact CD2-CD2 4.16Å; F282-L301 HydrophobicContact CD2-CG 4.31Å; F282-L301 HydrophobicContact CE1-CB 3.89Å; F282-L301 HydrophobicContact CE2-CB 3.86Å; F282-L301 HydrophobicContact CE2-CD1 4.28Å; F282-L301 HydrophobicContact CG-CB 3.92Å; F282-L301 HydrophobicContact CG-CD2 4.12Å; F282-L301 HydrophobicContact CZ-CB 3.86Å; F282-G330 VanDerWaalsContact CE1-O 3.27Å; F282-G330 WeakPolarHBondContact CE1-O 3.45Å; F282-I331 HydrophobicContact CB-CG2 4.11Å; F282-I331 HydrophobicContact CD1-CG2 3.91Å; F282-I331 HydrophobicContact CG-CG2 4.26Å
283	V	85.5	Confident	79.3	Confident	6 Å²	6	36.2 Å²	36.2	4%	0.036	21%	0.21	C	C	.	.	H	α-helix	trans	-71.1	-30.8	-178.3	-58.9	0	0	0	0	112.7	L279 R286 K287 Y318 A326	L279-V283 HydrophobicContact CD1-CG1 3.84Å; L279-V283 WeakPolarHBondContact O-CG2 3.45Å; L279-V283 PolarHBondContact O-N 2.99Å; V283-R286 WeakPolarHBondContact O-CB 3.35Å; V283-R286 PolarHBondContact O-N 3.41Å; V283-K287 PolarHBondContact O-N 3.36Å; V283-Y318 HydrophobicContact CG1-CD2 4.31Å; V283-Y318 HydrophobicContact CG1-CE2 4.01Å; V283-Y318 HydrophobicContact CG2-CE2 3.84Å; V283-A326 VanDerWaalsContact CB-O 3.23Å; V283-A326 WeakPolarHBondContact CB-O 3.36Å; V283-A326 WeakPolarHBondContact CG2-O 3.19Å
284	K	81.9	Confident	79	Confident	76 Å²	76	34.8 Å²	34.8	33%	0.33	19%	0.193	S	C	.	.	H	α-helix	trans	-64.2	-43.6	169.6	-70.5	170.3	-154	177.2	0	111.8	G280 E281 F282 K287 S288 D630	G280-K284 WeakPolarHBondContact O-CD 3.26Å; G280-K284 WeakPolarHBondContact O-CE 3.49Å; G280-K284 WeakPolarHBondContact O-CG 3.49Å; G280-K284 PolarHBondContact O-N 3.38Å; E281-K284 PolarHBondContact O-N 3.43Å; E281-K284 IonicContact OE1-NZ 3.63Å; E281-K284 PolarHBondContact OE1-NZ 2.9Å; F282-K284 PolarHBondContact O-N 3.42Å; K284-K287 PolarHBondContact O-N 3.22Å; K284-S288 WeakPolarHBondContact O-CB 3.25Å; K284-S288 PolarHBondContact O-N 3.11Å; K284-S288 PolarHBondContact O-OG 3.06Å; K284-D630 VanDerWaalsContact CE-OD1 3.29Å; K284-D630 WeakPolarHBondContact CE-OD1 3.43Å; K284-D630 VanDerWaalsContact CE-OD2 3.29Å; K284-D630 WeakPolarHBondContact CE-OD2 3.28Å; K284-D630 IonicContact NZ-OD1 2.72Å; K284-D630 PolarHBondContact NZ-OD1 2.65Å; K284-D630 IonicContact NZ-OD2 2.96Å; K284-D630 PolarHBondContact NZ-OD2 3.42Å
285	W	91.7	Very high	79.2	Confident	21 Å²	21	39 Å²	39	8%	0.08	21%	0.206	C	C	.	.	H	α-helix	trans	-65	-39.5	173.6	176.2	83.3	0	0	0	111.6	V217 E261 F263 P268 F269 E281 F282 S288 T289 L290	V217-W285 HydrophobicContact CG1-CH2 4.2Å; V217-W285 HydrophobicContact CG1-CZ3 4.01Å; V217-W285 HydrophobicContact CG2-CZ3 4.15Å; E261-W285 HydrophobicContact CG-CH2 4.03Å; E261-W285 HydrophobicContact CG-CZ2 4.44Å; F263-W285 AromaticContact CE1-CH2 3.74Å; F263-W285 HydrophobicContact CE1-CH2 3.74Å; F263-W285 AromaticContact CE1-CZ2 3.58Å; F263-W285 HydrophobicContact CE1-CZ2 3.58Å; F263-W285 HydrophobicContact CZ-CD2 4.34Å; F263-W285 AromaticContact CZ-CE2 3.99Å; F263-W285 HydrophobicContact CZ-CE3 4.29Å; F263-W285 AromaticContact CZ-CH2 3.6Å; F263-W285 HydrophobicContact CZ-CH2 3.6Å; F263-W285 AromaticContact CZ-CZ2 3.64Å; F263-W285 HydrophobicContact CZ-CZ2 3.64Å; F263-W285 AromaticContact CZ-CZ3 3.93Å; F263-W285 HydrophobicContact CZ-CZ3 3.93Å; P268-W285 HydrophobicContact CG-CD2 4.33Å; P268-W285 HydrophobicContact CG-CG 4.3Å; P268-W285 HydrophobicContact CG-CZ2 4.44Å; F269-W285 HydrophobicContact CD1-CB 3.53Å; F269-W285 HydrophobicContact CD1-CD2 4.2Å; F269-W285 AromaticContact CD1-CG 3.61Å; F269-W285 HydrophobicContact CD1-CG 3.61Å; F269-W285 HydrophobicContact CE1-CB 3.73Å; F269-W285 AromaticContact CE1-CD2 3.72Å; F269-W285 HydrophobicContact CE1-CD2 3.72Å; F269-W285 AromaticContact CE1-CE3 3.9Å; F269-W285 HydrophobicContact CE1-CE3 3.9Å; F269-W285 AromaticContact CE1-CG 3.62Å; F269-W285 HydrophobicContact CE1-CG 3.62Å; E281-W285 WeakPolarHBondContact O-CB 3.35Å; E281-W285 PolarHBondContact O-N 3.17Å; F282-W285 HydrophobicContact CD2-CE3 4.1Å; F282-W285 HydrophobicContact CE2-CE3 4.09Å; F282-W285 HydrophobicContact CE2-CZ3 4.09Å; F282-W285 PolarHBondContact O-N 3.33Å; W285-S288 PolarHBondContact O-N 2.03Å; W285-S288 PolarHBondContact O-OG 3.1Å; W285-T289 HydrophobicContact CZ2-CG2 4.03Å; W285-T289 WeakPolarHBondContact O-CA 3.22Å; W285-T289 VanDerWaalsContact O-CB 3.27Å; W285-T289 WeakPolarHBondContact O-CB 3.35Å; W285-T289 PolarHBondContact O-N 3.02Å; W285-L290 HydrophobicContact CE3-CB 4.43Å; W285-L290 HydrophobicContact CH2-CB 3.99Å; W285-L290 HydrophobicContact CH2-CD1 4.01Å; W285-L290 HydrophobicContact CH2-CD2 4.4Å; W285-L290 HydrophobicContact CH2-CG 4.35Å; W285-L290 HydrophobicContact CZ3-CB 3.86Å; W285-L290 HydrophobicContact CZ3-CD1 4.4Å; W285-L290 HydrophobicContact CZ3-CD2 3.97Å; W285-L290 HydrophobicContact CZ3-CG 4.3Å; W285-L290 PolarHBondContact O-N 3.16Å
286	R	90	Very high	79.6	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.008	21%	0.207	C	C	.	.	I	π-helix	trans	-57.2	-53	173.4	173.7	-177.8	172.4	-100.4	4.7	111.4	F282 V283 S288 L290 L291 H296 D297 S324 V325 S328	F282-R286 WeakPolarHBondContact O-CB 3.43Å; F282-R286 PolarHBondContact O-N 2.91Å; V283-R286 WeakPolarHBondContact O-CB 3.35Å; V283-R286 PolarHBondContact O-N 3.41Å; R286-S288 PolarHBondContact O-N 3.09Å; R286-L290 HydrophobicContact CB-CB 4.5Å; R286-L290 HydrophobicContact CG-CB 4.38Å; R286-L290 HydrophobicContact CG-CD2 4.37Å; R286-L290 PolarHBondContact O-N 3.3Å; R286-L291 HydrophobicContact CG-CD1 4.38Å; R286-L291 HydrophobicContact CG-CG 4.19Å; R286-L291 PolarHBondContact O-N 3.22Å; R286-H296 PolarHBondContact NE-NE2 2.98Å; R286-H296 PolarHBondContact NH2-O 2.86Å; R286-D297 PolarHBondContact NH2-O 3.09Å; R286-S324 PolarHBondContact NH1-O 3.22Å; R286-S324 PolarHBondContact NH2-O 3.01Å; R286-V325 PolarHBondContact NH1-O 2.98Å; R286-V325 VanDerWaalsContact NH1-O 3.13Å; R286-S328 WeakPolarHBondContact CD-O 3.21Å; R286-S328 PolarHBondContact NE-O 2.92Å; R286-S328 VanDerWaalsContact NE-O 3.14Å; R286-S328 PolarHBondContact NH1-O 3.34Å
287	K	78.8	Confident	80.5	Confident	58 Å²	58	38.1 Å²	38.1	25%	0.252	19%	0.194	S	C	.	.	I	π-helix	trans	-56.5	-47.8	178.6	178.4	157.1	-172.8	159.7	0	112	V283 K284 V325 A326 D500 Y512 E513	V283-K287 PolarHBondContact O-N 3.36Å; K284-K287 PolarHBondContact O-N 3.22Å; K287-V325 HydrophobicContact CB-CG1 4.46Å; K287-V325 WeakPolarHBondContact CB-O 3.45Å; K287-V325 HydrophobicContact CD-CG1 3.78Å; K287-V325 HydrophobicContact CG-CG1 3.76Å; K287-A326 HydrophobicContact CD-CB 3.86Å; K287-D500 IonicContact NZ-OD2 2.66Å; K287-D500 PolarHBondContact NZ-OD2 2.77Å; K287-Y512 PolarHBondContact NZ-OH 3.33Å; K287-Y512 VanDerWaalsContact NZ-OH 3.13Å; K287-E513 IonicContact NZ-OE1 3.47Å
288	S	75.5	Confident	81.6	Confident	80 Å²	80	33.2 Å²	33.2	56%	0.559	17%	0.171	S	C	*	.	I	π-helix	trans	-83.1	-27.4	-172.9	56.8	0	0	0	0	115.2	K284 W285 R286	K284-S288 WeakPolarHBondContact O-CB 3.25Å; K284-S288 PolarHBondContact O-N 3.11Å; K284-S288 PolarHBondContact O-OG 3.06Å; W285-S288 PolarHBondContact O-N 2.03Å; W285-S288 PolarHBondContact O-OG 3.1Å; R286-S288 PolarHBondContact O-N 3.09Å
289	T	80.9	Confident	82.1	Confident	36 Å²	36	33.2 Å²	33.2	22%	0.221	17%	0.171	C	C	.	.	I	π-helix	trans	-129.5	-36.6	-166.3	-54.3	0	0	0	0	114.4	W285 K293	W285-T289 HydrophobicContact CZ2-CG2 4.03Å; W285-T289 WeakPolarHBondContact O-CA 3.22Å; W285-T289 VanDerWaalsContact O-CB 3.27Å; W285-T289 WeakPolarHBondContact O-CB 3.35Å; W285-T289 PolarHBondContact O-N 3.02Å; T289-K293 WeakPolarHBondContact O-CD 3.34Å; T289-K293 WeakPolarHBondContact O-CE 3.46Å; T289-K293 WeakPolarHBondContact O-CG 3Å
290	L	81.4	Confident	82.8	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.	I	π-helix	trans	-88.3	-50.8	-175.9	-171.9	63.7	0	0	0	112.3	V215 V217 E261 W285 R286 K293 I294	V215-L290 HydrophobicContact CB-CD2 4.37Å; V215-L290 HydrophobicContact CG1-CD1 4.27Å; V215-L290 HydrophobicContact CG1-CD2 3.84Å; V215-L290 HydrophobicContact CG1-CG 4.47Å; V217-L290 HydrophobicContact CG2-CD2 3.8Å; E261-L290 HydrophobicContact CB-CD1 4.4Å; W285-L290 HydrophobicContact CE3-CB 4.43Å; W285-L290 HydrophobicContact CH2-CB 3.99Å; W285-L290 HydrophobicContact CH2-CD1 4.01Å; W285-L290 HydrophobicContact CH2-CD2 4.4Å; W285-L290 HydrophobicContact CH2-CG 4.35Å; W285-L290 HydrophobicContact CZ3-CB 3.86Å; W285-L290 HydrophobicContact CZ3-CD1 4.4Å; W285-L290 HydrophobicContact CZ3-CD2 3.97Å; W285-L290 HydrophobicContact CZ3-CG 4.3Å; W285-L290 PolarHBondContact O-N 3.16Å; R286-L290 HydrophobicContact CB-CB 4.5Å; R286-L290 HydrophobicContact CG-CB 4.38Å; R286-L290 HydrophobicContact CG-CD2 4.37Å; R286-L290 PolarHBondContact O-N 3.3Å; L290-K293 WeakPolarHBondContact O-CB 3.28Å; L290-K293 PolarHBondContact O-N 3.36Å; L290-I294 HydrophobicContact CD1-CD1 3.98Å; L290-I294 HydrophobicContact CD1-CG1 4.44Å; L290-I294 PolarHBondContact O-N 3.46Å
291	L	73.1	Confident	83.9	Confident	37 Å²	37	32.7 Å²	32.7	19%	0.194	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-39.2	-179.7	-85.9	173.1	0	0	0	113.7	R286 K293 I294 H296 V325	R286-L291 HydrophobicContact CG-CD1 4.38Å; R286-L291 HydrophobicContact CG-CG 4.19Å; R286-L291 PolarHBondContact O-N 3.22Å; L291-K293 PolarHBondContact O-N 2.94Å; L291-I294 WeakPolarHBondContact CA-O 3.3Å; L291-I294 CarbonylContact O-C 3.45Å; L291-H296 VanDerWaalsContact CD2-CE1 3.49Å; L291-H296 WeakPolarHBondContact CD2-CE1 3.45Å; L291-V325 HydrophobicContact CD1-CB 4.22Å; L291-V325 HydrophobicContact CD1-CG1 3.84Å; L291-V325 HydrophobicContact CD1-CG2 4.41Å; L291-V325 WeakPolarHBondContact CD1-O 2.99Å
292	P	67.4	Low	84.5	Confident	100 Å²	100	28.9 Å²	28.9	65%	0.649	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-15.7	174	-24.6	36.1	0	0	0	115.2
293	K	69.3	Low	84.7	Confident	58 Å²	58	28.9 Å²	28.9	25%	0.252	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-44.3	176.8	-59.9	174.1	-167.3	175.6	0	112.4	Y103 E261 T289 L290 L291	Y103-K293 PolarHBondContact OH-NZ 3.28Å; E261-K293 IonicContact OE1-NZ 3.56Å; E261-K293 IonicContact OE2-NZ 2.74Å; E261-K293 PolarHBondContact OE2-NZ 2.86Å; T289-K293 WeakPolarHBondContact O-CD 3.34Å; T289-K293 WeakPolarHBondContact O-CE 3.46Å; T289-K293 WeakPolarHBondContact O-CG 3Å; L290-K293 WeakPolarHBondContact O-CB 3.28Å; L290-K293 PolarHBondContact O-N 3.36Å; L291-K293 PolarHBondContact O-N 2.94Å
294	I	72.7	Confident	85.1	Confident	11 Å²	11	29 Å²	29	6%	0.056	15%	0.151	C	C	.	.	S	Bend	trans	-129.8	115.8	-174.8	-44.3	176.7	0	0	0	106.8	V93 Y95 V215 V258 L290 L291 H296	V93-I294 HydrophobicContact CG1-CD1 3.98Å; V93-I294 HydrophobicContact CG1-CG1 4.11Å; Y95-I294 HydrophobicContact CD2-CD1 3.72Å; Y95-I294 HydrophobicContact CD2-CG1 4.16Å; Y95-I294 HydrophobicContact CE2-CD1 3.67Å; Y95-I294 HydrophobicContact CE2-CG1 3.61Å; V215-I294 HydrophobicContact CG1-CD1 4.35Å; V215-I294 HydrophobicContact CG2-CB 4.36Å; V215-I294 HydrophobicContact CG2-CD1 4.29Å; V215-I294 HydrophobicContact CG2-CG2 3.81Å; V258-I294 HydrophobicContact CG2-CG2 4.08Å; L290-I294 HydrophobicContact CD1-CD1 3.98Å; L290-I294 HydrophobicContact CD1-CG1 4.44Å; L290-I294 PolarHBondContact O-N 3.46Å; L291-I294 WeakPolarHBondContact CA-O 3.3Å; L291-I294 CarbonylContact O-C 3.45Å; I294-H296 PolarHBondContact O-N 3.12Å; I294-H296 PolarHBondContact O-ND1 3.49Å
295	R	77.4	Confident	85.6	Confident	108 Å²	108	28 Å²	28	41%	0.408	15%	0.145	S	C	.	.			trans	-70.2	130.1	166.7	-171.9	172.6	-175.4	128.2	7.3	108.3	Q494	R295-Q494 VanDerWaalsContact CZ-CD 3.46Å
296	H	84.3	Confident	85.3	Confident	6 Å²	6	33 Å²	33	3%	0.028	18%	0.183	C	C	.	.			trans	-163.7	151	-178.2	63.2	-80.1	0	0	0	110.7	E213 V215 V258 R286 L291 I294 I298	E213-H296 HydrophobicContact CB-CB 4.47Å; V215-H296 HydrophobicContact CB-CB 4.41Å; V215-H296 HydrophobicContact CG2-CB 3.54Å; V215-H296 VanDerWaalsContact CG2-CG 3.49Å; V258-H296 HydrophobicContact CG2-CB 3.8Å; R286-H296 PolarHBondContact NE-NE2 2.98Å; R286-H296 PolarHBondContact NH2-O 2.86Å; L291-H296 VanDerWaalsContact CD2-CE1 3.49Å; L291-H296 WeakPolarHBondContact CD2-CE1 3.45Å; I294-H296 PolarHBondContact O-N 3.12Å; I294-H296 PolarHBondContact O-ND1 3.49Å; H296-I298 PolarHBondContact CD2-O 2.7Å
297	D	88.9	Confident	85	Confident	8 Å²	8	34.4 Å²	34.4	4%	0.043	20%	0.198	C	C	.	.	S	Bend	trans	-77.9	-48.2	-177.6	-58.4	-34.6	0	0	0	111.4	E213 R286 S328 C401 L402	E213-D297 HydrophobicContact CB-CB 4.39Å; E213-D297 WeakPolarHBondContact CB-OD2 3.07Å; E213-D297 PolarHBondContact N-OD2 3.5Å; E213-D297 PolarHBondContact O-N 3.19Å; R286-D297 PolarHBondContact NH2-O 3.09Å; D297-S328 VanDerWaalsContact O-CB 3.26Å; D297-S328 WeakPolarHBondContact O-CB 3.37Å; D297-S328 PolarHBondContact O-OG 2.9Å; D297-C401 VanDerWaalsContact CG-SG 3.5Å; D297-C401 WeakPolarHBondContact OD1-CB 3.24Å; D297-C401 PolarHBondContact OD1-SG 3.08Å; D297-L402 HydrophobicContact CB-CD2 4.33Å
298	I	94	Very high	85.3	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	130.2	-174	-56.6	-178	0	0	0	110.4	V212 E213 V215 H296 Q300 V322 N353 L354	V212-I298 HydrophobicContact CG1-CB 4.36Å; V212-I298 HydrophobicContact CG1-CD1 3.78Å; V212-I298 HydrophobicContact CG1-CG1 4.07Å; E213-I298 PolarHBondContact O-N 2.73Å; V215-I298 PolarHBondContact N-O 2.82Å; H296-I298 PolarHBondContact CD2-O 2.7Å; I298-Q300 HydrophobicContact CG2-CG 4.12Å; I298-V322 HydrophobicContact CD1-CB 4.42Å; I298-V322 HydrophobicContact CD1-CG2 3.93Å; I298-V322 HydrophobicContact CG1-CG2 3.95Å; I298-N353 HydrophobicContact CD1-CB 3.93Å; I298-N353 HydrophobicContact CG1-CB 4.5Å; I298-N353 VanDerWaalsContact CG2-OD1 3.31Å; I298-N353 WeakPolarHBondContact CG2-OD1 3.49Å; I298-L354 HydrophobicContact CD1-CD2 4.43Å; I298-L354 HydrophobicContact CD1-CG 4.27Å
299	G	95.4	Very high	85.6	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	133.2	169.1	0	0	0	0	0	111.6	V215 F282 S328 G329 G330	V215-G299 WeakPolarHBondContact O-CA 3.5Å; F282-G299 WeakPolarHBondContact CE1-O 3.07Å; G299-S328 PolarHBondContact N-O 2.88Å; G299-G329 CarbonylContact O-C 3.41Å; G299-G329 WeakPolarHBondContact O-CA 3.21Å; G299-G330 PolarHBondContact O-N 2.99Å; G299-G330 VanDerWaalsContact O-N 3.12Å
300	Q	98	Very high	85.1	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	119.1	177.3	-69.3	-67.3	-24.4	0	0	110.6	L214 V215 L216 V217 I298 G330 N332 V346 M350 N353	L214-Q300 HydrophobicContact CD1-CB 4.29Å; L214-Q300 HydrophobicContact CD1-CG 3.89Å; V215-Q300 PolarHBondContact O-N 2.95Å; L216-Q300 HydrophobicContact CD2-CB 4.07Å; V217-Q300 PolarHBondContact N-O 2.71Å; I298-Q300 HydrophobicContact CG2-CG 4.12Å; Q300-G330 WeakPolarHBondContact CA-O 3.36Å; Q300-G330 VanDerWaalsContact OE1-C 3.28Å; Q300-G330 VanDerWaalsContact OE1-CA 3.25Å; Q300-G330 PolarHBondContact OE1-O 3.49Å; Q300-N332 PolarHBondContact OE1-ND2 3.01Å; Q300-V346 HydrophobicContact CB-CG1 4.35Å; Q300-V346 HydrophobicContact CG-CG1 4.2Å; Q300-M350 HydrophobicContact CG-CG 3.91Å; Q300-M350 HydrophobicContact CG-SD 4.45Å; Q300-N353 PolarHBondContact NE2-OD1 2.92Å
301	L	98.1	Very high	84.5	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	130.9	176.7	-176.2	68.2	0	0	0	110.5	V217 F263 F269 V278 F282 V303 G330 I331 N332	V217-L301 HydrophobicContact CB-CD1 3.99Å; V217-L301 HydrophobicContact CG1-CD1 3.73Å; V217-L301 CarbonylContact O-C 3.58Å; V217-L301 WeakPolarHBondContact O-CA 3.25Å; F263-L301 HydrophobicContact CE2-CD1 4.32Å; F269-L301 HydrophobicContact CE2-CD2 3.83Å; F269-L301 HydrophobicContact CZ-CD1 4.24Å; F269-L301 HydrophobicContact CZ-CD2 3.93Å; V278-L301 HydrophobicContact CG1-CD2 4.2Å; F282-L301 HydrophobicContact CB-CD2 4.16Å; F282-L301 HydrophobicContact CD1-CB 3.93Å; F282-L301 HydrophobicContact CD2-CB 3.89Å; F282-L301 HydrophobicContact CD2-CD1 4.22Å; F282-L301 HydrophobicContact CD2-CD2 4.16Å; F282-L301 HydrophobicContact CD2-CG 4.31Å; F282-L301 HydrophobicContact CE1-CB 3.89Å; F282-L301 HydrophobicContact CE2-CB 3.86Å; F282-L301 HydrophobicContact CE2-CD1 4.28Å; F282-L301 HydrophobicContact CG-CB 3.92Å; F282-L301 HydrophobicContact CG-CD2 4.12Å; F282-L301 HydrophobicContact CZ-CB 3.86Å; L301-V303 HydrophobicContact CD2-CG2 3.67Å; L301-V303 HydrophobicContact CG-CG2 3.72Å; L301-G330 PolarHBondContact N-O 2.65Å; L301-I331 HydrophobicContact CB-CB 4.26Å; L301-I331 HydrophobicContact CB-CG2 3.94Å; L301-I331 HydrophobicContact CD2-CB 4.46Å; L301-I331 HydrophobicContact CD2-CG2 3.95Å; L301-I331 CarbonylContact O-C 3.37Å; L301-I331 WeakPolarHBondContact O-CA 3.48Å; L301-N332 PolarHBondContact O-N 3.28Å; L301-N332 PolarHBondContact O-ND2 3.41Å
302	I	97.9	Very high	84.5	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	114.3	176.5	-52.4	-54.4	0	0	0	108.2	L216 V217 V218 D219 R222 M237 M240 N332 Y334 V346	L216-I302 HydrophobicContact CD2-CD1 4.27Å; L216-I302 HydrophobicContact CD2-CG1 4.37Å; V217-I302 PolarHBondContact O-N 3.49Å; V218-I302 HydrophobicContact CG2-CB 4.4Å; D219-I302 PolarHBondContact N-O 2.72Å; R222-I302 HydrophobicContact CG-CG2 4.41Å; M237-I302 HydrophobicContact CE-CG2 4.38Å; M237-I302 HydrophobicContact SD-CB 4.42Å; M237-I302 HydrophobicContact SD-CG1 3.82Å; M237-I302 HydrophobicContact SD-CG2 4.43Å; M240-I302 HydrophobicContact CE-CD1 4.34Å; M240-I302 HydrophobicContact SD-CD1 3.9Å; M240-I302 HydrophobicContact SD-CG1 4.47Å; I302-N332 WeakPolarHBondContact CA-O 3.37Å; I302-N332 HydrophobicContact CD1-CB 4.02Å; I302-Y334 HydrophobicContact CG2-CD1 3.85Å; I302-Y334 HydrophobicContact CG2-CG 4.33Å; I302-V346 HydrophobicContact CD1-CG2 3.85Å
303	V	95.8	Very high	85	Confident	0 Å²	0	30 Å²	30	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	112.5	-168.5	-176.9	0	0	0	0	110.5	V271 L301 R305 N332 V333 Y334	V271-V303 HydrophobicContact CB-CG1 4.35Å; L301-V303 HydrophobicContact CD2-CG2 3.67Å; L301-V303 HydrophobicContact CG-CG2 3.72Å; V303-R305 HydrophobicContact CG1-CB 4.24Å; V303-R305 HydrophobicContact CG1-CG 3.6Å; V303-R305 PolarHBondContact O-N 3.47Å; V303-N332 PolarHBondContact N-O 3.42Å; V303-V333 WeakPolarHBondContact O-CA 3.24Å; V303-Y334 PolarHBondContact O-N 3Å
304	G	94.1	Very high	85.8	Confident	9 Å²	9	27.6 Å²	27.6	9%	0.093	19%	0.194	C	C	.	.			trans	-79.9	32.8	-177.1	0	0	0	0	0	115.5	D219	D219-G304 PolarHBondContact OD1-N 2.93Å
305	R	92.1	Very high	86.4	Confident	55 Å²	55	27.1 Å²	27.1	21%	0.208	19%	0.192	C	C	.	.			trans	-64.7	146	173.9	-75	166.6	74.3	92.3	14.7	109.9	L221 V271 D272 V303 G307 S335	L221-R305 HydrophobicContact CD1-CG 3.79Å; V271-R305 PolarHBondContact O-NH1 2.72Å; D272-R305 IonicContact OD1-CZ 3.31Å; D272-R305 IonicContact OD1-NH1 2.73Å; D272-R305 PolarHBondContact OD1-NH1 3.35Å; V303-R305 HydrophobicContact CG1-CB 4.24Å; V303-R305 HydrophobicContact CG1-CG 3.6Å; V303-R305 PolarHBondContact O-N 3.47Å; R305-G307 PolarHBondContact O-N 2.73Å; R305-G307 VanDerWaalsContact O-N 3.15Å; R305-S335 WeakPolarHBondContact O-CA 3.48Å; R305-S335 WeakPolarHBondContact O-CB 3.44Å
306	S	85.6	Confident	86.7	Confident	125 Å²	125	22.2 Å²	22.2	87%	0.874	17%	0.173	S	C	*	.	S	Bend	trans	-69.4	-8.9	-177.1	52.2	0	0	0	0	115.2
307	G	84.7	Confident	86.7	Confident	31 Å²	31	21.9 Å²	21.9	32%	0.32	17%	0.172	S	C	.	.	S	Bend	trans	-161.6	176.2	178.5	0	0	0	0	0	111.3	R305	R305-G307 PolarHBondContact O-N 2.73Å; R305-G307 VanDerWaalsContact O-N 3.15Å
308	S	83.6	Confident	86.1	Confident	57 Å²	57	23.5 Å²	23.5	40%	0.399	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-60.1	162.7	177.2	43.7	0	0	0	0	113.1	G312 V313	S308-G312 VanDerWaalsContact CB-C 3.45Å; S308-G312 WeakPolarHBondContact CB-O 3.41Å; S308-V313 WeakPolarHBondContact CA-O 2.98Å; S308-V313 VanDerWaalsContact CB-O 3.29Å; S308-V313 WeakPolarHBondContact CB-O 3.45Å
309	Y	82.2	Confident	85.3	Confident	6 Å²	6	24.9 Å²	24.9	2%	0.024	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-70.8	163.6	163.2	-65.4	-88.6	0	0	0	110.2	V271 G273 A275 V278 G311 G312 V313 I331 V333	V271-Y309 PolarHBondContact O-OH 2.98Å; G273-Y309 WeakPolarHBondContact O-CD1 3.43Å; A275-Y309 HydrophobicContact CB-CD1 4.25Å; A275-Y309 HydrophobicContact CB-CD2 3.66Å; A275-Y309 HydrophobicContact CB-CE2 4.07Å; A275-Y309 HydrophobicContact CB-CG 3.75Å; V278-Y309 HydrophobicContact CG2-CE1 3.99Å; Y309-G311 PolarHBondContact O-N 3.2Å; Y309-G312 PolarHBondContact O-N 3.25Å; Y309-G312 VanDerWaalsContact O-N 3.14Å; Y309-V313 PolarHBondContact N-O 2.99Å; Y309-V313 PolarHBondContact O-N 3.24Å; Y309-I331 HydrophobicContact CE2-CD1 4.08Å; Y309-V333 HydrophobicContact CD2-CG2 3.56Å; Y309-V333 HydrophobicContact CE2-CG2 3.44Å; Y309-V333 VanDerWaalsContact CE2-CG2 3.44Å
310	G	70.4	Confident	84.4	Confident	65 Å²	65	26.2 Å²	26.2	67%	0.67	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	131.7	-178.9	0	0	0	0	0	111.9
311	G	68.8	Low	83.6	Confident	65 Å²	65	27.3 Å²	27.3	67%	0.67	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.7	2.5	-172.3	0	0	0	0	0	115.3	T174 Y309	T174-G311 PolarHBondContact OG1-O 3.16Å; Y309-G311 PolarHBondContact O-N 3.2Å
312	G	74.8	Confident	82.8	Confident	20 Å²	20	27.7 Å²	27.7	21%	0.206	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	2.8	179.5	0	0	0	0	0	114.2	S308 Y309 L314	S308-G312 VanDerWaalsContact CB-C 3.45Å; S308-G312 WeakPolarHBondContact CB-O 3.41Å; Y309-G312 PolarHBondContact O-N 3.25Å; Y309-G312 VanDerWaalsContact O-N 3.14Å; G312-L314 PolarHBondContact O-N 2.9Å
313	V	77.5	Confident	81.9	Confident	5 Å²	5	29.8 Å²	29.8	3%	0.03	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-65.9	116.5	-170.1	-177.2	0	0	0	0	112.3	T174 A275 S308 Y309 G315 M316	T174-V313 WeakPolarHBondContact O-CA 3.34Å; A275-V313 HydrophobicContact CB-CG1 4.01Å; S308-V313 WeakPolarHBondContact CA-O 2.98Å; S308-V313 VanDerWaalsContact CB-O 3.29Å; S308-V313 WeakPolarHBondContact CB-O 3.45Å; Y309-V313 PolarHBondContact N-O 2.99Å; Y309-V313 PolarHBondContact O-N 3.24Å; V313-G315 WeakPolarHBondContact CG1-O 3.38Å; V313-M316 HydrophobicContact CG1-CE 4.38Å
314	L	85.3	Confident	81	Confident	8 Å²	8	30.4 Å²	30.4	4%	0.042	23%	0.227	C	C	.	.			trans	-99.2	-28	171.4	-67.8	-172.8	0	0	0	114.2	V173 G312 N332 V333 F341 V345	V173-L314 HydrophobicContact CB-CD1 4.47Å; V173-L314 HydrophobicContact CG1-CB 4.28Å; V173-L314 HydrophobicContact CG1-CD1 3.54Å; V173-L314 HydrophobicContact CG1-CG 3.71Å; V173-L314 HydrophobicContact CG2-CD1 4.04Å; G312-L314 PolarHBondContact O-N 2.9Å; L314-N332 CarbonylContact O-C 3.46Å; L314-N332 WeakPolarHBondContact O-CA 3.45Å; L314-V333 HydrophobicContact CB-CB 4.47Å; L314-V333 HydrophobicContact CD2-CB 3.83Å; L314-V333 HydrophobicContact CD2-CG1 3.89Å; L314-V333 PolarHBondContact O-N 3.22Å; L314-F341 HydrophobicContact CD1-CE1 3.73Å; L314-F341 HydrophobicContact CD1-CZ 4.37Å; L314-V345 HydrophobicContact CB-CG1 4.19Å; L314-V345 HydrophobicContact CB-CG2 4.5Å; L314-V345 HydrophobicContact CD1-CG2 4.42Å
315	G	86.2	Confident	80	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	158.9	-177.5	0	0	0	0	0	111.4	V313 I331 E349	V313-G315 WeakPolarHBondContact CG1-O 3.38Å; G315-I331 CarbonylContact C-O 3.57Å; G315-I331 WeakPolarHBondContact CA-O 3.36Å; G315-E349 VanDerWaalsContact C-CD 3.47Å; G315-E349 VanDerWaalsContact CA-OE1 3.27Å; G315-E349 WeakPolarHBondContact CA-OE1 3.41Å
316	M	83.1	Confident	78.9	Confident	5 Å²	5	30.2 Å²	30.2	3%	0.025	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	129.7	170.4	179.2	171.4	-54.9	0	0	112	A275 G276 L279 V313 G330 I331 E349 D609	A275-M316 VanDerWaalsContact C-CE 3.49Å; A275-M316 HydrophobicContact CB-CB 4.09Å; A275-M316 HydrophobicContact CB-CE 3.15Å; A275-M316 HydrophobicContact CB-SD 3.81Å; G276-M316 WeakPolarHBondContact CA-SD 3.35Å; G276-M316 PolarHBondContact N-SD 2.98Å; L279-M316 HydrophobicContact CB-CG 4.34Å; L279-M316 HydrophobicContact CB-SD 4.28Å; L279-M316 HydrophobicContact CD2-CG 3.71Å; L279-M316 HydrophobicContact CD2-SD 4.32Å; V313-M316 HydrophobicContact CG1-CE 4.38Å; M316-G330 CarbonylContact O-C 3.58Å; M316-G330 WeakPolarHBondContact O-CA 3.39Å; M316-I331 HydrophobicContact CB-CG1 3.99Å; M316-I331 PolarHBondContact N-O 2.88Å; M316-I331 PolarHBondContact O-N 2.73Å; M316-E349 WeakPolarHBondContact CA-OE2 3.36Å; M316-E349 PolarHBondContact N-OE2 3.29Å; M316-E349 VanDerWaalsContact N-OE2 3.1Å; M316-D609 HydrophobicContact CB-CB 3.94Å; M316-D609 HydrophobicContact CE-CB 3.03Å; M316-D609 HydrophobicContact CG-CB 3.44Å; M316-D609 VanDerWaalsContact CG-CB 3.44Å; M316-D609 WeakPolarHBondContact CG-O 3.17Å; M316-D609 WeakPolarHBondContact SD-CA 3.46Å; M316-D609 HydrophobicContact SD-CB 3.65Å
317	A	84.6	Confident	78.6	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	157.1	178.8	0	0	0	0	0	113.5	E349 H352	A317-E349 HydrophobicContact CB-CB 3.88Å; A317-E349 VanDerWaalsContact CB-O 3.24Å; A317-E349 WeakPolarHBondContact CB-O 3.43Å; A317-E349 WeakPolarHBondContact CB-OE2 3.37Å; A317-E349 PolarHBondContact N-OE2 2.82Å; A317-H352 HydrophobicContact CB-CB 4.01Å
318	Y	76.1	Confident	78.7	Confident	42 Å²	42	24.1 Å²	24.1	17%	0.165	19%	0.185	C	C	.	.			trans	-78.9	138.2	172	-64.8	-78.2	0	0	0	111.9	L279 V283 T321 S327 H352 N353 L611	L279-Y318 HydrophobicContact CD1-CD2 4.29Å; L279-Y318 HydrophobicContact CD1-CE2 4.15Å; L279-Y318 HydrophobicContact CD2-CD2 3.74Å; L279-Y318 HydrophobicContact CD2-CE2 3.61Å; L279-Y318 HydrophobicContact CD2-CG 4.25Å; L279-Y318 HydrophobicContact CG-CD2 4.08Å; L279-Y318 HydrophobicContact CG-CE2 3.62Å; V283-Y318 HydrophobicContact CG1-CD2 4.31Å; V283-Y318 HydrophobicContact CG1-CE2 4.01Å; V283-Y318 HydrophobicContact CG2-CE2 3.84Å; Y318-T321 VanDerWaalsContact CB-CG2 3.45Å; Y318-T321 HydrophobicContact CG-CG2 4.42Å; Y318-T321 PolarHBondContact O-OG1 3.17Å; Y318-S327 WeakPolarHBondContact CD2-O 3.08Å; Y318-H352 CarbonylContact O-C 3.53Å; Y318-N353 WeakPolarHBondContact O-CA 3.21Å; Y318-N353 PolarHBondContact O-N 2.99Å; Y318-N353 PolarHBondContact O-ND2 2.92Å; Y318-L611 HydrophobicContact CD1-CB 3.67Å; Y318-L611 HydrophobicContact CD1-CD2 4.31Å; Y318-L611 HydrophobicContact CE1-CB 3.58Å; Y318-L611 HydrophobicContact CE1-CD2 3.77Å; Y318-L611 HydrophobicContact CE1-CG 4.29Å
319	V	77.6	Confident	79.1	Confident	29 Å²	29	21.4 Å²	21.4	18%	0.176	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	133.1	-178.7	169.6	0	0	0	0	113.2	T321 H352 V610	V319-T321 PolarHBondContact O-N 3.49Å; V319-H352 CarbonylContact C-O 3.5Å; V319-H352 WeakPolarHBondContact CA-O 3.09Å; V319-H352 HydrophobicContact CG2-CB 3.7Å; V319-H352 WeakPolarHBondContact CG2-CE1 3.45Å; V319-H352 VanDerWaalsContact CG2-ND1 3.32Å; V319-H352 WeakPolarHBondContact CG2-ND1 3.47Å; V319-V610 HydrophobicContact CB-CG1 3.87Å; V319-V610 HydrophobicContact CG2-CB 4.21Å; V319-V610 HydrophobicContact CG2-CG1 3.41Å; V319-V610 VanDerWaalsContact CG2-CG1 3.41Å; V319-V610 HydrophobicContact CG2-CG2 3.68Å
320	G	76	Confident	79.5	Confident	28 Å²	28	21.1 Å²	21.1	29%	0.289	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	14.9	173.8	0	0	0	0	0	114.7	H352 N353	G320-H352 PolarHBondContact N-O 3.15Å; G320-N353 CarbonylContact C-O 3.46Å; G320-N353 WeakPolarHBondContact CA-O 3.15Å
321	T	80.4	Confident	80.7	Confident	23 Å²	23	18 Å²	18	14%	0.141	13%	0.133	C	C	.	.			trans	-93.5	7.2	-173.8	61.3	0	0	0	0	114.3	Y318 V319 C323 S324 S327 S328 N353	Y318-T321 VanDerWaalsContact CB-CG2 3.45Å; Y318-T321 HydrophobicContact CG-CG2 4.42Å; Y318-T321 PolarHBondContact O-OG1 3.17Å; V319-T321 PolarHBondContact O-N 3.49Å; T321-C323 PolarHBondContact O-N 2.66Å; T321-S324 WeakPolarHBondContact O-CB 3.34Å; T321-S324 PolarHBondContact O-N 3.02Å; T321-S327 WeakPolarHBondContact CB-O 3.35Å; T321-S327 WeakPolarHBondContact CB-OG 3.45Å; T321-S327 VanDerWaalsContact CG2-OG 3.22Å; T321-S327 WeakPolarHBondContact CG2-OG 3.48Å; T321-S327 PolarHBondContact OG1-O 2.94Å; T321-S328 WeakPolarHBondContact O-CA 3.49Å; T321-S328 WeakPolarHBondContact O-CB 3.03Å; T321-S328 PolarHBondContact O-OG 2.99Å; T321-S328 VanDerWaalsContact O-OG 3.05Å; T321-N353 PolarHBondContact N-O 3.01Å; T321-N353 VanDerWaalsContact N-O 3.15Å; T321-N353 PolarHBondContact OG1-ND2 2.96Å
322	V	83.3	Confident	81.9	Confident	8 Å²	8	15 Å²	15	5%	0.048	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	136.2	170.7	66.1	0	0	0	0	111.4	I298 S324 S328 N353 L354 L393 L402	I298-V322 HydrophobicContact CD1-CB 4.42Å; I298-V322 HydrophobicContact CD1-CG2 3.93Å; I298-V322 HydrophobicContact CG1-CG2 3.95Å; V322-S324 VanDerWaalsContact C-N 3.27Å; V322-S324 PolarHBondContact O-N 3.35Å; V322-S328 VanDerWaalsContact CA-OG 3.28Å; V322-S328 WeakPolarHBondContact CA-OG 3.44Å; V322-N353 VanDerWaalsContact CB-O 3.31Å; V322-N353 WeakPolarHBondContact CB-O 3.32Å; V322-N353 WeakPolarHBondContact CG1-O 3.38Å; V322-N353 PolarHBondContact N-O 3.36Å; V322-L354 HydrophobicContact CB-CD2 4.27Å; V322-L354 HydrophobicContact CG1-CD2 4.31Å; V322-L354 HydrophobicContact CG2-CD2 4.02Å; V322-L393 HydrophobicContact CG1-CD2 3.63Å; V322-L402 HydrophobicContact CG1-CD1 4.25Å; V322-L402 HydrophobicContact CG2-CD1 3.94Å; V322-L402 HydrophobicContact CG2-CD2 3.64Å; V322-L402 HydrophobicContact CG2-CG 3.96Å
323	C	77.9	Confident	82.8	Confident	43 Å²	43	14 Å²	14	29%	0.291	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	-11	-168.7	-39.3	0	0	0	0	116.9	T321 G399 V400 C401	T321-C323 PolarHBondContact O-N 2.66Å; C323-G399 VanDerWaalsContact SG-C 3.56Å; C323-G399 VanDerWaalsContact SG-CA 3.53Å; C323-V400 PolarHBondContact SG-N 3.16Å; C323-C401 WeakPolarHBondContact CA-SG 3.37Å; C323-C401 HydrophobicContact CB-CB 3.73Å; C323-C401 WeakPolarHBondContact CB-SG 3.26Å; C323-C401 WeakPolarHBondContact SG-CB 3.49Å; C323-C401 PolarHBondContact SG-N 3.12Å; C323-C401 CovalentContact SG-SG 2.02Å; C323-C401 PolarHBondContact SG-SG 2.9Å
324	S	76.9	Confident	83.5	Confident	14 Å²	14	13.8 Å²	13.8	10%	0.098	9%	0.09	C	C	.	.			trans	-64.2	136.9	174.5	171.5	0	0	0	0	111.3	R286 T321 V322 A326 S327 S328 E513	R286-S324 PolarHBondContact NH1-O 3.22Å; R286-S324 PolarHBondContact NH2-O 3.01Å; T321-S324 WeakPolarHBondContact O-CB 3.34Å; T321-S324 PolarHBondContact O-N 3.02Å; V322-S324 VanDerWaalsContact C-N 3.27Å; V322-S324 PolarHBondContact O-N 3.35Å; S324-A326 PolarHBondContact OG-N 3.19Å; S324-S327 WeakPolarHBondContact CB-OG 3.38Å; S324-S327 PolarHBondContact OG-N 2.92Å; S324-S327 PolarHBondContact OG-OG 2.59Å; S324-S328 WeakPolarHBondContact O-CB 3.4Å; S324-S328 PolarHBondContact O-N 3.43Å; S324-E513 WeakPolarHBondContact CB-OE2 3.42Å; S324-E513 VanDerWaalsContact OG-CD 3.31Å; S324-E513 PolarHBondContact OG-OE1 2.68Å; S324-E513 PolarHBondContact OG-OE2 3.46Å
325	V	72.2	Confident	83.6	Confident	40 Å²	40	14.6 Å²	14.6	24%	0.242	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-34.3	174.8	170	0	0	0	0	110.8	R286 K287 L291 E513	R286-V325 PolarHBondContact NH1-O 2.98Å; R286-V325 VanDerWaalsContact NH1-O 3.13Å; K287-V325 HydrophobicContact CB-CG1 4.46Å; K287-V325 WeakPolarHBondContact CB-O 3.45Å; K287-V325 HydrophobicContact CD-CG1 3.78Å; K287-V325 HydrophobicContact CG-CG1 3.76Å; L291-V325 HydrophobicContact CD1-CB 4.22Å; L291-V325 HydrophobicContact CD1-CG1 3.84Å; L291-V325 HydrophobicContact CD1-CG2 4.41Å; L291-V325 WeakPolarHBondContact CD1-O 2.99Å; V325-E513 PolarHBondContact N-OE1 3.26Å
326	A	70.8	Confident	83.5	Confident	20 Å²	20	16.1 Å²	16.1	17%	0.165	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-21.6	-173.9	0	0	0	0	0	115.5	V283 K287 S324 Y512 E513	V283-A326 VanDerWaalsContact CB-O 3.23Å; V283-A326 WeakPolarHBondContact CB-O 3.36Å; V283-A326 WeakPolarHBondContact CG2-O 3.19Å; K287-A326 HydrophobicContact CD-CB 3.86Å; S324-A326 PolarHBondContact OG-N 3.19Å; A326-Y512 VanDerWaalsContact CB-OH 3.23Å; A326-Y512 WeakPolarHBondContact CB-OH 3.34Å; A326-E513 WeakPolarHBondContact CA-OE1 3.48Å; A326-E513 WeakPolarHBondContact CB-OE1 3.05Å; A326-E513 PolarHBondContact N-OE1 2.87Å
327	S	79.4	Confident	83.6	Confident	27 Å²	27	18.7 Å²	18.7	19%	0.189	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138	5.7	-172.9	60.3	0	0	0	0	115.4	Y318 T321 S324 G329	Y318-S327 WeakPolarHBondContact CD2-O 3.08Å; T321-S327 WeakPolarHBondContact CB-O 3.35Å; T321-S327 WeakPolarHBondContact CB-OG 3.45Å; T321-S327 VanDerWaalsContact CG2-OG 3.22Å; T321-S327 WeakPolarHBondContact CG2-OG 3.48Å; T321-S327 PolarHBondContact OG1-O 2.94Å; S324-S327 WeakPolarHBondContact CB-OG 3.38Å; S324-S327 PolarHBondContact OG-N 2.92Å; S324-S327 PolarHBondContact OG-OG 2.59Å; S327-G329 PolarHBondContact O-N 3.4Å
328	S	86.9	Confident	83.7	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.122	C	C	.	.			trans	-78.2	85.9	174.6	-154.5	0	0	0	0	112.8	R286 D297 G299 T321 V322 S324	R286-S328 WeakPolarHBondContact CD-O 3.21Å; R286-S328 PolarHBondContact NE-O 2.92Å; R286-S328 VanDerWaalsContact NE-O 3.14Å; R286-S328 PolarHBondContact NH1-O 3.34Å; D297-S328 VanDerWaalsContact O-CB 3.26Å; D297-S328 WeakPolarHBondContact O-CB 3.37Å; D297-S328 PolarHBondContact O-OG 2.9Å; G299-S328 PolarHBondContact N-O 2.88Å; T321-S328 WeakPolarHBondContact O-CA 3.49Å; T321-S328 WeakPolarHBondContact O-CB 3.03Å; T321-S328 PolarHBondContact O-OG 2.99Å; T321-S328 VanDerWaalsContact O-OG 3.05Å; V322-S328 VanDerWaalsContact CA-OG 3.28Å; V322-S328 WeakPolarHBondContact CA-OG 3.44Å; S324-S328 WeakPolarHBondContact O-CB 3.4Å; S324-S328 PolarHBondContact O-N 3.43Å
329	G	90.3	Very high	84.4	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.2	178	172.2	0	0	0	0	0	114.3	G299 S327 N353	G299-G329 CarbonylContact O-C 3.41Å; G299-G329 WeakPolarHBondContact O-CA 3.21Å; S327-G329 PolarHBondContact O-N 3.4Å; G329-N353 VanDerWaalsContact C-OD1 3.31Å; G329-N353 WeakPolarHBondContact CA-OD1 3.42Å; G329-N353 PolarHBondContact N-ND2 3.47Å; G329-N353 PolarHBondContact O-ND2 3.02Å; G329-N353 PolarHBondContact O-OD1 3Å
330	G	92.2	Very high	85	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	168.5	179	0	0	0	0	0	112.3	F282 G299 Q300 L301 M316	F282-G330 VanDerWaalsContact CE1-O 3.27Å; F282-G330 WeakPolarHBondContact CE1-O 3.45Å; G299-G330 PolarHBondContact O-N 2.99Å; G299-G330 VanDerWaalsContact O-N 3.12Å; Q300-G330 WeakPolarHBondContact CA-O 3.36Å; Q300-G330 VanDerWaalsContact OE1-C 3.28Å; Q300-G330 VanDerWaalsContact OE1-CA 3.25Å; Q300-G330 PolarHBondContact OE1-O 3.49Å; L301-G330 PolarHBondContact N-O 2.65Å; M316-G330 CarbonylContact O-C 3.58Å; M316-G330 WeakPolarHBondContact O-CA 3.39Å
331	I	94.2	Very high	85.7	Confident	1 Å²	1	15 Å²	15	1%	0.005	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	145.5	173.7	71.7	169.2	0	0	0	110.1	A275 V278 L279 F282 L301 Y309 G315 M316	A275-I331 HydrophobicContact CB-CD1 3.77Å; A275-I331 VanDerWaalsContact O-CD1 3.24Å; A275-I331 WeakPolarHBondContact O-CD1 3.2Å; V278-I331 HydrophobicContact CB-CD1 3.75Å; V278-I331 HydrophobicContact CG1-CD1 3.81Å; V278-I331 HydrophobicContact CG1-CG2 4.46Å; L279-I331 HydrophobicContact CB-CD1 4.38Å; L279-I331 HydrophobicContact CB-CG1 4.43Å; L279-I331 HydrophobicContact CB-CG2 4.15Å; L279-I331 HydrophobicContact CD1-CG2 4.04Å; F282-I331 HydrophobicContact CB-CG2 4.11Å; F282-I331 HydrophobicContact CD1-CG2 3.91Å; F282-I331 HydrophobicContact CG-CG2 4.26Å; L301-I331 HydrophobicContact CB-CB 4.26Å; L301-I331 HydrophobicContact CB-CG2 3.94Å; L301-I331 HydrophobicContact CD2-CB 4.46Å; L301-I331 HydrophobicContact CD2-CG2 3.95Å; L301-I331 CarbonylContact O-C 3.37Å; L301-I331 WeakPolarHBondContact O-CA 3.48Å; Y309-I331 HydrophobicContact CE2-CD1 4.08Å; G315-I331 CarbonylContact C-O 3.57Å; G315-I331 WeakPolarHBondContact CA-O 3.36Å; M316-I331 HydrophobicContact CB-CG1 3.99Å; M316-I331 PolarHBondContact N-O 2.88Å; M316-I331 PolarHBondContact O-N 2.73Å
332	N	94.8	Very high	86.2	Confident	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	122.9	-169.4	-55.1	-93	0	0	0	110.3	Q300 L301 I302 V303 L314 V346 E349	Q300-N332 PolarHBondContact OE1-ND2 3.01Å; L301-N332 PolarHBondContact O-N 3.28Å; L301-N332 PolarHBondContact O-ND2 3.41Å; I302-N332 WeakPolarHBondContact CA-O 3.37Å; I302-N332 HydrophobicContact CD1-CB 4.02Å; V303-N332 PolarHBondContact N-O 3.42Å; L314-N332 CarbonylContact O-C 3.46Å; L314-N332 WeakPolarHBondContact O-CA 3.45Å; N332-V346 HydrophobicContact CB-CG2 3.84Å; N332-V346 VanDerWaalsContact OD1-CA 3.26Å; N332-V346 WeakPolarHBondContact OD1-CA 3.49Å; N332-V346 PolarHBondContact OD1-N 2.91Å; N332-E349 WeakPolarHBondContact OD1-CG 3.4Å
333	V	93.2	Very high	86.8	Confident	1 Å²	1	13.7 Å²	13.7	1%	0.006	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	123.5	177.4	176.3	0	0	0	0	109.8	V303 Y309 L314	V303-V333 WeakPolarHBondContact O-CA 3.24Å; Y309-V333 HydrophobicContact CD2-CG2 3.56Å; Y309-V333 HydrophobicContact CE2-CG2 3.44Å; Y309-V333 VanDerWaalsContact CE2-CG2 3.44Å; L314-V333 HydrophobicContact CB-CB 4.47Å; L314-V333 HydrophobicContact CD2-CB 3.83Å; L314-V333 HydrophobicContact CD2-CG1 3.89Å; L314-V333 PolarHBondContact O-N 3.22Å
334	Y	92.9	Very high	87.5	Confident	0 Å²	0	12 Å²	12	0%	0	7%	0.074	C	C	.	.			trans	-123.2	78.7	174.9	-164.3	-179.6	0	0	0	110.7	R222 E236 M237 M240 I302 V303 N336 D337 L339 V342	R222-Y334 VanDerWaalsContact CZ-CD1 3.48Å; R222-Y334 PolarHBondContact NH1-O 3.2Å; R222-Y334 PolarHBondContact NH2-OH 3.34Å; E236-Y334 VanDerWaalsContact CD-CE1 3.43Å; E236-Y334 HydrophobicContact CG-CE1 3.94Å; E236-Y334 PolarHBondContact OE1-OH 3.44Å; E236-Y334 VanDerWaalsContact OE1-OH 3.14Å; E236-Y334 VanDerWaalsContact OE2-CE1 3.22Å; E236-Y334 WeakPolarHBondContact OE2-CE1 3.35Å; M237-Y334 HydrophobicContact CE-CD1 4.35Å; M237-Y334 HydrophobicContact CE-CE1 4.2Å; M240-Y334 HydrophobicContact CE-CD1 4.1Å; M240-Y334 HydrophobicContact CE-CE1 4.07Å; I302-Y334 HydrophobicContact CG2-CD1 3.85Å; I302-Y334 HydrophobicContact CG2-CG 4.33Å; V303-Y334 PolarHBondContact O-N 3Å; Y334-N336 WeakPolarHBondContact CD2-O 3.44Å; Y334-N336 WeakPolarHBondContact CE2-O 3.43Å; Y334-D337 PolarHBondContact OH-O 3.39Å; Y334-L339 HydrophobicContact CE1-CD1 3.88Å; Y334-L339 WeakPolarHBondContact OH-CA 3.48Å; Y334-L339 VanDerWaalsContact OH-CB 3.25Å; Y334-L339 WeakPolarHBondContact OH-CB 3.43Å; Y334-L339 PolarHBondContact OH-N 2.82Å; Y334-V342 HydrophobicContact CD1-CG1 4.27Å; Y334-V342 HydrophobicContact CD2-CB 4Å; Y334-V342 HydrophobicContact CD2-CG1 4.11Å; Y334-V342 HydrophobicContact CD2-CG2 3.56Å; Y334-V342 HydrophobicContact CE2-CB 4.22Å; Y334-V342 HydrophobicContact CE2-CG2 3.96Å; Y334-V342 HydrophobicContact CG-CB 4.28Å; Y334-V342 HydrophobicContact CG-CG1 3.88Å; Y334-V342 HydrophobicContact CG-CG2 4.18Å
335	S	86.4	Confident	88.2	Confident	25 Å²	25	11.7 Å²	11.7	18%	0.175	7%	0.071	C	C	.	.			trans	-80.6	-17.6	-171.6	58.5	0	0	0	0	115.7	Y225 R305	Y225-S335 WeakPolarHBondContact CE2-O 3.41Å; R305-S335 WeakPolarHBondContact O-CA 3.48Å; R305-S335 WeakPolarHBondContact O-CB 3.44Å
336	N	83.6	Confident	89.3	Confident	33 Å²	33	9.8 Å²	9.8	18%	0.176	6%	0.06	C	C	.	.	S	Bend	trans	-135.7	-161.5	-172.8	63.1	36.3	0	0	0	111.1	R222 Y225 Y334 N338	R222-N336 PolarHBondContact NH1-O 3.39Å; R222-N336 PolarHBondContact NH2-O 3.46Å; R222-N336 VanDerWaalsContact NH2-O 3.12Å; Y225-N336 WeakPolarHBondContact OH-CA 3.36Å; Y334-N336 WeakPolarHBondContact CD2-O 3.44Å; Y334-N336 WeakPolarHBondContact CE2-O 3.43Å; N336-N338 WeakPolarHBondContact OD1-CB 3.31Å; N336-N338 PolarHBondContact OD1-N 2.93Å
337	D	85	Confident	90.5	Very high	59 Å²	59	8.8 Å²	8.8	32%	0.316	5%	0.052	S	C	.	.	S	Bend	trans	-102.2	2.9	178	-68.3	-59.8	0	0	0	114.2	K32 R222 Y225 K226 Y334 L339	K32-D337 IonicContact NZ-OD2 3.08Å; R222-D337 IonicContact NH2-OD1 3.48Å; Y225-D337 WeakPolarHBondContact CE1-OD1 3.28Å; Y225-D337 PolarHBondContact OH-OD2 2.87Å; K226-D337 IonicContact NZ-OD1 2.8Å; K226-D337 PolarHBondContact NZ-OD1 3.43Å; Y334-D337 PolarHBondContact OH-O 3.39Å; D337-L339 VanDerWaalsContact C-N 3.26Å; D337-L339 PolarHBondContact O-N 3.4Å
338	N	87.3	Confident	91.2	Very high	16 Å²	16	8 Å²	8	9%	0.086	5%	0.045	C	C	.	.			trans	-75.6	75.6	-177.5	-172.2	-3.3	0	0	0	111.4	Y163 S168 N336 N340 F341 V342	Y163-N338 PolarHBondContact OH-OD1 3.03Å; S168-N338 VanDerWaalsContact CB-ND2 3.26Å; S168-N338 WeakPolarHBondContact CB-ND2 3.37Å; S168-N338 PolarHBondContact O-ND2 3.35Å; S168-N338 PolarHBondContact OG-ND2 3.08Å; N336-N338 WeakPolarHBondContact OD1-CB 3.31Å; N336-N338 PolarHBondContact OD1-N 2.93Å; N338-N340 PolarHBondContact O-N 3.24Å; N338-F341 HydrophobicContact CB-CB 4.38Å; N338-F341 VanDerWaalsContact CG-CB 3.48Å; N338-F341 WeakPolarHBondContact ND2-CB 3.29Å; N338-F341 PolarHBondContact O-N 3.17Å; N338-F341 WeakPolarHBondContact OD1-CB 3.41Å; N338-F341 PolarHBondContact OD1-N 2.02Å; N338-F341 VanDerWaalsContact OD1-N 3.16Å; N338-V342 PolarHBondContact O-N 3.19Å
339	L	90.8	Very high	91.5	Very high	3 Å²	3	8 Å²	8	2%	0.016	5%	0.045	C	C	.	.	H	α-helix	trans	-57.8	-40	-178.5	-176.2	58	0	0	0	111.8	E236 Q239 M240 L243 Y334 D337 F341 V342 S343	E236-L339 HydrophobicContact CG-CD1 3.78Å; E236-L339 HydrophobicContact CG-CD2 4.1Å; E236-L339 HydrophobicContact CG-CG 4.48Å; Q239-L339 HydrophobicContact CB-CD2 3.77Å; Q239-L339 HydrophobicContact CG-CD2 3.41Å; Q239-L339 VanDerWaalsContact CG-CD2 3.41Å; M240-L339 HydrophobicContact CB-CD1 4.08Å; M240-L339 HydrophobicContact CE-CD1 3.63Å; M240-L339 HydrophobicContact CG-CD1 4.47Å; L243-L339 HydrophobicContact CD1-CG 4.44Å; Y334-L339 HydrophobicContact CE1-CD1 3.88Å; Y334-L339 WeakPolarHBondContact OH-CA 3.48Å; Y334-L339 VanDerWaalsContact OH-CB 3.25Å; Y334-L339 WeakPolarHBondContact OH-CB 3.43Å; Y334-L339 PolarHBondContact OH-N 2.82Å; D337-L339 VanDerWaalsContact C-N 3.26Å; D337-L339 PolarHBondContact O-N 3.4Å; L339-F341 PolarHBondContact O-N 3.31Å; L339-V342 PolarHBondContact O-N 3.29Å; L339-S343 WeakPolarHBondContact O-CB 3.46Å; L339-S343 PolarHBondContact O-N 2.8Å; L339-S343 PolarHBondContact O-OG 2.85Å
340	N	91.1	Very high	91.8	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-59.2	-48.7	-178.7	-63.1	-32.6	0	0	0	110.8	G138 V139 L149 Y163 L165 N338 S343	G138-N340 WeakPolarHBondContact CA-OD1 3.2Å; G138-N340 PolarHBondContact O-ND2 3.04Å; G138-N340 PolarHBondContact O-OD1 2.6Å; V139-N340 HydrophobicContact CG2-CB 3.73Å; L149-N340 PolarHBondContact O-ND2 3.33Å; Y163-N340 PolarHBondContact OH-ND2 3.48Å; L165-N340 HydrophobicContact CD1-CB 3.86Å; L165-N340 HydrophobicContact CD2-CB 4.4Å; N338-N340 PolarHBondContact O-N 3.24Å; N340-S343 PolarHBondContact O-OG 3.22Å
341	F	90	Very high	91.9	Very high	3 Å²	3	8 Å²	8	1%	0.013	5%	0.045	C	C	.	.	H	α-helix	trans	-65.7	-49	177.1	178.6	-96	0	0	0	112.6	H169 V173 L314 N338 L339 S343 T344 V345 A376	H169-F341 HydrophobicContact CB-CD2 4.4Å; H169-F341 HydrophobicContact CB-CE1 4.25Å; H169-F341 HydrophobicContact CB-CE2 3.93Å; H169-F341 HydrophobicContact CB-CZ 3.85Å; H169-F341 AromaticContact CD2-CE1 3.76Å; H169-F341 AromaticContact CG-CZ 3.99Å; V173-F341 HydrophobicContact CG2-CZ 4.27Å; L314-F341 HydrophobicContact CD1-CE1 3.73Å; L314-F341 HydrophobicContact CD1-CZ 4.37Å; N338-F341 HydrophobicContact CB-CB 4.38Å; N338-F341 VanDerWaalsContact CG-CB 3.48Å; N338-F341 WeakPolarHBondContact ND2-CB 3.29Å; N338-F341 PolarHBondContact O-N 3.17Å; N338-F341 WeakPolarHBondContact OD1-CB 3.41Å; N338-F341 PolarHBondContact OD1-N 2.02Å; N338-F341 VanDerWaalsContact OD1-N 3.16Å; L339-F341 PolarHBondContact O-N 3.31Å; F341-S343 VanDerWaalsContact C-N 3.25Å; F341-S343 PolarHBondContact O-N 2.82Å; F341-T344 PolarHBondContact O-N 2.9Å; F341-T344 PolarHBondContact O-OG1 3.14Å; F341-V345 HydrophobicContact CE1-CG2 4.33Å; F341-A376 HydrophobicContact CE2-CB 4.4Å; F341-A376 HydrophobicContact CZ-CB 3.9Å
342	V	91.6	Very high	91.5	Very high	3 Å²	3	8 Å²	8	2%	0.018	5%	0.045	C	C	.	.	H	α-helix	trans	-66	-29	-177	175.7	0	0	0	0	112.1	M240 Y334 N338 L339 T344 V345 V346	M240-V342 HydrophobicContact CE-CG1 4.21Å; Y334-V342 HydrophobicContact CD1-CG1 4.27Å; Y334-V342 HydrophobicContact CD2-CB 4Å; Y334-V342 HydrophobicContact CD2-CG1 4.11Å; Y334-V342 HydrophobicContact CD2-CG2 3.56Å; Y334-V342 HydrophobicContact CE2-CB 4.22Å; Y334-V342 HydrophobicContact CE2-CG2 3.96Å; Y334-V342 HydrophobicContact CG-CB 4.28Å; Y334-V342 HydrophobicContact CG-CG1 3.88Å; Y334-V342 HydrophobicContact CG-CG2 4.18Å; N338-V342 PolarHBondContact O-N 3.19Å; L339-V342 PolarHBondContact O-N 3.29Å; V342-T344 PolarHBondContact O-N 3.31Å; V342-V345 WeakPolarHBondContact O-CB 3.5Å; V342-V345 PolarHBondContact O-N 3.18Å; V342-V346 HydrophobicContact CG1-CG2 4.46Å; V342-V346 PolarHBondContact O-N 3.28Å
343	S	94.6	Very high	91.3	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-60.2	-28.6	171.9	76.1	0	0	0	0	113.5	Y247 L339 N340 F341 A347	Y247-S343 WeakPolarHBondContact CE2-OG 3.43Å; Y247-S343 PolarHBondContact OH-OG 3.14Å; L339-S343 WeakPolarHBondContact O-CB 3.46Å; L339-S343 PolarHBondContact O-N 2.8Å; L339-S343 PolarHBondContact O-OG 2.85Å; N340-S343 PolarHBondContact O-OG 3.22Å; F341-S343 VanDerWaalsContact C-N 3.25Å; F341-S343 PolarHBondContact O-N 2.82Å; S343-A347 WeakPolarHBondContact O-CB 3.44Å; S343-A347 PolarHBondContact O-N 3.32Å
344	T	92.6	Very high	91.3	Very high	7 Å²	7	8 Å²	8	4%	0.043	5%	0.045	C	C	.	.	H	α-helix	trans	-75.5	-28.1	174.4	73.3	0	0	0	0	112.8	L165 Y247 F341 V342 H348 A379 V380	L165-T344 HydrophobicContact CD2-CG2 4.07Å; Y247-T344 HydrophobicContact CE2-CG2 4.41Å; F341-T344 PolarHBondContact O-N 2.9Å; F341-T344 PolarHBondContact O-OG1 3.14Å; V342-T344 PolarHBondContact O-N 3.31Å; T344-H348 WeakPolarHBondContact O-CB 3.31Å; T344-H348 PolarHBondContact O-N 3Å; T344-A379 WeakPolarHBondContact CB-O 3.46Å; T344-A379 VanDerWaalsContact CG2-O 3.32Å; T344-A379 WeakPolarHBondContact CG2-O 3.44Å; T344-V380 HydrophobicContact CG2-CG1 3.85Å
345	V	91.9	Very high	90.8	Very high	7 Å²	7	8.4 Å²	8.4	4%	0.042	5%	0.049	C	C	.	.	H	α-helix	trans	-68.7	-48.8	171.6	-177.1	0	0	0	0	109.3	L314 F341 V342 A347 H348 E349 A376	L314-V345 HydrophobicContact CB-CG1 4.19Å; L314-V345 HydrophobicContact CB-CG2 4.5Å; L314-V345 HydrophobicContact CD1-CG2 4.42Å; F341-V345 HydrophobicContact CE1-CG2 4.33Å; V342-V345 WeakPolarHBondContact O-CB 3.5Å; V342-V345 PolarHBondContact O-N 3.18Å; V345-A347 PolarHBondContact O-N 3.38Å; V345-H348 WeakPolarHBondContact O-CA 3.24Å; V345-H348 VanDerWaalsContact O-CB 3.29Å; V345-H348 WeakPolarHBondContact O-CB 3.26Å; V345-H348 PolarHBondContact O-N 3.43Å; V345-E349 WeakPolarHBondContact O-CG 3.32Å; V345-E349 PolarHBondContact O-N 3.32Å; V345-A376 HydrophobicContact CG2-CB 4.43Å
346	V	96.3	Very high	90.8	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-60.8	-35.7	176.2	-176.4	0	0	0	0	111.6	M240 L244 Q300 I302 N332 V342 M350	M240-V346 HydrophobicContact CE-CG2 4.33Å; M240-V346 HydrophobicContact SD-CB 4.48Å; M240-V346 HydrophobicContact SD-CG2 3.82Å; L244-V346 HydrophobicContact CD1-CB 4.47Å; L244-V346 HydrophobicContact CD1-CG1 3.75Å; L244-V346 HydrophobicContact CD2-CB 4.14Å; L244-V346 HydrophobicContact CD2-CG1 4.06Å; Q300-V346 HydrophobicContact CB-CG1 4.35Å; Q300-V346 HydrophobicContact CG-CG1 4.2Å; I302-V346 HydrophobicContact CD1-CG2 3.85Å; N332-V346 HydrophobicContact CB-CG2 3.84Å; N332-V346 VanDerWaalsContact OD1-CA 3.26Å; N332-V346 WeakPolarHBondContact OD1-CA 3.49Å; N332-V346 PolarHBondContact OD1-N 2.91Å; V342-V346 HydrophobicContact CG1-CG2 4.46Å; V342-V346 PolarHBondContact O-N 3.28Å; V346-M350 HydrophobicContact CG1-SD 4.2Å; V346-M350 WeakPolarHBondContact O-CB 3.4Å; V346-M350 VanDerWaalsContact O-CG 3.28Å; V346-M350 WeakPolarHBondContact O-CG 3.23Å; V346-M350 PolarHBondContact O-N 3.19Å
347	A	96.3	Very high	90.7	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-63.6	-40.6	173.8	0	0	0	0	0	112.6	L244 Y247 Y248 S343 V345 G351 I371	L244-A347 HydrophobicContact CD2-CB 3.78Å; Y247-A347 HydrophobicContact CD2-CB 3.87Å; Y248-A347 HydrophobicContact CE2-CB 4.39Å; Y248-A347 PolarHBondContact OH-O 2.99Å; S343-A347 WeakPolarHBondContact O-CB 3.44Å; S343-A347 PolarHBondContact O-N 3.32Å; V345-A347 PolarHBondContact O-N 3.38Å; A347-G351 PolarHBondContact O-N 2.93Å; A347-I371 HydrophobicContact CB-CD1 4.37Å; A347-I371 HydrophobicContact CB-CG2 4.07Å
348	H	93.4	Very high	90.6	Very high	11 Å²	11	6.7 Å²	6.7	5%	0.051	4%	0.037	C	C	.	.	H	α-helix	trans	-63.8	-48.4	176.1	-176.1	109.8	0	0	0	111.7	C175 T344 V345 M350 G351 H352 H358 I371 S373	C175-H348 PolarHBondContact SG-NE2 2.93Å; C175-H348 VanDerWaalsContact SG-NE2 3.42Å; T344-H348 WeakPolarHBondContact O-CB 3.31Å; T344-H348 PolarHBondContact O-N 3Å; V345-H348 WeakPolarHBondContact O-CA 3.24Å; V345-H348 VanDerWaalsContact O-CB 3.29Å; V345-H348 WeakPolarHBondContact O-CB 3.26Å; V345-H348 PolarHBondContact O-N 3.43Å; H348-M350 PolarHBondContact O-N 3.13Å; H348-G351 WeakPolarHBondContact O-CA 2.93Å; H348-G351 PolarHBondContact O-N 3.15Å; H348-H352 AromaticContact CD2-CD2 3.67Å; H348-H352 AromaticContact NE2-CD2 3.84Å; H348-H352 PolarHBondContact O-N 2.91Å; H348-H358 AromaticContact CD2-NE2 3.24Å; H348-H358 PolarHBondContact CD2-NE2 3.24Å; H348-H358 AromaticContact CE1-CD2 3.81Å; H348-H358 AromaticContact CE1-CE1 3.79Å; H348-H358 AromaticContact CE1-NE2 2.53Å; H348-H358 PolarHBondContact CE1-NE2 2.99Å; H348-H358 AromaticContact ND1-NE2 3.75Å; H348-H358 AromaticContact NE2-CD2 3.85Å; H348-H358 AromaticContact NE2-CE1 3.66Å; H348-H358 AromaticContact NE2-NE2 2Å; H348-H358 PolarHBondContact NE2-NE2 3.29Å; H348-I371 HydrophobicContact CB-CG2 4.09Å; H348-I371 PolarHBondContact ND1-O 3.38Å; H348-S373 PolarHBondContact CE1-O 3.28Å; H348-S373 VanDerWaalsContact CE1-O 3.27Å
349	E	93.6	Very high	90.2	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-64.6	-37.9	178.5	-60.9	-35.3	130.9	0	0	113	C175 G315 M316 A317 N332 V345 G351 H352 N353	C175-E349 PolarHBondContact SG-OE1 3.06Å; G315-E349 VanDerWaalsContact C-CD 3.47Å; G315-E349 VanDerWaalsContact CA-OE1 3.27Å; G315-E349 WeakPolarHBondContact CA-OE1 3.41Å; M316-E349 WeakPolarHBondContact CA-OE2 3.36Å; M316-E349 PolarHBondContact N-OE2 3.29Å; M316-E349 VanDerWaalsContact N-OE2 3.1Å; A317-E349 HydrophobicContact CB-CB 3.88Å; A317-E349 VanDerWaalsContact CB-O 3.24Å; A317-E349 WeakPolarHBondContact CB-O 3.43Å; A317-E349 WeakPolarHBondContact CB-OE2 3.37Å; A317-E349 PolarHBondContact N-OE2 2.82Å; N332-E349 WeakPolarHBondContact OD1-CG 3.4Å; V345-E349 WeakPolarHBondContact O-CG 3.32Å; V345-E349 PolarHBondContact O-N 3.32Å; E349-G351 PolarHBondContact O-N 3.25Å; E349-H352 PolarHBondContact O-N 3.5Å; E349-H352 IonicContact OE2-CD2 3.16Å; E349-N353 PolarHBondContact O-N 2.09Å
350	M	95.9	Very high	89.4	Confident	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64.3	-32.2	169.5	-73.5	178.5	60.6	0	0	112.1	V212 L214 L244 Y248 V255 Q300 V346 H348 N353 L354	V212-M350 HydrophobicContact CG1-CE 4.03Å; L214-M350 HydrophobicContact CD1-CE 4.41Å; L214-M350 HydrophobicContact CD1-SD 4.1Å; L214-M350 HydrophobicContact CD2-CE 4.46Å; L214-M350 HydrophobicContact CD2-SD 4.17Å; L244-M350 HydrophobicContact CD1-SD 3.92Å; L244-M350 HydrophobicContact CD2-SD 4.14Å; Y248-M350 HydrophobicContact CE2-CB 4.09Å; Y248-M350 HydrophobicContact CE2-CE 4.15Å; Y248-M350 WeakPolarHBondContact OH-CB 3.4Å; V255-M350 HydrophobicContact CG1-CE 3.94Å; V255-M350 HydrophobicContact CG2-CE 3.89Å; Q300-M350 HydrophobicContact CG-CG 3.91Å; Q300-M350 HydrophobicContact CG-SD 4.45Å; V346-M350 HydrophobicContact CG1-SD 4.2Å; V346-M350 WeakPolarHBondContact O-CB 3.4Å; V346-M350 VanDerWaalsContact O-CG 3.28Å; V346-M350 WeakPolarHBondContact O-CG 3.23Å; V346-M350 PolarHBondContact O-N 3.19Å; H348-M350 PolarHBondContact O-N 3.13Å; M350-N353 PolarHBondContact O-N 3.16Å; M350-L354 WeakPolarHBondContact O-CB 3.3Å; M350-L354 WeakPolarHBondContact O-CD1 3.36Å; M350-L354 VanDerWaalsContact O-CG 3.28Å; M350-L354 WeakPolarHBondContact O-CG 3.13Å; M350-L354 PolarHBondContact O-N 3.44Å
351	G	93.9	Very high	88.3	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-66.5	-43.1	179.7	0	0	0	0	0	110.7	Y248 A347 H348 E349 L354 G355 M356	Y248-G351 WeakPolarHBondContact OH-CA 3.3Å; Y248-G351 PolarHBondContact OH-N 2.98Å; A347-G351 PolarHBondContact O-N 2.93Å; H348-G351 WeakPolarHBondContact O-CA 2.93Å; H348-G351 PolarHBondContact O-N 3.15Å; E349-G351 PolarHBondContact O-N 3.25Å; G351-L354 CarbonylContact O-C 3.57Å; G351-L354 WeakPolarHBondContact O-CA 3.44Å; G351-L354 PolarHBondContact O-N 3.44Å; G351-L354 VanDerWaalsContact O-N 3.16Å; G351-G355 PolarHBondContact O-N 2.98Å; G351-M356 VanDerWaalsContact O-CB 3.28Å; G351-M356 WeakPolarHBondContact O-CB 3.38Å; G351-M356 WeakPolarHBondContact O-CG 3.14Å; G351-M356 PolarHBondContact O-N 3.26Å
352	H	86.3	Confident	87.5	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-54.7	-54.4	167.9	-75.2	-42.7	0	0	0	111.8	A317 Y318 V319 G320 H348 E349 L354 G355 M356 H358	A317-H352 HydrophobicContact CB-CB 4.01Å; Y318-H352 CarbonylContact O-C 3.53Å; V319-H352 CarbonylContact C-O 3.5Å; V319-H352 WeakPolarHBondContact CA-O 3.09Å; V319-H352 HydrophobicContact CG2-CB 3.7Å; V319-H352 WeakPolarHBondContact CG2-CE1 3.45Å; V319-H352 VanDerWaalsContact CG2-ND1 3.32Å; V319-H352 WeakPolarHBondContact CG2-ND1 3.47Å; G320-H352 PolarHBondContact N-O 3.15Å; H348-H352 AromaticContact CD2-CD2 3.67Å; H348-H352 AromaticContact NE2-CD2 3.84Å; H348-H352 PolarHBondContact O-N 2.91Å; E349-H352 PolarHBondContact O-N 3.5Å; E349-H352 IonicContact OE2-CD2 3.16Å; H352-L354 PolarHBondContact O-N 3Å; H352-L354 VanDerWaalsContact O-N 3.13Å; H352-G355 WeakPolarHBondContact O-CA 3.31Å; H352-G355 PolarHBondContact O-N 3.02Å; H352-M356 PolarHBondContact CE1-O 3.48Å; H352-M356 PolarHBondContact ND1-O 2.97Å; H352-H358 AromaticContact CD2-NE2 3.75Å; H352-H358 AromaticContact NE2-CD2 2.55Å; H352-H358 PolarHBondContact NE2-CD2 3.03Å; H352-H358 AromaticContact NE2-CG 3.59Å; H352-H358 AromaticContact NE2-NE2 2.92Å; H352-H358 PolarHBondContact NE2-NE2 3.5Å
353	N	90.9	Very high	87.1	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-55.1	-36	177.3	-64.7	149.7	0	0	0	112.5	I298 Q300 Y318 G320 T321 V322 G329 E349 M350 G355	I298-N353 HydrophobicContact CD1-CB 3.93Å; I298-N353 HydrophobicContact CG1-CB 4.5Å; I298-N353 VanDerWaalsContact CG2-OD1 3.31Å; I298-N353 WeakPolarHBondContact CG2-OD1 3.49Å; Q300-N353 PolarHBondContact NE2-OD1 2.92Å; Y318-N353 WeakPolarHBondContact O-CA 3.21Å; Y318-N353 PolarHBondContact O-N 2.99Å; Y318-N353 PolarHBondContact O-ND2 2.92Å; G320-N353 CarbonylContact C-O 3.46Å; G320-N353 WeakPolarHBondContact CA-O 3.15Å; T321-N353 PolarHBondContact N-O 3.01Å; T321-N353 VanDerWaalsContact N-O 3.15Å; T321-N353 PolarHBondContact OG1-ND2 2.96Å; V322-N353 VanDerWaalsContact CB-O 3.31Å; V322-N353 WeakPolarHBondContact CB-O 3.32Å; V322-N353 WeakPolarHBondContact CG1-O 3.38Å; V322-N353 PolarHBondContact N-O 3.36Å; G329-N353 VanDerWaalsContact C-OD1 3.31Å; G329-N353 WeakPolarHBondContact CA-OD1 3.42Å; G329-N353 PolarHBondContact N-ND2 3.47Å; G329-N353 PolarHBondContact O-ND2 3.02Å; G329-N353 PolarHBondContact O-OD1 3Å; E349-N353 PolarHBondContact O-N 2.09Å; M350-N353 PolarHBondContact O-N 3.16Å; N353-G355 PolarHBondContact O-N 3.06Å
354	L	92.8	Very high	86.5	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	9.2	175.1	-67.7	164.7	0	0	0	114.4	V212 Y248 I253 I298 V322 M350 G351 H352 M356 F390 L393 L402	V212-L354 HydrophobicContact CG2-CD2 4.15Å; Y248-L354 HydrophobicContact CD1-CD1 4.04Å; Y248-L354 HydrophobicContact CE1-CD1 3.3Å; I253-L354 HydrophobicContact CD1-CD1 4.34Å; I298-L354 HydrophobicContact CD1-CD2 4.43Å; I298-L354 HydrophobicContact CD1-CG 4.27Å; V322-L354 HydrophobicContact CB-CD2 4.27Å; V322-L354 HydrophobicContact CG1-CD2 4.31Å; V322-L354 HydrophobicContact CG2-CD2 4.02Å; M350-L354 WeakPolarHBondContact O-CB 3.3Å; M350-L354 WeakPolarHBondContact O-CD1 3.36Å; M350-L354 VanDerWaalsContact O-CG 3.28Å; M350-L354 WeakPolarHBondContact O-CG 3.13Å; M350-L354 PolarHBondContact O-N 3.44Å; G351-L354 CarbonylContact O-C 3.57Å; G351-L354 WeakPolarHBondContact O-CA 3.44Å; G351-L354 PolarHBondContact O-N 3.44Å; G351-L354 VanDerWaalsContact O-N 3.16Å; H352-L354 PolarHBondContact O-N 3Å; H352-L354 VanDerWaalsContact O-N 3.13Å; L354-M356 HydrophobicContact CB-CE 4.21Å; L354-F390 HydrophobicContact CB-CD2 4.18Å; L354-F390 HydrophobicContact CD2-CD2 4.39Å; L354-F390 HydrophobicContact CD2-CE2 3.96Å; L354-F390 WeakPolarHBondContact O-CD2 3.49Å; L354-L393 WeakPolarHBondContact O-CD2 3.42Å; L354-L402 HydrophobicContact CD2-CD1 3.65Å
355	G	82.7	Confident	85.9	Confident	10 Å²	10	26.5 Å²	26.5	10%	0.103	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	4.1	171.7	0	0	0	0	0	115.5	G351 H352 N353	G351-G355 PolarHBondContact O-N 2.98Å; H352-G355 WeakPolarHBondContact O-CA 3.31Å; H352-G355 PolarHBondContact O-N 3.02Å; N353-G355 PolarHBondContact O-N 3.06Å
356	M	86.4	Confident	85	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	21%	0.206	C	C	.	.			trans	-78.2	130	-179.1	-50.9	175.2	-171.2	0	0	110.7	Y248 L251 I253 G351 H352 L354 M372 F382 F390	Y248-M356 HydrophobicContact CE1-CE 4.18Å; L251-M356 HydrophobicContact CD1-CE 3.44Å; L251-M356 VanDerWaalsContact CD1-CE 3.44Å; L251-M356 HydrophobicContact CD1-SD 4.4Å; I253-M356 HydrophobicContact CD1-CE 4.45Å; G351-M356 VanDerWaalsContact O-CB 3.28Å; G351-M356 WeakPolarHBondContact O-CB 3.38Å; G351-M356 WeakPolarHBondContact O-CG 3.14Å; G351-M356 PolarHBondContact O-N 3.26Å; H352-M356 PolarHBondContact CE1-O 3.48Å; H352-M356 PolarHBondContact ND1-O 2.97Å; L354-M356 HydrophobicContact CB-CE 4.21Å; M356-M372 HydrophobicContact CB-CE 4.11Å; M356-M372 HydrophobicContact CB-CG 4.01Å; M356-M372 HydrophobicContact CB-SD 4.16Å; M356-M372 HydrophobicContact SD-CG 4.33Å; M356-M372 HydrophobicContact SD-SD 4.44Å; M356-F382 HydrophobicContact CE-CD1 4.49Å; M356-F382 HydrophobicContact CE-CE1 4.43Å; M356-F382 HydrophobicContact SD-CD1 3.59Å; M356-F382 VanDerWaalsContact SD-CD1 3.59Å; M356-F382 HydrophobicContact SD-CE1 3.55Å; M356-F382 VanDerWaalsContact SD-CE1 3.55Å; M356-F382 HydrophobicContact SD-CG 4.48Å; M356-F382 HydrophobicContact SD-CZ 4.41Å; M356-F390 HydrophobicContact CE-CB 3.92Å; M356-F390 HydrophobicContact CE-CG 4.36Å
357	N	80.9	Confident	83.6	Confident	48 Å²	48	32 Å²	32	26%	0.257	22%	0.216	S	C	.	.			trans	-90	178.4	171.5	-57.2	-79.8	0	0	0	110.3	M372 D389	N357-M372 WeakPolarHBondContact O-CB 3.37Å; N357-D389 WeakPolarHBondContact CB-OD2 3.2Å; N357-D389 PolarHBondContact N-OD2 2.83Å; N357-D389 PolarHBondContact ND2-OD2 3.19Å
358	H	83.3	Confident	82.1	Confident	33 Å²	33	41 Å²	41	15%	0.153	26%	0.255	C	S	.	.			trans	-70.5	142.5	174.4	-81.7	-157.2	0	0	0	113.2	C175 V177 H348 H352 S360 M372 A374	C175-H358 WeakPolarHBondContact CB-CE1 3.23Å; V177-H358 WeakPolarHBondContact CB-CE1 3.01Å; V177-H358 WeakPolarHBondContact CG2-CE1 3.2Å; V177-H358 WeakPolarHBondContact CG2-NE2 3.4Å; H348-H358 AromaticContact CD2-NE2 3.24Å; H348-H358 PolarHBondContact CD2-NE2 3.24Å; H348-H358 AromaticContact CE1-CD2 3.81Å; H348-H358 AromaticContact CE1-CE1 3.79Å; H348-H358 AromaticContact CE1-NE2 2.53Å; H348-H358 PolarHBondContact CE1-NE2 2.99Å; H348-H358 AromaticContact ND1-NE2 3.75Å; H348-H358 AromaticContact NE2-CD2 3.85Å; H348-H358 AromaticContact NE2-CE1 3.66Å; H348-H358 AromaticContact NE2-NE2 2Å; H348-H358 PolarHBondContact NE2-NE2 3.29Å; H352-H358 AromaticContact CD2-NE2 3.75Å; H352-H358 AromaticContact NE2-CD2 2.55Å; H352-H358 PolarHBondContact NE2-CD2 3.03Å; H352-H358 AromaticContact NE2-CG 3.59Å; H352-H358 AromaticContact NE2-NE2 2.92Å; H352-H358 PolarHBondContact NE2-NE2 3.5Å; H358-S360 PolarHBondContact O-N 2.89Å; H358-S360 VanDerWaalsContact O-N 3.17Å; H358-M372 VanDerWaalsContact CA-O 3.31Å; H358-M372 WeakPolarHBondContact CA-O 3.39Å; H358-A374 WeakPolarHBondContact CE1-CA 3.3Å; H358-A374 PolarHBondContact CE1-O 2.53Å; H358-A374 VanDerWaalsContact ND1-CA 3.33Å; H358-A374 WeakPolarHBondContact ND1-CA 2.93Å; H358-A374 VanDerWaalsContact ND1-CB 3.26Å; H358-A374 WeakPolarHBondContact ND1-CB 3.36Å
359	D	79.8	Confident	81.5	Confident	29 Å²	29	42.4 Å²	42.4	16%	0.155	27%	0.266	C	S	.	.			trans	-65.9	112.8	176.3	-73.4	-45.4	0	0	0	110.5	C363 C370 M372 S383	D359-C363 HydrophobicContact CB-CB 3.79Å; D359-C363 WeakPolarHBondContact OD1-CB 3.06Å; D359-C370 VanDerWaalsContact OD2-CB 3.31Å; D359-C370 WeakPolarHBondContact OD2-CB 3.47Å; D359-M372 PolarHBondContact N-O 3.39Å; D359-S383 WeakPolarHBondContact OD1-CB 3.28Å; D359-S383 PolarHBondContact OD1-OG 3.36Å
360	S	72.8	Confident	81.2	Confident	82 Å²	82	42.8 Å²	42.8	57%	0.573	27%	0.268	S	S	*	.			trans	-89.7	176.2	177.3	64.2	0	0	0	0	112.2	H358 G362 C363	H358-S360 PolarHBondContact O-N 2.89Å; H358-S360 VanDerWaalsContact O-N 3.17Å; S360-G362 PolarHBondContact O-N 3.04Å; S360-C363 WeakPolarHBondContact O-CB 3.19Å; S360-C363 PolarHBondContact O-N 3.42Å
361	S	68	Low	81	Confident	128 Å²	128	43.2 Å²	43.2	90%	0.895	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	106.5	-179.9	56.4	0	0	0	0	112
362	G	73.8	Confident	80.8	Confident	68 Å²	68	43.2 Å²	43.2	70%	0.701	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	122.7	-20.7	-176.6	0	0	0	0	0	113.3	S360 T364	S360-G362 PolarHBondContact O-N 3.04Å; G362-T364 PolarHBondContact O-N 3.33Å
363	C	82.3	Confident	80.7	Confident	22 Å²	22	44.3 Å²	44.3	15%	0.149	28%	0.279	C	S	.	.			trans	-70.3	125.8	170.5	-61.4	0	0	0	0	109.8	D359 S360 C385	D359-C363 HydrophobicContact CB-CB 3.79Å; D359-C363 WeakPolarHBondContact OD1-CB 3.06Å; S360-C363 WeakPolarHBondContact O-CB 3.19Å; S360-C363 PolarHBondContact O-N 3.42Å; C363-C385 WeakPolarHBondContact CA-SG 3.31Å; C363-C385 HydrophobicContact CB-CB 3.83Å; C363-C385 WeakPolarHBondContact CB-SG 2.95Å; C363-C385 WeakPolarHBondContact SG-CB 3.31Å; C363-C385 CovalentContact SG-SG 2.04Å; C363-C385 PolarHBondContact SG-SG 3.44Å
364	T	82.1	Confident	79.7	Confident	95 Å²	95	45.9 Å²	45.9	58%	0.583	29%	0.292	S	S	*	.			trans	-138.2	145.4	-174.9	49.4	0	0	0	0	111.9	G362	G362-T364 PolarHBondContact O-N 3.33Å
365	C	81.4	Confident	78.6	Confident	24 Å²	24	47.6 Å²	47.6	16%	0.162	31%	0.309	C	S	.	.			trans	-124.6	-178.3	164.4	55.9	0	0	0	0	107.5	G367 S369 C370 Q381	C365-G367 VanDerWaalsContact C-N 3.3Å; C365-G367 PolarHBondContact O-N 3.23Å; C365-S369 PolarHBondContact SG-O 2.8Å; C365-S369 VanDerWaalsContact SG-O 3.4Å; C365-C370 HydrophobicContact CB-CB 4.02Å; C365-C370 WeakPolarHBondContact CB-SG 3.49Å; C365-C370 PolarHBondContact N-SG 3.48Å; C365-C370 WeakPolarHBondContact SG-CA 3.44Å; C365-C370 WeakPolarHBondContact SG-CB 3.31Å; C365-C370 CovalentContact SG-SG 2.04Å; C365-C370 PolarHBondContact SG-SG 3.42Å; C365-Q381 HydrophobicContact CB-CB 4.09Å
366	N	71.8	Confident	77.9	Confident	103 Å²	103	48.6 Å²	48.6	55%	0.551	32%	0.316	S	S	*	.	S	Bend	trans	-72.6	-27.6	179.6	-63.5	-8.7	0	0	0	111.7	N144	N144-N366 WeakPolarHBondContact CB-O 3.15Å; N144-N366 PolarHBondContact ND2-O 2.83Å; N144-N366 PolarHBondContact OD1-O 3.47Å
367	G	66.3	Low	77	Confident	20 Å²	20	50 Å²	50	21%	0.206	33%	0.331	C	S	.	.	S	Bend	trans	-71	168	173.2	0	0	0	0	0	114.8	C365 S369	C365-G367 VanDerWaalsContact C-N 3.3Å; C365-G367 PolarHBondContact O-N 3.23Å; G367-S369 PolarHBondContact O-N 3.29Å
368	K	66.4	Low	76.9	Confident	189 Å²	189	47.9 Å²	47.9	82%	0.822	32%	0.32	S	S	*	.	S	Bend	trans	-70.7	-15.3	173.9	-66.8	-173.5	178.1	-176.6	0	114.3
369	S	79.3	Confident	77.1	Confident	39 Å²	39	46.8 Å²	46.8	27%	0.273	32%	0.317	S	S	.	.	S	Bend	trans	-154.7	153.6	178.7	167.9	0	0	0	0	106.4	C365 G367 S373 A379	C365-S369 PolarHBondContact SG-O 2.8Å; C365-S369 VanDerWaalsContact SG-O 3.4Å; G367-S369 PolarHBondContact O-N 3.29Å; S369-S373 VanDerWaalsContact OG-CB 3.24Å; S369-S373 WeakPolarHBondContact OG-CB 3.32Å; S369-S373 PolarHBondContact OG-OG 2.92Å; S369-A379 WeakPolarHBondContact O-CB 3.43Å
370	C	88.8	Confident	77.5	Confident	8 Å²	8	45.8 Å²	45.8	5%	0.054	31%	0.312	C	S	.	.			trans	-118.5	166	-176.1	-44.4	0	0	0	0	109.2	D359 C365 M372 S373 Q381	D359-C370 VanDerWaalsContact OD2-CB 3.31Å; D359-C370 WeakPolarHBondContact OD2-CB 3.47Å; C365-C370 HydrophobicContact CB-CB 4.02Å; C365-C370 WeakPolarHBondContact CB-SG 3.49Å; C365-C370 PolarHBondContact N-SG 3.48Å; C365-C370 WeakPolarHBondContact SG-CA 3.44Å; C365-C370 WeakPolarHBondContact SG-CB 3.31Å; C365-C370 CovalentContact SG-SG 2.04Å; C365-C370 PolarHBondContact SG-SG 3.42Å; C370-M372 VanDerWaalsContact C-N 3.25Å; C370-M372 PolarHBondContact O-N 3.36Å; C370-S373 PolarHBondContact N-OG 2.93Å; C370-S373 VanDerWaalsContact O-CB 3.26Å; C370-S373 WeakPolarHBondContact O-CB 3.29Å; C370-S373 PolarHBondContact O-N 3.43Å; C370-S373 PolarHBondContact O-OG 2.98Å; C370-Q381 CarbonylContact C-O 3.36Å; C370-Q381 VanDerWaalsContact CA-O 3.25Å; C370-Q381 WeakPolarHBondContact CA-O 3.48Å; C370-Q381 WeakPolarHBondContact CB-O 3.4Å
371	I	90.9	Very high	78.3	Confident	9 Å²	9	43.7 Å²	43.7	5%	0.046	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-43.2	-176.8	-71.8	165.8	0	0	0	110.9	Y247 A347 H348 S373 A379 Q381 F382	Y247-I371 HydrophobicContact CG-CD1 4.5Å; A347-I371 HydrophobicContact CB-CD1 4.37Å; A347-I371 HydrophobicContact CB-CG2 4.07Å; H348-I371 HydrophobicContact CB-CG2 4.09Å; H348-I371 PolarHBondContact ND1-O 3.38Å; I371-S373 PolarHBondContact O-N 2.55Å; I371-A379 VanDerWaalsContact CG1-O 3.31Å; I371-A379 WeakPolarHBondContact CG1-O 3.47Å; I371-Q381 PolarHBondContact N-O 3.17Å; I371-F382 HydrophobicContact CB-CD1 3.96Å; I371-F382 HydrophobicContact CB-CE1 3.76Å; I371-F382 HydrophobicContact CB-CG 4.47Å; I371-F382 HydrophobicContact CB-CZ 4.11Å; I371-F382 HydrophobicContact CD1-CD1 4.39Å; I371-F382 HydrophobicContact CD1-CD2 3.75Å; I371-F382 HydrophobicContact CD1-CE1 4.12Å; I371-F382 HydrophobicContact CD1-CE2 3.44Å; I371-F382 VanDerWaalsContact CD1-CE2 3.44Å; I371-F382 HydrophobicContact CD1-CG 4.21Å; I371-F382 HydrophobicContact CD1-CZ 3.62Å; I371-F382 HydrophobicContact CG1-CZ 4.47Å; I371-F382 HydrophobicContact CG2-CD1 4.19Å; I371-F382 HydrophobicContact CG2-CE1 3.48Å; I371-F382 VanDerWaalsContact CG2-CE1 3.48Å; I371-F382 HydrophobicContact CG2-CZ 3.73Å
372	M	89.5	Confident	79.4	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	19.5	-179.8	-55.8	-51.3	-57.6	0	0	114.4	M356 N357 H358 D359 C370 F382	M356-M372 HydrophobicContact CB-CE 4.11Å; M356-M372 HydrophobicContact CB-CG 4.01Å; M356-M372 HydrophobicContact CB-SD 4.16Å; M356-M372 HydrophobicContact SD-CG 4.33Å; M356-M372 HydrophobicContact SD-SD 4.44Å; N357-M372 WeakPolarHBondContact O-CB 3.37Å; H358-M372 VanDerWaalsContact CA-O 3.31Å; H358-M372 WeakPolarHBondContact CA-O 3.39Å; D359-M372 PolarHBondContact N-O 3.39Å; C370-M372 VanDerWaalsContact C-N 3.25Å; C370-M372 PolarHBondContact O-N 3.36Å; M372-F382 HydrophobicContact CG-CD1 3.96Å; M372-F382 HydrophobicContact CG-CE1 4.07Å; M372-F382 HydrophobicContact SD-CD1 4.45Å; M372-F382 HydrophobicContact SD-CE1 3.95Å
373	S	85.1	Confident	80.3	Confident	24 Å²	24	35.5 Å²	35.5	17%	0.168	22%	0.222	C	C	.	.	S	Bend	trans	-69	143.7	167.8	-64.1	0	0	0	0	111.2	H348 S369 C370 I371 G375	H348-S373 PolarHBondContact CE1-O 3.28Å; H348-S373 VanDerWaalsContact CE1-O 3.27Å; S369-S373 VanDerWaalsContact OG-CB 3.24Å; S369-S373 WeakPolarHBondContact OG-CB 3.32Å; S369-S373 PolarHBondContact OG-OG 2.92Å; C370-S373 PolarHBondContact N-OG 2.93Å; C370-S373 VanDerWaalsContact O-CB 3.26Å; C370-S373 WeakPolarHBondContact O-CB 3.29Å; C370-S373 PolarHBondContact O-N 3.43Å; C370-S373 PolarHBondContact O-OG 2.98Å; I371-S373 PolarHBondContact O-N 2.55Å; S373-G375 VanDerWaalsContact C-N 3.26Å; S373-G375 PolarHBondContact O-N 3.24Å
374	A	70	Confident	80.5	Confident	33 Å²	33	41.3 Å²	41.3	27%	0.273	25%	0.245	S	C	.	.	S	Bend	trans	-65.2	-23.8	-174.7	0	0	0	0	0	115.9	C175 H358	C175-A374 PolarHBondContact N-O 2Å; H358-A374 WeakPolarHBondContact CE1-CA 3.3Å; H358-A374 PolarHBondContact CE1-O 2.53Å; H358-A374 VanDerWaalsContact ND1-CA 3.33Å; H358-A374 WeakPolarHBondContact ND1-CA 2.93Å; H358-A374 VanDerWaalsContact ND1-CB 3.26Å; H358-A374 WeakPolarHBondContact ND1-CB 3.36Å
375	G	68.6	Low	80.7	Confident	35 Å²	35	38.5 Å²	38.5	36%	0.361	23%	0.229	S	C	.	.	B	Isolated β-bridge	trans	-104.4	140.7	169.9	0	0	0	0	0	111.2	V173 S373 G377	V173-G375 VanDerWaalsContact O-CA 3.24Å; V173-G375 WeakPolarHBondContact O-CA 3.46Å; S373-G375 VanDerWaalsContact C-N 3.26Å; S373-G375 PolarHBondContact O-N 3.24Å; G375-G377 PolarHBondContact O-N 3.27Å
376	A	68.1	Low	81.1	Confident	32 Å²	32	37.3 Å²	37.3	26%	0.264	22%	0.221	S	C	.	.			trans	-74.7	92.4	-178.8	0	0	0	0	0	111.2	V173 F341 V345	V173-A376 HydrophobicContact CB-CB 4.01Å; V173-A376 HydrophobicContact CG1-CB 3.52Å; V173-A376 PolarHBondContact O-N 3.42Å; V173-A376 VanDerWaalsContact O-N 3.15Å; F341-A376 HydrophobicContact CE2-CB 4.4Å; F341-A376 HydrophobicContact CZ-CB 3.9Å; V345-A376 HydrophobicContact CG2-CB 4.43Å
377	G	68.9	Low	82	Confident	30 Å²	30	36 Å²	36	31%	0.309	21%	0.212	S	C	.	.			trans	-86.7	1.7	-179	0	0	0	0	0	115.9	K166 G375 A379	K166-G377 WeakPolarHBondContact CA-O 3.19Å; K166-G377 WeakPolarHBondContact CB-O 3.46Å; G375-G377 PolarHBondContact O-N 3.27Å; G377-A379 VanDerWaalsContact C-N 3.28Å; G377-A379 PolarHBondContact O-N 2.74Å
378	G	78.5	Confident	82.8	Confident	2 Å²	2	40.8 Å²	40.8	2%	0.021	23%	0.229	C	C	.	.			trans	67.1	27.8	-171.2	0	0	0	0	0	113.6	L165	L165-G378 WeakPolarHBondContact CD2-O 3.28Å
379	A	86.3	Confident	83.6	Confident	10 Å²	10	34 Å²	34	8%	0.083	20%	0.201	C	C	.	.			trans	-75.6	150	177	0	0	0	0	0	111.6	T344 S369 I371 G377	T344-A379 WeakPolarHBondContact CB-O 3.46Å; T344-A379 VanDerWaalsContact CG2-O 3.32Å; T344-A379 WeakPolarHBondContact CG2-O 3.44Å; S369-A379 WeakPolarHBondContact O-CB 3.43Å; I371-A379 VanDerWaalsContact CG1-O 3.31Å; I371-A379 WeakPolarHBondContact CG1-O 3.47Å; G377-A379 VanDerWaalsContact C-N 3.28Å; G377-A379 PolarHBondContact O-N 2.74Å
380	V	88.6	Confident	84	Confident	9 Å²	9	32.3 Å²	32.3	6%	0.055	19%	0.189	C	C	.	.			trans	-128	16.8	-178.1	-64.9	0	0	0	0	114	V139 L141 T146 Y247 T344	V139-V380 HydrophobicContact CG1-CG1 4.01Å; V139-V380 HydrophobicContact CG1-CG2 4.42Å; L141-V380 HydrophobicContact CB-CG2 3.99Å; L141-V380 HydrophobicContact CD1-CG2 4.12Å; L141-V380 HydrophobicContact CD2-CG2 4.41Å; L141-V380 HydrophobicContact CG-CG2 4.4Å; T146-V380 HydrophobicContact CG2-CB 4.42Å; T146-V380 HydrophobicContact CG2-CG1 3.87Å; T146-V380 HydrophobicContact CG2-CG2 3.7Å; Y247-V380 HydrophobicContact CD1-CB 3.7Å; Y247-V380 HydrophobicContact CD1-CG1 3.89Å; Y247-V380 HydrophobicContact CE1-CB 3.61Å; Y247-V380 HydrophobicContact CE1-CG1 3.32Å; Y247-V380 HydrophobicContact CE2-CG1 4.29Å; Y247-V380 HydrophobicContact CG-CB 4.47Å; T344-V380 HydrophobicContact CG2-CG1 3.85Å
381	Q	90.3	Very high	83.7	Confident	37 Å²	37	34.4 Å²	34.4	17%	0.173	20%	0.198	C	C	.	.			trans	-123.2	137.6	173.6	-66.9	-170.1	-42.5	0	0	110.3	L141 C365 C370 I371	L141-Q381 HydrophobicContact CD2-CG 3.62Å; C365-Q381 HydrophobicContact CB-CB 4.09Å; C370-Q381 CarbonylContact C-O 3.36Å; C370-Q381 VanDerWaalsContact CA-O 3.25Å; C370-Q381 WeakPolarHBondContact CA-O 3.48Å; C370-Q381 WeakPolarHBondContact CB-O 3.4Å; I371-Q381 PolarHBondContact N-O 3.17Å
382	F	91.6	Very high	83	Confident	22 Å²	22	35.7 Å²	35.7	10%	0.096	21%	0.208	C	C	.	.			trans	-76.9	157.1	165.4	-70.1	-79	0	0	0	111	Y248 L251 M356 I371 M372	Y248-F382 AromaticContact CD1-CE2 3.95Å; Y248-F382 HydrophobicContact CD1-CE2 3.95Å; Y248-F382 HydrophobicContact CD1-CZ 4.22Å; Y248-F382 HydrophobicContact CD2-CE2 4.46Å; Y248-F382 HydrophobicContact CE1-CE1 4.41Å; Y248-F382 AromaticContact CE1-CE2 3.76Å; Y248-F382 HydrophobicContact CE1-CE2 3.76Å; Y248-F382 AromaticContact CE1-CZ 3.55Å; Y248-F382 HydrophobicContact CE1-CZ 3.55Å; Y248-F382 HydrophobicContact CE2-CE2 4.29Å; Y248-F382 HydrophobicContact CE2-CZ 4.01Å; Y248-F382 HydrophobicContact CG-CE2 4.3Å; Y248-F382 AromaticContact CZ-CE2 3.94Å; Y248-F382 AromaticContact CZ-CZ 3.42Å; Y248-F382 VanDerWaalsContact CZ-CZ 3.42Å; Y248-F382 WeakPolarHBondContact OH-CZ 3.25Å; L251-F382 HydrophobicContact CD1-CB 3.93Å; L251-F382 HydrophobicContact CD1-CD1 4.25Å; L251-F382 HydrophobicContact CD1-CD2 3.49Å; L251-F382 VanDerWaalsContact CD1-CD2 3.49Å; L251-F382 HydrophobicContact CD1-CE2 4.06Å; L251-F382 HydrophobicContact CD1-CG 3.61Å; L251-F382 HydrophobicContact CD2-CB 4.19Å; L251-F382 HydrophobicContact CG-CB 4.29Å; L251-F382 HydrophobicContact CG-CD2 4.06Å; L251-F382 HydrophobicContact CG-CG 4.34Å; M356-F382 HydrophobicContact CE-CD1 4.49Å; M356-F382 HydrophobicContact CE-CE1 4.43Å; M356-F382 HydrophobicContact SD-CD1 3.59Å; M356-F382 VanDerWaalsContact SD-CD1 3.59Å; M356-F382 HydrophobicContact SD-CE1 3.55Å; M356-F382 VanDerWaalsContact SD-CE1 3.55Å; M356-F382 HydrophobicContact SD-CG 4.48Å; M356-F382 HydrophobicContact SD-CZ 4.41Å; I371-F382 HydrophobicContact CB-CD1 3.96Å; I371-F382 HydrophobicContact CB-CE1 3.76Å; I371-F382 HydrophobicContact CB-CG 4.47Å; I371-F382 HydrophobicContact CB-CZ 4.11Å; I371-F382 HydrophobicContact CD1-CD1 4.39Å; I371-F382 HydrophobicContact CD1-CD2 3.75Å; I371-F382 HydrophobicContact CD1-CE1 4.12Å; I371-F382 HydrophobicContact CD1-CE2 3.44Å; I371-F382 VanDerWaalsContact CD1-CE2 3.44Å; I371-F382 HydrophobicContact CD1-CG 4.21Å; I371-F382 HydrophobicContact CD1-CZ 3.62Å; I371-F382 HydrophobicContact CG1-CZ 4.47Å; I371-F382 HydrophobicContact CG2-CD1 4.19Å; I371-F382 HydrophobicContact CG2-CE1 3.48Å; I371-F382 VanDerWaalsContact CG2-CE1 3.48Å; I371-F382 HydrophobicContact CG2-CZ 3.73Å; M372-F382 HydrophobicContact CG-CD1 3.96Å; M372-F382 HydrophobicContact CG-CE1 4.07Å; M372-F382 HydrophobicContact SD-CD1 4.45Å; M372-F382 HydrophobicContact SD-CE1 3.95Å
383	S	90.9	Very high	82.4	Confident	3 Å²	3	36.9 Å²	36.9	2%	0.021	21%	0.214	C	C	.	.			trans	-89.1	168.1	173.5	93.3	0	0	0	0	111	D359 C385 S386 E387	D359-S383 WeakPolarHBondContact OD1-CB 3.28Å; D359-S383 PolarHBondContact OD1-OG 3.36Å; S383-C385 PolarHBondContact O-N 3.32Å; S383-C385 WeakPolarHBondContact OG-CB 3.22Å; S383-C385 PolarHBondContact OG-N 2.9Å; S383-S386 PolarHBondContact N-OG 3.16Å; S383-S386 PolarHBondContact O-N 3.05Å; S383-S386 PolarHBondContact OG-N 2.79Å; S383-S386 PolarHBondContact OG-OG 2.87Å; S383-E387 PolarHBondContact O-N 3.05Å; S383-E387 VanDerWaalsContact O-N 3.12Å
384	K	87.4	Confident	82	Confident	143 Å²	143	36.6 Å²	36.6	62%	0.622	21%	0.21	S	C	*	.	H	α-helix	trans	-64.5	-20.1	170.5	-68.1	-177.9	178.4	176.2	0	113.6	Q388	K384-Q388 VanDerWaalsContact O-CG 3.23Å; K384-Q388 WeakPolarHBondContact O-CG 3.32Å; K384-Q388 PolarHBondContact O-N 3.46Å; K384-Q388 PolarHBondContact O-NE2 3.33Å
385	C	87.1	Confident	81.8	Confident	36 Å²	36	39.5 Å²	39.5	24%	0.243	22%	0.224	C	C	.	.	H	α-helix	trans	-73.2	-44.7	171.9	-60.7	0	0	0	0	110.3	C363 S383 E387 Q388 D389	C363-C385 WeakPolarHBondContact CA-SG 3.31Å; C363-C385 HydrophobicContact CB-CB 3.83Å; C363-C385 WeakPolarHBondContact CB-SG 2.95Å; C363-C385 WeakPolarHBondContact SG-CB 3.31Å; C363-C385 CovalentContact SG-SG 2.04Å; C363-C385 PolarHBondContact SG-SG 3.44Å; S383-C385 PolarHBondContact O-N 3.32Å; S383-C385 WeakPolarHBondContact OG-CB 3.22Å; S383-C385 PolarHBondContact OG-N 2.9Å; C385-E387 VanDerWaalsContact C-N 3.29Å; C385-E387 PolarHBondContact O-N 3.31Å; C385-Q388 PolarHBondContact O-N 2.76Å; C385-Q388 VanDerWaalsContact O-N 3.12Å; C385-D389 PolarHBondContact O-N 2.92Å
386	S	89.4	Confident	81.4	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.9	-38.8	177.1	-27.9	0	0	0	0	111.8	S383 D389 F390	S383-S386 PolarHBondContact N-OG 3.16Å; S383-S386 PolarHBondContact O-N 3.05Å; S383-S386 PolarHBondContact OG-N 2.79Å; S383-S386 PolarHBondContact OG-OG 2.87Å; S386-D389 PolarHBondContact O-N 3.37Å; S386-F390 PolarHBondContact O-N 3.43Å; S386-F390 VanDerWaalsContact O-N 3.12Å
387	E	89.7	Confident	80.7	Confident	76 Å²	76	44.4 Å²	44.4	36%	0.355	23%	0.229	S	C	.	.	H	α-helix	trans	-59.6	-48.2	172.2	-174.1	-179	-166.3	0	0	111.8	L251 S383 C385 D389 F390 E391	L251-E387 HydrophobicContact CD2-CB 3.88Å; L251-E387 HydrophobicContact CD2-CG 4.06Å; S383-E387 PolarHBondContact O-N 3.05Å; S383-E387 VanDerWaalsContact O-N 3.12Å; C385-E387 VanDerWaalsContact C-N 3.29Å; C385-E387 PolarHBondContact O-N 3.31Å; E387-D389 PolarHBondContact O-N 3.45Å; E387-F390 PolarHBondContact O-N 2.82Å; E387-E391 WeakPolarHBondContact O-CG 3.26Å; E387-E391 PolarHBondContact O-N 3.34Å
388	Q	83.8	Confident	80.6	Confident	120 Å²	120	43.6 Å²	43.6	56%	0.561	22%	0.221	S	C	*	.	H	α-helix	trans	-65.7	-36.2	179.3	-73.1	169	31.5	0	0	113.2	K384 C385 E391 S392	K384-Q388 VanDerWaalsContact O-CG 3.23Å; K384-Q388 WeakPolarHBondContact O-CG 3.32Å; K384-Q388 PolarHBondContact O-N 3.46Å; K384-Q388 PolarHBondContact O-NE2 3.33Å; C385-Q388 PolarHBondContact O-N 2.76Å; C385-Q388 VanDerWaalsContact O-N 3.12Å; Q388-E391 PolarHBondContact O-N 3.41Å; Q388-S392 WeakPolarHBondContact O-CB 3.48Å; Q388-S392 PolarHBondContact O-N 2.99Å
389	D	82.6	Confident	80.3	Confident	45 Å²	45	43.6 Å²	43.6	24%	0.241	22%	0.221	C	C	.	.	H	α-helix	trans	-64.5	-44.7	175.4	-84	-7.8	0	0	0	111.4	N357 C385 S386 E387 S392 L393	N357-D389 WeakPolarHBondContact CB-OD2 3.2Å; N357-D389 PolarHBondContact N-OD2 2.83Å; N357-D389 PolarHBondContact ND2-OD2 3.19Å; C385-D389 PolarHBondContact O-N 2.92Å; S386-D389 PolarHBondContact O-N 3.37Å; E387-D389 PolarHBondContact O-N 3.45Å; D389-S392 WeakPolarHBondContact O-CB 3.29Å; D389-S392 PolarHBondContact O-N 3.45Å; D389-L393 PolarHBondContact O-N 3.41Å
390	F	88.4	Confident	79.6	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.018	22%	0.224	C	C	.	.	H	α-helix	trans	-62.8	-45.7	173.8	177	-112.1	0	0	0	112	L206 I253 L354 M356 S386 E387 S392 L393 I394 L402	L206-F390 HydrophobicContact CD1-CD1 3.89Å; L206-F390 HydrophobicContact CD1-CE1 3.48Å; L206-F390 VanDerWaalsContact CD1-CE1 3.48Å; L206-F390 HydrophobicContact CD1-CZ 4.29Å; I253-F390 HydrophobicContact CD1-CD1 3.9Å; I253-F390 HydrophobicContact CD1-CD2 4.17Å; I253-F390 HydrophobicContact CD1-CE1 3.63Å; I253-F390 HydrophobicContact CD1-CE2 3.93Å; I253-F390 HydrophobicContact CD1-CG 4.17Å; I253-F390 HydrophobicContact CD1-CZ 3.65Å; I253-F390 HydrophobicContact CG1-CD1 4.47Å; I253-F390 HydrophobicContact CG1-CE1 3.78Å; I253-F390 HydrophobicContact CG1-CZ 3.81Å; L354-F390 HydrophobicContact CB-CD2 4.18Å; L354-F390 HydrophobicContact CD2-CD2 4.39Å; L354-F390 HydrophobicContact CD2-CE2 3.96Å; L354-F390 WeakPolarHBondContact O-CD2 3.49Å; M356-F390 HydrophobicContact CE-CB 3.92Å; M356-F390 HydrophobicContact CE-CG 4.36Å; S386-F390 PolarHBondContact O-N 3.43Å; S386-F390 VanDerWaalsContact O-N 3.12Å; E387-F390 PolarHBondContact O-N 2.82Å; F390-S392 VanDerWaalsContact C-N 3.29Å; F390-S392 PolarHBondContact O-N 3.34Å; F390-L393 WeakPolarHBondContact O-CB 3.34Å; F390-L393 PolarHBondContact O-N 3.23Å; F390-I394 HydrophobicContact CD2-CG1 4.4Å; F390-I394 HydrophobicContact CE1-CG1 4.25Å; F390-I394 HydrophobicContact CE2-CD1 3.89Å; F390-I394 HydrophobicContact CE2-CG1 3.94Å; F390-I394 HydrophobicContact CZ-CD1 4.02Å; F390-I394 HydrophobicContact CZ-CG1 3.85Å; F390-I394 WeakPolarHBondContact O-CG1 3.25Å; F390-I394 PolarHBondContact O-N 3.47Å; F390-I394 VanDerWaalsContact O-N 3.1Å; F390-L402 HydrophobicContact CE2-CD1 3.98Å; F390-L402 HydrophobicContact CZ-CD1 4.36Å
391	E	83	Confident	78.9	Confident	52 Å²	52	44.8 Å²	44.8	24%	0.243	23%	0.228	C	C	.	.	H	α-helix	trans	-58.5	-41.9	174.1	-71.8	-160.2	144.4	0	0	112	A205 L206 E387 Q388 I394 V395	A205-E391 WeakPolarHBondContact CA-OE1 3.31Å; L206-E391 HydrophobicContact CD1-CG 4.26Å; L206-E391 HydrophobicContact CG-CG 4.29Å; E387-E391 WeakPolarHBondContact O-CG 3.26Å; E387-E391 PolarHBondContact O-N 3.34Å; Q388-E391 PolarHBondContact O-N 3.41Å; E391-I394 PolarHBondContact O-N 3.21Å; E391-V395 WeakPolarHBondContact O-CB 3.16Å; E391-V395 VanDerWaalsContact O-CG2 3.25Å; E391-V395 WeakPolarHBondContact O-CG2 3.04Å; E391-V395 PolarHBondContact O-N 2.99Å
392	S	75.6	Confident	78.7	Confident	37 Å²	37	43 Å²	43	26%	0.259	22%	0.22	S	C	.	.	H	α-helix	trans	-60.7	-43.5	176.6	175.3	0	0	0	0	111.6	Q388 D389 F390 V395 R396	Q388-S392 WeakPolarHBondContact O-CB 3.48Å; Q388-S392 PolarHBondContact O-N 2.99Å; D389-S392 WeakPolarHBondContact O-CB 3.29Å; D389-S392 PolarHBondContact O-N 3.45Å; F390-S392 VanDerWaalsContact C-N 3.29Å; F390-S392 PolarHBondContact O-N 3.34Å; S392-V395 PolarHBondContact O-N 3.15Å; S392-R396 WeakPolarHBondContact O-CB 3.49Å; S392-R396 WeakPolarHBondContact O-CG 3.33Å; S392-R396 PolarHBondContact O-N 3.13Å; S392-R396 PolarHBondContact OG-NE 3.41Å; S392-R396 PolarHBondContact OG-NH2 3.02Å; S392-R396 VanDerWaalsContact OG-NH2 3.16Å
393	L	76.9	Confident	77.9	Confident	25 Å²	25	46.6 Å²	46.6	13%	0.131	23%	0.232	C	C	.	.	H	α-helix	trans	-57.9	-51.5	174.1	177.3	68.3	0	0	0	111.6	V322 L354 D389 F390 V395 R396 G397 G398	V322-L393 HydrophobicContact CG1-CD2 3.63Å; L354-L393 WeakPolarHBondContact O-CD2 3.42Å; D389-L393 PolarHBondContact O-N 3.41Å; F390-L393 WeakPolarHBondContact O-CB 3.34Å; F390-L393 PolarHBondContact O-N 3.23Å; L393-V395 VanDerWaalsContact C-N 3.34Å; L393-V395 PolarHBondContact O-N 3.35Å; L393-R396 PolarHBondContact O-N 2.9Å; L393-G397 PolarHBondContact O-N 2.73Å; L393-G398 PolarHBondContact O-N 2.69Å
394	I	75.6	Confident	76.8	Confident	18 Å²	18	48.2 Å²	48.2	9%	0.092	24%	0.241	C	C	.	.	H	α-helix	trans	-65.1	-37.7	-178.4	-57.9	-56.8	0	0	0	111.5	L206 F390 E391 G397 L402	L206-I394 HydrophobicContact CD1-CB 4.19Å; L206-I394 HydrophobicContact CD1-CG1 3.89Å; L206-I394 HydrophobicContact CD1-CG2 4.4Å; L206-I394 HydrophobicContact CD2-CB 4.09Å; L206-I394 HydrophobicContact CD2-CG2 3.66Å; F390-I394 HydrophobicContact CD2-CG1 4.4Å; F390-I394 HydrophobicContact CE1-CG1 4.25Å; F390-I394 HydrophobicContact CE2-CD1 3.89Å; F390-I394 HydrophobicContact CE2-CG1 3.94Å; F390-I394 HydrophobicContact CZ-CD1 4.02Å; F390-I394 HydrophobicContact CZ-CG1 3.85Å; F390-I394 WeakPolarHBondContact O-CG1 3.25Å; F390-I394 PolarHBondContact O-N 3.47Å; F390-I394 VanDerWaalsContact O-N 3.1Å; E391-I394 PolarHBondContact O-N 3.21Å; I394-G397 PolarHBondContact O-N 3.43Å; I394-G397 VanDerWaalsContact O-N 3.17Å; I394-L402 HydrophobicContact CD1-CD1 4.33Å
395	V	66.1	Low	76	Confident	93 Å²	93	43.3 Å²	43.3	56%	0.564	22%	0.22	S	C	*	.	H	α-helix	trans	-68.5	-33.2	177.6	169.4	0	0	0	0	112.3	E391 S392 L393 G397	E391-V395 WeakPolarHBondContact O-CB 3.16Å; E391-V395 VanDerWaalsContact O-CG2 3.25Å; E391-V395 WeakPolarHBondContact O-CG2 3.04Å; E391-V395 PolarHBondContact O-N 2.99Å; S392-V395 PolarHBondContact O-N 3.15Å; L393-V395 VanDerWaalsContact C-N 3.34Å; L393-V395 PolarHBondContact O-N 3.35Å; V395-G397 PolarHBondContact O-N 3.08Å
396	R	60	Low	74.9	Confident	157 Å²	157	42.5 Å²	42.5	59%	0.592	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-2.8	172.9	-67.3	172.6	-160.3	-143.5	5.5	113.6	S392 L393	S392-R396 WeakPolarHBondContact O-CB 3.49Å; S392-R396 WeakPolarHBondContact O-CG 3.33Å; S392-R396 PolarHBondContact O-N 3.13Å; S392-R396 PolarHBondContact OG-NE 3.41Å; S392-R396 PolarHBondContact OG-NH2 3.02Å; S392-R396 VanDerWaalsContact OG-NH2 3.16Å; L393-R396 PolarHBondContact O-N 2.9Å
397	G	55.1	Low	73.5	Confident	13 Å²	13	44.7 Å²	44.7	13%	0.134	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	24.1	-180	0	0	0	0	0	114.2	L393 I394 V395 R515	L393-G397 PolarHBondContact O-N 2.73Å; I394-G397 PolarHBondContact O-N 3.43Å; I394-G397 VanDerWaalsContact O-N 3.17Å; V395-G397 PolarHBondContact O-N 3.08Å; G397-R515 PolarHBondContact O-NH2 3.47Å
398	G	65.8	Low	71.7	Confident	14 Å²	14	42 Å²	42	14%	0.144	22%	0.221	C	C	.	.			trans	-81.1	173.8	160	0	0	0	0	0	111.8	L393 V400	L393-G398 PolarHBondContact O-N 2.69Å; G398-V400 VanDerWaalsContact C-N 3.35Å; G398-V400 PolarHBondContact O-N 2.84Å
399	G	72.9	Confident	70.1	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.01	22%	0.221	C	C	.	.			trans	63.7	30.8	172.9	0	0	0	0	0	115.2	C323 L402	C323-G399 VanDerWaalsContact SG-C 3.56Å; C323-G399 VanDerWaalsContact SG-CA 3.53Å; G399-L402 WeakPolarHBondContact O-CB 3.34Å; G399-L402 PolarHBondContact O-N 2.89Å; G399-L402 VanDerWaalsContact O-N 3.17Å
400	V	71.1	Confident	68.6	Low	25 Å²	25	39.4 Å²	39.4	15%	0.152	22%	0.217	C	C	.	.	S	Bend	trans	-69.1	-35.3	-176.7	-165.6	0	0	0	0	112.4	C323 G398 L402 R403 D495	C323-V400 PolarHBondContact SG-N 3.16Å; G398-V400 VanDerWaalsContact C-N 3.35Å; G398-V400 PolarHBondContact O-N 2.84Å; V400-L402 PolarHBondContact O-N 3.3Å; V400-R403 WeakPolarHBondContact O-CB 3.19Å; V400-R403 WeakPolarHBondContact O-CG 3.27Å; V400-R403 PolarHBondContact O-N 3.16Å; V400-D495 HydrophobicContact CB-CB 4.39Å; V400-D495 VanDerWaalsContact CB-OD2 3.27Å; V400-D495 WeakPolarHBondContact CB-OD2 3.15Å; V400-D495 HydrophobicContact CG1-CB 3.99Å; V400-D495 WeakPolarHBondContact CG1-OD2 3.46Å
401	C	74	Confident	66.8	Low	19 Å²	19	39.9 Å²	39.9	13%	0.128	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-58.9	-25.2	171.2	66.7	0	0	0	0	113.4	D297 C323 R403 N404	D297-C401 VanDerWaalsContact CG-SG 3.5Å; D297-C401 WeakPolarHBondContact OD1-CB 3.24Å; D297-C401 PolarHBondContact OD1-SG 3.08Å; C323-C401 WeakPolarHBondContact CA-SG 3.37Å; C323-C401 HydrophobicContact CB-CB 3.73Å; C323-C401 WeakPolarHBondContact CB-SG 3.26Å; C323-C401 WeakPolarHBondContact SG-CB 3.49Å; C323-C401 PolarHBondContact SG-N 3.12Å; C323-C401 CovalentContact SG-SG 2.02Å; C323-C401 PolarHBondContact SG-SG 2.9Å; C401-R403 PolarHBondContact O-N 2.97Å; C401-N404 PolarHBondContact O-N 2.8Å; C401-N404 PolarHBondContact O-ND2 3.11Å; C401-N404 PolarHBondContact O-OD1 2.88Å
402	L	84.9	Confident	65.1	Low	1 Å²	1	38.9 Å²	38.9	1%	0.005	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-71.8	4.4	-178.3	-53.8	178.6	0	0	0	114.2	S210 Y211 V212 D297 V322 L354 F390 I394 G399 V400	S210-L402 CarbonylContact C-O 3.3Å; S210-L402 WeakPolarHBondContact CA-O 3.33Å; Y211-L402 PolarHBondContact N-O 2.99Å; Y211-L402 VanDerWaalsContact O-CA 3.23Å; Y211-L402 WeakPolarHBondContact O-CA 3.33Å; Y211-L402 WeakPolarHBondContact O-CD2 3.41Å; V212-L402 HydrophobicContact CB-CD2 4.38Å; V212-L402 HydrophobicContact CG2-CD2 3.74Å; D297-L402 HydrophobicContact CB-CD2 4.33Å; V322-L402 HydrophobicContact CG1-CD1 4.25Å; V322-L402 HydrophobicContact CG2-CD1 3.94Å; V322-L402 HydrophobicContact CG2-CD2 3.64Å; V322-L402 HydrophobicContact CG2-CG 3.96Å; L354-L402 HydrophobicContact CD2-CD1 3.65Å; F390-L402 HydrophobicContact CE2-CD1 3.98Å; F390-L402 HydrophobicContact CZ-CD1 4.36Å; I394-L402 HydrophobicContact CD1-CD1 4.33Å; G399-L402 WeakPolarHBondContact O-CB 3.34Å; G399-L402 PolarHBondContact O-N 2.89Å; G399-L402 VanDerWaalsContact O-N 3.17Å; V400-L402 PolarHBondContact O-N 3.3Å
403	R	75.4	Confident	63.9	Low	97 Å²	97	38.6 Å²	38.6	37%	0.366	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-101.6	-12	-174.9	-57.7	179.3	-175.5	-171.4	4	113.3	V400 C401 Q405	V400-R403 WeakPolarHBondContact O-CB 3.19Å; V400-R403 WeakPolarHBondContact O-CG 3.27Å; V400-R403 PolarHBondContact O-N 3.16Å; C401-R403 PolarHBondContact O-N 2.97Å; R403-Q405 PolarHBondContact O-N 3.23Å
404	N	69.1	Low	62.6	Low	36 Å²	36	40 Å²	40	19%	0.193	23%	0.229	C	C	.	.			trans	-81.3	102.8	168.4	34.8	-87.5	0	0	0	110.1	E213 C401	E213-N404 PolarHBondContact OE1-ND2 3Å; C401-N404 PolarHBondContact O-N 2.8Å; C401-N404 PolarHBondContact O-ND2 3.11Å; C401-N404 PolarHBondContact O-OD1 2.88Å
405	Q	69.3	Low	61.9	Low	41 Å²	41	41.3 Å²	41.3	19%	0.192	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-61.6	128.5	160.2	-179.2	168.1	20.3	0	0	109.3	Y211 R403 R421	Y211-Q405 HydrophobicContact CD2-CB 3.93Å; Y211-Q405 HydrophobicContact CD2-CG 4.45Å; Y211-Q405 HydrophobicContact CE1-CG 4.03Å; Y211-Q405 HydrophobicContact CE2-CB 3.64Å; Y211-Q405 HydrophobicContact CE2-CG 3.89Å; Y211-Q405 HydrophobicContact CG-CB 4.5Å; Y211-Q405 PolarHBondContact OH-NE2 3.38Å; R403-Q405 PolarHBondContact O-N 3.23Å; Q405-R421 VanDerWaalsContact NE2-CA 3.32Å
406	P	64.2	Low	62	Low	19 Å²	19	40.2 Å²	40.2	12%	0.123	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-54.8	150.7	170.6	-26.8	36	0	0	0	111.4	V256 D410	V256-P406 HydrophobicContact CG1-CG 4.28Å; V256-P406 HydrophobicContact CG2-CG 4.22Å; P406-D410 HydrophobicContact CB-CB 4.15Å
407	S	60.2	Low	62.7	Low	46 Å²	46	35.1 Å²	35.1	32%	0.322	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-66.4	160.5	-172.6	85.4	0	0	0	0	112.5	S409 D410	S407-S409 PolarHBondContact O-N 3.3Å; S407-S409 PolarHBondContact OG-N 3.41Å; S407-S409 PolarHBondContact OG-OG 3.12Å; S407-D410 VanDerWaalsContact CB-OD2 3.24Å; S407-D410 WeakPolarHBondContact CB-OD2 3.49Å; S407-D410 PolarHBondContact N-OD2 3.36Å; S407-D410 CarbonylContact O-C 3.29Å; S407-D410 VanDerWaalsContact O-CA 3.25Å; S407-D410 WeakPolarHBondContact O-CA 3.37Å; S407-D410 WeakPolarHBondContact O-CB 3.45Å; S407-D410 PolarHBondContact O-N 3.23Å; S407-D410 VanDerWaalsContact OG-CG 3.24Å; S407-D410 PolarHBondContact OG-N 3.4Å; S407-D410 PolarHBondContact OG-OD2 2.87Å
408	A	51.9	Low	63.5	Low	20 Å²	20	35.1 Å²	35.1	17%	0.165	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-58.5	-30.5	174.7	0	0	0	0	0	113.1	D410 L422 K424	A408-D410 VanDerWaalsContact C-N 3.26Å; A408-L422 WeakPolarHBondContact CA-O 3.13Å; A408-L422 HydrophobicContact CB-CD2 4.05Å; A408-L422 HydrophobicContact CB-CG 3.94Å; A408-K424 WeakPolarHBondContact O-CA 3.29Å; A408-K424 WeakPolarHBondContact O-CB 3.27Å; A408-K424 PolarHBondContact O-N 2.88Å
409	S	50.7	Low	63.3	Low	82 Å²	82	36.8 Å²	36.8	57%	0.573	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-73.1	-17.9	171.2	26.5	0	0	0	0	113.4	P90 S407 V411	P90-S409 WeakPolarHBondContact CG-O 3.31Å; S407-S409 PolarHBondContact O-N 3.3Å; S407-S409 PolarHBondContact OG-N 3.41Å; S407-S409 PolarHBondContact OG-OG 3.12Å; S409-V411 VanDerWaalsContact C-N 3.33Å
410	D	51.4	Low	63	Low	28 Å²	28	38 Å²	38	15%	0.15	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-95.2	31.6	177.6	-60.3	-52.7	0	0	0	112.9	H89 P90 N91 P406 S407 A408	H89-D410 IonicContact CE1-OD1 3.86Å; H89-D410 PolarHBondContact CE1-OD1 3.47Å; H89-D410 VanDerWaalsContact CE1-OD1 3.28Å; H89-D410 WeakPolarHBondContact NE2-CB 3.48Å; H89-D410 VanDerWaalsContact NE2-CG 3.27Å; H89-D410 IonicContact NE2-OD1 3Å; H89-D410 PolarHBondContact NE2-OD1 3.06Å; H89-D410 IonicContact NE2-OD2 3.08Å; P90-D410 WeakPolarHBondContact CD-O 3.34Å; P90-D410 VanDerWaalsContact CG-CA 3.47Å; N91-D410 PolarHBondContact ND2-OD1 2.77Å; P406-D410 HydrophobicContact CB-CB 4.15Å; S407-D410 VanDerWaalsContact CB-OD2 3.24Å; S407-D410 WeakPolarHBondContact CB-OD2 3.49Å; S407-D410 PolarHBondContact N-OD2 3.36Å; S407-D410 CarbonylContact O-C 3.29Å; S407-D410 VanDerWaalsContact O-CA 3.25Å; S407-D410 WeakPolarHBondContact O-CA 3.37Å; S407-D410 WeakPolarHBondContact O-CB 3.45Å; S407-D410 PolarHBondContact O-N 3.23Å; S407-D410 VanDerWaalsContact OG-CG 3.24Å; S407-D410 PolarHBondContact OG-N 3.4Å; S407-D410 PolarHBondContact OG-OD2 2.87Å; A408-D410 VanDerWaalsContact C-N 3.26Å
411	V	49.8	Very low	62.8	Low	14 Å²	14	37.9 Å²	37.9	9%	0.085	23%	0.234	C	C	.	.			trans	-117.4	128.5	166.7	170.1	0	0	0	0	111.5	P90 S409 G413 D423	P90-V411 VanDerWaalsContact CG-N 3.3Å; S409-V411 VanDerWaalsContact C-N 3.33Å; V411-G413 PolarHBondContact O-N 2.83Å; V411-D423 WeakPolarHBondContact CG1-OD1 3.19Å; V411-D423 WeakPolarHBondContact CG2-OD1 3.46Å
412	I	47.3	Very low	62.6	Low	30 Å²	30	38.9 Å²	38.9	15%	0.154	24%	0.238	C	C	.	.			trans	-86.2	85.2	172.2	-53.4	177.7	0	0	0	109.5	R85 L88 P90 N113	R85-I412 WeakPolarHBondContact CB-O 3.49Å; R85-I412 PolarHBondContact O-N 2.56Å; L88-I412 HydrophobicContact CB-CD1 4.13Å; L88-I412 HydrophobicContact CD2-CD1 3.79Å; L88-I412 HydrophobicContact CG-CD1 3.77Å; L88-I412 WeakPolarHBondContact O-CG1 3.01Å; P90-I412 HydrophobicContact CB-CG1 4.07Å; P90-I412 HydrophobicContact CG-CG1 3.57Å; N113-I412 PolarHBondContact ND2-O 3.05Å
413	G	50.6	Low	61.8	Low	32 Å²	32	38.9 Å²	38.9	33%	0.33	24%	0.238	S	C	.	.	S	Bend	trans	175.4	-171.8	164.3	0	0	0	0	0	120.3	V411	V411-G413 PolarHBondContact O-N 2.83Å
414	T	49.7	Very low	61.4	Low	54 Å²	54	41.5 Å²	41.5	33%	0.331	25%	0.252	S	S	.	.			trans	-66.8	133.7	158.8	36	0	0	0	0	107.7	D64 R85	D64-T414 WeakPolarHBondContact OD2-CB 3.32Å; D64-T414 PolarHBondContact OD2-OG1 3.07Å; R85-T414 PolarHBondContact NE-OG1 2.77Å; R85-T414 PolarHBondContact NH2-OG1 3.31Å
415	A	60.8	Low	61.7	Low	45 Å²	45	42.4 Å²	42.4	37%	0.372	27%	0.27	S	S	.	.			trans	-70.2	130.8	175.2	0	0	0	0	0	109.7	D423 E426	A415-D423 HydrophobicContact CB-CB 3.46Å; A415-D423 VanDerWaalsContact CB-CB 3.46Å; A415-E426 HydrophobicContact CB-CG 4.24Å
416	E	67.1	Low	62.3	Low	70 Å²	70	41.6 Å²	41.6	33%	0.327	27%	0.266	S	S	.	.			trans	-118.1	101.9	175.2	-179	173.9	-148	0	0	110.9	K65 G418 N419 D423	K65-E416 WeakPolarHBondContact CE-OE1 3.26Å; K65-E416 IonicContact NZ-OE1 2.72Å; K65-E416 PolarHBondContact NZ-OE1 3.4Å; E416-G418 PolarHBondContact O-N 2.84Å; E416-N419 WeakPolarHBondContact O-CB 3.26Å; E416-N419 PolarHBondContact O-N 2.73Å; E416-N419 PolarHBondContact O-ND2 3Å; E416-D423 PolarHBondContact N-OD2 3.2Å
417	C	76.5	Confident	63.3	Low	50 Å²	50	45.1 Å²	45.1	34%	0.338	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	125.4	-179.7	176.3	0	0	0	0	112.8	E426 T445 C446	C417-E426 VanDerWaalsContact CA-OE1 3.25Å; C417-E426 WeakPolarHBondContact CA-OE1 3.33Å; C417-E426 PolarHBondContact N-OE1 3.38Å; C417-E426 VanDerWaalsContact N-OE1 3.13Å; C417-T445 VanDerWaalsContact SG-C 3.57Å; C417-C446 WeakPolarHBondContact CA-SG 3.06Å; C417-C446 HydrophobicContact CB-CB 3.6Å; C417-C446 WeakPolarHBondContact CB-SG 3.26Å; C417-C446 VanDerWaalsContact SG-CA 3.59Å; C417-C446 WeakPolarHBondContact SG-CB 3.46Å; C417-C446 PolarHBondContact SG-N 2.9Å; C417-C446 CovalentContact SG-SG 2.03Å; C417-C446 PolarHBondContact SG-SG 3.08Å
418	G	70.1	Confident	64.5	Low	13 Å²	13	43 Å²	43	13%	0.134	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	102.9	12.2	177.1	0	0	0	0	0	113.4	E416 G420 D429 G431 T432 C446	E416-G418 PolarHBondContact O-N 2.84Å; G418-G420 VanDerWaalsContact C-N 3.32Å; G418-D429 WeakPolarHBondContact CA-OD1 3.2Å; G418-D429 WeakPolarHBondContact CA-OD2 3.12Å; G418-D429 PolarHBondContact N-OD2 2.81Å; G418-G431 WeakPolarHBondContact CA-O 3.43Å; G418-G431 CarbonylContact O-C 3.49Å; G418-G431 VanDerWaalsContact O-C 3.26Å; G418-G431 WeakPolarHBondContact O-CA 3.3Å; G418-T432 PolarHBondContact O-N 3.46Å; G418-C446 PolarHBondContact N-SG 2.78Å; G418-C446 VanDerWaalsContact N-SG 3.4Å
419	N	63.1	Low	65.9	Low	49 Å²	49	42.3 Å²	42.3	26%	0.262	26%	0.26	S	S	.	.	S	Bend	trans	-87.5	0.1	177.5	78.5	39.5	0	0	0	113.2	E416 R421 D423 D429	E416-N419 WeakPolarHBondContact O-CB 3.26Å; E416-N419 PolarHBondContact O-N 2.73Å; E416-N419 PolarHBondContact O-ND2 3Å; N419-R421 PolarHBondContact ND2-NH2 2.76Å; N419-R421 VanDerWaalsContact ND2-NH2 3.16Å; N419-R421 WeakPolarHBondContact OD1-CA 2.95Å; N419-R421 VanDerWaalsContact OD1-CB 3.27Å; N419-R421 WeakPolarHBondContact OD1-CB 3.24Å; N419-R421 PolarHBondContact OD1-N 3.16Å; N419-R421 PolarHBondContact OD1-O 2.99Å; N419-D423 PolarHBondContact ND2-OD2 2.98Å; N419-D429 PolarHBondContact N-OD2 3.1Å
420	G	65.8	Low	67.2	Low	27 Å²	27	39.6 Å²	39.6	28%	0.278	24%	0.24	S	C	.	.	S	Bend	trans	80.5	10.7	179.6	0	0	0	0	0	114.3	G418 D429	G418-G420 VanDerWaalsContact C-N 3.32Å; G420-D429 VanDerWaalsContact CA-OD1 3.28Å; G420-D429 WeakPolarHBondContact CA-OD1 3.45Å; G420-D429 PolarHBondContact N-OD1 3.04Å; G420-D429 PolarHBondContact N-OD2 3.01Å
421	R	66.9	Low	68.3	Low	22 Å²	22	38.6 Å²	38.6	8%	0.083	24%	0.237	C	C	.	.	S	Bend	trans	-141.9	131.6	-175.9	160.1	-161.1	70.5	107.7	10.6	111.1	Q405 N419 D423	Q405-R421 VanDerWaalsContact NE2-CA 3.32Å; N419-R421 PolarHBondContact ND2-NH2 2.76Å; N419-R421 VanDerWaalsContact ND2-NH2 3.16Å; N419-R421 WeakPolarHBondContact OD1-CA 2.95Å; N419-R421 VanDerWaalsContact OD1-CB 3.27Å; N419-R421 WeakPolarHBondContact OD1-CB 3.24Å; N419-R421 PolarHBondContact OD1-N 3.16Å; N419-R421 PolarHBondContact OD1-O 2.99Å; R421-D423 IonicContact CZ-OD1 3.28Å; R421-D423 IonicContact CZ-OD2 2.68Å; R421-D423 IonicContact NE-OD1 3.51Å; R421-D423 IonicContact NH1-OD1 3.43Å; R421-D423 PolarHBondContact NH1-OD1 3.32Å; R421-D423 IonicContact NH2-OD1 3.42Å; R421-D423 PolarHBondContact NH2-OD1 3.5Å; R421-D423 IonicContact NH2-OD2 3.26Å; R421-D423 PolarHBondContact NH2-OD2 3.28Å; R421-D423 PolarHBondContact O-N 2.82Å; R421-D423 VanDerWaalsContact O-N 3.17Å
422	L	70.9	Confident	69.5	Low	40 Å²	40	40.6 Å²	40.6	21%	0.209	25%	0.249	C	C	.	.			trans	-67.8	107.8	-176	-176.7	73.5	0	0	0	111.5	A408 E426 C428	A408-L422 WeakPolarHBondContact CA-O 3.13Å; A408-L422 HydrophobicContact CB-CD2 4.05Å; A408-L422 HydrophobicContact CB-CG 3.94Å; L422-E426 HydrophobicContact CD1-CB 3.95Å; L422-C428 VanDerWaalsContact CD1-N 3.31Å
423	D	67.1	Low	71.1	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	27%	0.269	C	S	.	.			trans	-98.7	166.7	179.1	-74.9	-26.4	0	0	0	113.7	V411 A415 E416 N419 R421 G425 E426	V411-D423 WeakPolarHBondContact CG1-OD1 3.19Å; V411-D423 WeakPolarHBondContact CG2-OD1 3.46Å; A415-D423 HydrophobicContact CB-CB 3.46Å; A415-D423 VanDerWaalsContact CB-CB 3.46Å; E416-D423 PolarHBondContact N-OD2 3.2Å; N419-D423 PolarHBondContact ND2-OD2 2.98Å; R421-D423 IonicContact CZ-OD1 3.28Å; R421-D423 IonicContact CZ-OD2 2.68Å; R421-D423 IonicContact NE-OD1 3.51Å; R421-D423 IonicContact NH1-OD1 3.43Å; R421-D423 PolarHBondContact NH1-OD1 3.32Å; R421-D423 IonicContact NH2-OD1 3.42Å; R421-D423 PolarHBondContact NH2-OD1 3.5Å; R421-D423 IonicContact NH2-OD2 3.26Å; R421-D423 PolarHBondContact NH2-OD2 3.28Å; R421-D423 PolarHBondContact O-N 2.82Å; R421-D423 VanDerWaalsContact O-N 3.17Å; D423-G425 PolarHBondContact O-N 3.05Å; D423-E426 HydrophobicContact CB-CG 4.48Å; D423-E426 PolarHBondContact N-OE2 2.87Å; D423-E426 WeakPolarHBondContact O-CB 3.35Å; D423-E426 PolarHBondContact O-N 2.91Å
424	K	68.1	Low	72.4	Confident	152 Å²	152	51.6 Å²	51.6	66%	0.661	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	105.9	-177.4	-171.7	-176.8	175.4	178.7	0	112.4	A408	A408-K424 WeakPolarHBondContact O-CA 3.29Å; A408-K424 WeakPolarHBondContact O-CB 3.27Å; A408-K424 PolarHBondContact O-N 2.88Å
425	G	73.7	Confident	73.7	Confident	56 Å²	56	54.8 Å²	54.8	58%	0.577	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	114.9	-13.5	178.6	0	0	0	0	0	113.2	D423 K447	D423-G425 PolarHBondContact O-N 3.05Å; G425-K447 PolarHBondContact O-NZ 3.35Å
426	E	83.1	Confident	74.7	Confident	23 Å²	23	53.9 Å²	53.9	11%	0.107	29%	0.291	C	S	.	.			trans	-82.7	162.2	170.8	-60.3	174.8	170	0	0	110.7	A415 C417 L422 D423 C446	A415-E426 HydrophobicContact CB-CG 4.24Å; C417-E426 VanDerWaalsContact CA-OE1 3.25Å; C417-E426 WeakPolarHBondContact CA-OE1 3.33Å; C417-E426 PolarHBondContact N-OE1 3.38Å; C417-E426 VanDerWaalsContact N-OE1 3.13Å; L422-E426 HydrophobicContact CD1-CB 3.95Å; D423-E426 HydrophobicContact CB-CG 4.48Å; D423-E426 PolarHBondContact N-OE2 2.87Å; D423-E426 WeakPolarHBondContact O-CB 3.35Å; D423-E426 PolarHBondContact O-N 2.91Å; E426-C446 WeakPolarHBondContact CA-O 3.07Å; E426-C446 HydrophobicContact CB-CB 4Å; E426-C446 HydrophobicContact CG-CB 3.67Å
427	E	85.3	Confident	75.6	Confident	94 Å²	94	59.9 Å²	59.9	44%	0.439	32%	0.316	S	S	.	.	S	Bend	trans	-118	-16.5	174.8	-64.1	156.9	-159.6	0	0	111.6	C446 K447 L448	E427-C446 PolarHBondContact N-O 2.83Å; E427-K447 HydrophobicContact CB-CD 4.48Å; E427-K447 VanDerWaalsContact CD-CD 3.46Å; E427-K447 HydrophobicContact CG-CD 4.04Å; E427-K447 WeakPolarHBondContact OE1-CD 3.38Å; E427-K447 WeakPolarHBondContact OE1-CE 3.33Å; E427-K447 IonicContact OE1-NZ 2.87Å; E427-K447 PolarHBondContact OE1-NZ 2.89Å; E427-L448 HydrophobicContact CB-CB 4.46Å; E427-L448 HydrophobicContact CB-CD1 4.06Å; E427-L448 HydrophobicContact CB-CG 3.78Å; E427-L448 PolarHBondContact OE2-N 3.39Å; E427-L448 VanDerWaalsContact OE2-N 3.12Å
428	C	84	Confident	75.9	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.007	31%	0.31	C	S	.	.			trans	-163.4	148.5	172.7	61.1	0	0	0	0	109.4	L422 C441 C446 K447 L448 A455	L422-C428 VanDerWaalsContact CD1-N 3.31Å; C428-C441 HydrophobicContact CB-CB 3.74Å; C428-C441 WeakPolarHBondContact CB-SG 3.47Å; C428-C441 PolarHBondContact O-SG 3.18Å; C428-C441 VanDerWaalsContact O-SG 3.34Å; C428-C441 WeakPolarHBondContact SG-CA 3.4Å; C428-C441 WeakPolarHBondContact SG-CB 3.32Å; C428-C441 CovalentContact SG-SG 2.03Å; C428-C441 PolarHBondContact SG-SG 3.28Å; C428-C446 PolarHBondContact N-O 2.89Å; C428-C446 CarbonylContact O-C 3.32Å; C428-C446 VanDerWaalsContact O-C 3.26Å; C428-C446 WeakPolarHBondContact O-CA 3.31Å; C428-C446 WeakPolarHBondContact O-CB 3.28Å; C428-K447 PolarHBondContact SG-O 2.8Å; C428-L448 HydrophobicContact CB-CD2 4.16Å; C428-A455 HydrophobicContact CB-CB 3.48Å; C428-A455 VanDerWaalsContact CB-CB 3.48Å
429	D	81.1	Confident	76.9	Confident	6 Å²	6	67 Å²	67	3%	0.032	34%	0.342	C	S	.	.			trans	-135.4	131.9	163.2	-173.9	-30.5	0	0	0	107.6	G418 N419 G420 G431 H456	G418-D429 WeakPolarHBondContact CA-OD1 3.2Å; G418-D429 WeakPolarHBondContact CA-OD2 3.12Å; G418-D429 PolarHBondContact N-OD2 2.81Å; N419-D429 PolarHBondContact N-OD2 3.1Å; G420-D429 VanDerWaalsContact CA-OD1 3.28Å; G420-D429 WeakPolarHBondContact CA-OD1 3.45Å; G420-D429 PolarHBondContact N-OD1 3.04Å; G420-D429 PolarHBondContact N-OD2 3.01Å; D429-G431 PolarHBondContact OD1-N 2.93Å; D429-H456 PolarHBondContact O-CE1 2.65Å
430	C	78.5	Confident	78.4	Confident	24 Å²	24	65.2 Å²	65.2	16%	0.162	33%	0.334	C	S	.	.			trans	-124.5	18.7	-176.2	53.3	0	0	0	0	113.3	C436 N438 C441	C430-C436 HydrophobicContact CB-CB 3.83Å; C430-C436 WeakPolarHBondContact CB-SG 3.44Å; C430-C436 WeakPolarHBondContact O-CA 3.03Å; C430-C436 WeakPolarHBondContact O-CB 3.47Å; C430-C436 WeakPolarHBondContact SG-CB 3.39Å; C430-C436 CovalentContact SG-SG 2.03Å; C430-C436 PolarHBondContact SG-SG 3Å; C430-N438 HydrophobicContact CB-CB 3.99Å; C430-C441 HydrophobicContact CB-CB 4.38Å
431	G	74.1	Confident	79.7	Confident	8 Å²	8	64.3 Å²	64.3	8%	0.082	32%	0.323	C	S	.	.	S	Bend	trans	86.2	-170.3	-172.6	0	0	0	0	0	112.7	G418 D429	G418-G431 WeakPolarHBondContact CA-O 3.43Å; G418-G431 CarbonylContact O-C 3.49Å; G418-G431 VanDerWaalsContact O-C 3.26Å; G418-G431 WeakPolarHBondContact O-CA 3.3Å; D429-G431 PolarHBondContact OD1-N 2.93Å
432	T	75.7	Confident	81	Confident	55 Å²	55	66.2 Å²	66.2	34%	0.337	34%	0.335	S	S	.	.	S	Bend	trans	-62	166.2	-179.6	62.8	0	0	0	0	112.2	G418 E434 E435 C436	G418-T432 PolarHBondContact O-N 3.46Å; T432-E434 PolarHBondContact O-N 3.22Å; T432-E435 WeakPolarHBondContact CB-OE2 3.15Å; T432-E435 WeakPolarHBondContact CG2-OE2 3.32Å; T432-E435 PolarHBondContact N-OE2 2.93Å; T432-E435 VanDerWaalsContact N-OE2 3.17Å; T432-E435 PolarHBondContact O-N 3.43Å; T432-E435 VanDerWaalsContact O-N 3.1Å; T432-E435 VanDerWaalsContact OG1-CG 3.24Å; T432-E435 WeakPolarHBondContact OG1-CG 3.24Å; T432-E435 PolarHBondContact OG1-N 3.08Å; T432-E435 PolarHBondContact OG1-OE2 3.29Å; T432-C436 VanDerWaalsContact O-CB 3.31Å; T432-C436 WeakPolarHBondContact O-CB 3.18Å; T432-C436 PolarHBondContact O-N 3.33Å
433	K	81.7	Confident	81.8	Confident	133 Å²	133	65 Å²	65	58%	0.578	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-29.5	-179.9	-66.9	-176.9	-178.8	-173.8	0	112.9	A443 A444	K433-A443 HydrophobicContact CG-CB 4.15Å; K433-A444 VanDerWaalsContact CE-CA 3.41Å
434	E	77.4	Confident	82.7	Confident	160 Å²	160	67.3 Å²	67.3	75%	0.748	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-29.5	-179.6	-65.3	65.7	-148.1	0	0	111.6	T432	T432-E434 PolarHBondContact O-N 3.22Å
435	E	76.4	Confident	83.7	Confident	122 Å²	122	63.5 Å²	63.5	57%	0.57	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-35.9	-178.3	-67.8	166.1	142.8	0	0	113	T432 K437	T432-E435 WeakPolarHBondContact CB-OE2 3.15Å; T432-E435 WeakPolarHBondContact CG2-OE2 3.32Å; T432-E435 PolarHBondContact N-OE2 2.93Å; T432-E435 VanDerWaalsContact N-OE2 3.17Å; T432-E435 PolarHBondContact O-N 3.43Å; T432-E435 VanDerWaalsContact O-N 3.1Å; T432-E435 VanDerWaalsContact OG1-CG 3.24Å; T432-E435 WeakPolarHBondContact OG1-CG 3.24Å; T432-E435 PolarHBondContact OG1-N 3.08Å; T432-E435 PolarHBondContact OG1-OE2 3.29Å; E435-K437 PolarHBondContact O-N 3.46Å
436	C	82.6	Confident	84.4	Confident	26 Å²	26	60.8 Å²	60.8	18%	0.176	31%	0.311	C	S	.	.			trans	-66.1	117.8	-172.9	178.5	0	0	0	0	112.3	C430 T432 A443	C430-C436 HydrophobicContact CB-CB 3.83Å; C430-C436 WeakPolarHBondContact CB-SG 3.44Å; C430-C436 WeakPolarHBondContact O-CA 3.03Å; C430-C436 WeakPolarHBondContact O-CB 3.47Å; C430-C436 WeakPolarHBondContact SG-CB 3.39Å; C430-C436 CovalentContact SG-SG 2.03Å; C430-C436 PolarHBondContact SG-SG 3Å; T432-C436 VanDerWaalsContact O-CB 3.31Å; T432-C436 WeakPolarHBondContact O-CB 3.18Å; T432-C436 PolarHBondContact O-N 3.33Å; C436-A443 HydrophobicContact CB-CB 3.68Å
437	K	85.3	Confident	84.9	Confident	196 Å²	196	63.2 Å²	63.2	85%	0.852	32%	0.322	S	S	*	.			trans	-108.1	13	176	-67.7	160.5	-169.7	161.8	0	112.5	E435	E435-K437 PolarHBondContact O-N 3.46Å
438	N	83.7	Confident	85.3	Confident	37 Å²	37	60.6 Å²	60.6	20%	0.198	31%	0.31	C	S	.	.			trans	-98.6	99.1	-171.2	-166.1	-17	0	0	0	111.4	C430 C440 C441 A455 H456	C430-N438 HydrophobicContact CB-CB 3.99Å; N438-C440 PolarHBondContact O-N 3.28Å; N438-C440 WeakPolarHBondContact OD1-CB 3.34Å; N438-C440 PolarHBondContact OD1-N 2.84Å; N438-C440 VanDerWaalsContact OD1-N 3.1Å; N438-C440 PolarHBondContact OD1-SG 3.37Å; N438-C441 HydrophobicContact CB-CB 4.42Å; N438-C441 PolarHBondContact O-N 2.78Å; N438-C441 VanDerWaalsContact O-O 3.08Å; N438-A455 PolarHBondContact ND2-O 3.07Å; N438-H456 PolarHBondContact ND2-CD2 3.2Å; N438-H456 VanDerWaalsContact ND2-CD2 3.26Å; N438-H456 PolarHBondContact ND2-NE2 2.96Å
439	E	91.4	Very high	85.8	Confident	174 Å²	174	62.6 Å²	62.6	81%	0.813	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-16.2	178.6	-58.8	-178.9	168.8	0	0	114.1	C441 T449	E439-C441 VanDerWaalsContact C-N 3.35Å; E439-T449 VanDerWaalsContact O-CG2 3.31Å; E439-T449 WeakPolarHBondContact O-CG2 3.41Å; E439-T449 PolarHBondContact O-OG1 3.12Å
440	C	94.2	Very high	86.4	Confident	13 Å²	13	74.8 Å²	74.8	9%	0.088	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-14.7	177.3	-49.3	0	0	0	0	113.5	N438 L448 T449 C454 A455 C463	N438-C440 PolarHBondContact O-N 3.28Å; N438-C440 WeakPolarHBondContact OD1-CB 3.34Å; N438-C440 PolarHBondContact OD1-N 2.84Å; N438-C440 VanDerWaalsContact OD1-N 3.1Å; N438-C440 PolarHBondContact OD1-SG 3.37Å; C440-L448 WeakPolarHBondContact O-CA 3.38Å; C440-T449 WeakPolarHBondContact CA-OG1 3.48Å; C440-T449 PolarHBondContact O-N 3.3Å; C440-T449 PolarHBondContact O-OG1 2.98Å; C440-C454 WeakPolarHBondContact CB-O 3.39Å; C440-A455 HydrophobicContact CB-CB 3.86Å; C440-C463 WeakPolarHBondContact CA-SG 3.22Å; C440-C463 HydrophobicContact CB-CB 3.57Å; C440-C463 WeakPolarHBondContact CB-SG 3.34Å; C440-C463 WeakPolarHBondContact SG-CA 3.27Å; C440-C463 WeakPolarHBondContact SG-CB 3.22Å; C440-C463 PolarHBondContact SG-N 3.18Å; C440-C463 VanDerWaalsContact SG-N 3.44Å; C440-C463 CovalentContact SG-SG 2.03Å; C440-C463 PolarHBondContact SG-SG 2.91Å
441	C	92.7	Very high	87	Confident	7 Å²	7	76.5 Å²	76.5	5%	0.047	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.9	-175.2	-165.5	0	0	0	0	111.7	C428 C430 N438 E439 A443 A455	C428-C441 HydrophobicContact CB-CB 3.74Å; C428-C441 WeakPolarHBondContact CB-SG 3.47Å; C428-C441 PolarHBondContact O-SG 3.18Å; C428-C441 VanDerWaalsContact O-SG 3.34Å; C428-C441 WeakPolarHBondContact SG-CA 3.4Å; C428-C441 WeakPolarHBondContact SG-CB 3.32Å; C428-C441 CovalentContact SG-SG 2.03Å; C428-C441 PolarHBondContact SG-SG 3.28Å; C430-C441 HydrophobicContact CB-CB 4.38Å; N438-C441 HydrophobicContact CB-CB 4.42Å; N438-C441 PolarHBondContact O-N 2.78Å; N438-C441 VanDerWaalsContact O-O 3.08Å; E439-C441 VanDerWaalsContact C-N 3.35Å; C441-A443 PolarHBondContact O-N 2.96Å; C441-A455 HydrophobicContact CB-CB 4.07Å
442	D	93.3	Very high	88	Confident	63 Å²	63	77.1 Å²	77.1	34%	0.337	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	98.7	169	176	16.3	0	0	0	109.8	A444 T445 C446 K447 T449	D442-A444 PolarHBondContact O-N 3.47Å; D442-A444 WeakPolarHBondContact OD1-CB 3.37Å; D442-A444 PolarHBondContact OD1-N 3.35Å; D442-T445 WeakPolarHBondContact CB-OG1 3.43Å; D442-T445 VanDerWaalsContact CG-OG1 3.22Å; D442-T445 PolarHBondContact O-N 2.93Å; D442-T445 VanDerWaalsContact OD2-CG2 3.31Å; D442-T445 WeakPolarHBondContact OD2-CG2 3.49Å; D442-T445 PolarHBondContact OD2-OG1 3.46Å; D442-C446 PolarHBondContact O-N 3.36Å; D442-K447 PolarHBondContact N-O 3.42Å; D442-T449 HydrophobicContact CB-CG2 4.32Å
443	A	87.9	Confident	88.9	Confident	15 Å²	15	76.9 Å²	76.9	12%	0.124	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-8.6	176.2	0	0	0	0	0	114.5	K433 C436 C441	K433-A443 HydrophobicContact CG-CB 4.15Å; C436-A443 HydrophobicContact CB-CB 3.68Å; C441-A443 PolarHBondContact O-N 2.96Å
444	A	86.1	Confident	89.3	Confident	49 Å²	49	71 Å²	71	41%	0.405	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-21	171	0	0	0	0	0	114.1	K433 D442	K433-A444 VanDerWaalsContact CE-CA 3.41Å; D442-A444 PolarHBondContact O-N 3.47Å; D442-A444 WeakPolarHBondContact OD1-CB 3.37Å; D442-A444 PolarHBondContact OD1-N 3.35Å
445	T	89.8	Confident	89.7	Confident	71 Å²	71	64 Å²	64	44%	0.436	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.6	-11.7	-169	61	0	0	0	0	114.1	C417 D442 K447	C417-T445 VanDerWaalsContact SG-C 3.57Å; D442-T445 WeakPolarHBondContact CB-OG1 3.43Å; D442-T445 VanDerWaalsContact CG-OG1 3.22Å; D442-T445 PolarHBondContact O-N 2.93Å; D442-T445 VanDerWaalsContact OD2-CG2 3.31Å; D442-T445 WeakPolarHBondContact OD2-CG2 3.49Å; D442-T445 PolarHBondContact OD2-OG1 3.46Å; T445-K447 PolarHBondContact O-N 3.15Å
446	C	89.2	Confident	89.9	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	37.3	-175.9	-68.1	0	0	0	0	112.4	C417 G418 E426 E427 C428 D442	C417-C446 WeakPolarHBondContact CA-SG 3.06Å; C417-C446 HydrophobicContact CB-CB 3.6Å; C417-C446 WeakPolarHBondContact CB-SG 3.26Å; C417-C446 VanDerWaalsContact SG-CA 3.59Å; C417-C446 WeakPolarHBondContact SG-CB 3.46Å; C417-C446 PolarHBondContact SG-N 2.9Å; C417-C446 CovalentContact SG-SG 2.03Å; C417-C446 PolarHBondContact SG-SG 3.08Å; G418-C446 PolarHBondContact N-SG 2.78Å; G418-C446 VanDerWaalsContact N-SG 3.4Å; E426-C446 WeakPolarHBondContact CA-O 3.07Å; E426-C446 HydrophobicContact CB-CB 4Å; E426-C446 HydrophobicContact CG-CB 3.67Å; E427-C446 PolarHBondContact N-O 2.83Å; C428-C446 PolarHBondContact N-O 2.89Å; C428-C446 CarbonylContact O-C 3.32Å; C428-C446 VanDerWaalsContact O-C 3.26Å; C428-C446 WeakPolarHBondContact O-CA 3.31Å; C428-C446 WeakPolarHBondContact O-CB 3.28Å; D442-C446 PolarHBondContact O-N 3.36Å
447	K	93.1	Very high	89.7	Confident	74 Å²	74	60.2 Å²	60.2	32%	0.322	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	149.8	176	-66.1	-53.2	-165.1	171.8	0	110.6	G425 E427 C428 D442 T445 T449	G425-K447 PolarHBondContact O-NZ 3.35Å; E427-K447 HydrophobicContact CB-CD 4.48Å; E427-K447 VanDerWaalsContact CD-CD 3.46Å; E427-K447 HydrophobicContact CG-CD 4.04Å; E427-K447 WeakPolarHBondContact OE1-CD 3.38Å; E427-K447 WeakPolarHBondContact OE1-CE 3.33Å; E427-K447 IonicContact OE1-NZ 2.87Å; E427-K447 PolarHBondContact OE1-NZ 2.89Å; C428-K447 PolarHBondContact SG-O 2.8Å; D442-K447 PolarHBondContact N-O 3.42Å; T445-K447 PolarHBondContact O-N 3.15Å; K447-T449 PolarHBondContact O-N 2.95Å
448	L	93.5	Very high	89.5	Confident	38 Å²	38	55.7 Å²	55.7	20%	0.199	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	135.8	174.5	-73.4	170.4	0	0	0	109.5	E427 C428 C440 C454 A455	E427-L448 HydrophobicContact CB-CB 4.46Å; E427-L448 HydrophobicContact CB-CD1 4.06Å; E427-L448 HydrophobicContact CB-CG 3.78Å; E427-L448 PolarHBondContact OE2-N 3.39Å; E427-L448 VanDerWaalsContact OE2-N 3.12Å; C428-L448 HydrophobicContact CB-CD2 4.16Å; C440-L448 WeakPolarHBondContact O-CA 3.38Å; L448-C454 VanDerWaalsContact CD2-C 3.42Å; L448-A455 HydrophobicContact CD2-CB 3.79Å
449	T	94.5	Very high	89.8	Confident	44 Å²	44	54 Å²	54	27%	0.27	29%	0.291	S	S	.	.			trans	-63.4	152.3	175.8	53.5	0	0	0	0	110.3	E439 C440 D442 K447 G451 S452	E439-T449 VanDerWaalsContact O-CG2 3.31Å; E439-T449 WeakPolarHBondContact O-CG2 3.41Å; E439-T449 PolarHBondContact O-OG1 3.12Å; C440-T449 WeakPolarHBondContact CA-OG1 3.48Å; C440-T449 PolarHBondContact O-N 3.3Å; C440-T449 PolarHBondContact O-OG1 2.98Å; D442-T449 HydrophobicContact CB-CG2 4.32Å; K447-T449 PolarHBondContact O-N 2.95Å; T449-G451 PolarHBondContact O-N 3.1Å; T449-S452 WeakPolarHBondContact O-CB 3.31Å; T449-S452 PolarHBondContact O-N 2.67Å; T449-S452 PolarHBondContact O-OG 3.14Å; T449-S452 PolarHBondContact OG1-OG 3.45Å
450	R	93.7	Very high	89.8	Confident	261 Å²	261	46.7 Å²	46.7	99%	0.985	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	116	-169.9	-177.2	-178.9	178.7	177.1	0.9	112
451	G	91.1	Very high	89.7	Confident	61 Å²	61	51 Å²	51	63%	0.629	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.7	-7.6	-179.1	0	0	0	0	0	113.9	T449 Q464	T449-G451 PolarHBondContact O-N 3.1Å; G451-Q464 PolarHBondContact O-NE2 3.29Å
452	S	95.3	Very high	89.7	Confident	21 Å²	21	59 Å²	59	15%	0.147	31%	0.312	C	S	.	.			trans	-77.6	134.9	174	-60.4	0	0	0	0	111.2	T449 C463	T449-S452 WeakPolarHBondContact O-CB 3.31Å; T449-S452 PolarHBondContact O-N 2.67Å; T449-S452 PolarHBondContact O-OG 3.14Å; T449-S452 PolarHBondContact OG1-OG 3.45Å; S452-C463 CarbonylContact C-O 3.58Å; S452-C463 WeakPolarHBondContact CA-O 3.1Å; S452-C463 WeakPolarHBondContact OG-CB 3.45Å
453	S	93.9	Very high	89.7	Confident	50 Å²	50	57 Å²	57	35%	0.35	30%	0.302	S	S	.	.	S	Bend	trans	-100	-17.7	171.4	-53.6	0	0	0	0	112.7	C463 Q464 F465	S453-C463 PolarHBondContact N-O 3.2Å; S453-Q464 PolarHBondContact OG-OE1 2.97Å; S453-F465 WeakPolarHBondContact O-CE1 3.42Å; S453-F465 WeakPolarHBondContact O-CZ 3.3Å
454	C	90.1	Very high	90.1	Very high	8 Å²	8	60.2 Å²	60.2	5%	0.054	32%	0.315	C	S	.	.			trans	-154.6	162.5	178.7	61.8	0	0	0	0	111.1	C440 L448 C460 C463 Q464 F465	C440-C454 WeakPolarHBondContact CB-O 3.39Å; L448-C454 VanDerWaalsContact CD2-C 3.42Å; C454-C460 HydrophobicContact CB-CB 3.88Å; C454-C460 WeakPolarHBondContact CB-SG 3.38Å; C454-C460 PolarHBondContact O-SG 2.75Å; C454-C460 VanDerWaalsContact O-SG 3.4Å; C454-C460 WeakPolarHBondContact SG-CA 3.49Å; C454-C460 WeakPolarHBondContact SG-CB 3.44Å; C454-C460 CovalentContact SG-SG 2.04Å; C454-C460 PolarHBondContact SG-SG 3.38Å; C454-C463 PolarHBondContact N-O 3.49Å; C454-C463 VanDerWaalsContact N-O 3.15Å; C454-C463 WeakPolarHBondContact O-CA 3.5Å; C454-C463 VanDerWaalsContact SG-C 3.54Å; C454-Q464 PolarHBondContact SG-O 3.34Å; C454-F465 HydrophobicContact CB-CD1 3.78Å; C454-F465 HydrophobicContact CB-CE1 3.59Å; C454-F465 HydrophobicContact CB-CZ 4.5Å
455	A	87.1	Confident	90.4	Very high	13 Å²	13	61.3 Å²	61.3	11%	0.107	31%	0.311	C	S	.	.	S	Bend	trans	-123.2	-34.6	170.5	0	0	0	0	0	113.7	C428 N438 C440 C441 L448	C428-A455 HydrophobicContact CB-CB 3.48Å; C428-A455 VanDerWaalsContact CB-CB 3.48Å; N438-A455 PolarHBondContact ND2-O 3.07Å; C440-A455 HydrophobicContact CB-CB 3.86Å; C441-A455 HydrophobicContact CB-CB 4.07Å; L448-A455 HydrophobicContact CD2-CB 3.79Å
456	H	79.2	Confident	90.5	Very high	55 Å²	55	60.4 Å²	60.4	26%	0.255	30%	0.301	S	S	.	.	S	Bend	trans	-124.3	162.5	-169.8	-59.2	113.1	0	0	0	113.1	D429 N438 C460 G490 F491	D429-H456 PolarHBondContact O-CE1 2.65Å; N438-H456 PolarHBondContact ND2-CD2 3.2Å; N438-H456 VanDerWaalsContact ND2-CD2 3.26Å; N438-H456 PolarHBondContact ND2-NE2 2.96Å; H456-C460 WeakPolarHBondContact O-CB 3.33Å; H456-G490 CarbonylContact O-C 3.56Å; H456-G490 VanDerWaalsContact O-C 3.3Å; H456-G490 WeakPolarHBondContact O-CA 3.32Å; H456-F491 HydrophobicContact CB-CE1 4.36Å; H456-F491 HydrophobicContact CB-CZ 4.07Å
457	G	78	Confident	90.6	Very high	14 Å²	14	64.5 Å²	64.5	14%	0.144	33%	0.326	C	S	.	.	S	Bend	trans	90.8	162.3	175.5	0	0	0	0	0	115.7	C459 C460 G490	G457-C459 PolarHBondContact O-N 3.12Å; G457-C460 WeakPolarHBondContact O-CB 3.38Å; G457-C460 PolarHBondContact O-N 3.37Å; G457-C460 VanDerWaalsContact O-N 3.08Å; G457-G490 CarbonylContact C-O 3.51Å; G457-G490 WeakPolarHBondContact CA-O 3.45Å
458	Y	82.2	Confident	90.6	Very high	102 Å²	102	62.4 Å²	62.4	40%	0.4	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-16.6	-174.7	-68	-86	0	0	0	114.6	Q208 K466 G490	Q208-Y458 PolarHBondContact OE1-OH 3.05Å; Y458-K466 WeakPolarHBondContact O-CE 3.37Å; Y458-K466 PolarHBondContact O-NZ 2.83Å; Y458-G490 PolarHBondContact N-O 3.42Å
459	C	90	Very high	90.4	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	7.8	174.1	-69.1	0	0	0	0	113.5	G457 F465 K466 C472 C485 S489 G490	G457-C459 PolarHBondContact O-N 3.12Å; C459-F465 WeakPolarHBondContact O-CA 3.45Å; C459-K466 PolarHBondContact O-N 3.47Å; C459-C472 VanDerWaalsContact SG-CB 3.51Å; C459-C485 WeakPolarHBondContact CA-SG 3.34Å; C459-C485 HydrophobicContact CB-CB 3.79Å; C459-C485 WeakPolarHBondContact CB-SG 3.31Å; C459-C485 WeakPolarHBondContact SG-CA 3.46Å; C459-C485 WeakPolarHBondContact SG-CB 3.41Å; C459-C485 CovalentContact SG-SG 2.03Å; C459-C485 PolarHBondContact SG-SG 3.1Å; C459-S489 VanDerWaalsContact CB-O 3.28Å; C459-S489 WeakPolarHBondContact CB-O 3.22Å; C459-G490 CarbonylContact C-O 3.49Å; C459-G490 VanDerWaalsContact C-O 3.29Å; C459-G490 WeakPolarHBondContact CA-O 3.47Å; C459-G490 VanDerWaalsContact CB-O 3.3Å; C459-G490 WeakPolarHBondContact CB-O 3.41Å; C459-G490 PolarHBondContact N-O 2.82Å
460	C	90.8	Very high	90.3	Very high	22 Å²	22	60.4 Å²	60.4	15%	0.149	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	133.7	167.3	-163.6	0	0	0	0	110.8	C454 H456 G457 G490	C454-C460 HydrophobicContact CB-CB 3.88Å; C454-C460 WeakPolarHBondContact CB-SG 3.38Å; C454-C460 PolarHBondContact O-SG 2.75Å; C454-C460 VanDerWaalsContact O-SG 3.4Å; C454-C460 WeakPolarHBondContact SG-CA 3.49Å; C454-C460 WeakPolarHBondContact SG-CB 3.44Å; C454-C460 CovalentContact SG-SG 2.04Å; C454-C460 PolarHBondContact SG-SG 3.38Å; H456-C460 WeakPolarHBondContact O-CB 3.33Å; G457-C460 WeakPolarHBondContact O-CB 3.38Å; G457-C460 PolarHBondContact O-N 3.37Å; G457-C460 VanDerWaalsContact O-N 3.08Å; C460-G490 PolarHBondContact N-O 3.27Å
461	E	92.3	Very high	90.2	Very high	102 Å²	102	52.2 Å²	52.2	48%	0.477	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	126.5	172.3	179.5	170.9	-179.6	0	0	110.2	C463 Q464 K466	E461-C463 PolarHBondContact O-N 2.85Å; E461-Q464 PolarHBondContact N-O 2.85Å; E461-Q464 PolarHBondContact O-N 3.23Å; E461-K466 HydrophobicContact CB-CD 4.4Å; E461-K466 HydrophobicContact CB-CG 3.86Å; E461-K466 WeakPolarHBondContact OE2-CE 3.41Å
462	K	92.6	Very high	90.1	Very high	176 Å²	176	50.4 Å²	50.4	77%	0.765	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	44.3	-178	-59.8	171.3	-173.9	169.5	0	111.7	Q464	K462-Q464 PolarHBondContact O-N 2.9Å; K462-Q464 VanDerWaalsContact O-N 3.17Å
463	C	94	Very high	89.6	Confident	20 Å²	20	50.9 Å²	50.9	14%	0.135	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	13.2	-178.1	-39.2	0	0	0	0	115.9	C440 S452 S453 C454 E461	C440-C463 WeakPolarHBondContact CA-SG 3.22Å; C440-C463 HydrophobicContact CB-CB 3.57Å; C440-C463 WeakPolarHBondContact CB-SG 3.34Å; C440-C463 WeakPolarHBondContact SG-CA 3.27Å; C440-C463 WeakPolarHBondContact SG-CB 3.22Å; C440-C463 PolarHBondContact SG-N 3.18Å; C440-C463 VanDerWaalsContact SG-N 3.44Å; C440-C463 CovalentContact SG-SG 2.03Å; C440-C463 PolarHBondContact SG-SG 2.91Å; S452-C463 CarbonylContact C-O 3.58Å; S452-C463 WeakPolarHBondContact CA-O 3.1Å; S452-C463 WeakPolarHBondContact OG-CB 3.45Å; S453-C463 PolarHBondContact N-O 3.2Å; C454-C463 PolarHBondContact N-O 3.49Å; C454-C463 VanDerWaalsContact N-O 3.15Å; C454-C463 WeakPolarHBondContact O-CA 3.5Å; C454-C463 VanDerWaalsContact SG-C 3.54Å; E461-C463 PolarHBondContact O-N 2.85Å
464	Q	95	Very high	89.2	Confident	83 Å²	83	56.1 Å²	56.1	39%	0.388	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	150.5	174.7	-55.8	-52.2	-40.9	0	0	111.7	G451 S453 C454 E461 K462 K466	G451-Q464 PolarHBondContact O-NE2 3.29Å; S453-Q464 PolarHBondContact OG-OE1 2.97Å; C454-Q464 PolarHBondContact SG-O 3.34Å; E461-Q464 PolarHBondContact N-O 2.85Å; E461-Q464 PolarHBondContact O-N 3.23Å; K462-Q464 PolarHBondContact O-N 2.9Å; K462-Q464 VanDerWaalsContact O-N 3.17Å; Q464-K466 PolarHBondContact O-N 3.17Å
465	F	93.1	Very high	89	Confident	72 Å²	72	58 Å²	58	32%	0.316	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	130.2	168	-58.3	-49.9	0	0	0	109.6	S453 C454 C459 K488 S489 G490	S453-F465 WeakPolarHBondContact O-CE1 3.42Å; S453-F465 WeakPolarHBondContact O-CZ 3.3Å; C454-F465 HydrophobicContact CB-CD1 3.78Å; C454-F465 HydrophobicContact CB-CE1 3.59Å; C454-F465 HydrophobicContact CB-CZ 4.5Å; C459-F465 WeakPolarHBondContact O-CA 3.45Å; F465-K488 WeakPolarHBondContact CZ-O 3.47Å; F465-S489 WeakPolarHBondContact CD1-O 3.38Å; F465-G490 VanDerWaalsContact CE1-N 3.26Å
466	K	92.3	Very high	88.6	Confident	53 Å²	53	61.8 Å²	61.8	23%	0.23	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-60.5	141.8	168.7	-70.9	-175.5	-177.7	169	0	109.3	Y458 C459 E461 Q464 T470 C485 G487	Y458-K466 WeakPolarHBondContact O-CE 3.37Å; Y458-K466 PolarHBondContact O-NZ 2.83Å; C459-K466 PolarHBondContact O-N 3.47Å; E461-K466 HydrophobicContact CB-CD 4.4Å; E461-K466 HydrophobicContact CB-CG 3.86Å; E461-K466 WeakPolarHBondContact OE2-CE 3.41Å; Q464-K466 PolarHBondContact O-N 3.17Å; K466-T470 HydrophobicContact CB-CG2 4.28Å; K466-T470 HydrophobicContact CD-CG2 3.92Å; K466-C485 HydrophobicContact CB-CB 4.3Å; K466-G487 WeakPolarHBondContact O-CA 3.48Å
467	V	91.3	Very high	88.8	Confident	85 Å²	85	61 Å²	61	52%	0.515	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-56.8	143.6	-177.3	-64.2	0	0	0	0	111.2	G469 T470 I690	V467-G469 PolarHBondContact O-N 2.92Å; V467-T470 VanDerWaalsContact CG2-OG1 3.25Å; V467-T470 WeakPolarHBondContact CG2-OG1 3.17Å; V467-T470 WeakPolarHBondContact O-CB 3.4Å; V467-T470 PolarHBondContact O-N 2.83Å; V467-T470 PolarHBondContact O-OG1 3.38Å; V467-I690 HydrophobicContact CB-CG2 4.42Å; V467-I690 HydrophobicContact CG2-CD1 3.88Å; V467-I690 HydrophobicContact CG2-CG1 4.05Å; V467-I690 HydrophobicContact CG2-CG2 3.7Å
468	A	91.8	Very high	89.4	Confident	30 Å²	30	65.2 Å²	65.2	25%	0.248	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	132.4	178	0	0	0	0	0	110.1	C485 P687 I690	A468-C485 CarbonylContact C-O 3.55Å; A468-C485 WeakPolarHBondContact CA-O 3.16Å; A468-P687 HydrophobicContact CB-CG 4.28Å; A468-I690 WeakPolarHBondContact O-CA 3.45Å
469	G	91	Very high	89.8	Confident	6 Å²	6	60.3 Å²	60.3	6%	0.062	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	3.9	-172.4	0	0	0	0	0	115.8	V467 Q471 C485 P687 I690	V467-G469 PolarHBondContact O-N 2.92Å; G469-Q471 PolarHBondContact O-N 3.36Å; G469-C485 PolarHBondContact N-O 3.08Å; G469-P687 WeakPolarHBondContact CA-O 3.41Å; G469-I690 WeakPolarHBondContact O-CG1 3.49Å
470	T	92	Very high	89.8	Confident	34 Å²	34	60.8 Å²	60.8	21%	0.209	31%	0.313	C	S	.	.			trans	-75.9	118.4	167.2	-51.1	0	0	0	0	109.5	K466 V467 C472 Y484 C485	K466-T470 HydrophobicContact CB-CG2 4.28Å; K466-T470 HydrophobicContact CD-CG2 3.92Å; V467-T470 VanDerWaalsContact CG2-OG1 3.25Å; V467-T470 WeakPolarHBondContact CG2-OG1 3.17Å; V467-T470 WeakPolarHBondContact O-CB 3.4Å; V467-T470 PolarHBondContact O-N 2.83Å; V467-T470 PolarHBondContact O-OG1 3.38Å; T470-C472 PolarHBondContact O-N 2.95Å; T470-Y484 WeakPolarHBondContact O-CA 3.24Å; T470-C485 PolarHBondContact O-N 2.92Å; T470-C485 PolarHBondContact O-SG 2.88Å
471	Q	91.5	Very high	89.8	Confident	89 Å²	89	60 Å²	60	42%	0.416	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	126.5	177.8	-171.1	174.6	9.7	0	0	111.3	G469 R473 Y484	G469-Q471 PolarHBondContact O-N 3.36Å; Q471-R473 WeakPolarHBondContact CG-O 2.94Å; Q471-R473 PolarHBondContact NE2-O 2.93Å; Q471-Y484 HydrophobicContact CB-CD1 3.87Å; Q471-Y484 HydrophobicContact CB-CE1 3.85Å; Q471-Y484 HydrophobicContact CG-CD1 4.35Å; Q471-Y484 HydrophobicContact CG-CE1 4.11Å
472	C	87.9	Confident	89.8	Confident	23 Å²	23	56.3 Å²	56.3	16%	0.155	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	-30.2	-178.1	53.4	0	0	0	0	113.9	C459 T470 E483 C492	C459-C472 VanDerWaalsContact SG-CB 3.51Å; T470-C472 PolarHBondContact O-N 2.95Å; C472-E483 PolarHBondContact N-O 3.43Å; C472-E483 PolarHBondContact SG-O 3.13Å; C472-C492 HydrophobicContact CB-CB 3.73Å; C472-C492 WeakPolarHBondContact CB-SG 3.21Å; C472-C492 WeakPolarHBondContact SG-CA 3.48Å; C472-C492 WeakPolarHBondContact SG-CB 2.9Å; C472-C492 CovalentContact SG-SG 2.04Å; C472-C492 PolarHBondContact SG-SG 3.48Å
473	R	86.5	Confident	89.7	Confident	31 Å²	31	48 Å²	48	12%	0.117	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	148.1	165.8	-171.5	-176.7	74.2	100.5	10.9	109.5	Q471 D480 L481 E483 D495 F496	Q471-R473 WeakPolarHBondContact CG-O 2.94Å; Q471-R473 PolarHBondContact NE2-O 2.93Å; R473-D480 IonicContact CZ-OD1 3.75Å; R473-D480 IonicContact CZ-OD2 3.88Å; R473-D480 VanDerWaalsContact NH1-CG 3.34Å; R473-D480 IonicContact NH1-OD1 3.79Å; R473-D480 PolarHBondContact NH1-OD1 3.48Å; R473-D480 VanDerWaalsContact NH1-OD1 3.1Å; R473-D480 IonicContact NH1-OD2 2.78Å; R473-D480 PolarHBondContact NH1-OD2 2.75Å; R473-D480 IonicContact NH2-OD1 2.67Å; R473-D480 PolarHBondContact NH2-OD1 2.83Å; R473-D480 IonicContact NH2-OD2 3.33Å; R473-L481 PolarHBondContact NH2-O 2.83Å; R473-E483 HydrophobicContact CB-CB 4.45Å; R473-E483 WeakPolarHBondContact CB-OE2 3.43Å; R473-E483 IonicContact CZ-OE1 2.76Å; R473-E483 IonicContact CZ-OE2 2.73Å; R473-E483 PolarHBondContact N-O 2.83Å; R473-E483 IonicContact NE-OE1 3.08Å; R473-E483 IonicContact NE-OE2 3.12Å; R473-E483 PolarHBondContact NE-OE2 2.85Å; R473-E483 VanDerWaalsContact NH2-CD 3.28Å; R473-E483 IonicContact NH2-OE1 3.16Å; R473-E483 PolarHBondContact NH2-OE1 3.38Å; R473-E483 IonicContact NH2-OE2 3.1Å; R473-E483 PolarHBondContact NH2-OE2 2.78Å; R473-D495 IonicContact CZ-OD1 2.81Å; R473-D495 IonicContact CZ-OD2 2.83Å; R473-D495 IonicContact NE-OD1 3.54Å; R473-D495 IonicContact NE-OD2 2.6Å; R473-D495 PolarHBondContact NE-OD2 2.74Å; R473-D495 IonicContact NH1-OD1 2.83Å; R473-D495 PolarHBondContact NH1-OD1 3.37Å; R473-D495 VanDerWaalsContact NH1-OD1 3.16Å; R473-D495 IonicContact NH1-OD2 3.53Å; R473-D495 PolarHBondContact NH1-OD2 3.11Å; R473-D495 IonicContact NH2-OD1 3.64Å; R473-D495 PolarHBondContact NH2-OD1 3.01Å; R473-D495 IonicContact NH2-OD2 2.92Å; R473-F496 PolarHBondContact NH2-O 2.82Å
474	K	85.1	Confident	89.6	Confident	160 Å²	160	48.3 Å²	48.3	70%	0.696	26%	0.255	S	S	*	.			trans	-102.5	131.3	173.7	-65.9	-176.4	178.6	-175.9	0	108.2	L476	K474-L476 PolarHBondContact O-N 2.88Å
475	S	86.2	Confident	89.4	Confident	49 Å²	49	44.4 Å²	44.4	34%	0.343	24%	0.236	S	C	.	.			trans	-45.9	129.2	162	156.3	0	0	0	0	110.1	D477 D480 L481	S475-D477 PolarHBondContact OG-O 2.94Å; S475-D480 WeakPolarHBondContact CA-OD2 3.46Å; S475-D480 WeakPolarHBondContact CB-O 3.16Å; S475-D480 PolarHBondContact OG-O 3.41Å; S475-L481 WeakPolarHBondContact CA-O 3.47Å
476	L	78.3	Confident	89.3	Confident	91 Å²	91	44.2 Å²	44.2	48%	0.476	24%	0.239	S	C	.	.	S	Bend	trans	-79.9	-39.6	-180	-65.2	176	0	0	0	112.2	K474 D480	K474-L476 PolarHBondContact O-N 2.88Å; L476-D480 HydrophobicContact CB-CB 4.37Å; L476-D480 WeakPolarHBondContact CB-OD2 3.08Å; L476-D480 WeakPolarHBondContact CG-OD2 3.04Å; L476-D480 PolarHBondContact N-OD2 3.5Å
477	D	83.3	Confident	89.2	Confident	40 Å²	40	43 Å²	43	21%	0.214	24%	0.241	C	C	.	.	S	Bend	trans	-149.2	-174.8	174.4	82.9	17.4	0	0	0	112.7	S475 C479 D480 R515 C516	S475-D477 PolarHBondContact OG-O 2.94Å; D477-C479 PolarHBondContact O-N 2.83Å; D477-C479 WeakPolarHBondContact OD1-CA 3.06Å; D477-C479 WeakPolarHBondContact OD1-CB 3.39Å; D477-C479 PolarHBondContact OD1-N 3.37Å; D477-D480 PolarHBondContact O-N 2.96Å; D477-R515 WeakPolarHBondContact OD2-CA 3.39Å; D477-C516 PolarHBondContact OD2-N 3.13Å
478	V	90.1	Very high	89.1	Confident	101 Å²	101	47.2 Å²	47.2	61%	0.612	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-11	-176.5	-60.6	0	0	0	0	115.4	I498 C504 C516	V478-I498 VanDerWaalsContact O-CD1 3.25Å; V478-I498 WeakPolarHBondContact O-CD1 3.38Å; V478-C504 HydrophobicContact CG2-CB 3.93Å; V478-C516 HydrophobicContact CG2-CB 3.86Å
479	C	91.5	Very high	88.8	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-1.9	177.1	-66.1	0	0	0	0	113	D477 I498 C511 C516	D477-C479 PolarHBondContact O-N 2.83Å; D477-C479 WeakPolarHBondContact OD1-CA 3.06Å; D477-C479 WeakPolarHBondContact OD1-CB 3.39Å; D477-C479 PolarHBondContact OD1-N 3.37Å; C479-I498 WeakPolarHBondContact O-CB 2.96Å; C479-I498 PolarHBondContact O-N 2.8Å; C479-C511 HydrophobicContact CB-CB 3.6Å; C479-C511 WeakPolarHBondContact CB-SG 3.25Å; C479-C511 WeakPolarHBondContact SG-CA 3.4Å; C479-C511 WeakPolarHBondContact SG-CB 3.42Å; C479-C511 CovalentContact SG-SG 2.04Å; C479-C511 PolarHBondContact SG-SG 3.32Å; C479-C516 VanDerWaalsContact SG-CA 3.56Å
480	D	89.8	Confident	88.5	Confident	9 Å²	9	47.6 Å²	47.6	5%	0.048	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-104.2	142	178	-171.6	17.7	0	0	0	110.3	R473 S475 L476 D477	R473-D480 IonicContact CZ-OD1 3.75Å; R473-D480 IonicContact CZ-OD2 3.88Å; R473-D480 VanDerWaalsContact NH1-CG 3.34Å; R473-D480 IonicContact NH1-OD1 3.79Å; R473-D480 PolarHBondContact NH1-OD1 3.48Å; R473-D480 VanDerWaalsContact NH1-OD1 3.1Å; R473-D480 IonicContact NH1-OD2 2.78Å; R473-D480 PolarHBondContact NH1-OD2 2.75Å; R473-D480 IonicContact NH2-OD1 2.67Å; R473-D480 PolarHBondContact NH2-OD1 2.83Å; R473-D480 IonicContact NH2-OD2 3.33Å; S475-D480 WeakPolarHBondContact CA-OD2 3.46Å; S475-D480 WeakPolarHBondContact CB-O 3.16Å; S475-D480 PolarHBondContact OG-O 3.41Å; L476-D480 HydrophobicContact CB-CB 4.37Å; L476-D480 WeakPolarHBondContact CB-OD2 3.08Å; L476-D480 WeakPolarHBondContact CG-OD2 3.04Å; L476-D480 PolarHBondContact N-OD2 3.5Å; D477-D480 PolarHBondContact O-N 2.96Å
481	L	91.2	Very high	88.1	Confident	7 Å²	7	49.8 Å²	49.8	4%	0.037	26%	0.26	C	S	.	.			trans	-93.3	163.4	179.8	-61.9	169.4	0	0	0	111.5	R473 S475 F496 I498 V656 N658 H664	R473-L481 PolarHBondContact NH2-O 2.83Å; S475-L481 WeakPolarHBondContact CA-O 3.47Å; L481-F496 WeakPolarHBondContact CB-O 3.27Å; L481-F496 HydrophobicContact CD1-CB 4.34Å; L481-F496 PolarHBondContact N-O 3.16Å; L481-I498 HydrophobicContact CD2-CD1 4.33Å; L481-I498 HydrophobicContact CD2-CG1 3.7Å; L481-I498 HydrophobicContact CG-CG1 4.08Å; L481-V656 HydrophobicContact CD2-CG2 3.86Å; L481-N658 HydrophobicContact CD1-CB 3.59Å; L481-H664 HydrophobicContact CD1-CB 4.01Å; L481-H664 HydrophobicContact CD2-CB 4.12Å
482	P	90.9	Very high	87.7	Confident	23 Å²	23	47.1 Å²	47.1	15%	0.149	25%	0.251	C	S	.	.			trans	-98.4	139.1	168.8	32.6	-30.4	0	0	0	112.3	Y484 H664	P482-Y484 HydrophobicContact CB-CE2 4.02Å; P482-Y484 HydrophobicContact CG-CE2 3.84Å; P482-Y484 VanDerWaalsContact CG-OH 3.3Å; P482-Y484 WeakPolarHBondContact CG-OH 3.41Å; P482-Y484 WeakPolarHBondContact O-CD2 3.18Å; P482-Y484 WeakPolarHBondContact O-CE2 3.41Å; P482-H664 PolarHBondContact O-CE1 3.07Å
483	E	90.3	Very high	87.6	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	145.5	176.1	-64.9	65.7	-152.2	0	0	112	C472 R473 P493 Q494 F496	C472-E483 PolarHBondContact N-O 3.43Å; C472-E483 PolarHBondContact SG-O 3.13Å; R473-E483 HydrophobicContact CB-CB 4.45Å; R473-E483 WeakPolarHBondContact CB-OE2 3.43Å; R473-E483 IonicContact CZ-OE1 2.76Å; R473-E483 IonicContact CZ-OE2 2.73Å; R473-E483 PolarHBondContact N-O 2.83Å; R473-E483 IonicContact NE-OE1 3.08Å; R473-E483 IonicContact NE-OE2 3.12Å; R473-E483 PolarHBondContact NE-OE2 2.85Å; R473-E483 VanDerWaalsContact NH2-CD 3.28Å; R473-E483 IonicContact NH2-OE1 3.16Å; R473-E483 PolarHBondContact NH2-OE1 3.38Å; R473-E483 IonicContact NH2-OE2 3.1Å; R473-E483 PolarHBondContact NH2-OE2 2.78Å; E483-P493 HydrophobicContact CB-CB 4.34Å; E483-P493 HydrophobicContact CB-CG 4.39Å; E483-P493 HydrophobicContact CG-CB 4.22Å; E483-Q494 VanDerWaalsContact CG-O 3.31Å; E483-Q494 WeakPolarHBondContact CG-O 3.49Å; E483-F496 PolarHBondContact OE1-N 3.16Å; E483-F496 VanDerWaalsContact OE1-N 3.12Å
484	Y	91.9	Very high	87.2	Confident	28 Å²	28	48.8 Å²	48.8	11%	0.11	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	139.3	-173.3	-56	-90.8	0	0	0	110.2	T470 Q471 P482 N486 P493 S685 P687 A688	T470-Y484 WeakPolarHBondContact O-CA 3.24Å; Q471-Y484 HydrophobicContact CB-CD1 3.87Å; Q471-Y484 HydrophobicContact CB-CE1 3.85Å; Q471-Y484 HydrophobicContact CG-CD1 4.35Å; Q471-Y484 HydrophobicContact CG-CE1 4.11Å; P482-Y484 HydrophobicContact CB-CE2 4.02Å; P482-Y484 HydrophobicContact CG-CE2 3.84Å; P482-Y484 VanDerWaalsContact CG-OH 3.3Å; P482-Y484 WeakPolarHBondContact CG-OH 3.41Å; P482-Y484 WeakPolarHBondContact O-CD2 3.18Å; P482-Y484 WeakPolarHBondContact O-CE2 3.41Å; Y484-N486 PolarHBondContact O-N 2.91Å; Y484-P493 WeakPolarHBondContact O-CD 3.29Å; Y484-P493 VanDerWaalsContact O-CG 3.3Å; Y484-P493 WeakPolarHBondContact O-CG 3.47Å; Y484-S685 PolarHBondContact N-O 3.42Å; Y484-P687 WeakPolarHBondContact CB-O 3.19Å; Y484-A688 HydrophobicContact CD2-CB 4.19Å; Y484-A688 HydrophobicContact CE1-CB 4.2Å; Y484-A688 WeakPolarHBondContact CE1-O 3.3Å; Y484-A688 HydrophobicContact CE2-CB 3.64Å
485	C	91.9	Very high	86.9	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.238	C	C	.	.			trans	-54.4	134.7	171.7	-59.2	0	0	0	0	110	C459 K466 A468 G469 T470 G487	C459-C485 WeakPolarHBondContact CA-SG 3.34Å; C459-C485 HydrophobicContact CB-CB 3.79Å; C459-C485 WeakPolarHBondContact CB-SG 3.31Å; C459-C485 WeakPolarHBondContact SG-CA 3.46Å; C459-C485 WeakPolarHBondContact SG-CB 3.41Å; C459-C485 CovalentContact SG-SG 2.03Å; C459-C485 PolarHBondContact SG-SG 3.1Å; K466-C485 HydrophobicContact CB-CB 4.3Å; A468-C485 CarbonylContact C-O 3.55Å; A468-C485 WeakPolarHBondContact CA-O 3.16Å; G469-C485 PolarHBondContact N-O 3.08Å; T470-C485 PolarHBondContact O-N 2.92Å; T470-C485 PolarHBondContact O-SG 2.88Å; C485-G487 VanDerWaalsContact C-N 3.28Å
486	N	89.8	Confident	86.9	Confident	69 Å²	69	41.2 Å²	41.2	37%	0.369	22%	0.223	S	C	.	.			trans	-83.3	-3.6	177	64.7	11.8	0	0	0	113.2	Y484 K488 S489	Y484-N486 PolarHBondContact O-N 2.91Å; N486-K488 VanDerWaalsContact C-N 3.28Å; N486-K488 PolarHBondContact O-N 3.42Å; N486-K488 PolarHBondContact OD1-N 2.99Å; N486-S489 PolarHBondContact OD1-N 2.04Å
487	G	90.1	Very high	87.4	Confident	28 Å²	28	38.3 Å²	38.3	29%	0.289	21%	0.206	S	C	.	.	S	Bend	trans	74.4	9.9	-177	0	0	0	0	0	115.3	K466 C485	K466-G487 WeakPolarHBondContact O-CA 3.48Å; C485-G487 VanDerWaalsContact C-N 3.28Å
488	K	89.2	Confident	87.8	Confident	172 Å²	172	37.5 Å²	37.5	75%	0.748	20%	0.201	S	C	*	.	S	Bend	trans	-130.3	-9.8	-175.5	-60	-177.7	-178.8	-179.2	0	114.2	F465 N486	F465-K488 WeakPolarHBondContact CZ-O 3.47Å; N486-K488 VanDerWaalsContact C-N 3.28Å; N486-K488 PolarHBondContact O-N 3.42Å; N486-K488 PolarHBondContact OD1-N 2.99Å
489	S	86.3	Confident	87.9	Confident	40 Å²	40	33.1 Å²	33.1	28%	0.28	18%	0.175	S	C	.	.			trans	-131.1	148.7	-180	-177.2	0	0	0	0	110.9	C459 F465 N486 F491	C459-S489 VanDerWaalsContact CB-O 3.28Å; C459-S489 WeakPolarHBondContact CB-O 3.22Å; F465-S489 WeakPolarHBondContact CD1-O 3.38Å; N486-S489 PolarHBondContact OD1-N 2.04Å; S489-F491 VanDerWaalsContact C-N 3.28Å; S489-F491 PolarHBondContact OG-N 3.47Å; S489-F491 VanDerWaalsContact OG-N 3.13Å
490	G	85.6	Confident	87.9	Confident	5 Å²	5	33.7 Å²	33.7	5%	0.052	18%	0.178	C	C	.	.	S	Bend	trans	-76	-19.3	170.6	0	0	0	0	0	112.3	H456 G457 Y458 C459 C460 F465	H456-G490 CarbonylContact O-C 3.56Å; H456-G490 VanDerWaalsContact O-C 3.3Å; H456-G490 WeakPolarHBondContact O-CA 3.32Å; G457-G490 CarbonylContact C-O 3.51Å; G457-G490 WeakPolarHBondContact CA-O 3.45Å; Y458-G490 PolarHBondContact N-O 3.42Å; C459-G490 CarbonylContact C-O 3.49Å; C459-G490 VanDerWaalsContact C-O 3.29Å; C459-G490 WeakPolarHBondContact CA-O 3.47Å; C459-G490 VanDerWaalsContact CB-O 3.3Å; C459-G490 WeakPolarHBondContact CB-O 3.41Å; C459-G490 PolarHBondContact N-O 2.82Å; C460-G490 PolarHBondContact N-O 3.27Å; F465-G490 VanDerWaalsContact CE1-N 3.26Å
491	F	82.6	Confident	88	Confident	79 Å²	79	34.3 Å²	34.3	35%	0.346	19%	0.186	S	C	.	.	S	Bend	trans	-91.8	150.7	178.2	-59.5	-83.9	0	0	0	111.7	H456 S489	H456-F491 HydrophobicContact CB-CE1 4.36Å; H456-F491 HydrophobicContact CB-CZ 4.07Å; S489-F491 VanDerWaalsContact C-N 3.28Å; S489-F491 PolarHBondContact OG-N 3.47Å; S489-F491 VanDerWaalsContact OG-N 3.13Å
492	C	83.3	Confident	88	Confident	33 Å²	33	37 Å²	37	22%	0.223	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-70.2	152.2	169.1	-161.9	0	0	0	0	108.8	C472	C472-C492 HydrophobicContact CB-CB 3.73Å; C472-C492 WeakPolarHBondContact CB-SG 3.21Å; C472-C492 WeakPolarHBondContact SG-CA 3.48Å; C472-C492 WeakPolarHBondContact SG-CB 2.9Å; C472-C492 CovalentContact SG-SG 2.04Å; C472-C492 PolarHBondContact SG-SG 3.48Å
493	P	85	Confident	88	Confident	28 Å²	28	39.1 Å²	39.1	18%	0.182	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-53.7	165	164.4	-24.8	35.2	0	0	0	112.4	E483 Y484	E483-P493 HydrophobicContact CB-CB 4.34Å; E483-P493 HydrophobicContact CB-CG 4.39Å; E483-P493 HydrophobicContact CG-CB 4.22Å; Y484-P493 WeakPolarHBondContact O-CD 3.29Å; Y484-P493 VanDerWaalsContact O-CG 3.3Å; Y484-P493 WeakPolarHBondContact O-CG 3.47Å
494	Q	78.4	Confident	88.2	Confident	62 Å²	62	39.5 Å²	39.5	29%	0.29	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-61.2	154.2	172.6	-73.6	178.4	-34.9	0	0	111	R295 E483 F496	R295-Q494 VanDerWaalsContact CZ-CD 3.46Å; E483-Q494 VanDerWaalsContact CG-O 3.31Å; E483-Q494 WeakPolarHBondContact CG-O 3.49Å; Q494-F496 HydrophobicContact CB-CE2 3.89Å; Q494-F496 HydrophobicContact CB-CZ 3.9Å; Q494-F496 WeakPolarHBondContact O-CD2 3.48Å; Q494-F496 VanDerWaalsContact O-CE2 3.24Å; Q494-F496 WeakPolarHBondContact O-CE2 3.15Å; Q494-F496 PolarHBondContact O-N 2.63Å
495	D	78.4	Confident	88.1	Confident	41 Å²	41	45 Å²	45	22%	0.219	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-66.3	124.7	173.8	-167.4	-35.9	0	0	0	109.5	V400 R473	V400-D495 HydrophobicContact CB-CB 4.39Å; V400-D495 VanDerWaalsContact CB-OD2 3.27Å; V400-D495 WeakPolarHBondContact CB-OD2 3.15Å; V400-D495 HydrophobicContact CG1-CB 3.99Å; V400-D495 WeakPolarHBondContact CG1-OD2 3.46Å; R473-D495 IonicContact CZ-OD1 2.81Å; R473-D495 IonicContact CZ-OD2 2.83Å; R473-D495 IonicContact NE-OD1 3.54Å; R473-D495 IonicContact NE-OD2 2.6Å; R473-D495 PolarHBondContact NE-OD2 2.74Å; R473-D495 IonicContact NH1-OD1 2.83Å; R473-D495 PolarHBondContact NH1-OD1 3.37Å; R473-D495 VanDerWaalsContact NH1-OD1 3.16Å; R473-D495 IonicContact NH1-OD2 3.53Å; R473-D495 PolarHBondContact NH1-OD2 3.11Å; R473-D495 IonicContact NH2-OD1 3.64Å; R473-D495 PolarHBondContact NH2-OD1 3.01Å; R473-D495 IonicContact NH2-OD2 2.92Å
496	F	87.2	Confident	87.9	Confident	8 Å²	8	52.7 Å²	52.7	4%	0.035	28%	0.282	C	S	.	.			trans	-127.3	152.9	175.1	-64.8	-72.6	0	0	0	109.8	R473 L481 E483 Q494 D659 Q660 D684	R473-F496 PolarHBondContact NH2-O 2.82Å; L481-F496 WeakPolarHBondContact CB-O 3.27Å; L481-F496 HydrophobicContact CD1-CB 4.34Å; L481-F496 PolarHBondContact N-O 3.16Å; E483-F496 PolarHBondContact OE1-N 3.16Å; E483-F496 VanDerWaalsContact OE1-N 3.12Å; Q494-F496 HydrophobicContact CB-CE2 3.89Å; Q494-F496 HydrophobicContact CB-CZ 3.9Å; Q494-F496 WeakPolarHBondContact O-CD2 3.48Å; Q494-F496 VanDerWaalsContact O-CE2 3.24Å; Q494-F496 WeakPolarHBondContact O-CE2 3.15Å; Q494-F496 PolarHBondContact O-N 2.63Å; F496-D659 WeakPolarHBondContact CA-OD1 3.49Å; F496-D659 WeakPolarHBondContact CB-OD1 3.2Å; F496-D659 WeakPolarHBondContact CD1-OD1 3.38Å; F496-Q660 HydrophobicContact CD1-CG 4.14Å; F496-Q660 VanDerWaalsContact CE1-CD 3.49Å; F496-Q660 HydrophobicContact CE1-CG 3.92Å; F496-D684 HydrophobicContact CD1-CB 4.41Å; F496-D684 HydrophobicContact CD2-CB 3.82Å; F496-D684 HydrophobicContact CE1-CB 4.06Å; F496-D684 HydrophobicContact CE2-CB 3.4Å; F496-D684 VanDerWaalsContact CE2-CB 3.4Å; F496-D684 HydrophobicContact CG-CB 4.31Å; F496-D684 HydrophobicContact CZ-CB 3.54Å
497	Y	88.9	Confident	87.7	Confident	30 Å²	30	55.1 Å²	55.1	12%	0.118	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-141.2	167.1	-173.6	60.9	-93.7	0	0	0	112.9	N658 D659	Y497-N658 CarbonylContact O-C 3.31Å; Y497-N658 WeakPolarHBondContact O-CA 3.42Å; Y497-N658 WeakPolarHBondContact O-CB 3.28Å; Y497-D659 HydrophobicContact CD1-CB 4Å; Y497-D659 HydrophobicContact CD2-CB 3.91Å; Y497-D659 HydrophobicContact CE1-CB 3.71Å; Y497-D659 HydrophobicContact CE2-CB 3.63Å; Y497-D659 HydrophobicContact CG-CB 4.09Å; Y497-D659 PolarHBondContact N-OD1 3.13Å; Y497-D659 PolarHBondContact O-N 3.08Å
498	I	92.1	Very high	87.7	Confident	23 Å²	23	56.9 Å²	56.9	12%	0.118	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-69.8	132.9	179	-62.3	-169.8	0	0	0	109.6	V478 C479 L481 D500 L502 V656	V478-I498 VanDerWaalsContact O-CD1 3.25Å; V478-I498 WeakPolarHBondContact O-CD1 3.38Å; C479-I498 WeakPolarHBondContact O-CB 2.96Å; C479-I498 PolarHBondContact O-N 2.8Å; L481-I498 HydrophobicContact CD2-CD1 4.33Å; L481-I498 HydrophobicContact CD2-CG1 3.7Å; L481-I498 HydrophobicContact CG-CG1 4.08Å; I498-D500 PolarHBondContact O-N 3.34Å; I498-L502 HydrophobicContact CG2-CB 4.12Å; I498-L502 HydrophobicContact CG2-CD1 3.51Å; I498-L502 HydrophobicContact CG2-CG 4.42Å; I498-V656 HydrophobicContact CD1-CG2 4.2Å; I498-V656 HydrophobicContact CG1-CG2 4.2Å
499	M	91.8	Very high	87.9	Confident	10 Å²	10	48.7 Å²	48.7	5%	0.049	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-46.7	133.9	-175.2	-173.8	174.9	-69.4	0	0	114	L502 P641 L643 C645 C657 N658	M499-L502 HydrophobicContact CB-CD1 3.9Å; M499-L502 HydrophobicContact CB-CG 4.36Å; M499-L502 WeakPolarHBondContact O-CB 3.36Å; M499-L502 PolarHBondContact O-N 3.48Å; M499-P641 HydrophobicContact CG-CG 3.51Å; M499-P641 HydrophobicContact SD-CG 3.79Å; M499-L643 HydrophobicContact CE-CB 3.8Å; M499-L643 HydrophobicContact CE-CD1 3.9Å; M499-L643 HydrophobicContact CE-CG 4.41Å; M499-C645 HydrophobicContact CE-CB 4.02Å; M499-C657 HydrophobicContact CB-CB 4.35Å; M499-C657 HydrophobicContact CE-CB 3.74Å; M499-C657 PolarHBondContact N-O 3.35Å; M499-C657 HydrophobicContact SD-CB 4.4Å; M499-N658 VanDerWaalsContact CE-O 3.24Å; M499-N658 WeakPolarHBondContact CE-O 3.38Å
500	D	91.1	Very high	88.3	Confident	12 Å²	12	48 Å²	48	6%	0.064	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	138.3	175.6	-76.5	-3.2	0	0	0	111.3	K287 I498 L502 C511 Y512 E513 L639 P641	K287-D500 IonicContact NZ-OD2 2.66Å; K287-D500 PolarHBondContact NZ-OD2 2.77Å; I498-D500 PolarHBondContact O-N 3.34Å; D500-L502 VanDerWaalsContact C-N 3.35Å; D500-L502 PolarHBondContact O-N 2.83Å; D500-C511 WeakPolarHBondContact CA-O 3.48Å; D500-Y512 HydrophobicContact CB-CD2 4.22Å; D500-Y512 WeakPolarHBondContact OD1-CA 3.46Å; D500-E513 PolarHBondContact OD1-N 3.01Å; D500-L639 WeakPolarHBondContact CB-O 3.32Å; D500-P641 WeakPolarHBondContact O-CD 3.44Å
501	G	91.1	Very high	88.6	Confident	22 Å²	22	47.9 Å²	47.9	23%	0.227	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	-12.5	178	0	0	0	0	0	115.7	C511	G501-C511 PolarHBondContact N-O 3.22Å
502	L	91.8	Very high	88.9	Confident	62 Å²	62	45.3 Å²	45.3	33%	0.325	25%	0.25	S	C	.	.			trans	-65.7	140.6	172.3	-71.4	176.9	0	0	0	111.1	I498 M499 D500 Y510 C511	I498-L502 HydrophobicContact CG2-CB 4.12Å; I498-L502 HydrophobicContact CG2-CD1 3.51Å; I498-L502 HydrophobicContact CG2-CG 4.42Å; M499-L502 HydrophobicContact CB-CD1 3.9Å; M499-L502 HydrophobicContact CB-CG 4.36Å; M499-L502 WeakPolarHBondContact O-CB 3.36Å; M499-L502 PolarHBondContact O-N 3.48Å; D500-L502 VanDerWaalsContact C-N 3.35Å; D500-L502 PolarHBondContact O-N 2.83Å; L502-Y510 WeakPolarHBondContact O-CA 3.04Å; L502-C511 PolarHBondContact O-N 2.98Å
503	P	92.1	Very high	88.9	Confident	68 Å²	68	45.8 Å²	45.8	44%	0.442	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	146.8	-175.4	28.5	-34.4	0	0	0	112.7	D507 A509	P503-D507 HydrophobicContact CB-CB 4.41Å; P503-D507 VanDerWaalsContact CB-OD1 3.27Å; P503-D507 WeakPolarHBondContact CB-OD1 3.24Å; P503-D507 WeakPolarHBondContact CG-OD1 3.47Å; P503-A509 CarbonylContact C-O 3.37Å; P503-A509 WeakPolarHBondContact CA-O 3.07Å
504	C	92.6	Very high	88.8	Confident	9 Å²	9	44.8 Å²	44.8	6%	0.061	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	169.3	173.4	69.8	0	0	0	0	110.5	V478 N506 D507 A508 A509 Y510 C516	V478-C504 HydrophobicContact CG2-CB 3.93Å; C504-N506 PolarHBondContact O-N 3.14Å; C504-D507 PolarHBondContact O-N 3.24Å; C504-A508 PolarHBondContact O-N 2.95Å; C504-A509 PolarHBondContact N-O 2.88Å; C504-A509 PolarHBondContact O-N 2.9Å; C504-A509 VanDerWaalsContact O-N 3.15Å; C504-A509 VanDerWaalsContact SG-CB 3.58Å; C504-Y510 VanDerWaalsContact SG-C 3.54Å; C504-C516 HydrophobicContact CB-CB 3.87Å; C504-C516 WeakPolarHBondContact CB-SG 3.43Å; C504-C516 WeakPolarHBondContact SG-CA 3.36Å; C504-C516 WeakPolarHBondContact SG-CB 3.49Å; C504-C516 CovalentContact SG-SG 2.04Å; C504-C516 PolarHBondContact SG-SG 2.56Å
505	K	90.3	Very high	89.1	Confident	143 Å²	143	44.9 Å²	44.9	62%	0.622	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	46.6	-178.6	-79.7	-82.2	-172.6	170.2	0	113.8	A508 A509 C516 T518	K505-A508 WeakPolarHBondContact O-CB 3.37Å; K505-A508 PolarHBondContact O-N 2.87Å; K505-A509 HydrophobicContact CB-CB 4.32Å; K505-C516 VanDerWaalsContact CG-SG 3.57Å; K505-T518 HydrophobicContact CG-CG2 4.46Å
506	N	88.1	Confident	89.7	Confident	162 Å²	162	43.3 Å²	43.3	87%	0.866	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	54.7	-177.8	-50.1	-24.5	0	0	0	111.9	C504 A508	C504-N506 PolarHBondContact O-N 3.14Å; N506-A508 PolarHBondContact O-N 2.87Å
507	D	86.3	Confident	89.8	Confident	120 Å²	120	43.5 Å²	43.5	64%	0.642	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	9.7	179.5	-46.5	-41.7	0	0	0	115.9	P503 C504	P503-D507 HydrophobicContact CB-CB 4.41Å; P503-D507 VanDerWaalsContact CB-OD1 3.27Å; P503-D507 WeakPolarHBondContact CB-OD1 3.24Å; P503-D507 WeakPolarHBondContact CG-OD1 3.47Å; C504-D507 PolarHBondContact O-N 3.24Å
508	A	88.9	Confident	90	Very high	65 Å²	65	43.4 Å²	43.4	54%	0.537	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-13	177.9	0	0	0	0	0	113.9	C504 K505 N506 P621	C504-A508 PolarHBondContact O-N 2.95Å; K505-A508 WeakPolarHBondContact O-CB 3.37Å; K505-A508 PolarHBondContact O-N 2.87Å; N506-A508 PolarHBondContact O-N 2.87Å; A508-P621 VanDerWaalsContact O-CB 3.3Å; A508-P621 WeakPolarHBondContact O-CB 3.35Å; A508-P621 VanDerWaalsContact O-CG 3.24Å; A508-P621 WeakPolarHBondContact O-CG 3.27Å
509	A	94.5	Very high	90.1	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.008	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	176.2	-176.9	0	0	0	0	0	111.2	P503 C504 K505 Q517 T518 P621	P503-A509 CarbonylContact C-O 3.37Å; P503-A509 WeakPolarHBondContact CA-O 3.07Å; C504-A509 PolarHBondContact N-O 2.88Å; C504-A509 PolarHBondContact O-N 2.9Å; C504-A509 VanDerWaalsContact O-N 3.15Å; C504-A509 VanDerWaalsContact SG-CB 3.58Å; K505-A509 HydrophobicContact CB-CB 4.32Å; A509-Q517 WeakPolarHBondContact CB-O 3.38Å; A509-T518 HydrophobicContact CB-CG2 3.72Å; A509-P621 HydrophobicContact CB-CG 4.01Å
510	Y	94.4	Very high	90.1	Very high	24 Å²	24	46.3 Å²	46.3	9%	0.094	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	145.9	-178.6	-52.7	-77.6	0	0	0	111.4	L502 C504 Q517 P621 G625 K626 A636 L639	L502-Y510 WeakPolarHBondContact O-CA 3.04Å; C504-Y510 VanDerWaalsContact SG-C 3.54Å; Y510-Q517 PolarHBondContact O-N 3.2Å; Y510-Q517 VanDerWaalsContact O-N 3.07Å; Y510-P621 HydrophobicContact CD2-CB 4.38Å; Y510-P621 HydrophobicContact CE2-CB 4.16Å; Y510-G625 WeakPolarHBondContact OH-CA 3.36Å; Y510-K626 WeakPolarHBondContact CE2-O 3.13Å; Y510-A636 HydrophobicContact CD1-CB 4.28Å; Y510-A636 HydrophobicContact CD2-CB 4.43Å; Y510-A636 HydrophobicContact CE1-CB 3.68Å; Y510-A636 HydrophobicContact CE2-CB 3.85Å; Y510-A636 VanDerWaalsContact CZ-CB 3.44Å; Y510-L639 HydrophobicContact CG-CD1 4.19Å
511	C	92.4	Very high	89.8	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.02	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	130.5	164.5	-63.7	0	0	0	0	109.4	C479 D500 G501 L502	C479-C511 HydrophobicContact CB-CB 3.6Å; C479-C511 WeakPolarHBondContact CB-SG 3.25Å; C479-C511 WeakPolarHBondContact SG-CA 3.4Å; C479-C511 WeakPolarHBondContact SG-CB 3.42Å; C479-C511 CovalentContact SG-SG 2.04Å; C479-C511 PolarHBondContact SG-SG 3.32Å; D500-C511 WeakPolarHBondContact CA-O 3.48Å; G501-C511 PolarHBondContact N-O 3.22Å; L502-C511 PolarHBondContact O-N 2.98Å
512	Y	88.9	Confident	89.6	Confident	26 Å²	26	47.2 Å²	47.2	10%	0.102	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	119.9	173	-170.7	-101.6	0	0	0	109.1	K287 A326 D500 G514 R515 Q517 P618 L639	K287-Y512 PolarHBondContact NZ-OH 3.33Å; K287-Y512 VanDerWaalsContact NZ-OH 3.13Å; A326-Y512 VanDerWaalsContact CB-OH 3.23Å; A326-Y512 WeakPolarHBondContact CB-OH 3.34Å; D500-Y512 HydrophobicContact CB-CD2 4.22Å; D500-Y512 WeakPolarHBondContact OD1-CA 3.46Å; Y512-G514 VanDerWaalsContact C-N 3.32Å; Y512-G514 PolarHBondContact O-N 2.76Å; Y512-R515 PolarHBondContact N-O 2.76Å; Y512-R515 PolarHBondContact O-N 2.88Å; Y512-Q517 PolarHBondContact O-NE2 3.43Å; Y512-P618 HydrophobicContact CD1-CB 4.41Å; Y512-P618 WeakPolarHBondContact CD1-O 3.25Å; Y512-P618 HydrophobicContact CE1-CB 3.87Å; Y512-L639 HydrophobicContact CD2-CD2 3.86Å; Y512-L639 HydrophobicContact CE2-CD2 3.92Å
513	E	82.9	Confident	89.6	Confident	43 Å²	43	44.3 Å²	44.3	20%	0.201	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	48.2	-176	-55.5	-166.7	161.5	0	0	112.9	K287 S324 V325 A326 D500 R515	K287-E513 IonicContact NZ-OE1 3.47Å; S324-E513 WeakPolarHBondContact CB-OE2 3.42Å; S324-E513 VanDerWaalsContact OG-CD 3.31Å; S324-E513 PolarHBondContact OG-OE1 2.68Å; S324-E513 PolarHBondContact OG-OE2 3.46Å; V325-E513 PolarHBondContact N-OE1 3.26Å; A326-E513 WeakPolarHBondContact CA-OE1 3.48Å; A326-E513 WeakPolarHBondContact CB-OE1 3.05Å; A326-E513 PolarHBondContact N-OE1 2.87Å; D500-E513 PolarHBondContact OD1-N 3.01Å; E513-R515 PolarHBondContact O-N 2.83Å
514	G	82.6	Confident	89.2	Confident	7 Å²	7	44.6 Å²	44.6	7%	0.072	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	17.5	176	0	0	0	0	0	115.7	Y512	Y512-G514 VanDerWaalsContact C-N 3.32Å; Y512-G514 PolarHBondContact O-N 2.76Å
515	R	84.9	Confident	88.5	Confident	63 Å²	63	47.5 Å²	47.5	24%	0.238	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	145.7	172.8	-58.9	-171.5	-169.9	-105	-8.2	111.7	G397 D477 Y512 E513 Q517 Y521	G397-R515 PolarHBondContact O-NH2 3.47Å; D477-R515 WeakPolarHBondContact OD2-CA 3.39Å; Y512-R515 PolarHBondContact N-O 2.76Å; Y512-R515 PolarHBondContact O-N 2.88Å; E513-R515 PolarHBondContact O-N 2.83Å; R515-Q517 PolarHBondContact O-N 3.28Å; R515-Y521 WeakPolarHBondContact CD-OH 3.42Å; R515-Y521 PolarHBondContact NH1-OH 3.13Å
516	C	90.6	Very high	87.8	Confident	8 Å²	8	41.9 Å²	41.9	5%	0.054	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	96.7	172.1	-177.2	0	0	0	0	109.6	D477 V478 C479 C504 K505 T518	D477-C516 PolarHBondContact OD2-N 3.13Å; V478-C516 HydrophobicContact CG2-CB 3.86Å; C479-C516 VanDerWaalsContact SG-CA 3.56Å; C504-C516 HydrophobicContact CB-CB 3.87Å; C504-C516 WeakPolarHBondContact CB-SG 3.43Å; C504-C516 WeakPolarHBondContact SG-CA 3.36Å; C504-C516 WeakPolarHBondContact SG-CB 3.49Å; C504-C516 CovalentContact SG-SG 2.04Å; C504-C516 PolarHBondContact SG-SG 2.56Å; K505-C516 VanDerWaalsContact CG-SG 3.57Å; C516-T518 PolarHBondContact O-N 3.27Å; C516-T518 VanDerWaalsContact O-N 3.13Å
517	Q	89.9	Confident	87.5	Confident	13 Å²	13	34.3 Å²	34.3	6%	0.061	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	113.5	-170.7	-61.6	-63.8	-17.6	0	0	111.1	A509 Y510 Y512 R515 N617 P621	A509-Q517 WeakPolarHBondContact CB-O 3.38Å; Y510-Q517 PolarHBondContact O-N 3.2Å; Y510-Q517 VanDerWaalsContact O-N 3.07Å; Y512-Q517 PolarHBondContact O-NE2 3.43Å; R515-Q517 PolarHBondContact O-N 3.28Å; Q517-N617 PolarHBondContact OE1-ND2 3.46Å; Q517-P621 WeakPolarHBondContact O-CD 3.49Å
518	T	92	Very high	87.1	Confident	28 Å²	28	29.9 Å²	29.9	17%	0.172	16%	0.162	C	C	.	.			trans	-140.5	145.5	176.4	58.2	0	0	0	0	110.4	K505 A509 C516 D520 Y521 Q522	K505-T518 HydrophobicContact CG-CG2 4.46Å; A509-T518 HydrophobicContact CB-CG2 3.72Å; C516-T518 PolarHBondContact O-N 3.27Å; C516-T518 VanDerWaalsContact O-N 3.13Å; T518-D520 VanDerWaalsContact C-N 3.26Å; T518-D520 PolarHBondContact O-N 3.32Å; T518-Y521 WeakPolarHBondContact O-CB 3.4Å; T518-Y521 PolarHBondContact O-N 3.14Å; T518-Y521 VanDerWaalsContact O-N 3.14Å; T518-Y521 WeakPolarHBondContact OG1-CB 3.33Å; T518-Y521 PolarHBondContact OG1-N 2.97Å; T518-Q522 PolarHBondContact O-N 2.9Å
519	Y	94.3	Very high	86.6	Confident	10 Å²	10	32.2 Å²	32.2	4%	0.039	17%	0.174	C	C	.	.	H	α-helix	trans	-59.6	-36.1	174.7	-57	-80	0	0	0	112.7	Q522 C523 K533 F539 K569 V573 V616 P621	Y519-Q522 PolarHBondContact O-N 3.25Å; Y519-C523 WeakPolarHBondContact O-CB 3.28Å; Y519-C523 PolarHBondContact O-N 3.17Å; Y519-C523 PolarHBondContact O-SG 3Å; Y519-K533 VanDerWaalsContact CB-CG 3.42Å; Y519-K533 HydrophobicContact CD2-CD 3.73Å; Y519-K533 HydrophobicContact CD2-CG 4.18Å; Y519-K533 HydrophobicContact CG-CD 4Å; Y519-K533 HydrophobicContact CG-CG 3.91Å; Y519-F539 AromaticContact CD1-CE1 3.96Å; Y519-F539 HydrophobicContact CD1-CE1 3.96Å; Y519-F539 AromaticContact CD1-CZ 3.9Å; Y519-F539 HydrophobicContact CD1-CZ 3.9Å; Y519-F539 AromaticContact CE1-CE1 3.87Å; Y519-F539 HydrophobicContact CE1-CE1 3.87Å; Y519-F539 HydrophobicContact CE1-CZ 4.18Å; Y519-F539 HydrophobicContact CG-CZ 4.41Å; Y519-K569 WeakPolarHBondContact CE1-O 3.21Å; Y519-K569 PolarHBondContact OH-O 3.31Å; Y519-V573 HydrophobicContact CD1-CG2 4.14Å; Y519-V616 HydrophobicContact CD1-CG1 4.25Å; Y519-V616 HydrophobicContact CD1-CG2 4.16Å; Y519-V616 HydrophobicContact CE1-CB 4.3Å; Y519-V616 HydrophobicContact CE1-CG1 3.54Å; Y519-V616 HydrophobicContact CE1-CG2 3.69Å; Y519-P621 VanDerWaalsContact CE2-O 3.3Å; Y519-P621 WeakPolarHBondContact CE2-O 3.2Å; Y519-P621 PolarHBondContact OH-O 2.91Å
520	D	91.5	Very high	86.2	Confident	83 Å²	83	33.6 Å²	33.6	44%	0.444	19%	0.188	S	C	.	.	H	α-helix	trans	-60	-45.4	174.4	-77	-28.8	0	0	0	111.5	T518 C523 L524 K532 K533	T518-D520 VanDerWaalsContact C-N 3.26Å; T518-D520 PolarHBondContact O-N 3.32Å; D520-C523 PolarHBondContact O-N 3.47Å; D520-L524 WeakPolarHBondContact O-CB 3.47Å; D520-L524 PolarHBondContact O-N 2.78Å; D520-K532 WeakPolarHBondContact OD1-CA 3.18Å; D520-K532 WeakPolarHBondContact OD1-CB 3.34Å; D520-K533 WeakPolarHBondContact OD1-CB 3.46Å; D520-K533 PolarHBondContact OD1-N 3.29Å
521	Y	86.1	Confident	86.1	Confident	50 Å²	50	32.6 Å²	32.6	20%	0.196	19%	0.185	C	C	.	.	H	α-helix	trans	-60.5	-46.9	175.3	170.7	-94.2	0	0	0	111.2	R515 T518 L524 Q525	R515-Y521 WeakPolarHBondContact CD-OH 3.42Å; R515-Y521 PolarHBondContact NH1-OH 3.13Å; T518-Y521 WeakPolarHBondContact O-CB 3.4Å; T518-Y521 PolarHBondContact O-N 3.14Å; T518-Y521 VanDerWaalsContact O-N 3.14Å; T518-Y521 WeakPolarHBondContact OG1-CB 3.33Å; T518-Y521 PolarHBondContact OG1-N 2.97Å; Y521-L524 WeakPolarHBondContact O-CB 3.42Å; Y521-L524 PolarHBondContact O-N 3.13Å; Y521-Q525 HydrophobicContact CD1-CG 4.28Å; Y521-Q525 HydrophobicContact CD2-CG 4.47Å; Y521-Q525 HydrophobicContact CE1-CG 3.73Å; Y521-Q525 HydrophobicContact CE2-CG 3.95Å; Y521-Q525 WeakPolarHBondContact O-CG 3.36Å; Y521-Q525 PolarHBondContact O-N 3.29Å
522	Q	87.4	Confident	86.2	Confident	4 Å²	4	38.1 Å²	38.1	2%	0.019	21%	0.209	C	C	.	.	H	α-helix	trans	-63.8	-45.7	179.2	-172.8	173.7	3.6	0	0	112.1	T518 Y519 L524 Q525 L526 P613 Y615 N617	T518-Q522 PolarHBondContact O-N 2.9Å; Y519-Q522 PolarHBondContact O-N 3.25Å; Q522-L524 VanDerWaalsContact C-N 3.28Å; Q522-L524 PolarHBondContact O-N 3.06Å; Q522-Q525 PolarHBondContact O-N 3.38Å; Q522-Q525 VanDerWaalsContact O-N 3.12Å; Q522-L526 HydrophobicContact CG-CD1 4.03Å; Q522-L526 HydrophobicContact CG-CG 4.42Å; Q522-L526 WeakPolarHBondContact O-CG 3.33Å; Q522-L526 PolarHBondContact O-N 3.12Å; Q522-P613 PolarHBondContact NE2-O 3.1Å; Q522-Y615 PolarHBondContact NE2-O 3.48Å; Q522-N617 PolarHBondContact NE2-OD1 2.86Å
523	C	90	Very high	86.6	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.2	-38.5	175.5	-71.2	0	0	0	0	112.2	Y519 D520 F527 A531 K532 C575	Y519-C523 WeakPolarHBondContact O-CB 3.28Å; Y519-C523 PolarHBondContact O-N 3.17Å; Y519-C523 PolarHBondContact O-SG 3Å; D520-C523 PolarHBondContact O-N 3.47Å; C523-F527 WeakPolarHBondContact O-CB 3.43Å; C523-F527 PolarHBondContact O-N 2.82Å; C523-A531 HydrophobicContact CB-CB 4.33Å; C523-A531 WeakPolarHBondContact O-CB 3.44Å; C523-K532 PolarHBondContact SG-O 3.28Å; C523-K532 VanDerWaalsContact SG-O 3.35Å; C523-C575 VanDerWaalsContact CA-SG 3.5Å; C523-C575 HydrophobicContact CB-CB 3.81Å; C523-C575 WeakPolarHBondContact CB-SG 3.02Å; C523-C575 VanDerWaalsContact SG-CA 3.53Å; C523-C575 WeakPolarHBondContact SG-CB 3.4Å; C523-C575 CovalentContact SG-SG 2.04Å; C523-C575 PolarHBondContact SG-SG 3.36Å
524	L	84.7	Confident	87.2	Confident	74 Å²	74	38 Å²	38	39%	0.387	21%	0.209	S	C	.	.	H	α-helix	trans	-66.3	-39.1	174.2	-168.4	87.6	0	0	0	112.6	D520 Y521 Q522 G528	D520-L524 WeakPolarHBondContact O-CB 3.47Å; D520-L524 PolarHBondContact O-N 2.78Å; Y521-L524 WeakPolarHBondContact O-CB 3.42Å; Y521-L524 PolarHBondContact O-N 3.13Å; Q522-L524 VanDerWaalsContact C-N 3.28Å; Q522-L524 PolarHBondContact O-N 3.06Å; L524-G528 WeakPolarHBondContact CD1-O 3.43Å; L524-G528 WeakPolarHBondContact O-CA 2.93Å; L524-G528 PolarHBondContact O-N 2.81Å
525	Q	77	Confident	87.9	Confident	70 Å²	70	42.2 Å²	42.2	33%	0.327	23%	0.23	S	C	.	.	H	α-helix	trans	-69	-36.7	177.1	-68	-46.2	-54.4	0	0	112.7	Y521 Q522	Y521-Q525 HydrophobicContact CD1-CG 4.28Å; Y521-Q525 HydrophobicContact CD2-CG 4.47Å; Y521-Q525 HydrophobicContact CE1-CG 3.73Å; Y521-Q525 HydrophobicContact CE2-CG 3.95Å; Y521-Q525 WeakPolarHBondContact O-CG 3.36Å; Y521-Q525 PolarHBondContact O-N 3.29Å; Q522-Q525 PolarHBondContact O-N 3.38Å; Q522-Q525 VanDerWaalsContact O-N 3.12Å
526	L	75.4	Confident	88.5	Confident	25 Å²	25	42 Å²	42	13%	0.131	23%	0.233	C	C	.	.	H	α-helix	trans	-72.5	-64.7	176.7	-66.3	172.5	0	0	0	110.4	Q522 V573 P584 F604 P613 A614	Q522-L526 HydrophobicContact CG-CD1 4.03Å; Q522-L526 HydrophobicContact CG-CG 4.42Å; Q522-L526 WeakPolarHBondContact O-CG 3.33Å; Q522-L526 PolarHBondContact O-N 3.12Å; L526-V573 HydrophobicContact CD1-CG1 3.57Å; L526-P584 VanDerWaalsContact O-CG 3.31Å; L526-P584 WeakPolarHBondContact O-CG 3.22Å; L526-F604 HydrophobicContact CD2-CE2 3.91Å; L526-F604 HydrophobicContact CD2-CZ 3.99Å; L526-P613 HydrophobicContact CD2-CB 3.75Å; L526-A614 HydrophobicContact CD1-CB 3.97Å
527	F	81.7	Confident	88.7	Confident	4 Å²	4	43.6 Å²	43.6	2%	0.018	24%	0.241	C	C	.	.	H	α-helix	trans	-95.5	0.3	-166.2	-68.2	-74.8	0	0	0	115	C523 A531 C575 V578 P584 I589 I600 A602	C523-F527 WeakPolarHBondContact O-CB 3.43Å; C523-F527 PolarHBondContact O-N 2.82Å; F527-A531 HydrophobicContact CB-CB 3.56Å; F527-C575 HydrophobicContact CD2-CB 3.92Å; F527-C575 HydrophobicContact CE2-CB 3.78Å; F527-V578 HydrophobicContact CB-CB 4.36Å; F527-V578 HydrophobicContact CB-CG1 3.94Å; F527-V578 HydrophobicContact CB-CG2 3.8Å; F527-V578 HydrophobicContact CD1-CB 4.23Å; F527-V578 HydrophobicContact CD1-CG1 3.32Å; F527-V578 HydrophobicContact CD1-CG2 3.84Å; F527-V578 HydrophobicContact CD2-CG2 3.75Å; F527-V578 HydrophobicContact CE1-CG1 3.9Å; F527-V578 HydrophobicContact CE1-CG2 4.26Å; F527-V578 HydrophobicContact CE2-CG2 4.2Å; F527-V578 HydrophobicContact CG-CB 4.28Å; F527-V578 HydrophobicContact CG-CG1 3.78Å; F527-V578 HydrophobicContact CG-CG2 3.53Å; F527-V578 HydrophobicContact CZ-CG2 4.42Å; F527-P584 HydrophobicContact CD1-CG 4.41Å; F527-I589 HydrophobicContact CE1-CD1 3.86Å; F527-I600 HydrophobicContact CE1-CG2 4.31Å; F527-I600 HydrophobicContact CZ-CG2 4.11Å; F527-A602 HydrophobicContact CE1-CB 3.94Å; F527-A602 HydrophobicContact CE2-CB 4.41Å; F527-A602 HydrophobicContact CZ-CB 3.58Å
528	G	78.1	Confident	89.1	Confident	27 Å²	27	43 Å²	43	28%	0.278	24%	0.238	S	C	.	.			trans	75.9	-156	-179	0	0	0	0	0	113.7	L524 A531	L524-G528 WeakPolarHBondContact CD1-O 3.43Å; L524-G528 WeakPolarHBondContact O-CA 2.93Å; L524-G528 PolarHBondContact O-N 2.81Å; G528-A531 PolarHBondContact O-N 3.14Å
529	S	79.1	Confident	89.3	Confident	114 Å²	114	41.7 Å²	41.7	80%	0.797	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	136.5	-167.1	-158.4	0	0	0	0	113	A531	S529-A531 VanDerWaalsContact C-N 3.34Å; S529-A531 PolarHBondContact O-N 2.97Å
530	G	85.6	Confident	89.4	Confident	29 Å²	29	44.7 Å²	44.7	30%	0.299	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.9	-25.3	178.1	0	0	0	0	0	114.5	N577	G530-N577 CarbonylContact C-O 3.39Å; G530-N577 PolarHBondContact O-ND2 3.09Å
531	A	92.1	Very high	89.6	Confident	4 Å²	4	46.6 Å²	46.6	3%	0.033	25%	0.246	C	C	.	.			trans	-64.2	142.4	179.7	0	0	0	0	0	112.5	C523 F527 G528 S529 T576 N577 V578	C523-A531 HydrophobicContact CB-CB 4.33Å; C523-A531 WeakPolarHBondContact O-CB 3.44Å; F527-A531 HydrophobicContact CB-CB 3.56Å; G528-A531 PolarHBondContact O-N 3.14Å; S529-A531 VanDerWaalsContact C-N 3.34Å; S529-A531 PolarHBondContact O-N 2.97Å; A531-T576 WeakPolarHBondContact CA-O 3.27Å; A531-N577 PolarHBondContact N-O 3.5Å; A531-V578 HydrophobicContact CB-CG2 4.13Å
532	K	95.6	Very high	90.1	Very high	119 Å²	119	44.3 Å²	44.3	52%	0.517	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	167.5	-176.4	-69.5	-177.1	-175.4	179.2	0	111.1	D520 C523 C575 T576	D520-K532 WeakPolarHBondContact OD1-CA 3.18Å; D520-K532 WeakPolarHBondContact OD1-CB 3.34Å; C523-K532 PolarHBondContact SG-O 3.28Å; C523-K532 VanDerWaalsContact SG-O 3.35Å; K532-C575 CarbonylContact O-C 3.43Å; K532-C575 WeakPolarHBondContact O-CA 3.42Å; K532-C575 WeakPolarHBondContact O-CB 3.24Å; K532-T576 HydrophobicContact CB-CG2 4.47Å; K532-T576 PolarHBondContact N-O 3.34Å; K532-T576 PolarHBondContact O-N 2.83Å
533	K	96.4	Very high	90.6	Very high	61 Å²	61	44.1 Å²	44.1	27%	0.265	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	135.6	168.2	-169.8	-161.3	170.6	-172.4	0	110.6	Y519 D520 D536 F539 T576	Y519-K533 VanDerWaalsContact CB-CG 3.42Å; Y519-K533 HydrophobicContact CD2-CD 3.73Å; Y519-K533 HydrophobicContact CD2-CG 4.18Å; Y519-K533 HydrophobicContact CG-CD 4Å; Y519-K533 HydrophobicContact CG-CG 3.91Å; D520-K533 WeakPolarHBondContact OD1-CB 3.46Å; D520-K533 PolarHBondContact OD1-N 3.29Å; K533-D536 WeakPolarHBondContact CE-OD1 3.5Å; K533-D536 IonicContact NZ-OD1 3.47Å; K533-D536 PolarHBondContact NZ-OD1 2.99Å; K533-F539 HydrophobicContact CG-CE2 3.99Å; K533-F539 HydrophobicContact CG-CZ 4.09Å; K533-T576 WeakPolarHBondContact O-CG2 3.03Å
534	A	97.1	Very high	90.9	Very high	4 Å²	4	46.3 Å²	46.3	3%	0.033	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-75.9	168.8	167.6	0	0	0	0	0	112.2	C538 Q574	A534-C538 HydrophobicContact CB-CB 3.9Å; A534-Q574 HydrophobicContact CB-CB 4.01Å; A534-Q574 WeakPolarHBondContact CB-O 3.18Å; A534-Q574 PolarHBondContact N-O 3.29Å
535	D	97.3	Very high	91.4	Very high	97 Å²	97	45.3 Å²	45.3	52%	0.519	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-61.4	150.4	173.8	-62.5	-47.4	0	0	0	111.5	I537 C538 S597	D535-I537 HydrophobicContact CB-CG2 4.07Å; D535-I537 PolarHBondContact O-N 3.01Å; D535-I537 VanDerWaalsContact O-N 3.07Å; D535-C538 VanDerWaalsContact O-CB 3.28Å; D535-C538 WeakPolarHBondContact O-CB 3.33Å; D535-C538 PolarHBondContact O-N 3.02Å; D535-S597 WeakPolarHBondContact CB-OG 3.26Å; D535-S597 VanDerWaalsContact OD2-CB 3.28Å; D535-S597 WeakPolarHBondContact OD2-CB 3.05Å; D535-S597 PolarHBondContact OD2-OG 3.37Å
536	D	96.1	Very high	92.1	Very high	58 Å²	58	42.9 Å²	42.9	31%	0.31	24%	0.236	S	C	.	.	H	α-helix	trans	-56	-31.7	-174.8	-76.3	-17.3	0	0	0	113.3	K533 C538 F539 E540 K569	K533-D536 WeakPolarHBondContact CE-OD1 3.5Å; K533-D536 IonicContact NZ-OD1 3.47Å; K533-D536 PolarHBondContact NZ-OD1 2.99Å; D536-C538 PolarHBondContact O-N 2.75Å; D536-F539 WeakPolarHBondContact O-CB 3.45Å; D536-F539 PolarHBondContact O-N 2.91Å; D536-E540 PolarHBondContact O-N 3Å; D536-K569 WeakPolarHBondContact OD1-CE 3.44Å; D536-K569 IonicContact OD1-NZ 2.76Å; D536-K569 PolarHBondContact OD1-NZ 3.12Å; D536-K569 VanDerWaalsContact OD2-CE 3.32Å; D536-K569 WeakPolarHBondContact OD2-CE 3.19Å; D536-K569 IonicContact OD2-NZ 2.64Å; D536-K569 PolarHBondContact OD2-NZ 2.9Å
537	I	95.9	Very high	92.9	Very high	42 Å²	42	44.1 Å²	44.1	22%	0.215	24%	0.243	C	C	.	.	H	α-helix	trans	-58.6	-29.6	176.1	-167	61.2	0	0	0	113	D535 E540 Y541 V594 Q595	D535-I537 HydrophobicContact CB-CG2 4.07Å; D535-I537 PolarHBondContact O-N 3.01Å; D535-I537 VanDerWaalsContact O-N 3.07Å; I537-E540 PolarHBondContact O-N 2.04Å; I537-Y541 WeakPolarHBondContact O-CB 3.45Å; I537-Y541 PolarHBondContact O-N 3.35Å; I537-V594 HydrophobicContact CG1-CG1 3.83Å; I537-Q595 HydrophobicContact CG1-CG 4.44Å
538	C	97.4	Very high	93.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.7	-44	174.8	-70.2	0	0	0	0	111.4	A534 D535 D536 E542 Q574 C599	A534-C538 HydrophobicContact CB-CB 3.9Å; D535-C538 VanDerWaalsContact O-CB 3.28Å; D535-C538 WeakPolarHBondContact O-CB 3.33Å; D535-C538 PolarHBondContact O-N 3.02Å; D536-C538 PolarHBondContact O-N 2.75Å; C538-E542 VanDerWaalsContact O-CB 3.24Å; C538-E542 WeakPolarHBondContact O-CB 3.12Å; C538-E542 WeakPolarHBondContact O-CG 3.38Å; C538-E542 PolarHBondContact O-N 2.79Å; C538-Q574 HydrophobicContact CB-CB 3.77Å; C538-Q574 HydrophobicContact CB-CG 4.11Å; C538-C599 WeakPolarHBondContact CA-SG 3.33Å; C538-C599 HydrophobicContact CB-CB 3.59Å; C538-C599 WeakPolarHBondContact CB-SG 3.47Å; C538-C599 WeakPolarHBondContact SG-CA 3.48Å; C538-C599 WeakPolarHBondContact SG-CB 3.45Å; C538-C599 CovalentContact SG-SG 2.03Å; C538-C599 PolarHBondContact SG-SG 3.38Å
539	F	97.5	Very high	93.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.7	-48.3	176.8	-64.8	-100.2	0	0	0	110.1	Y519 K533 D536 Y541 N543 K569 V573 Q574 V616	Y519-F539 AromaticContact CD1-CE1 3.96Å; Y519-F539 HydrophobicContact CD1-CE1 3.96Å; Y519-F539 AromaticContact CD1-CZ 3.9Å; Y519-F539 HydrophobicContact CD1-CZ 3.9Å; Y519-F539 AromaticContact CE1-CE1 3.87Å; Y519-F539 HydrophobicContact CE1-CE1 3.87Å; Y519-F539 HydrophobicContact CE1-CZ 4.18Å; Y519-F539 HydrophobicContact CG-CZ 4.41Å; K533-F539 HydrophobicContact CG-CE2 3.99Å; K533-F539 HydrophobicContact CG-CZ 4.09Å; D536-F539 WeakPolarHBondContact O-CB 3.45Å; D536-F539 PolarHBondContact O-N 2.91Å; F539-Y541 VanDerWaalsContact C-N 3.28Å; F539-Y541 PolarHBondContact O-N 3.24Å; F539-N543 VanDerWaalsContact O-CB 3.29Å; F539-N543 WeakPolarHBondContact O-CB 3.19Å; F539-N543 PolarHBondContact O-N 3.08Å; F539-K569 HydrophobicContact CB-CG 4.1Å; F539-K569 HydrophobicContact CG-CG 4.36Å; F539-V573 HydrophobicContact CE1-CG2 4.36Å; F539-V573 HydrophobicContact CZ-CG2 4.39Å; F539-Q574 HydrophobicContact CD1-CB 4.32Å; F539-Q574 HydrophobicContact CD1-CG 4.11Å; F539-Q574 HydrophobicContact CD2-CB 3.98Å; F539-Q574 HydrophobicContact CD2-CG 4.32Å; F539-Q574 HydrophobicContact CE1-CB 4.19Å; F539-Q574 HydrophobicContact CE1-CG 4.37Å; F539-Q574 HydrophobicContact CE2-CB 3.8Å; F539-Q574 HydrophobicContact CG-CB 4.23Å; F539-Q574 HydrophobicContact CG-CG 4.1Å; F539-Q574 HydrophobicContact CZ-CB 3.92Å; F539-Q574 WeakPolarHBondContact CZ-O 3.42Å; F539-V616 HydrophobicContact CE1-CG2 4.17Å
540	E	95.8	Very high	94.6	Very high	74 Å²	74	40.4 Å²	40.4	35%	0.346	21%	0.207	S	C	.	.	H	α-helix	trans	-65.3	-26.8	-177.4	-68.4	172.8	-163.4	0	0	113.8	D536 I537 V544 V565 A568	D536-E540 PolarHBondContact O-N 3Å; I537-E540 PolarHBondContact O-N 2.04Å; E540-V544 WeakPolarHBondContact O-CG1 3.41Å; E540-V544 VanDerWaalsContact O-CG2 3.25Å; E540-V544 WeakPolarHBondContact O-CG2 3.3Å; E540-V565 HydrophobicContact CG-CG1 4.34Å; E540-A568 HydrophobicContact CG-CB 4.4Å
541	Y	95.8	Very high	95	Very high	123 Å²	123	39 Å²	39	48%	0.482	19%	0.193	S	C	.	.	H	α-helix	trans	-94.3	-42.5	177.8	-171.6	-98.7	0	0	0	113.8	I537 F539 V544 K545 V594	I537-Y541 WeakPolarHBondContact O-CB 3.45Å; I537-Y541 PolarHBondContact O-N 3.35Å; F539-Y541 VanDerWaalsContact C-N 3.28Å; F539-Y541 PolarHBondContact O-N 3.24Å; Y541-V544 WeakPolarHBondContact O-CG2 3.29Å; Y541-K545 WeakPolarHBondContact O-CG 3.29Å; Y541-V594 HydrophobicContact CD1-CB 4.34Å; Y541-V594 HydrophobicContact CD1-CG1 3.89Å; Y541-V594 HydrophobicContact CD1-CG2 3.43Å; Y541-V594 VanDerWaalsContact CD1-CG2 3.43Å; Y541-V594 HydrophobicContact CD2-CG1 4.23Å; Y541-V594 HydrophobicContact CE1-CG2 3.99Å; Y541-V594 HydrophobicContact CG-CG1 3.68Å; Y541-V594 HydrophobicContact CG-CG2 4.08Å
542	E	96.4	Very high	95.1	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.009	20%	0.195	C	C	.	.	H	α-helix	trans	-75	-50.1	-179	-65.5	-54.6	131.1	0	0	111.6	C538 V544 K545 G550 C599	C538-E542 VanDerWaalsContact O-CB 3.24Å; C538-E542 WeakPolarHBondContact O-CB 3.12Å; C538-E542 WeakPolarHBondContact O-CG 3.38Å; C538-E542 PolarHBondContact O-N 2.79Å; E542-V544 PolarHBondContact O-N 2.8Å; E542-V544 VanDerWaalsContact O-N 3.13Å; E542-K545 VanDerWaalsContact O-CB 3.26Å; E542-K545 WeakPolarHBondContact O-CB 3.09Å; E542-K545 WeakPolarHBondContact O-CG 3.33Å; E542-K545 PolarHBondContact O-N 2.73Å; E542-K545 WeakPolarHBondContact OE1-CE 3.29Å; E542-K545 IonicContact OE1-NZ 2.77Å; E542-K545 PolarHBondContact OE1-NZ 2.93Å; E542-K545 WeakPolarHBondContact OE2-CD 3.17Å; E542-K545 VanDerWaalsContact OE2-CE 3.3Å; E542-K545 WeakPolarHBondContact OE2-CE 3.45Å; E542-K545 IonicContact OE2-NZ 3.42Å; E542-K545 PolarHBondContact OE2-NZ 2.86Å; E542-G550 CarbonylContact O-C 3.49Å; E542-G550 WeakPolarHBondContact O-CA 3.33Å; E542-C599 HydrophobicContact CG-CB 4.45Å
543	N	97.4	Very high	94.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-15.7	-169.5	-73.2	-39.8	0	0	0	114.5	F539 G550 N551 C563 A568 K572	F539-N543 VanDerWaalsContact O-CB 3.29Å; F539-N543 WeakPolarHBondContact O-CB 3.19Å; F539-N543 PolarHBondContact O-N 3.08Å; N543-G550 VanDerWaalsContact OD1-CA 3.29Å; N543-G550 WeakPolarHBondContact OD1-CA 3.15Å; N543-N551 PolarHBondContact OD1-N 3Å; N543-C563 HydrophobicContact CB-CB 4.15Å; N543-C563 VanDerWaalsContact O-CB 3.27Å; N543-C563 WeakPolarHBondContact O-CB 3.36Å; N543-C563 PolarHBondContact O-N 2.79Å; N543-C563 PolarHBondContact O-SG 3.27Å; N543-A568 HydrophobicContact CB-CB 4.32Å; N543-A568 PolarHBondContact ND2-O 2.94Å; N543-K572 PolarHBondContact ND2-O 3.36Å; N543-K572 WeakPolarHBondContact OD1-CB 3.42Å; N543-K572 PolarHBondContact OD1-N 2.98Å; N543-K572 PolarHBondContact OD1-O 3.01Å
544	V	96.6	Very high	93.5	Very high	45 Å²	45	33.1 Å²	33.1	27%	0.273	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-13.1	172.4	-57	0	0	0	0	113.1	E540 Y541 E542 G546 K562 V565	E540-V544 WeakPolarHBondContact O-CG1 3.41Å; E540-V544 VanDerWaalsContact O-CG2 3.25Å; E540-V544 WeakPolarHBondContact O-CG2 3.3Å; Y541-V544 WeakPolarHBondContact O-CG2 3.29Å; E542-V544 PolarHBondContact O-N 2.8Å; E542-V544 VanDerWaalsContact O-N 3.13Å; V544-G546 VanDerWaalsContact C-N 3.35Å; V544-K562 WeakPolarHBondContact O-CG 3.38Å; V544-V565 HydrophobicContact CG1-CG2 4.37Å
545	K	95.4	Very high	92.2	Very high	53 Å²	53	35.4 Å²	35.4	23%	0.23	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-40.9	177.4	-66.6	178	-174.1	172.3	0	110.9	Y541 E542 K562 E592	Y541-K545 WeakPolarHBondContact O-CG 3.29Å; E542-K545 VanDerWaalsContact O-CB 3.26Å; E542-K545 WeakPolarHBondContact O-CB 3.09Å; E542-K545 WeakPolarHBondContact O-CG 3.33Å; E542-K545 PolarHBondContact O-N 2.73Å; E542-K545 WeakPolarHBondContact OE1-CE 3.29Å; E542-K545 IonicContact OE1-NZ 2.77Å; E542-K545 PolarHBondContact OE1-NZ 2.93Å; E542-K545 WeakPolarHBondContact OE2-CD 3.17Å; E542-K545 VanDerWaalsContact OE2-CE 3.3Å; E542-K545 WeakPolarHBondContact OE2-CE 3.45Å; E542-K545 IonicContact OE2-NZ 3.42Å; E542-K545 PolarHBondContact OE2-NZ 2.86Å; K545-K562 WeakPolarHBondContact O-CE 3.04Å; K545-K562 PolarHBondContact O-NZ 2.77Å; K545-E592 IonicContact NZ-OE1 2.67Å
546	G	92.3	Very high	90.3	Very high	19 Å²	19	34.3 Å²	34.3	20%	0.196	18%	0.184	C	C	.	.			trans	69.5	58.5	-173.2	0	0	0	0	0	110.2	V544 G550 Y560	V544-G546 VanDerWaalsContact C-N 3.35Å; G546-G550 VanDerWaalsContact CA-O 3.25Å; G546-G550 WeakPolarHBondContact CA-O 3.46Å; G546-G550 PolarHBondContact N-O 2.72Å; G546-Y560 VanDerWaalsContact C-CB 3.49Å; G546-Y560 WeakPolarHBondContact O-CB 3.14Å
547	N	91.3	Very high	88.7	Confident	52 Å²	52	36.5 Å²	36.5	28%	0.278	20%	0.204	S	C	.	.	B	Isolated β-bridge	trans	-131.9	-179.8	173.7	69.2	13.2	0	0	0	109.7	F549 G550 N551	N547-F549 VanDerWaalsContact C-N 3.31Å; N547-F549 PolarHBondContact O-N 3.01Å; N547-F549 PolarHBondContact OD1-N 2.85Å; N547-G550 PolarHBondContact N-O 2.84Å; N547-G550 CarbonylContact O-C 3.42Å; N547-G550 PolarHBondContact O-N 3.09Å; N547-G550 VanDerWaalsContact O-N 3.12Å; N547-G550 PolarHBondContact OD1-N 3.37Å; N547-N551 WeakPolarHBondContact O-CB 3.48Å; N547-N551 PolarHBondContact O-ND2 3.32Å
548	V	88.3	Confident	87.2	Confident	32 Å²	32	36.1 Å²	36.1	19%	0.194	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-44.3	-177.9	62.3	0	0	0	0	113	N551 Y560 K572 D603	V548-N551 PolarHBondContact O-ND2 3.06Å; V548-Y560 HydrophobicContact CB-CE1 4.34Å; V548-Y560 HydrophobicContact CB-CE2 3.96Å; V548-K572 WeakPolarHBondContact O-CE 3.49Å; V548-D603 HydrophobicContact CG2-CB 3.78Å; V548-D603 VanDerWaalsContact CG2-OD1 3.22Å; V548-D603 WeakPolarHBondContact CG2-OD1 3.29Å; V548-D603 WeakPolarHBondContact CG2-OD2 3.48Å
549	F	92.5	Very high	86.4	Confident	35 Å²	35	37.3 Å²	37.3	15%	0.154	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-3.2	-178.3	-54.4	-66.2	0	0	0	115.4	N547 K572 Q574 Q588 N601 D603	N547-F549 VanDerWaalsContact C-N 3.31Å; N547-F549 PolarHBondContact O-N 3.01Å; N547-F549 PolarHBondContact OD1-N 2.85Å; F549-K572 WeakPolarHBondContact O-CB 3.47Å; F549-Q574 PolarHBondContact O-NE2 2.77Å; F549-Q574 VanDerWaalsContact O-NE2 3.09Å; F549-Q588 HydrophobicContact CE1-CB 4.17Å; F549-Q588 HydrophobicContact CZ-CB 4.13Å; F549-N601 WeakPolarHBondContact CA-OD1 3.02Å; F549-N601 HydrophobicContact CB-CB 4.36Å; F549-N601 PolarHBondContact O-OD1 2.83Å; F549-D603 HydrophobicContact CD1-CB 3.74Å; F549-D603 HydrophobicContact CE1-CB 3.51Å
550	G	94.2	Very high	85.9	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-159.3	92.8	-170	0	0	0	0	0	113.3	E542 N543 G546 N547	E542-G550 CarbonylContact O-C 3.49Å; E542-G550 WeakPolarHBondContact O-CA 3.33Å; N543-G550 VanDerWaalsContact OD1-CA 3.29Å; N543-G550 WeakPolarHBondContact OD1-CA 3.15Å; G546-G550 VanDerWaalsContact CA-O 3.25Å; G546-G550 WeakPolarHBondContact CA-O 3.46Å; G546-G550 PolarHBondContact N-O 2.72Å; N547-G550 PolarHBondContact N-O 2.84Å; N547-G550 CarbonylContact O-C 3.42Å; N547-G550 PolarHBondContact O-N 3.09Å; N547-G550 VanDerWaalsContact O-N 3.12Å; N547-G550 PolarHBondContact OD1-N 3.37Å
551	N	94.4	Very high	85.6	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.239	C	C	.	.			trans	-163.6	173.1	-178.3	73	79	0	0	0	112.7	N543 N547 V548 G553 Y560 I561 G571 K572 Y615	N543-N551 PolarHBondContact OD1-N 3Å; N547-N551 WeakPolarHBondContact O-CB 3.48Å; N547-N551 PolarHBondContact O-ND2 3.32Å; V548-N551 PolarHBondContact O-ND2 3.06Å; N551-G553 WeakPolarHBondContact OD1-CA 2.98Å; N551-G553 PolarHBondContact OD1-N 2.8Å; N551-G553 PolarHBondContact OD1-O 2.97Å; N551-Y560 HydrophobicContact CB-CD1 4.3Å; N551-Y560 HydrophobicContact CB-CG 4.48Å; N551-Y560 VanDerWaalsContact ND2-CD1 3.35Å; N551-Y560 WeakPolarHBondContact ND2-CD1 3.38Å; N551-I561 CarbonylContact C-O 3.56Å; N551-I561 WeakPolarHBondContact CA-O 3.36Å; N551-I561 VanDerWaalsContact CB-O 3.32Å; N551-I561 WeakPolarHBondContact CB-O 3.41Å; N551-G571 CarbonylContact O-C 3.47Å; N551-G571 WeakPolarHBondContact O-CA 3.46Å; N551-K572 PolarHBondContact O-N 2.92Å; N551-K572 VanDerWaalsContact O-N 3.14Å; N551-Y615 PolarHBondContact ND2-OH 3.48Å; N551-Y615 VanDerWaalsContact OD1-CE1 3.23Å; N551-Y615 WeakPolarHBondContact OD1-CE1 3.12Å; N551-Y615 PolarHBondContact OD1-OH 3.26Å
552	C	92.5	Very high	85.6	Confident	12 Å²	12	42.1 Å²	42.1	8%	0.081	25%	0.246	C	C	.	.	S	Bend	trans	-112.1	50.7	175.9	-87.7	0	0	0	0	111.7	I561 C563 F631	C552-I561 HydrophobicContact CB-CG2 4.49Å; C552-I561 PolarHBondContact N-O 3.33Å; C552-C563 VanDerWaalsContact CA-SG 3.52Å; C552-C563 HydrophobicContact CB-CB 4.03Å; C552-C563 WeakPolarHBondContact CB-SG 3.48Å; C552-C563 PolarHBondContact N-SG 3.07Å; C552-C563 VanDerWaalsContact SG-CA 3.52Å; C552-C563 WeakPolarHBondContact SG-CB 3.22Å; C552-C563 CovalentContact SG-SG 2.02Å; C552-C563 PolarHBondContact SG-SG 2.75Å; C552-F631 HydrophobicContact CB-CB 3.95Å
553	G	84.3	Confident	85.7	Confident	3 Å²	3	42.5 Å²	42.5	3%	0.031	25%	0.249	C	C	.	.			trans	95.1	179.1	-178	0	0	0	0	0	113.8	N551 I561	N551-G553 WeakPolarHBondContact OD1-CA 2.98Å; N551-G553 PolarHBondContact OD1-N 2.8Å; N551-G553 PolarHBondContact OD1-O 2.97Å; G553-I561 VanDerWaalsContact O-CB 3.3Å; G553-I561 WeakPolarHBondContact O-CB 3.5Å; G553-I561 WeakPolarHBondContact O-CG1 3.33Å; G553-I561 PolarHBondContact O-N 3.08Å
554	I	76	Confident	85.6	Confident	45 Å²	45	46.4 Å²	46.4	23%	0.231	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-117.6	140.5	-171.5	-48.5	178.7	0	0	0	109.4	G559 Y560 T608	I554-G559 CarbonylContact C-O 3.5Å; I554-G559 WeakPolarHBondContact CA-O 3.46Å; I554-Y560 HydrophobicContact CD1-CE1 4.01Å; I554-Y560 HydrophobicContact CG1-CD1 4.06Å; I554-Y560 HydrophobicContact CG1-CE1 4.04Å; I554-T608 HydrophobicContact CG2-CG2 4.41Å
555	T	69.2	Low	85.5	Confident	51 Å²	51	48.9 Å²	48.9	31%	0.313	29%	0.288	S	S	.	.			trans	-77.3	166.7	174.4	69.1	0	0	0	0	111.7	S557 G558 G559 I561	T555-S557 PolarHBondContact O-N 2.85Å; T555-S557 PolarHBondContact OG1-N 2.89Å; T555-S557 PolarHBondContact OG1-OG 2.74Å; T555-G558 PolarHBondContact O-N 2.8Å; T555-G559 WeakPolarHBondContact CG2-O 3.46Å; T555-G559 PolarHBondContact N-O 2.93Å; T555-G559 WeakPolarHBondContact OG1-CA 3.29Å; T555-G559 PolarHBondContact OG1-N 2.75Å; T555-G559 PolarHBondContact OG1-O 2.79Å; T555-I561 HydrophobicContact CG2-CD1 4.19Å; T555-I561 HydrophobicContact CG2-CG1 3.64Å
556	S	56	Low	85.4	Confident	74 Å²	74	50 Å²	50	52%	0.517	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-8.6	174.8	54.2	0	0	0	0	115.9	S274	S274-S556 VanDerWaalsContact CB-CB 3.49Å
557	S	63.3	Low	85.7	Confident	105 Å²	105	50.9 Å²	50.9	73%	0.734	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	14.7	175.8	68.9	0	0	0	0	113	T555 G559	T555-S557 PolarHBondContact O-N 2.85Å; T555-S557 PolarHBondContact OG1-N 2.89Å; T555-S557 PolarHBondContact OG1-OG 2.74Å; S557-G559 VanDerWaalsContact C-N 3.26Å; S557-G559 PolarHBondContact O-N 2.94Å
558	G	65.6	Low	85.9	Confident	33 Å²	33	48.4 Å²	48.4	34%	0.34	29%	0.294	S	S	.	.	S	Bend	trans	72.1	13.7	-175	0	0	0	0	0	114.7	T555	T555-G558 PolarHBondContact O-N 2.8Å
559	G	78.6	Confident	86.4	Confident	26 Å²	26	48.7 Å²	48.7	27%	0.268	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-88.4	140.1	179.8	0	0	0	0	0	112.2	I554 T555 S557	I554-G559 CarbonylContact C-O 3.5Å; I554-G559 WeakPolarHBondContact CA-O 3.46Å; T555-G559 WeakPolarHBondContact CG2-O 3.46Å; T555-G559 PolarHBondContact N-O 2.93Å; T555-G559 WeakPolarHBondContact OG1-CA 3.29Å; T555-G559 PolarHBondContact OG1-N 2.75Å; T555-G559 PolarHBondContact OG1-O 2.79Å; S557-G559 VanDerWaalsContact C-N 3.26Å; S557-G559 PolarHBondContact O-N 2.94Å
560	Y	88.2	Confident	86.6	Confident	83 Å²	83	47.1 Å²	47.1	33%	0.325	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-78.6	130.3	-179.4	-63.2	-70	0	0	0	112.7	G546 V548 N551 I554	G546-Y560 VanDerWaalsContact C-CB 3.49Å; G546-Y560 WeakPolarHBondContact O-CB 3.14Å; V548-Y560 HydrophobicContact CB-CE1 4.34Å; V548-Y560 HydrophobicContact CB-CE2 3.96Å; N551-Y560 HydrophobicContact CB-CD1 4.3Å; N551-Y560 HydrophobicContact CB-CG 4.48Å; N551-Y560 VanDerWaalsContact ND2-CD1 3.35Å; N551-Y560 WeakPolarHBondContact ND2-CD1 3.38Å; I554-Y560 HydrophobicContact CD1-CE1 4.01Å; I554-Y560 HydrophobicContact CG1-CD1 4.06Å; I554-Y560 HydrophobicContact CG1-CE1 4.04Å
561	I	89.8	Confident	86.6	Confident	72 Å²	72	47.1 Å²	47.1	37%	0.369	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-81.7	119.8	179.8	-58.9	174.3	0	0	0	109	N551 C552 G553 T555 C563	N551-I561 CarbonylContact C-O 3.56Å; N551-I561 WeakPolarHBondContact CA-O 3.36Å; N551-I561 VanDerWaalsContact CB-O 3.32Å; N551-I561 WeakPolarHBondContact CB-O 3.41Å; C552-I561 HydrophobicContact CB-CG2 4.49Å; C552-I561 PolarHBondContact N-O 3.33Å; G553-I561 VanDerWaalsContact O-CB 3.3Å; G553-I561 WeakPolarHBondContact O-CB 3.5Å; G553-I561 WeakPolarHBondContact O-CG1 3.33Å; G553-I561 PolarHBondContact O-N 3.08Å; T555-I561 HydrophobicContact CG2-CD1 4.19Å; T555-I561 HydrophobicContact CG2-CG1 3.64Å; I561-C563 PolarHBondContact O-N 3.04Å
562	K	96	Very high	86.6	Confident	142 Å²	142	47.1 Å²	47.1	62%	0.617	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-65.3	129.2	173.3	-66.1	177.4	-173.8	-102.1	0	110.2	V544 K545	V544-K562 WeakPolarHBondContact O-CG 3.38Å; K545-K562 WeakPolarHBondContact O-CE 3.04Å; K545-K562 PolarHBondContact O-NZ 2.77Å
563	C	96.9	Very high	86.8	Confident	11 Å²	11	46.6 Å²	46.6	7%	0.074	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-66.2	151.3	167.9	-64.4	0	0	0	0	111	N543 C552 I561 A568	N543-C563 HydrophobicContact CB-CB 4.15Å; N543-C563 VanDerWaalsContact O-CB 3.27Å; N543-C563 WeakPolarHBondContact O-CB 3.36Å; N543-C563 PolarHBondContact O-N 2.79Å; N543-C563 PolarHBondContact O-SG 3.27Å; C552-C563 VanDerWaalsContact CA-SG 3.52Å; C552-C563 HydrophobicContact CB-CB 4.03Å; C552-C563 WeakPolarHBondContact CB-SG 3.48Å; C552-C563 PolarHBondContact N-SG 3.07Å; C552-C563 VanDerWaalsContact SG-CA 3.52Å; C552-C563 WeakPolarHBondContact SG-CB 3.22Å; C552-C563 CovalentContact SG-SG 2.02Å; C552-C563 PolarHBondContact SG-SG 2.75Å; I561-C563 PolarHBondContact O-N 3.04Å; C563-A568 HydrophobicContact CB-CB 4.43Å
564	T	96.6	Very high	87.4	Confident	82 Å²	82	46.5 Å²	46.5	50%	0.503	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-77	155.6	154.9	61.2	0	0	0	0	108.8	A566 N567 A568	T564-A566 PolarHBondContact O-N 3.15Å; T564-N567 CarbonylContact O-C 3.49Å; T564-N567 PolarHBondContact O-N 3.16Å; T564-N567 PolarHBondContact OG1-N 2.9Å; T564-N567 PolarHBondContact OG1-ND2 2.91Å; T564-A568 PolarHBondContact O-N 2.73Å
565	V	93.5	Very high	88.4	Confident	97 Å²	97	44.4 Å²	44.4	59%	0.588	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-54.1	-41.9	178.3	-178.3	0	0	0	0	111.5	E540 V544 N567 A568	E540-V565 HydrophobicContact CG-CG1 4.34Å; V544-V565 HydrophobicContact CG1-CG2 4.37Å; V565-N567 PolarHBondContact O-N 3.37Å; V565-A568 VanDerWaalsContact O-CB 3.31Å; V565-A568 WeakPolarHBondContact O-CB 3.23Å; V565-A568 PolarHBondContact O-N 3.04Å; V565-A568 VanDerWaalsContact O-N 3.16Å
566	A	94.6	Very high	89.6	Confident	75 Å²	75	44 Å²	44	62%	0.62	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-62.4	-25	177.1	0	0	0	0	0	114.4	T564 C633	T564-A566 PolarHBondContact O-N 3.15Å; A566-C633 WeakPolarHBondContact O-CB 3.28Å
567	N	97.1	Very high	91.4	Very high	38 Å²	38	45.5 Å²	45.5	20%	0.203	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-102.9	-3.1	178.1	-68.9	-25.2	0	0	0	113	T564 V565 K569 C570 K632 C633	T564-N567 CarbonylContact O-C 3.49Å; T564-N567 PolarHBondContact O-N 3.16Å; T564-N567 PolarHBondContact OG1-N 2.9Å; T564-N567 PolarHBondContact OG1-ND2 2.91Å; V565-N567 PolarHBondContact O-N 3.37Å; N567-K569 PolarHBondContact O-N 2.9Å; N567-K569 VanDerWaalsContact O-N 3.1Å; N567-C570 WeakPolarHBondContact O-CA 3.02Å; N567-C570 PolarHBondContact O-N 3.14Å; N567-K632 WeakPolarHBondContact OD1-CA 3.36Å; N567-C633 PolarHBondContact OD1-N 2.82Å
568	A	97.1	Very high	92.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-59.4	-29.5	-171.9	0	0	0	0	0	113.1	E540 N543 C563 T564 V565 C570 G571	E540-A568 HydrophobicContact CG-CB 4.4Å; N543-A568 HydrophobicContact CB-CB 4.32Å; N543-A568 PolarHBondContact ND2-O 2.94Å; C563-A568 HydrophobicContact CB-CB 4.43Å; T564-A568 PolarHBondContact O-N 2.73Å; V565-A568 VanDerWaalsContact O-CB 3.31Å; V565-A568 WeakPolarHBondContact O-CB 3.23Å; V565-A568 PolarHBondContact O-N 3.04Å; V565-A568 VanDerWaalsContact O-N 3.16Å; A568-C570 PolarHBondContact O-N 3.34Å; A568-G571 PolarHBondContact O-N 2.92Å
569	K	97.4	Very high	93.5	Very high	39 Å²	39	43 Å²	43	17%	0.17	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-75.3	0.4	174.6	-71.5	175.6	175	178.3	0	115	Y519 D536 F539 N567 C622 C628	Y519-K569 WeakPolarHBondContact CE1-O 3.21Å; Y519-K569 PolarHBondContact OH-O 3.31Å; D536-K569 WeakPolarHBondContact OD1-CE 3.44Å; D536-K569 IonicContact OD1-NZ 2.76Å; D536-K569 PolarHBondContact OD1-NZ 3.12Å; D536-K569 VanDerWaalsContact OD2-CE 3.32Å; D536-K569 WeakPolarHBondContact OD2-CE 3.19Å; D536-K569 IonicContact OD2-NZ 2.64Å; D536-K569 PolarHBondContact OD2-NZ 2.9Å; F539-K569 HydrophobicContact CB-CG 4.1Å; F539-K569 HydrophobicContact CG-CG 4.36Å; N567-K569 PolarHBondContact O-N 2.9Å; N567-K569 VanDerWaalsContact O-N 3.1Å; K569-C622 HydrophobicContact CB-CB 4.04Å; K569-C622 WeakPolarHBondContact CD-O 3.38Å; K569-C628 PolarHBondContact O-SG 3.06Å
570	C	96.8	Very high	93.5	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.014	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-120.2	12.2	176.6	-56.9	0	0	0	0	113.3	N567 A568 C628 F631	N567-C570 WeakPolarHBondContact O-CA 3.02Å; N567-C570 PolarHBondContact O-N 3.14Å; A568-C570 PolarHBondContact O-N 3.34Å; C570-C628 WeakPolarHBondContact CA-SG 3.36Å; C570-C628 HydrophobicContact CB-CB 3.71Å; C570-C628 WeakPolarHBondContact CB-SG 3.33Å; C570-C628 WeakPolarHBondContact SG-CA 3.24Å; C570-C628 WeakPolarHBondContact SG-CB 3.48Å; C570-C628 CovalentContact SG-SG 2.04Å; C570-C628 PolarHBondContact SG-SG 2.91Å; C570-F631 WeakPolarHBondContact O-CA 2.99Å
571	G	95.2	Very high	93	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-85.7	-136.3	173	0	0	0	0	0	112.8	N551 A568 V616	N551-G571 CarbonylContact O-C 3.47Å; N551-G571 WeakPolarHBondContact O-CA 3.46Å; A568-G571 PolarHBondContact O-N 2.92Å; G571-V616 WeakPolarHBondContact O-CG2 3.23Å; G571-V616 PolarHBondContact O-N 2.92Å
572	K	94.4	Very high	92	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-66.3	138.9	167.5	-78.2	-79.7	-145	163	0	110.8	N543 V548 F549 N551 A602 D603 D612 A614 Y615	N543-K572 PolarHBondContact ND2-O 3.36Å; N543-K572 WeakPolarHBondContact OD1-CB 3.42Å; N543-K572 PolarHBondContact OD1-N 2.98Å; N543-K572 PolarHBondContact OD1-O 3.01Å; V548-K572 WeakPolarHBondContact O-CE 3.49Å; F549-K572 WeakPolarHBondContact O-CB 3.47Å; N551-K572 PolarHBondContact O-N 2.92Å; N551-K572 VanDerWaalsContact O-N 3.14Å; K572-A602 PolarHBondContact NZ-O 2.85Å; K572-D603 WeakPolarHBondContact CE-OD1 3.44Å; K572-D603 IonicContact NZ-OD1 3.87Å; K572-D603 PolarHBondContact NZ-OD1 2.92Å; K572-D612 IonicContact NZ-OD1 3.8Å; K572-D612 PolarHBondContact NZ-OD1 2.79Å; K572-D612 VanDerWaalsContact NZ-OD1 3.08Å; K572-D612 IonicContact NZ-OD2 2.67Å; K572-D612 PolarHBondContact NZ-OD2 3.34Å; K572-A614 CarbonylContact C-O 3.52Å; K572-A614 VanDerWaalsContact CA-O 3.29Å; K572-A614 WeakPolarHBondContact CA-O 3.22Å; K572-A614 HydrophobicContact CD-CB 4.28Å; K572-A614 VanDerWaalsContact CD-O 3.29Å; K572-A614 WeakPolarHBondContact CD-O 3.31Å; K572-Y615 HydrophobicContact CD-CD1 4.22Å; K572-Y615 HydrophobicContact CD-CD2 4.48Å; K572-Y615 HydrophobicContact CD-CE1 4.15Å; K572-Y615 HydrophobicContact CD-CE2 4.43Å; K572-Y615 HydrophobicContact CD-CG 4.39Å; K572-Y615 HydrophobicContact CG-CD1 4.17Å; K572-Y615 HydrophobicContact CG-CE1 3.93Å
573	V	95.8	Very high	90.6	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.266	C	S	.	.			trans	-72.1	132.3	177.1	73.4	0	0	0	0	110.4	Y519 L526 F539 N601 A614 V616	Y519-V573 HydrophobicContact CD1-CG2 4.14Å; L526-V573 HydrophobicContact CD1-CG1 3.57Å; F539-V573 HydrophobicContact CE1-CG2 4.36Å; F539-V573 HydrophobicContact CZ-CG2 4.39Å; V573-N601 PolarHBondContact O-ND2 3.07Å; V573-A614 HydrophobicContact CG1-CB 4.06Å; V573-A614 WeakPolarHBondContact CG1-O 3.3Å; V573-A614 PolarHBondContact N-O 3.21Å; V573-V616 HydrophobicContact CB-CG2 3.96Å; V573-V616 HydrophobicContact CG2-CG2 4.32Å
574	Q	97.1	Very high	89	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.009	27%	0.268	C	S	.	.			trans	-108.5	123.8	177.2	-56	-61.1	-35.9	0	0	109	A534 C538 F539 F549	A534-Q574 HydrophobicContact CB-CB 4.01Å; A534-Q574 WeakPolarHBondContact CB-O 3.18Å; A534-Q574 PolarHBondContact N-O 3.29Å; C538-Q574 HydrophobicContact CB-CB 3.77Å; C538-Q574 HydrophobicContact CB-CG 4.11Å; F539-Q574 HydrophobicContact CD1-CB 4.32Å; F539-Q574 HydrophobicContact CD1-CG 4.11Å; F539-Q574 HydrophobicContact CD2-CB 3.98Å; F539-Q574 HydrophobicContact CD2-CG 4.32Å; F539-Q574 HydrophobicContact CE1-CB 4.19Å; F539-Q574 HydrophobicContact CE1-CG 4.37Å; F539-Q574 HydrophobicContact CE2-CB 3.8Å; F539-Q574 HydrophobicContact CG-CB 4.23Å; F539-Q574 HydrophobicContact CG-CG 4.1Å; F539-Q574 HydrophobicContact CZ-CB 3.92Å; F539-Q574 WeakPolarHBondContact CZ-O 3.42Å; F549-Q574 PolarHBondContact O-NE2 2.77Å; F549-Q574 VanDerWaalsContact O-NE2 3.09Å
575	C	96.6	Very high	87	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	163.4	-173.9	-59.2	0	0	0	0	111.6	C523 F527 K532 V578 I600	C523-C575 VanDerWaalsContact CA-SG 3.5Å; C523-C575 HydrophobicContact CB-CB 3.81Å; C523-C575 WeakPolarHBondContact CB-SG 3.02Å; C523-C575 VanDerWaalsContact SG-CA 3.53Å; C523-C575 WeakPolarHBondContact SG-CB 3.4Å; C523-C575 CovalentContact SG-SG 2.04Å; C523-C575 PolarHBondContact SG-SG 3.36Å; F527-C575 HydrophobicContact CD2-CB 3.92Å; F527-C575 HydrophobicContact CE2-CB 3.78Å; K532-C575 CarbonylContact O-C 3.43Å; K532-C575 WeakPolarHBondContact O-CA 3.42Å; K532-C575 WeakPolarHBondContact O-CB 3.24Å; C575-V578 HydrophobicContact CB-CG2 4.22Å; C575-I600 PolarHBondContact N-O 3.15Å; C575-I600 WeakPolarHBondContact O-CA 3.24Å; C575-I600 VanDerWaalsContact O-CB 3.3Å; C575-I600 WeakPolarHBondContact O-CB 3.12Å; C575-I600 PolarHBondContact O-N 3.48Å
576	T	95.9	Very high	85.4	Confident	43 Å²	43	46.8 Å²	46.8	26%	0.264	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	171.8	174.6	-161.4	0	0	0	0	110.4	A531 K532 K533 V578 K598	A531-T576 WeakPolarHBondContact CA-O 3.27Å; K532-T576 HydrophobicContact CB-CG2 4.47Å; K532-T576 PolarHBondContact N-O 3.34Å; K532-T576 PolarHBondContact O-N 2.83Å; K533-T576 WeakPolarHBondContact O-CG2 3.03Å; T576-V578 PolarHBondContact O-N 2.89Å; T576-K598 PolarHBondContact OG1-O 2.03Å
577	N	92.6	Very high	84.2	Confident	106 Å²	106	43.8 Å²	43.8	57%	0.567	26%	0.264	S	S	*	.	S	Bend	trans	54	36.8	-176.5	-161.8	56.9	0	0	0	114.1	G530 A531	G530-N577 CarbonylContact C-O 3.39Å; G530-N577 PolarHBondContact O-ND2 3.09Å; A531-N577 PolarHBondContact N-O 3.5Å
578	V	88.3	Confident	83.5	Confident	15 Å²	15	47 Å²	47	9%	0.091	28%	0.277	C	S	.	.			trans	-80	136.7	176.8	170.2	0	0	0	0	110.9	F527 A531 C575 T576 L580 I600	F527-V578 HydrophobicContact CB-CB 4.36Å; F527-V578 HydrophobicContact CB-CG1 3.94Å; F527-V578 HydrophobicContact CB-CG2 3.8Å; F527-V578 HydrophobicContact CD1-CB 4.23Å; F527-V578 HydrophobicContact CD1-CG1 3.32Å; F527-V578 HydrophobicContact CD1-CG2 3.84Å; F527-V578 HydrophobicContact CD2-CG2 3.75Å; F527-V578 HydrophobicContact CE1-CG1 3.9Å; F527-V578 HydrophobicContact CE1-CG2 4.26Å; F527-V578 HydrophobicContact CE2-CG2 4.2Å; F527-V578 HydrophobicContact CG-CB 4.28Å; F527-V578 HydrophobicContact CG-CG1 3.78Å; F527-V578 HydrophobicContact CG-CG2 3.53Å; F527-V578 HydrophobicContact CZ-CG2 4.42Å; A531-V578 HydrophobicContact CB-CG2 4.13Å; C575-V578 HydrophobicContact CB-CG2 4.22Å; T576-V578 PolarHBondContact O-N 2.89Å; V578-L580 HydrophobicContact CG1-CD2 4.07Å; V578-L580 PolarHBondContact O-N 2.86Å; V578-I600 HydrophobicContact CB-CD1 3.79Å; V578-I600 HydrophobicContact CB-CG2 4.32Å; V578-I600 HydrophobicContact CG1-CG2 4.49Å; V578-I600 HydrophobicContact CG2-CB 4.25Å; V578-I600 HydrophobicContact CG2-CD1 3.99Å; V578-I600 HydrophobicContact CG2-CG2 4.05Å
579	D	84.1	Confident	83.1	Confident	71 Å²	71	48.9 Å²	48.9	38%	0.38	29%	0.287	S	S	.	.			trans	-78.4	107.2	165.8	-176.3	5.8	0	0	0	110.3	N581 N582 H583	D579-N581 PolarHBondContact O-N 3.03Å; D579-N581 WeakPolarHBondContact OD1-CB 3.48Å; D579-N581 PolarHBondContact OD1-N 2.95Å; D579-N581 PolarHBondContact OD1-ND2 3.1Å; D579-N582 CarbonylContact O-C 3.55Å; D579-N582 PolarHBondContact O-N 3.21Å; D579-H583 PolarHBondContact O-N 3.09Å
580	L	80.4	Confident	82.8	Confident	65 Å²	65	47.9 Å²	47.9	34%	0.34	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-73.8	-14.5	-178.2	-60.4	173.9	0	0	0	113.2	V578 N582 I589 I591	V578-L580 HydrophobicContact CG1-CD2 4.07Å; V578-L580 PolarHBondContact O-N 2.86Å; L580-N582 VanDerWaalsContact C-N 3.35Å; L580-I589 HydrophobicContact CD2-CG2 4.22Å; L580-I591 HydrophobicContact CD1-CD1 3.55Å; L580-I591 HydrophobicContact CD2-CD1 3.7Å; L580-I591 HydrophobicContact CD2-CG1 4.43Å; L580-I591 HydrophobicContact CG-CD1 4.29Å
581	N	76.1	Confident	82.7	Confident	154 Å²	154	51.4 Å²	51.4	82%	0.824	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-83.1	-16.8	176.6	-49.8	-75.1	0	0	0	112.3	D579	D579-N581 PolarHBondContact O-N 3.03Å; D579-N581 WeakPolarHBondContact OD1-CB 3.48Å; D579-N581 PolarHBondContact OD1-N 2.95Å; D579-N581 PolarHBondContact OD1-ND2 3.1Å
582	N	68.4	Low	82.6	Confident	98 Å²	98	55.4 Å²	55.4	52%	0.524	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-132.5	42.2	-177	-169.1	71.3	0	0	0	110.5	D579 L580	D579-N582 CarbonylContact O-C 3.55Å; D579-N582 PolarHBondContact O-N 3.21Å; L580-N582 VanDerWaalsContact C-N 3.35Å
583	H	67.6	Low	82.5	Confident	89 Å²	89	61.3 Å²	61.3	41%	0.412	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-68.2	162.5	173.4	65.6	17.2	0	0	0	111.5	D579 A585 I589	D579-H583 PolarHBondContact O-N 3.09Å; H583-A585 PolarHBondContact O-N 2.89Å; H583-I589 HydrophobicContact CB-CD1 4.26Å; H583-I589 HydrophobicContact CB-CG1 4.05Å
584	P	62.8	Low	82.4	Confident	20 Å²	20	61.7 Å²	61.7	13%	0.13	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-57.3	133.5	179.1	-23.3	34.2	0	0	0	112.5	L526 F527 G586 A587 F604	L526-P584 VanDerWaalsContact O-CG 3.31Å; L526-P584 WeakPolarHBondContact O-CG 3.22Å; F527-P584 HydrophobicContact CD1-CG 4.41Å; P584-G586 PolarHBondContact O-N 2.04Å; P584-A587 HydrophobicContact CB-CB 3.99Å; P584-A587 HydrophobicContact CG-CB 4.5Å; P584-A587 PolarHBondContact O-N 3.47Å; P584-F604 HydrophobicContact CB-CD1 4.46Å; P584-F604 HydrophobicContact CB-CE1 3.4Å; P584-F604 VanDerWaalsContact CB-CE1 3.4Å; P584-F604 HydrophobicContact CB-CZ 3.56Å; P584-F604 HydrophobicContact CG-CE1 4.15Å; P584-F604 HydrophobicContact CG-CZ 3.76Å
585	A	54.3	Low	82.1	Confident	96 Å²	96	69.8 Å²	69.8	79%	0.793	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	136.2	174.1	0	0	0	0	0	110.2	H583 A587	H583-A585 PolarHBondContact O-N 2.89Å; A585-A587 VanDerWaalsContact C-N 3.29Å; A585-A587 PolarHBondContact O-N 3.31Å
586	G	59.8	Low	81.8	Confident	69 Å²	69	73.1 Å²	73.1	71%	0.711	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	-10.5	-176.9	0	0	0	0	0	115.6	P584	P584-G586 PolarHBondContact O-N 2.04Å
587	A	70.6	Confident	81.7	Confident	13 Å²	13	71.9 Å²	71.9	11%	0.107	42%	0.42	C	S	.	.			trans	-88.2	131.6	-178.9	0	0	0	0	0	113.9	P584 A585 I589 A602 D603 F604	P584-A587 HydrophobicContact CB-CB 3.99Å; P584-A587 HydrophobicContact CG-CB 4.5Å; P584-A587 PolarHBondContact O-N 3.47Å; A585-A587 VanDerWaalsContact C-N 3.29Å; A585-A587 PolarHBondContact O-N 3.31Å; A587-I589 HydrophobicContact CB-CD1 3.94Å; A587-A602 HydrophobicContact CB-CB 4.13Å; A587-D603 CarbonylContact C-O 3.57Å; A587-D603 VanDerWaalsContact CA-O 3.32Å; A587-D603 WeakPolarHBondContact CA-O 3.17Å; A587-F604 HydrophobicContact CB-CD1 3.97Å; A587-F604 HydrophobicContact CB-CD2 4.35Å; A587-F604 HydrophobicContact CB-CE1 4.1Å; A587-F604 HydrophobicContact CB-CE2 4.43Å; A587-F604 HydrophobicContact CB-CG 4.11Å; A587-F604 HydrophobicContact CB-CZ 4.32Å
588	Q	81.4	Confident	81.8	Confident	104 Å²	104	70.8 Å²	70.8	49%	0.486	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	132.1	160.2	-59	-170.3	24.6	0	0	109.3	F549 D603	F549-Q588 HydrophobicContact CE1-CB 4.17Å; F549-Q588 HydrophobicContact CZ-CB 4.13Å; Q588-D603 PolarHBondContact N-O 3.07Å; Q588-D603 PolarHBondContact O-N 2.96Å
589	I	88.3	Confident	82.2	Confident	41 Å²	41	70.1 Å²	70.1	21%	0.21	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	124.3	-178.3	-53.5	-48.8	0	0	0	110.2	F527 L580 H583 A587 I591 I600 N601 A602	F527-I589 HydrophobicContact CE1-CD1 3.86Å; L580-I589 HydrophobicContact CD2-CG2 4.22Å; H583-I589 HydrophobicContact CB-CD1 4.26Å; H583-I589 HydrophobicContact CB-CG1 4.05Å; A587-I589 HydrophobicContact CB-CD1 3.94Å; I589-I591 HydrophobicContact CG2-CD1 4.49Å; I589-I591 HydrophobicContact CG2-CG1 4Å; I589-I600 HydrophobicContact CG2-CG2 3.73Å; I589-N601 WeakPolarHBondContact CA-O 3.34Å; I589-A602 HydrophobicContact CD1-CB 3.79Å
590	S	92.4	Very high	82.8	Confident	18 Å²	18	66.8 Å²	66.8	13%	0.126	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	139.1	166	179.9	0	0	0	0	110.4	I600 N601	S590-I600 WeakPolarHBondContact O-CA 3.06Å; S590-N601 PolarHBondContact N-O 2.8Å; S590-N601 PolarHBondContact O-N 2.84Å; S590-N601 VanDerWaalsContact O-N 3.16Å
591	I	93.5	Very high	83.4	Confident	75 Å²	75	63.7 Å²	63.7	39%	0.385	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	107	175.6	-53.2	174.8	0	0	0	107.8	L580 I589 K598 C599 I600	L580-I591 HydrophobicContact CD1-CD1 3.55Å; L580-I591 HydrophobicContact CD2-CD1 3.7Å; L580-I591 HydrophobicContact CD2-CG1 4.43Å; L580-I591 HydrophobicContact CG-CD1 4.29Å; I589-I591 HydrophobicContact CG2-CD1 4.49Å; I589-I591 HydrophobicContact CG2-CG1 4Å; I591-K598 HydrophobicContact CG2-CD 4.47Å; I591-K598 HydrophobicContact CG2-CG 4.26Å; I591-C599 WeakPolarHBondContact CA-O 3.49Å; I591-I600 HydrophobicContact CG1-CG2 4.46Å; I591-I600 HydrophobicContact CG2-CG1 4.46Å
592	E	93	Very high	83.8	Confident	85 Å²	85	56.3 Å²	56.3	40%	0.397	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	154.4	177.2	-74.9	-75.9	-162.8	0	0	110.6	K545 V594 C599	K545-E592 IonicContact NZ-OE1 2.67Å; E592-V594 HydrophobicContact CB-CG2 4.46Å; E592-C599 HydrophobicContact CB-CB 4.36Å; E592-C599 PolarHBondContact N-O 3.4Å; E592-C599 PolarHBondContact O-N 2.04Å
593	I	93.9	Very high	84.5	Confident	124 Å²	124	52.1 Å²	52.1	64%	0.636	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	103.3	174.4	-58.8	178.9	0	0	0	108.7	S597	I593-S597 CarbonylContact C-O 3.56Å; I593-S597 WeakPolarHBondContact CA-O 3.41Å
594	V	92.7	Very high	84.5	Confident	8 Å²	8	49.2 Å²	49.2	5%	0.048	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	112	-175.8	-175.9	0	0	0	0	108.6	I537 Y541 E592 G596 S597 C599	I537-V594 HydrophobicContact CG1-CG1 3.83Å; Y541-V594 HydrophobicContact CD1-CB 4.34Å; Y541-V594 HydrophobicContact CD1-CG1 3.89Å; Y541-V594 HydrophobicContact CD1-CG2 3.43Å; Y541-V594 VanDerWaalsContact CD1-CG2 3.43Å; Y541-V594 HydrophobicContact CD2-CG1 4.23Å; Y541-V594 HydrophobicContact CE1-CG2 3.99Å; Y541-V594 HydrophobicContact CG-CG1 3.68Å; Y541-V594 HydrophobicContact CG-CG2 4.08Å; E592-V594 HydrophobicContact CB-CG2 4.46Å; V594-G596 PolarHBondContact O-N 2.92Å; V594-G596 VanDerWaalsContact O-N 3.09Å; V594-S597 PolarHBondContact N-O 3.45Å; V594-S597 WeakPolarHBondContact O-CB 3.47Å; V594-S597 PolarHBondContact O-N 3.39Å; V594-C599 VanDerWaalsContact CG2-SG 3.53Å
595	Q	91.8	Very high	84.6	Confident	171 Å²	171	50.6 Å²	50.6	80%	0.799	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	29.5	-179.6	-55.4	-174.1	19.7	0	0	114.5	I537	I537-Q595 HydrophobicContact CG1-CG 4.44Å
596	G	89.9	Confident	84.5	Confident	70 Å²	70	46.8 Å²	46.8	72%	0.722	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.5	-13.9	-177	0	0	0	0	0	114.6	V594	V594-G596 PolarHBondContact O-N 2.92Å; V594-G596 VanDerWaalsContact O-N 3.09Å
597	S	94.3	Very high	84.2	Confident	18 Å²	18	44.2 Å²	44.2	13%	0.126	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	132.5	171.5	-59.8	0	0	0	0	110.5	D535 I593 V594	D535-S597 WeakPolarHBondContact CB-OG 3.26Å; D535-S597 VanDerWaalsContact OD2-CB 3.28Å; D535-S597 WeakPolarHBondContact OD2-CB 3.05Å; D535-S597 PolarHBondContact OD2-OG 3.37Å; I593-S597 CarbonylContact C-O 3.56Å; I593-S597 WeakPolarHBondContact CA-O 3.41Å; V594-S597 PolarHBondContact N-O 3.45Å; V594-S597 WeakPolarHBondContact O-CB 3.47Å; V594-S597 PolarHBondContact O-N 3.39Å
598	K	95.1	Very high	83	Confident	83 Å²	83	46.3 Å²	46.3	36%	0.361	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	115.1	175.8	-168.6	-179	-176.9	-173.7	0	109.8	T576 I591 I600	T576-K598 PolarHBondContact OG1-O 2.03Å; I591-K598 HydrophobicContact CG2-CD 4.47Å; I591-K598 HydrophobicContact CG2-CG 4.26Å; K598-I600 HydrophobicContact CD-CD1 4.03Å; K598-I600 HydrophobicContact CD-CG1 4.38Å; K598-I600 HydrophobicContact CG-CD1 4.28Å; K598-I600 HydrophobicContact CG-CG1 4.1Å
599	C	96.2	Very high	81.2	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.007	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	116.5	-178.1	-46.9	0	0	0	0	108.8	C538 E542 I591 E592 V594	C538-C599 WeakPolarHBondContact CA-SG 3.33Å; C538-C599 HydrophobicContact CB-CB 3.59Å; C538-C599 WeakPolarHBondContact CB-SG 3.47Å; C538-C599 WeakPolarHBondContact SG-CA 3.48Å; C538-C599 WeakPolarHBondContact SG-CB 3.45Å; C538-C599 CovalentContact SG-SG 2.03Å; C538-C599 PolarHBondContact SG-SG 3.38Å; E542-C599 HydrophobicContact CG-CB 4.45Å; I591-C599 WeakPolarHBondContact CA-O 3.49Å; E592-C599 HydrophobicContact CB-CB 4.36Å; E592-C599 PolarHBondContact N-O 3.4Å; E592-C599 PolarHBondContact O-N 2.04Å; V594-C599 VanDerWaalsContact CG2-SG 3.53Å
600	I	95.4	Very high	79.3	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	124.1	-179	-50.7	176.5	0	0	0	108.8	F527 C575 V578 I589 S590 I591 K598	F527-I600 HydrophobicContact CE1-CG2 4.31Å; F527-I600 HydrophobicContact CZ-CG2 4.11Å; C575-I600 PolarHBondContact N-O 3.15Å; C575-I600 WeakPolarHBondContact O-CA 3.24Å; C575-I600 VanDerWaalsContact O-CB 3.3Å; C575-I600 WeakPolarHBondContact O-CB 3.12Å; C575-I600 PolarHBondContact O-N 3.48Å; V578-I600 HydrophobicContact CB-CD1 3.79Å; V578-I600 HydrophobicContact CB-CG2 4.32Å; V578-I600 HydrophobicContact CG1-CG2 4.49Å; V578-I600 HydrophobicContact CG2-CB 4.25Å; V578-I600 HydrophobicContact CG2-CD1 3.99Å; V578-I600 HydrophobicContact CG2-CG2 4.05Å; I589-I600 HydrophobicContact CG2-CG2 3.73Å; S590-I600 WeakPolarHBondContact O-CA 3.06Å; I591-I600 HydrophobicContact CG1-CG2 4.46Å; I591-I600 HydrophobicContact CG2-CG1 4.46Å; K598-I600 HydrophobicContact CD-CD1 4.03Å; K598-I600 HydrophobicContact CD-CG1 4.38Å; K598-I600 HydrophobicContact CG-CD1 4.28Å; K598-I600 HydrophobicContact CG-CG1 4.1Å
601	N	93.5	Very high	77.9	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	149.8	173.7	178.4	-107.3	0	0	0	109.9	F549 V573 I589 S590	F549-N601 WeakPolarHBondContact CA-OD1 3.02Å; F549-N601 HydrophobicContact CB-CB 4.36Å; F549-N601 PolarHBondContact O-OD1 2.83Å; V573-N601 PolarHBondContact O-ND2 3.07Å; I589-N601 WeakPolarHBondContact CA-O 3.34Å; S590-N601 PolarHBondContact N-O 2.8Å; S590-N601 PolarHBondContact O-N 2.84Å; S590-N601 VanDerWaalsContact O-N 3.16Å
602	A	84.9	Confident	76.8	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	137.3	168.7	0	0	0	0	0	108.2	F527 K572 A587 I589 F604 A614	F527-A602 HydrophobicContact CE1-CB 3.94Å; F527-A602 HydrophobicContact CE2-CB 4.41Å; F527-A602 HydrophobicContact CZ-CB 3.58Å; K572-A602 PolarHBondContact NZ-O 2.85Å; A587-A602 HydrophobicContact CB-CB 4.13Å; I589-A602 HydrophobicContact CD1-CB 3.79Å; A602-F604 HydrophobicContact CB-CD2 4.24Å; A602-F604 HydrophobicContact CB-CE2 3.75Å; A602-F604 HydrophobicContact CB-CZ 4.44Å; A602-A614 HydrophobicContact CB-CB 4.44Å; A602-A614 WeakPolarHBondContact O-CB 3.16Å
603	D	82.3	Confident	75.9	Confident	9 Å²	9	36.8 Å²	36.8	5%	0.048	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	119.5	159.6	-168.4	86	0	0	0	108.4	V548 F549 K572 A587 Q588 N605 D612	V548-D603 HydrophobicContact CG2-CB 3.78Å; V548-D603 VanDerWaalsContact CG2-OD1 3.22Å; V548-D603 WeakPolarHBondContact CG2-OD1 3.29Å; V548-D603 WeakPolarHBondContact CG2-OD2 3.48Å; F549-D603 HydrophobicContact CD1-CB 3.74Å; F549-D603 HydrophobicContact CE1-CB 3.51Å; K572-D603 WeakPolarHBondContact CE-OD1 3.44Å; K572-D603 IonicContact NZ-OD1 3.87Å; K572-D603 PolarHBondContact NZ-OD1 2.92Å; A587-D603 CarbonylContact C-O 3.57Å; A587-D603 VanDerWaalsContact CA-O 3.32Å; A587-D603 WeakPolarHBondContact CA-O 3.17Å; Q588-D603 PolarHBondContact N-O 3.07Å; Q588-D603 PolarHBondContact O-N 2.96Å; D603-N605 PolarHBondContact O-N 3.13Å; D603-N605 VanDerWaalsContact OD2-CA 3.22Å; D603-N605 WeakPolarHBondContact OD2-CA 3.5Å; D603-N605 PolarHBondContact OD2-N 3.46Å; D603-D612 WeakPolarHBondContact CA-OD2 3.46Å
604	F	69.1	Low	75.5	Confident	29 Å²	29	30.9 Å²	30.9	13%	0.127	18%	0.181	C	C	.	.			trans	-81	-1.5	-177.8	-71.5	-102.7	0	0	0	112	L526 P584 A587 A602 L606 D612 P613	L526-F604 HydrophobicContact CD2-CE2 3.91Å; L526-F604 HydrophobicContact CD2-CZ 3.99Å; P584-F604 HydrophobicContact CB-CD1 4.46Å; P584-F604 HydrophobicContact CB-CE1 3.4Å; P584-F604 VanDerWaalsContact CB-CE1 3.4Å; P584-F604 HydrophobicContact CB-CZ 3.56Å; P584-F604 HydrophobicContact CG-CE1 4.15Å; P584-F604 HydrophobicContact CG-CZ 3.76Å; A587-F604 HydrophobicContact CB-CD1 3.97Å; A587-F604 HydrophobicContact CB-CD2 4.35Å; A587-F604 HydrophobicContact CB-CE1 4.1Å; A587-F604 HydrophobicContact CB-CE2 4.43Å; A587-F604 HydrophobicContact CB-CG 4.11Å; A587-F604 HydrophobicContact CB-CZ 4.32Å; A602-F604 HydrophobicContact CB-CD2 4.24Å; A602-F604 HydrophobicContact CB-CE2 3.75Å; A602-F604 HydrophobicContact CB-CZ 4.44Å; F604-L606 HydrophobicContact CB-CD1 3.69Å; F604-L606 HydrophobicContact CB-CD2 3.96Å; F604-L606 HydrophobicContact CB-CG 3.48Å; F604-L606 VanDerWaalsContact CB-CG 3.48Å; F604-L606 HydrophobicContact CG-CD1 4.44Å; F604-L606 WeakPolarHBondContact O-CD2 3.39Å; F604-L606 PolarHBondContact O-N 2.8Å; F604-L606 VanDerWaalsContact O-N 3.11Å; F604-D612 PolarHBondContact N-OD2 2.96Å; F604-P613 HydrophobicContact CD2-CG 4.49Å; F604-P613 HydrophobicContact CE2-CB 4.31Å
605	N	63.8	Low	75.4	Confident	48 Å²	48	31 Å²	31	26%	0.257	18%	0.18	S	C	.	.			trans	42.7	42.7	-173.6	-160.5	23.6	0	0	0	112.6	V178 D603 G607	V178-N605 PolarHBondContact O-OD1 3.44Å; D603-N605 PolarHBondContact O-N 3.13Å; D603-N605 VanDerWaalsContact OD2-CA 3.22Å; D603-N605 WeakPolarHBondContact OD2-CA 3.5Å; D603-N605 PolarHBondContact OD2-N 3.46Å; N605-G607 PolarHBondContact O-N 3.06Å
606	L	53.6	Low	75.4	Confident	16 Å²	16	23.3 Å²	23.3	8%	0.084	15%	0.145	C	C	.	.			trans	-80.3	34.6	175.1	-47.2	172.7	0	0	0	110.1	V177 F604 V610 P613	V177-L606 HydrophobicContact CG1-CB 4.08Å; V177-L606 WeakPolarHBondContact CG1-O 3.21Å; F604-L606 HydrophobicContact CB-CD1 3.69Å; F604-L606 HydrophobicContact CB-CD2 3.96Å; F604-L606 HydrophobicContact CB-CG 3.48Å; F604-L606 VanDerWaalsContact CB-CG 3.48Å; F604-L606 HydrophobicContact CG-CD1 4.44Å; F604-L606 WeakPolarHBondContact O-CD2 3.39Å; F604-L606 PolarHBondContact O-N 2.8Å; F604-L606 VanDerWaalsContact O-N 3.11Å; L606-V610 HydrophobicContact CB-CB 3.68Å; L606-V610 HydrophobicContact CB-CG1 3.88Å; L606-V610 HydrophobicContact CB-CG2 4.4Å; L606-V610 HydrophobicContact CD1-CB 4.31Å; L606-V610 HydrophobicContact CD1-CG1 3.54Å; L606-V610 HydrophobicContact CG-CG1 4.34Å; L606-P613 HydrophobicContact CD1-CG 4.21Å
607	G	52	Low	75.3	Confident	16 Å²	16	22.3 Å²	22.3	17%	0.165	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	-139.5	-179.6	0	0	0	0	0	116.7	V178 N605	V178-G607 VanDerWaalsContact N-CA 3.27Å; V178-G607 WeakPolarHBondContact O-CA 3.45Å; V178-G607 PolarHBondContact O-N 3.47Å; N605-G607 PolarHBondContact O-N 3.06Å
608	T	46.9	Very low	74.9	Confident	56 Å²	56	24.5 Å²	24.5	34%	0.344	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	8.3	-166.8	59.9	0	0	0	0	113.5	G176 I554	G176-T608 PolarHBondContact O-N 2.97Å; G176-T608 PolarHBondContact O-OG1 2.67Å; I554-T608 HydrophobicContact CG2-CG2 4.41Å
609	D	42.1	Very low	74.7	Confident	4 Å²	4	20.5 Å²	20.5	2%	0.021	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.5	-43.1	-161	74.3	-35.2	0	0	0	114.3	C175 G176 V177 M316 L611	C175-D609 PolarHBondContact SG-OD2 3.46Å; C175-D609 VanDerWaalsContact SG-OD2 3.38Å; G176-D609 WeakPolarHBondContact CA-OD2 3.23Å; G176-D609 PolarHBondContact N-OD2 2.71Å; V177-D609 WeakPolarHBondContact CA-OD1 3.39Å; V177-D609 WeakPolarHBondContact CB-OD1 3.04Å; V177-D609 WeakPolarHBondContact CG2-OD1 3.47Å; V177-D609 WeakPolarHBondContact CG2-OD2 3.33Å; V177-D609 PolarHBondContact N-OD1 2.93Å; V177-D609 PolarHBondContact N-OD2 2.91Å; M316-D609 HydrophobicContact CB-CB 3.94Å; M316-D609 HydrophobicContact CE-CB 3.03Å; M316-D609 HydrophobicContact CG-CB 3.44Å; M316-D609 VanDerWaalsContact CG-CB 3.44Å; M316-D609 WeakPolarHBondContact CG-O 3.17Å; M316-D609 WeakPolarHBondContact SD-CA 3.46Å; M316-D609 HydrophobicContact SD-CB 3.65Å; D609-L611 PolarHBondContact O-N 3.49Å
610	V	49.9	Very low	74.6	Confident	4 Å²	4	20.5 Å²	20.5	2%	0.024	12%	0.119	C	C	.	.	S	Bend	trans	-72.3	115.9	156.2	176.4	0	0	0	0	106.5	V177 V319 L606 D612	V177-V610 HydrophobicContact CG2-CG2 3.96Å; V319-V610 HydrophobicContact CB-CG1 3.87Å; V319-V610 HydrophobicContact CG2-CB 4.21Å; V319-V610 HydrophobicContact CG2-CG1 3.41Å; V319-V610 VanDerWaalsContact CG2-CG1 3.41Å; V319-V610 HydrophobicContact CG2-CG2 3.68Å; L606-V610 HydrophobicContact CB-CB 3.68Å; L606-V610 HydrophobicContact CB-CG1 3.88Å; L606-V610 HydrophobicContact CB-CG2 4.4Å; L606-V610 HydrophobicContact CD1-CB 4.31Å; L606-V610 HydrophobicContact CD1-CG1 3.54Å; L606-V610 HydrophobicContact CG-CG1 4.34Å; V610-D612 PolarHBondContact O-N 3.33Å
611	L	63	Low	74.6	Confident	61 Å²	61	21.7 Å²	21.7	32%	0.319	13%	0.127	S	C	.	.			trans	-61.6	114.9	166.7	-176.5	68.3	0	0	0	108.4	Y318 D609 Y615 F631	Y318-L611 HydrophobicContact CD1-CB 3.67Å; Y318-L611 HydrophobicContact CD1-CD2 4.31Å; Y318-L611 HydrophobicContact CE1-CB 3.58Å; Y318-L611 HydrophobicContact CE1-CD2 3.77Å; Y318-L611 HydrophobicContact CE1-CG 4.29Å; D609-L611 PolarHBondContact O-N 3.49Å; L611-Y615 HydrophobicContact CD1-CD2 3.23Å; L611-Y615 HydrophobicContact CD1-CE2 3.56Å; L611-Y615 HydrophobicContact CD1-CG 3.84Å; L611-Y615 HydrophobicContact CG-CD2 3.72Å; L611-Y615 HydrophobicContact CG-CE2 4.42Å; L611-Y615 HydrophobicContact CG-CG 4.31Å; L611-F631 HydrophobicContact CD1-CE1 4.01Å; L611-F631 HydrophobicContact CD1-CZ 3.62Å; L611-F631 HydrophobicContact CD2-CZ 4.28Å
612	D	69.6	Low	74.7	Confident	11 Å²	11	21.9 Å²	21.9	6%	0.059	13%	0.129	C	C	.	.			trans	-51.5	128.5	-177.6	-176.2	-65.8	0	0	0	111.7	K572 D603 F604 V610 A614 Y615	K572-D612 IonicContact NZ-OD1 3.8Å; K572-D612 PolarHBondContact NZ-OD1 2.79Å; K572-D612 VanDerWaalsContact NZ-OD1 3.08Å; K572-D612 IonicContact NZ-OD2 2.67Å; K572-D612 PolarHBondContact NZ-OD2 3.34Å; D603-D612 WeakPolarHBondContact CA-OD2 3.46Å; F604-D612 PolarHBondContact N-OD2 2.96Å; V610-D612 PolarHBondContact O-N 3.33Å; D612-A614 PolarHBondContact O-N 2.99Å; D612-A614 WeakPolarHBondContact OD1-CA 3.48Å; D612-A614 WeakPolarHBondContact OD1-CB 3.45Å; D612-A614 PolarHBondContact OD1-N 2.71Å; D612-Y615 HydrophobicContact CB-CD2 3.79Å; D612-Y615 HydrophobicContact CB-CE2 3.76Å; D612-Y615 VanDerWaalsContact O-CD2 3.29Å; D612-Y615 WeakPolarHBondContact O-CD2 3.49Å; D612-Y615 PolarHBondContact O-N 3.23Å
613	P	74.6	Confident	75.2	Confident	44 Å²	44	25.9 Å²	25.9	29%	0.286	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-16.7	-179.9	-29.9	36.1	0	0	0	115.6	Q522 L526 F604 L606	Q522-P613 PolarHBondContact NE2-O 3.1Å; L526-P613 HydrophobicContact CD2-CB 3.75Å; F604-P613 HydrophobicContact CD2-CG 4.49Å; F604-P613 HydrophobicContact CE2-CB 4.31Å; L606-P613 HydrophobicContact CD1-CG 4.21Å
614	A	85.7	Confident	75.7	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	15.3	173.7	0	0	0	0	0	114.2	L526 K572 V573 A602 D612	L526-A614 HydrophobicContact CD1-CB 3.97Å; K572-A614 CarbonylContact C-O 3.52Å; K572-A614 VanDerWaalsContact CA-O 3.29Å; K572-A614 WeakPolarHBondContact CA-O 3.22Å; K572-A614 HydrophobicContact CD-CB 4.28Å; K572-A614 VanDerWaalsContact CD-O 3.29Å; K572-A614 WeakPolarHBondContact CD-O 3.31Å; V573-A614 HydrophobicContact CG1-CB 4.06Å; V573-A614 WeakPolarHBondContact CG1-O 3.3Å; V573-A614 PolarHBondContact N-O 3.21Å; A602-A614 HydrophobicContact CB-CB 4.44Å; A602-A614 WeakPolarHBondContact O-CB 3.16Å; D612-A614 PolarHBondContact O-N 2.99Å; D612-A614 WeakPolarHBondContact OD1-CA 3.48Å; D612-A614 WeakPolarHBondContact OD1-CB 3.45Å; D612-A614 PolarHBondContact OD1-N 2.71Å
615	Y	89.1	Confident	76.8	Confident	9 Å²	9	32.5 Å²	32.5	4%	0.035	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-80.9	139.9	156.3	-75.6	-75.3	0	0	0	110.9	Q522 N551 K572 L611 D612 N617 F631	Q522-Y615 PolarHBondContact NE2-O 3.48Å; N551-Y615 PolarHBondContact ND2-OH 3.48Å; N551-Y615 VanDerWaalsContact OD1-CE1 3.23Å; N551-Y615 WeakPolarHBondContact OD1-CE1 3.12Å; N551-Y615 PolarHBondContact OD1-OH 3.26Å; K572-Y615 HydrophobicContact CD-CD1 4.22Å; K572-Y615 HydrophobicContact CD-CD2 4.48Å; K572-Y615 HydrophobicContact CD-CE1 4.15Å; K572-Y615 HydrophobicContact CD-CE2 4.43Å; K572-Y615 HydrophobicContact CD-CG 4.39Å; K572-Y615 HydrophobicContact CG-CD1 4.17Å; K572-Y615 HydrophobicContact CG-CE1 3.93Å; L611-Y615 HydrophobicContact CD1-CD2 3.23Å; L611-Y615 HydrophobicContact CD1-CE2 3.56Å; L611-Y615 HydrophobicContact CD1-CG 3.84Å; L611-Y615 HydrophobicContact CG-CD2 3.72Å; L611-Y615 HydrophobicContact CG-CE2 4.42Å; L611-Y615 HydrophobicContact CG-CG 4.31Å; D612-Y615 HydrophobicContact CB-CD2 3.79Å; D612-Y615 HydrophobicContact CB-CE2 3.76Å; D612-Y615 VanDerWaalsContact O-CD2 3.29Å; D612-Y615 WeakPolarHBondContact O-CD2 3.49Å; D612-Y615 PolarHBondContact O-N 3.23Å; Y615-N617 PolarHBondContact O-N 3.21Å; Y615-F631 HydrophobicContact CD1-CD1 4.05Å; Y615-F631 AromaticContact CD1-CE1 3.58Å; Y615-F631 HydrophobicContact CD1-CE1 3.58Å; Y615-F631 HydrophobicContact CE1-CE1 4.08Å; Y615-F631 AromaticContact CG-CE1 3.86Å; Y615-F631 HydrophobicContact CG-CE1 3.86Å
616	V	92.4	Very high	78.4	Confident	10 Å²	10	33.8 Å²	33.8	6%	0.061	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-56.2	124.3	-178.9	171.3	0	0	0	0	111.1	Y519 F539 G571 V573 C628	Y519-V616 HydrophobicContact CD1-CG1 4.25Å; Y519-V616 HydrophobicContact CD1-CG2 4.16Å; Y519-V616 HydrophobicContact CE1-CB 4.3Å; Y519-V616 HydrophobicContact CE1-CG1 3.54Å; Y519-V616 HydrophobicContact CE1-CG2 3.69Å; F539-V616 HydrophobicContact CE1-CG2 4.17Å; G571-V616 WeakPolarHBondContact O-CG2 3.23Å; G571-V616 PolarHBondContact O-N 2.92Å; V573-V616 HydrophobicContact CB-CG2 3.96Å; V573-V616 HydrophobicContact CG2-CG2 4.32Å; V616-C628 HydrophobicContact CG1-CB 4.22Å
617	N	86.8	Confident	80.4	Confident	50 Å²	50	33 Å²	33	27%	0.267	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-57	138.6	-179	-75.3	-3.8	0	0	0	111.9	Q517 Q522 Y615 S620	Q517-N617 PolarHBondContact OE1-ND2 3.46Å; Q522-N617 PolarHBondContact NE2-OD1 2.86Å; Y615-N617 PolarHBondContact O-N 3.21Å; N617-S620 WeakPolarHBondContact O-CB 3.38Å; N617-S620 PolarHBondContact O-N 3.21Å; N617-S620 PolarHBondContact O-OG 3.02Å
618	P	86.6	Confident	82.5	Confident	63 Å²	63	32.4 Å²	32.4	41%	0.409	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	145.6	167.4	-25	34.8	0	0	0	112	Y512 S620 C628	Y512-P618 HydrophobicContact CD1-CB 4.41Å; Y512-P618 WeakPolarHBondContact CD1-O 3.25Å; Y512-P618 HydrophobicContact CE1-CB 3.87Å; P618-S620 VanDerWaalsContact C-N 3.28Å; P618-S620 PolarHBondContact O-N 3.41Å; P618-C628 CarbonylContact C-O 3.59Å; P618-C628 VanDerWaalsContact CA-O 3.31Å; P618-C628 WeakPolarHBondContact CA-O 3.49Å
619	G	90.8	Very high	84.5	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	-16.4	-174	0	0	0	0	0	114.5	T627 C628	G619-T627 WeakPolarHBondContact CA-OG1 3.39Å; G619-T627 PolarHBondContact O-OG1 2.79Å; G619-C628 PolarHBondContact N-O 2.82Å
620	S	94.5	Very high	86.5	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.201	C	C	.	.			trans	-62.4	138.1	179.9	-61.5	0	0	0	0	113.1	N617 P618 C622 T627 C628	N617-S620 WeakPolarHBondContact O-CB 3.38Å; N617-S620 PolarHBondContact O-N 3.21Å; N617-S620 PolarHBondContact O-OG 3.02Å; P618-S620 VanDerWaalsContact C-N 3.28Å; P618-S620 PolarHBondContact O-N 3.41Å; S620-C622 PolarHBondContact O-N 3.37Å; S620-T627 CarbonylContact O-C 3.38Å; S620-T627 VanDerWaalsContact O-CA 3.29Å; S620-T627 WeakPolarHBondContact O-CA 3.41Å; S620-T627 PolarHBondContact O-OG1 3.22Å; S620-C628 PolarHBondContact O-N 3.37Å
621	P	95.9	Very high	88.5	Confident	25 Å²	25	38.3 Å²	38.3	16%	0.162	21%	0.213	C	C	.	.			trans	-78.1	105.8	-174.8	31.2	-37.1	0	0	0	112.6	A508 A509 Y510 Q517 Y519 K626	A508-P621 VanDerWaalsContact O-CB 3.3Å; A508-P621 WeakPolarHBondContact O-CB 3.35Å; A508-P621 VanDerWaalsContact O-CG 3.24Å; A508-P621 WeakPolarHBondContact O-CG 3.27Å; A509-P621 HydrophobicContact CB-CG 4.01Å; Y510-P621 HydrophobicContact CD2-CB 4.38Å; Y510-P621 HydrophobicContact CE2-CB 4.16Å; Q517-P621 WeakPolarHBondContact O-CD 3.49Å; Y519-P621 VanDerWaalsContact CE2-O 3.3Å; Y519-P621 WeakPolarHBondContact CE2-O 3.2Å; Y519-P621 PolarHBondContact OH-O 2.91Å; P621-K626 WeakPolarHBondContact CA-O 3.35Å
622	C	96.1	Very high	90	Very high	5 Å²	5	41 Å²	41	3%	0.034	22%	0.222	C	C	.	.			trans	-87.3	-26.1	-177.6	56	0	0	0	0	114.5	K569 S620 K626 T627 C633	K569-C622 HydrophobicContact CB-CB 4.04Å; K569-C622 WeakPolarHBondContact CD-O 3.38Å; S620-C622 PolarHBondContact O-N 3.37Å; C622-K626 PolarHBondContact N-O 3.11Å; C622-K626 VanDerWaalsContact SG-CB 3.6Å; C622-T627 VanDerWaalsContact SG-C 3.52Å; C622-T627 PolarHBondContact SG-N 3.37Å; C622-T627 PolarHBondContact SG-O 3.37Å; C622-C633 HydrophobicContact CB-CB 3.78Å; C622-C633 WeakPolarHBondContact CB-SG 2.98Å; C622-C633 WeakPolarHBondContact SG-CA 3.41Å; C622-C633 WeakPolarHBondContact SG-CB 3.48Å; C622-C633 CovalentContact SG-SG 2.03Å; C622-C633 PolarHBondContact SG-SG 3.14Å
623	D	94.6	Very high	91.3	Very high	84 Å²	84	41.5 Å²	41.5	45%	0.449	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-162.8	170	-178	-172.2	12.2	0	0	0	108.6	G625 K626	D623-G625 PolarHBondContact O-N 3.01Å; D623-K626 HydrophobicContact CB-CB 4.03Å; D623-K626 HydrophobicContact CB-CD 3.97Å; D623-K626 HydrophobicContact CB-CG 4.22Å; D623-K626 PolarHBondContact O-N 2.99Å; D623-K626 WeakPolarHBondContact OD2-CE 3.5Å; D623-K626 IonicContact OD2-NZ 2.67Å; D623-K626 PolarHBondContact OD2-NZ 3.41Å
624	N	92.9	Very high	92.3	Very high	152 Å²	152	41.4 Å²	41.4	81%	0.813	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	123.1	-179	-173	14.4	0	0	0	111.4	K626	N624-K626 PolarHBondContact O-N 2.89Å
625	G	92.4	Very high	92.8	Very high	25 Å²	25	45.8 Å²	45.8	26%	0.258	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	17.3	-175.3	0	0	0	0	0	114.5	Y510 D623 A636	Y510-G625 WeakPolarHBondContact OH-CA 3.36Å; D623-G625 PolarHBondContact O-N 3.01Å; G625-A636 PolarHBondContact O-N 2.89Å
626	K	95.9	Very high	93	Very high	74 Å²	74	46 Å²	46	32%	0.322	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	156.6	-177.3	-58.3	-168.5	-158.7	144.9	0	113.1	Y510 P621 C622 D623 N624 V634	Y510-K626 WeakPolarHBondContact CE2-O 3.13Å; P621-K626 WeakPolarHBondContact CA-O 3.35Å; C622-K626 PolarHBondContact N-O 3.11Å; C622-K626 VanDerWaalsContact SG-CB 3.6Å; D623-K626 HydrophobicContact CB-CB 4.03Å; D623-K626 HydrophobicContact CB-CD 3.97Å; D623-K626 HydrophobicContact CB-CG 4.22Å; D623-K626 PolarHBondContact O-N 2.99Å; D623-K626 WeakPolarHBondContact OD2-CE 3.5Å; D623-K626 IonicContact OD2-NZ 2.67Å; D623-K626 PolarHBondContact OD2-NZ 3.41Å; N624-K626 PolarHBondContact O-N 2.89Å; K626-V634 CarbonylContact C-O 3.45Å; K626-V634 WeakPolarHBondContact CA-O 3.36Å; K626-V634 WeakPolarHBondContact CB-O 3.23Å
627	T	96.4	Very high	93	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	159.9	-174.4	-169.5	0	0	0	0	111.5	G619 S620 C622 V629 V634 V638 L639	G619-T627 WeakPolarHBondContact CA-OG1 3.39Å; G619-T627 PolarHBondContact O-OG1 2.79Å; S620-T627 CarbonylContact O-C 3.38Å; S620-T627 VanDerWaalsContact O-CA 3.29Å; S620-T627 WeakPolarHBondContact O-CA 3.41Å; S620-T627 PolarHBondContact O-OG1 3.22Å; C622-T627 VanDerWaalsContact SG-C 3.52Å; C622-T627 PolarHBondContact SG-N 3.37Å; C622-T627 PolarHBondContact SG-O 3.37Å; T627-V629 HydrophobicContact CG2-CG2 4.23Å; T627-V634 HydrophobicContact CG2-CG2 4.17Å; T627-V634 PolarHBondContact N-O 2.77Å; T627-V634 PolarHBondContact O-N 3Å; T627-V638 HydrophobicContact CG2-CG2 4.03Å; T627-L639 HydrophobicContact CG2-CD1 4Å; T627-L639 HydrophobicContact CG2-CD2 4.03Å; T627-L639 HydrophobicContact CG2-CG 3.89Å
628	C	95.4	Very high	93.1	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.02	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	124.2	173.6	-66.4	0	0	0	0	111.9	K569 C570 V616 P618 G619 S620 K632	K569-C628 PolarHBondContact O-SG 3.06Å; C570-C628 WeakPolarHBondContact CA-SG 3.36Å; C570-C628 HydrophobicContact CB-CB 3.71Å; C570-C628 WeakPolarHBondContact CB-SG 3.33Å; C570-C628 WeakPolarHBondContact SG-CA 3.24Å; C570-C628 WeakPolarHBondContact SG-CB 3.48Å; C570-C628 CovalentContact SG-SG 2.04Å; C570-C628 PolarHBondContact SG-SG 2.91Å; V616-C628 HydrophobicContact CG1-CB 4.22Å; P618-C628 CarbonylContact C-O 3.59Å; P618-C628 VanDerWaalsContact CA-O 3.31Å; P618-C628 WeakPolarHBondContact CA-O 3.49Å; G619-C628 PolarHBondContact N-O 2.82Å; S620-C628 PolarHBondContact O-N 3.37Å; C628-K632 WeakPolarHBondContact CA-O 3.46Å
629	V	88.9	Confident	93.2	Very high	45 Å²	45	48.9 Å²	48.9	27%	0.273	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	136	167.6	179.9	0	0	0	0	108	T627 F631 K632 V634 V638 L639	T627-V629 HydrophobicContact CG2-CG2 4.23Å; V629-F631 VanDerWaalsContact C-N 3.31Å; V629-F631 PolarHBondContact O-N 3.26Å; V629-K632 PolarHBondContact N-O 2.98Å; V629-K632 WeakPolarHBondContact O-CB 3.36Å; V629-K632 PolarHBondContact O-N 2.86Å; V629-V634 HydrophobicContact CB-CG2 4.02Å; V629-V634 HydrophobicContact CG2-CG2 4.09Å; V629-V638 HydrophobicContact CG2-CG2 3.88Å; V629-L639 HydrophobicContact CG2-CD2 4.08Å
630	D	84.7	Confident	93.1	Very high	82 Å²	82	52.7 Å²	52.7	44%	0.439	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.8	47.2	179.7	-67.6	-17.8	0	0	0	113.8	K284 K632	K284-D630 VanDerWaalsContact CE-OD1 3.29Å; K284-D630 WeakPolarHBondContact CE-OD1 3.43Å; K284-D630 VanDerWaalsContact CE-OD2 3.29Å; K284-D630 WeakPolarHBondContact CE-OD2 3.28Å; K284-D630 IonicContact NZ-OD1 2.72Å; K284-D630 PolarHBondContact NZ-OD1 2.65Å; K284-D630 IonicContact NZ-OD2 2.96Å; K284-D630 PolarHBondContact NZ-OD2 3.42Å; D630-K632 PolarHBondContact O-N 2.87Å; D630-K632 VanDerWaalsContact O-N 3.14Å
631	F	91.3	Very high	92.4	Very high	62 Å²	62	55.3 Å²	55.3	27%	0.272	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	18.9	-175.2	-43.8	-79.4	0	0	0	115.5	C552 C570 L611 Y615 V629	C552-F631 HydrophobicContact CB-CB 3.95Å; C570-F631 WeakPolarHBondContact O-CA 2.99Å; L611-F631 HydrophobicContact CD1-CE1 4.01Å; L611-F631 HydrophobicContact CD1-CZ 3.62Å; L611-F631 HydrophobicContact CD2-CZ 4.28Å; Y615-F631 HydrophobicContact CD1-CD1 4.05Å; Y615-F631 AromaticContact CD1-CE1 3.58Å; Y615-F631 HydrophobicContact CD1-CE1 3.58Å; Y615-F631 HydrophobicContact CE1-CE1 4.08Å; Y615-F631 AromaticContact CG-CE1 3.86Å; Y615-F631 HydrophobicContact CG-CE1 3.86Å; V629-F631 VanDerWaalsContact C-N 3.31Å; V629-F631 PolarHBondContact O-N 3.26Å
632	K	94.5	Very high	91.8	Very high	116 Å²	116	62.1 Å²	62.1	50%	0.504	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	142.5	-178.8	-65.9	165.1	-171.9	167.2	0	111.4	N567 C628 V629 D630 V634	N567-K632 WeakPolarHBondContact OD1-CA 3.36Å; C628-K632 WeakPolarHBondContact CA-O 3.46Å; V629-K632 PolarHBondContact N-O 2.98Å; V629-K632 WeakPolarHBondContact O-CB 3.36Å; V629-K632 PolarHBondContact O-N 2.86Å; D630-K632 PolarHBondContact O-N 2.87Å; D630-K632 VanDerWaalsContact O-N 3.14Å; K632-V634 HydrophobicContact CB-CG1 3.99Å; K632-V634 PolarHBondContact O-N 2.79Å
633	C	96.9	Very high	91.1	Very high	22 Å²	22	65.6 Å²	65.6	15%	0.149	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	104.2	172	-174	0	0	0	0	109.6	A566 N567 C622	A566-C633 WeakPolarHBondContact O-CB 3.28Å; N567-C633 PolarHBondContact OD1-N 2.82Å; C622-C633 HydrophobicContact CB-CB 3.78Å; C622-C633 WeakPolarHBondContact CB-SG 2.98Å; C622-C633 WeakPolarHBondContact SG-CA 3.41Å; C622-C633 WeakPolarHBondContact SG-CB 3.48Å; C622-C633 CovalentContact SG-SG 2.03Å; C622-C633 PolarHBondContact SG-SG 3.14Å
634	V	96.3	Very high	90.7	Very high	43 Å²	43	65 Å²	65	26%	0.261	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	163.3	-173	-65	0	0	0	0	111	K626 T627 V629 K632 A636 V638	K626-V634 CarbonylContact C-O 3.45Å; K626-V634 WeakPolarHBondContact CA-O 3.36Å; K626-V634 WeakPolarHBondContact CB-O 3.23Å; T627-V634 HydrophobicContact CG2-CG2 4.17Å; T627-V634 PolarHBondContact N-O 2.77Å; T627-V634 PolarHBondContact O-N 3Å; V629-V634 HydrophobicContact CB-CG2 4.02Å; V629-V634 HydrophobicContact CG2-CG2 4.09Å; K632-V634 HydrophobicContact CB-CG1 3.99Å; K632-V634 PolarHBondContact O-N 2.79Å; V634-A636 PolarHBondContact O-N 3.19Å; V634-V638 HydrophobicContact CG2-CG1 4.41Å; V634-V638 HydrophobicContact CG2-CG2 3.69Å
635	N	96	Very high	90.6	Very high	92 Å²	92	58.7 Å²	58.7	49%	0.492	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	136.8	179.4	-175.9	-73.7	0	0	0	111.1	S637 V638	N635-S637 PolarHBondContact O-N 3.09Å; N635-S637 VanDerWaalsContact O-N 3.1Å; N635-S637 VanDerWaalsContact OD1-CB 3.28Å; N635-S637 WeakPolarHBondContact OD1-CB 3.45Å; N635-S637 PolarHBondContact OD1-N 3.14Å; N635-S637 PolarHBondContact OD1-OG 3.26Å; N635-V638 WeakPolarHBondContact O-CG1 3.39Å; N635-V638 WeakPolarHBondContact O-CG2 3.47Å; N635-V638 PolarHBondContact O-N 2.92Å; N635-V638 VanDerWaalsContact O-N 3.16Å
636	A	94.1	Very high	90.5	Very high	13 Å²	13	60.9 Å²	60.9	11%	0.107	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-60.2	-22.5	-174.7	0	0	0	0	0	114.3	Y510 G625 V634 V638 L639	Y510-A636 HydrophobicContact CD1-CB 4.28Å; Y510-A636 HydrophobicContact CD2-CB 4.43Å; Y510-A636 HydrophobicContact CE1-CB 3.68Å; Y510-A636 HydrophobicContact CE2-CB 3.85Å; Y510-A636 VanDerWaalsContact CZ-CB 3.44Å; G625-A636 PolarHBondContact O-N 2.89Å; V634-A636 PolarHBondContact O-N 3.19Å; A636-V638 PolarHBondContact O-N 2.03Å; A636-L639 WeakPolarHBondContact O-CB 3.39Å; A636-L639 WeakPolarHBondContact O-CG 3.48Å; A636-L639 PolarHBondContact O-N 3.47Å
637	S	91.3	Very high	90.3	Very high	88 Å²	88	58.5 Å²	58.5	62%	0.615	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-61.9	-5.3	174.5	-54.6	0	0	0	0	114.8	N635 L639	N635-S637 PolarHBondContact O-N 3.09Å; N635-S637 VanDerWaalsContact O-N 3.1Å; N635-S637 VanDerWaalsContact OD1-CB 3.28Å; N635-S637 WeakPolarHBondContact OD1-CB 3.45Å; N635-S637 PolarHBondContact OD1-N 3.14Å; N635-S637 PolarHBondContact OD1-OG 3.26Å; S637-L639 VanDerWaalsContact C-N 3.28Å
638	V	90.2	Very high	90.2	Very high	85 Å²	85	65.1 Å²	65.1	52%	0.515	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-74.4	-17.3	168.9	-56.4	0	0	0	0	113.5	T627 V629 V634 N635 A636	T627-V638 HydrophobicContact CG2-CG2 4.03Å; V629-V638 HydrophobicContact CG2-CG2 3.88Å; V634-V638 HydrophobicContact CG2-CG1 4.41Å; V634-V638 HydrophobicContact CG2-CG2 3.69Å; N635-V638 WeakPolarHBondContact O-CG1 3.39Å; N635-V638 WeakPolarHBondContact O-CG2 3.47Å; N635-V638 PolarHBondContact O-N 2.92Å; N635-V638 VanDerWaalsContact O-N 3.16Å; A636-V638 PolarHBondContact O-N 2.03Å
639	L	88.9	Confident	90.1	Very high	10 Å²	10	70.2 Å²	70.2	5%	0.052	40%	0.399	C	S	.	.	S	Bend	trans	-81.4	-21.1	178.8	-56.5	-179.7	0	0	0	112.7	D500 Y510 Y512 T627 V629 A636 S637 P641	D500-L639 WeakPolarHBondContact CB-O 3.32Å; Y510-L639 HydrophobicContact CG-CD1 4.19Å; Y512-L639 HydrophobicContact CD2-CD2 3.86Å; Y512-L639 HydrophobicContact CE2-CD2 3.92Å; T627-L639 HydrophobicContact CG2-CD1 4Å; T627-L639 HydrophobicContact CG2-CD2 4.03Å; T627-L639 HydrophobicContact CG2-CG 3.89Å; V629-L639 HydrophobicContact CG2-CD2 4.08Å; A636-L639 WeakPolarHBondContact O-CB 3.39Å; A636-L639 WeakPolarHBondContact O-CG 3.48Å; A636-L639 PolarHBondContact O-N 3.47Å; S637-L639 VanDerWaalsContact C-N 3.28Å; L639-P641 VanDerWaalsContact O-CD 3.25Å; L639-P641 WeakPolarHBondContact O-CD 3.34Å; L639-P641 VanDerWaalsContact O-N 3.15Å
640	D	86.9	Confident	90.4	Very high	81 Å²	81	70.2 Å²	70.2	43%	0.433	40%	0.399	S	S	.	.			trans	-58	113.4	178.6	173	10	0	0	0	110.1	K642	D640-K642 PolarHBondContact O-N 2.84Å; D640-K642 WeakPolarHBondContact OD1-CA 3.05Å; D640-K642 PolarHBondContact OD1-N 2.89Å
641	P	80.1	Confident	90.9	Very high	54 Å²	54	66.3 Å²	66.3	35%	0.351	38%	0.378	S	S	.	.			trans	-77	-2	-178.7	33.8	-35.9	0	0	0	112.7	M499 D500 L639 L643	M499-P641 HydrophobicContact CG-CG 3.51Å; M499-P641 HydrophobicContact SD-CG 3.79Å; D500-P641 WeakPolarHBondContact O-CD 3.44Å; L639-P641 VanDerWaalsContact O-CD 3.25Å; L639-P641 WeakPolarHBondContact O-CD 3.34Å; L639-P641 VanDerWaalsContact O-N 3.15Å; P641-L643 VanDerWaalsContact C-N 3.27Å; P641-L643 HydrophobicContact CB-CD1 3.93Å; P641-L643 HydrophobicContact CB-CG 3.93Å; P641-L643 HydrophobicContact CG-CD1 3.72Å; P641-L643 HydrophobicContact CG-CG 3.94Å; P641-L643 PolarHBondContact O-N 3.09Å
642	K	83.1	Confident	91.1	Very high	168 Å²	168	65.4 Å²	65.4	73%	0.73	38%	0.38	S	S	*	.			trans	57.7	34.7	176.4	-60.3	178.4	-175.9	174.9	0	114.1	D640 G644	D640-K642 PolarHBondContact O-N 2.84Å; D640-K642 WeakPolarHBondContact OD1-CA 3.05Å; D640-K642 PolarHBondContact OD1-N 2.89Å; K642-G644 PolarHBondContact O-N 3.43Å
643	L	82.4	Confident	91.1	Very high	79 Å²	79	61.7 Å²	61.7	41%	0.414	37%	0.374	S	S	.	.			trans	-76	2.5	-178.4	-64.4	170.8	0	0	0	114	M499 P641 C645 D659	M499-L643 HydrophobicContact CE-CB 3.8Å; M499-L643 HydrophobicContact CE-CD1 3.9Å; M499-L643 HydrophobicContact CE-CG 4.41Å; P641-L643 VanDerWaalsContact C-N 3.27Å; P641-L643 HydrophobicContact CB-CD1 3.93Å; P641-L643 HydrophobicContact CB-CG 3.93Å; P641-L643 HydrophobicContact CG-CD1 3.72Å; P641-L643 HydrophobicContact CG-CG 3.94Å; P641-L643 PolarHBondContact O-N 3.09Å; L643-C645 VanDerWaalsContact C-N 3.31Å; L643-C645 PolarHBondContact O-N 2.89Å; L643-D659 WeakPolarHBondContact CD1-O 3.23Å
644	G	85.1	Confident	91.1	Very high	71 Å²	71	65.4 Å²	65.4	73%	0.732	39%	0.385	S	S	*	.	S	Bend	trans	74	16.3	173.6	0	0	0	0	0	115.3	K642	K642-G644 PolarHBondContact O-N 3.43Å
645	C	90.9	Very high	91	Very high	20 Å²	20	63.8 Å²	63.8	14%	0.135	38%	0.376	C	S	.	.			trans	-106.8	132.8	174.6	-173.3	0	0	0	0	110.7	M499 L643 C657 G661	M499-C645 HydrophobicContact CE-CB 4.02Å; L643-C645 VanDerWaalsContact C-N 3.31Å; L643-C645 PolarHBondContact O-N 2.89Å; C645-C657 HydrophobicContact CB-CB 3.72Å; C645-C657 WeakPolarHBondContact CB-SG 3.41Å; C645-C657 WeakPolarHBondContact SG-CB 3.45Å; C645-C657 CovalentContact SG-SG 2.04Å; C645-C657 PolarHBondContact SG-SG 3.12Å; C645-G661 VanDerWaalsContact CB-O 3.3Å; C645-G661 WeakPolarHBondContact CB-O 3.02Å
646	D	91.4	Very high	91	Very high	70 Å²	70	61.7 Å²	61.7	37%	0.374	37%	0.367	S	S	.	.			trans	-128	138.4	167.8	158.4	-113.1	0	0	0	109.8	Q648 T649 T650 C651 C657	D646-Q648 VanDerWaalsContact C-N 3.3Å; D646-Q648 PolarHBondContact O-N 3.27Å; D646-Q648 PolarHBondContact OD1-N 3.24Å; D646-Q648 PolarHBondContact OD2-N 3.03Å; D646-T649 WeakPolarHBondContact CB-OG1 3.24Å; D646-T649 WeakPolarHBondContact OD1-CB 3.33Å; D646-T649 WeakPolarHBondContact OD1-CG2 3.43Å; D646-T649 PolarHBondContact OD1-N 3.02Å; D646-T649 PolarHBondContact OD1-OG1 3Å; D646-T650 PolarHBondContact N-OG1 2.67Å; D646-T650 VanDerWaalsContact N-OG1 3.13Å; D646-T650 WeakPolarHBondContact O-CA 3.35Å; D646-T650 VanDerWaalsContact O-CB 3.23Å; D646-T650 WeakPolarHBondContact O-CB 3.47Å; D646-T650 PolarHBondContact O-N 2.66Å; D646-C651 PolarHBondContact O-N 3.37Å; D646-C651 VanDerWaalsContact O-N 3.08Å; D646-C657 PolarHBondContact N-SG 2.94Å
647	A	91.9	Very high	91	Very high	25 Å²	25	61.2 Å²	61.2	21%	0.207	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-34.2	-175.4	0	0	0	0	0	112.4	C651 G653	A647-C651 CarbonylContact O-C 3.59Å; A647-C651 VanDerWaalsContact O-C 3.31Å; A647-C651 WeakPolarHBondContact O-CB 3.43Å; A647-G653 WeakPolarHBondContact O-CA 3.47Å; A647-G653 PolarHBondContact O-N 3.19Å
648	Q	93.4	Very high	91.1	Very high	138 Å²	138	57 Å²	57	65%	0.645	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-41.6	-177.7	-63	-58.9	-38.6	0	0	112.5	D646 S652 G653	D646-Q648 VanDerWaalsContact C-N 3.3Å; D646-Q648 PolarHBondContact O-N 3.27Å; D646-Q648 PolarHBondContact OD1-N 3.24Å; D646-Q648 PolarHBondContact OD2-N 3.03Å; Q648-S652 CarbonylContact O-C 3.55Å; Q648-S652 WeakPolarHBondContact O-CA 3.3Å; Q648-G653 PolarHBondContact O-N 2.86Å
649	T	93.8	Very high	91	Very high	111 Å²	111	54.7 Å²	54.7	68%	0.681	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-52.5	-173.8	57.8	0	0	0	0	113	D646	D646-T649 WeakPolarHBondContact CB-OG1 3.24Å; D646-T649 WeakPolarHBondContact OD1-CB 3.33Å; D646-T649 WeakPolarHBondContact OD1-CG2 3.43Å; D646-T649 PolarHBondContact OD1-N 3.02Å; D646-T649 PolarHBondContact OD1-OG1 3Å
650	T	94.1	Very high	90.9	Very high	45 Å²	45	57.7 Å²	57.7	28%	0.276	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-46.2	178.6	-48.5	0	0	0	0	111	D646 N673	D646-T650 PolarHBondContact N-OG1 2.67Å; D646-T650 VanDerWaalsContact N-OG1 3.13Å; D646-T650 WeakPolarHBondContact O-CA 3.35Å; D646-T650 VanDerWaalsContact O-CB 3.23Å; D646-T650 WeakPolarHBondContact O-CB 3.47Å; D646-T650 PolarHBondContact O-N 2.66Å; T650-N673 WeakPolarHBondContact O-CA 3.3Å; T650-N673 WeakPolarHBondContact O-CB 3.29Å
651	C	96.1	Very high	91.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	32%	0.318	C	S	.	.	S	Bend	trans	-94.8	16.5	-179.4	-46.6	0	0	0	0	113.9	D646 A647 G653 R654 C657 C663 N673 C674	D646-C651 PolarHBondContact O-N 3.37Å; D646-C651 VanDerWaalsContact O-N 3.08Å; A647-C651 CarbonylContact O-C 3.59Å; A647-C651 VanDerWaalsContact O-C 3.31Å; A647-C651 WeakPolarHBondContact O-CB 3.43Å; C651-G653 PolarHBondContact O-N 3.04Å; C651-R654 PolarHBondContact O-N 3.39Å; C651-C657 VanDerWaalsContact SG-SG 3.65Å; C651-C663 WeakPolarHBondContact CA-SG 3.48Å; C651-C663 HydrophobicContact CB-CB 3.72Å; C651-C663 WeakPolarHBondContact CB-SG 3.25Å; C651-C663 WeakPolarHBondContact SG-CB 3.47Å; C651-C663 CovalentContact SG-SG 2.03Å; C651-C663 PolarHBondContact SG-SG 2.76Å; C651-N673 CarbonylContact C-O 3.59Å; C651-C674 WeakPolarHBondContact O-CB 3.49Å
652	S	96	Very high	91.8	Very high	43 Å²	43	55.2 Å²	55.2	30%	0.301	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	25	174.1	-50.6	0	0	0	0	115.6	Q648 R654 N673 N675	Q648-S652 CarbonylContact O-C 3.55Å; Q648-S652 WeakPolarHBondContact O-CA 3.3Å; S652-R654 WeakPolarHBondContact O-CG 3.33Å; S652-R654 PolarHBondContact O-N 3.26Å; S652-N673 PolarHBondContact OG-O 3.06Å; S652-N675 WeakPolarHBondContact OG-CB 3.45Å
653	G	95.1	Very high	92.4	Very high	37 Å²	37	47.3 Å²	47.3	38%	0.381	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	65	22.8	-174.4	0	0	0	0	0	114.2	A647 Q648 C651	A647-G653 WeakPolarHBondContact O-CA 3.47Å; A647-G653 PolarHBondContact O-N 3.19Å; Q648-G653 PolarHBondContact O-N 2.86Å; C651-G653 PolarHBondContact O-N 3.04Å
654	R	96.1	Very high	93	Very high	101 Å²	101	44.4 Å²	44.4	38%	0.381	27%	0.267	S	S	.	.	S	Bend	trans	-137.5	32.7	-167.3	-73.6	164	172.4	176.7	2.5	112.6	C651 S652 D666 W669 C674	C651-R654 PolarHBondContact O-N 3.39Å; S652-R654 WeakPolarHBondContact O-CG 3.33Å; S652-R654 PolarHBondContact O-N 3.26Å; R654-D666 WeakPolarHBondContact CA-OD2 3.47Å; R654-D666 WeakPolarHBondContact O-CB 3.27Å; R654-D666 PolarHBondContact O-N 3.01Å; R654-W669 HydrophobicContact CB-CD2 4.31Å; R654-W669 HydrophobicContact CB-CG 3.97Å; R654-W669 HydrophobicContact CG-CD2 4.32Å; R654-W669 HydrophobicContact CG-CG 4.4Å; R654-W669 VanDerWaalsContact CZ-CH2 3.43Å; R654-W669 VanDerWaalsContact CZ-CZ2 3.43Å; R654-C674 HydrophobicContact CB-CB 3.9Å; R654-C674 WeakPolarHBondContact O-CB 3.15Å
655	G	94.4	Very high	93.6	Very high	8 Å²	8	41.1 Å²	41.1	8%	0.082	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170	175.9	-178	0	0	0	0	0	110.8	H664 D666	G655-H664 CarbonylContact C-O 3.5Å; G655-H664 WeakPolarHBondContact CA-O 3.48Å; G655-D666 PolarHBondContact N-OD2 2.87Å
656	V	94.9	Very high	93.7	Very high	49 Å²	49	44.4 Å²	44.4	30%	0.297	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	152.3	177.9	-64.2	0	0	0	0	110.3	L481 I498 C663 H664	L481-V656 HydrophobicContact CD2-CG2 3.86Å; I498-V656 HydrophobicContact CD1-CG2 4.2Å; I498-V656 HydrophobicContact CG1-CG2 4.2Å; V656-C663 WeakPolarHBondContact O-CA 3.27Å; V656-H664 HydrophobicContact CG2-CB 4.12Å; V656-H664 PolarHBondContact N-O 2.83Å; V656-H664 PolarHBondContact O-N 3.02Å
657	C	94.9	Very high	93.7	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.014	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	132.6	173	-60.4	0	0	0	0	110.2	M499 C645 D646 C651 H662	M499-C657 HydrophobicContact CB-CB 4.35Å; M499-C657 HydrophobicContact CE-CB 3.74Å; M499-C657 PolarHBondContact N-O 3.35Å; M499-C657 HydrophobicContact SD-CB 4.4Å; C645-C657 HydrophobicContact CB-CB 3.72Å; C645-C657 WeakPolarHBondContact CB-SG 3.41Å; C645-C657 WeakPolarHBondContact SG-CB 3.45Å; C645-C657 CovalentContact SG-SG 2.04Å; C645-C657 PolarHBondContact SG-SG 3.12Å; D646-C657 PolarHBondContact N-SG 2.94Å; C651-C657 VanDerWaalsContact SG-SG 3.65Å; C657-H662 WeakPolarHBondContact CA-O 3.45Å
658	N	92.8	Very high	93.7	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-86.3	177.5	172.5	72.5	0.1	0	0	0	112.5	L481 Y497 M499 Q660 G661 H662 D684	L481-N658 HydrophobicContact CD1-CB 3.59Å; Y497-N658 CarbonylContact O-C 3.31Å; Y497-N658 WeakPolarHBondContact O-CA 3.42Å; Y497-N658 WeakPolarHBondContact O-CB 3.28Å; M499-N658 VanDerWaalsContact CE-O 3.24Å; M499-N658 WeakPolarHBondContact CE-O 3.38Å; N658-Q660 PolarHBondContact O-N 2.88Å; N658-Q660 VanDerWaalsContact O-N 3.09Å; N658-Q660 PolarHBondContact OD1-N 3.49Å; N658-Q660 VanDerWaalsContact OD1-N 3.1Å; N658-G661 PolarHBondContact O-N 2.04Å; N658-G661 PolarHBondContact OD1-N 3.38Å; N658-H662 PolarHBondContact N-O 3.29Å; N658-H662 WeakPolarHBondContact OD1-CA 3.04Å; N658-H662 PolarHBondContact OD1-N 3.2Å; N658-H662 PolarHBondContact OD1-O 3.47Å; N658-H662 VanDerWaalsContact OD1-O 3.09Å; N658-D684 PolarHBondContact ND2-OD2 3.48Å
659	D	88.1	Confident	93.8	Very high	35 Å²	35	42.9 Å²	42.9	19%	0.187	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-15.2	175.6	61.3	-74.2	0	0	0	115	F496 Y497 L643	F496-D659 WeakPolarHBondContact CA-OD1 3.49Å; F496-D659 WeakPolarHBondContact CB-OD1 3.2Å; F496-D659 WeakPolarHBondContact CD1-OD1 3.38Å; Y497-D659 HydrophobicContact CD1-CB 4Å; Y497-D659 HydrophobicContact CD2-CB 3.91Å; Y497-D659 HydrophobicContact CE1-CB 3.71Å; Y497-D659 HydrophobicContact CE2-CB 3.63Å; Y497-D659 HydrophobicContact CG-CB 4.09Å; Y497-D659 PolarHBondContact N-OD1 3.13Å; Y497-D659 PolarHBondContact O-N 3.08Å; L643-D659 WeakPolarHBondContact CD1-O 3.23Å
660	Q	88.2	Confident	93.8	Very high	74 Å²	74	38.7 Å²	38.7	35%	0.346	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-4.2	174.2	-56.9	-156.2	-38.9	0	0	114	F496 N658 H662 D684	F496-Q660 HydrophobicContact CD1-CG 4.14Å; F496-Q660 VanDerWaalsContact CE1-CD 3.49Å; F496-Q660 HydrophobicContact CE1-CG 3.92Å; N658-Q660 PolarHBondContact O-N 2.88Å; N658-Q660 VanDerWaalsContact O-N 3.09Å; N658-Q660 PolarHBondContact OD1-N 3.49Å; N658-Q660 VanDerWaalsContact OD1-N 3.1Å; Q660-H662 VanDerWaalsContact C-N 3.33Å; Q660-D684 PolarHBondContact OE1-OD1 2.96Å
661	G	90.8	Very high	93.8	Very high	14 Å²	14	38.5 Å²	38.5	14%	0.144	22%	0.22	C	C	.	.	S	Bend	trans	78.1	15.7	-173.3	0	0	0	0	0	114.2	C645 N658	C645-G661 VanDerWaalsContact CB-O 3.3Å; C645-G661 WeakPolarHBondContact CB-O 3.02Å; N658-G661 PolarHBondContact O-N 2.04Å; N658-G661 PolarHBondContact OD1-N 3.38Å
662	H	94.2	Very high	93.7	Very high	69 Å²	69	42.1 Å²	42.1	32%	0.319	24%	0.243	S	C	.	.			trans	-94.7	153.5	171.5	-57.1	153.6	0	0	0	110.8	C657 N658 Q660 I683 D684	C657-H662 WeakPolarHBondContact CA-O 3.45Å; N658-H662 PolarHBondContact N-O 3.29Å; N658-H662 WeakPolarHBondContact OD1-CA 3.04Å; N658-H662 PolarHBondContact OD1-N 3.2Å; N658-H662 PolarHBondContact OD1-O 3.47Å; N658-H662 VanDerWaalsContact OD1-O 3.09Å; Q660-H662 VanDerWaalsContact C-N 3.33Å; H662-I683 HydrophobicContact CB-CD1 4.39Å; H662-I683 HydrophobicContact CB-CG1 4.26Å; H662-D684 WeakPolarHBondContact CB-OD2 3.29Å; H662-D684 IonicContact CE1-OD1 2.8Å; H662-D684 PolarHBondContact CE1-OD1 3.47Å; H662-D684 IonicContact CG-OD1 3.72Å; H662-D684 IonicContact CG-OD2 2.73Å; H662-D684 VanDerWaalsContact ND1-CG 3.34Å; H662-D684 IonicContact ND1-OD1 3.84Å; H662-D684 PolarHBondContact ND1-OD1 2.99Å; H662-D684 IonicContact ND1-OD2 3.07Å; H662-D684 PolarHBondContact ND1-OD2 3.33Å; H662-D684 VanDerWaalsContact ND1-OD2 3.16Å
663	C	95.9	Very high	93.6	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.014	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	120.4	177.8	-59.7	0	0	0	0	112.1	C651 V656 C665 P672 C674 S682	C651-C663 WeakPolarHBondContact CA-SG 3.48Å; C651-C663 HydrophobicContact CB-CB 3.72Å; C651-C663 WeakPolarHBondContact CB-SG 3.25Å; C651-C663 WeakPolarHBondContact SG-CB 3.47Å; C651-C663 CovalentContact SG-SG 2.03Å; C651-C663 PolarHBondContact SG-SG 2.76Å; V656-C663 WeakPolarHBondContact O-CA 3.27Å; C663-C665 PolarHBondContact O-N 3.44Å; C663-P672 VanDerWaalsContact CB-O 3.23Å; C663-P672 WeakPolarHBondContact CB-O 3.24Å; C663-P672 PolarHBondContact SG-O 3.25Å; C663-C674 VanDerWaalsContact CB-SG 3.56Å; C663-S682 PolarHBondContact O-OG 2.86Å
664	H	95.5	Very high	93.7	Very high	18 Å²	18	41.5 Å²	41.5	8%	0.083	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	103.9	160.3	-167.4	110.5	0	0	0	108.6	L481 P482 G655 V656 S685	L481-H664 HydrophobicContact CD1-CB 4.01Å; L481-H664 HydrophobicContact CD2-CB 4.12Å; P482-H664 PolarHBondContact O-CE1 3.07Å; G655-H664 CarbonylContact C-O 3.5Å; G655-H664 WeakPolarHBondContact CA-O 3.48Å; V656-H664 HydrophobicContact CG2-CB 4.12Å; V656-H664 PolarHBondContact N-O 2.83Å; V656-H664 PolarHBondContact O-N 3.02Å; H664-S685 PolarHBondContact CE1-OG 2.88Å; H664-S685 PolarHBondContact ND1-OG 2.93Å
665	C	96.2	Very high	93.7	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.014	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	146.8	-171.7	-63.1	0	0	0	0	113.8	C663 W669 A670 P671 C674 G680 G681	C663-C665 PolarHBondContact O-N 3.44Å; C665-W669 HydrophobicContact CB-CB 4.11Å; C665-A670 VanDerWaalsContact SG-C 3.56Å; C665-P671 VanDerWaalsContact SG-CA 3.55Å; C665-P671 VanDerWaalsContact SG-N 3.41Å; C665-C674 WeakPolarHBondContact CA-SG 3.47Å; C665-C674 HydrophobicContact CB-CB 3.81Å; C665-C674 WeakPolarHBondContact CB-SG 3.39Å; C665-C674 WeakPolarHBondContact SG-CA 3.47Å; C665-C674 WeakPolarHBondContact SG-CB 3.45Å; C665-C674 PolarHBondContact SG-N 2.84Å; C665-C674 VanDerWaalsContact SG-N 3.42Å; C665-C674 CovalentContact SG-SG 2.04Å; C665-C674 PolarHBondContact SG-SG 2.79Å; C665-G680 CarbonylContact O-C 3.42Å; C665-G680 WeakPolarHBondContact O-CA 3.42Å; C665-G681 PolarHBondContact N-O 2.9Å; C665-G681 PolarHBondContact O-N 3.24Å
666	D	94.6	Very high	93.8	Very high	88 Å²	88	47.4 Å²	47.4	47%	0.471	26%	0.258	S	S	.	.			trans	-62.5	155.5	173.5	-73.6	-41.1	0	0	0	112.4	R654 G655 G668 W669 G680	R654-D666 WeakPolarHBondContact CA-OD2 3.47Å; R654-D666 WeakPolarHBondContact O-CB 3.27Å; R654-D666 PolarHBondContact O-N 3.01Å; G655-D666 PolarHBondContact N-OD2 2.87Å; D666-G668 PolarHBondContact O-N 3.37Å; D666-G668 VanDerWaalsContact O-N 3.1Å; D666-W669 PolarHBondContact O-N 2.77Å; D666-G680 VanDerWaalsContact O-CA 3.32Å; D666-G680 WeakPolarHBondContact O-CA 3.41Å
667	N	91.6	Very high	93.7	Very high	106 Å²	106	49.2 Å²	49.2	57%	0.567	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	114.7	172.1	-89.3	-24.8	0	0	0	111.9	M689	N667-M689 HydrophobicContact CB-CE 3.36Å; N667-M689 VanDerWaalsContact CG-CE 3.42Å; N667-M689 WeakPolarHBondContact OD1-CE 3.21Å
668	G	90.8	Very high	93.5	Very high	29 Å²	29	50.4 Å²	50.4	30%	0.299	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	106.9	-7.2	-175.7	0	0	0	0	0	114.8	D666 A677 G678	D666-G668 PolarHBondContact O-N 3.37Å; D666-G668 VanDerWaalsContact O-N 3.1Å; G668-A677 CarbonylContact O-C 3.59Å; G668-A677 VanDerWaalsContact O-CA 3.32Å; G668-A677 WeakPolarHBondContact O-CA 3.3Å; G668-G678 CarbonylContact C-O 3.48Å; G668-G678 VanDerWaalsContact CA-O 3.27Å; G668-G678 WeakPolarHBondContact CA-O 3.39Å; G668-G678 PolarHBondContact O-N 2.84Å
669	W	95.4	Very high	93.4	Very high	67 Å²	67	55.3 Å²	55.3	25%	0.254	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	157.5	179.4	-60.8	98.4	0	0	0	112.3	R654 C665 D666 C674 K676 G678 R679 G680	R654-W669 HydrophobicContact CB-CD2 4.31Å; R654-W669 HydrophobicContact CB-CG 3.97Å; R654-W669 HydrophobicContact CG-CD2 4.32Å; R654-W669 HydrophobicContact CG-CG 4.4Å; R654-W669 VanDerWaalsContact CZ-CH2 3.43Å; R654-W669 VanDerWaalsContact CZ-CZ2 3.43Å; C665-W669 HydrophobicContact CB-CB 4.11Å; D666-W669 PolarHBondContact O-N 2.77Å; W669-C674 HydrophobicContact CB-CB 4.05Å; W669-K676 CarbonylContact C-O 3.47Å; W669-K676 WeakPolarHBondContact CA-O 3.41Å; W669-K676 VanDerWaalsContact CE3-O 3.29Å; W669-G678 VanDerWaalsContact C-CA 3.49Å; W669-G678 CarbonylContact O-C 3.47Å; W669-G678 WeakPolarHBondContact O-CA 3.03Å; W669-R679 PolarHBondContact O-N 3.05Å; W669-G680 WeakPolarHBondContact O-CA 3.48Å; W669-G680 PolarHBondContact O-N 3.43Å
670	A	93.2	Very high	93.7	Very high	23 Å²	23	53.7 Å²	53.7	19%	0.19	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132.6	-178.4	0	0	0	0	0	111.2	C665 C674 K676	C665-A670 VanDerWaalsContact SG-C 3.56Å; A670-C674 VanDerWaalsContact O-CA 3.24Å; A670-C674 WeakPolarHBondContact O-CA 3.43Å; A670-C674 PolarHBondContact O-N 2.97Å; A670-C674 VanDerWaalsContact O-N 3.08Å; A670-K676 HydrophobicContact CB-CB 4.29Å; A670-K676 PolarHBondContact N-O 3.28Å
671	P	94.1	Very high	93.9	Very high	41 Å²	41	50.1 Å²	50.1	27%	0.266	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	159.2	163.9	29.2	-34.9	0	0	0	110.5	C665 I683	C665-P671 VanDerWaalsContact SG-CA 3.55Å; C665-P671 VanDerWaalsContact SG-N 3.41Å; P671-I683 HydrophobicContact CB-CG2 3.85Å; P671-I683 HydrophobicContact CG-CG2 4.29Å
672	P	94.6	Very high	94	Very high	75 Å²	75	49.7 Å²	49.7	49%	0.487	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	cis	-85.7	-18.1	12.2	31.8	-35.2	0	0	0	116.3	C663 I683	C663-P672 VanDerWaalsContact CB-O 3.23Å; C663-P672 WeakPolarHBondContact CB-O 3.24Å; C663-P672 PolarHBondContact SG-O 3.25Å; P672-I683 HydrophobicContact CB-CG2 4.33Å
673	N	95.3	Very high	93.9	Very high	68 Å²	68	51.1 Å²	51.1	36%	0.364	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	6.5	-168.8	-61.4	19.2	0	0	0	114	T650 C651 S652 N675	T650-N673 WeakPolarHBondContact O-CA 3.3Å; T650-N673 WeakPolarHBondContact O-CB 3.29Å; C651-N673 CarbonylContact C-O 3.59Å; S652-N673 PolarHBondContact OG-O 3.06Å; N673-N675 PolarHBondContact O-N 3.42Å
674	C	96.5	Very high	93.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.296	C	S	.	.	S	Bend	trans	55.5	19.8	-178.7	-37.5	0	0	0	0	115.6	C651 R654 C663 C665 W669 A670	C651-C674 WeakPolarHBondContact O-CB 3.49Å; R654-C674 HydrophobicContact CB-CB 3.9Å; R654-C674 WeakPolarHBondContact O-CB 3.15Å; C663-C674 VanDerWaalsContact CB-SG 3.56Å; C665-C674 WeakPolarHBondContact CA-SG 3.47Å; C665-C674 HydrophobicContact CB-CB 3.81Å; C665-C674 WeakPolarHBondContact CB-SG 3.39Å; C665-C674 WeakPolarHBondContact SG-CA 3.47Å; C665-C674 WeakPolarHBondContact SG-CB 3.45Å; C665-C674 PolarHBondContact SG-N 2.84Å; C665-C674 VanDerWaalsContact SG-N 3.42Å; C665-C674 CovalentContact SG-SG 2.04Å; C665-C674 PolarHBondContact SG-SG 2.79Å; W669-C674 HydrophobicContact CB-CB 4.05Å; A670-C674 VanDerWaalsContact O-CA 3.24Å; A670-C674 WeakPolarHBondContact O-CA 3.43Å; A670-C674 PolarHBondContact O-N 2.97Å; A670-C674 VanDerWaalsContact O-N 3.08Å
675	N	96	Very high	92.9	Very high	86 Å²	86	51.8 Å²	51.8	46%	0.46	29%	0.292	S	S	.	.			trans	-90.3	-9.3	-178.6	64.7	-0	0	0	0	114.4	S652 N673	S652-N675 WeakPolarHBondContact OG-CB 3.45Å; N673-N675 PolarHBondContact O-N 3.42Å
676	K	95.4	Very high	92.3	Very high	147 Å²	147	52.2 Å²	52.2	64%	0.639	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.7	150.6	179.7	-70.3	169.3	-174.3	175.1	0	110.3	W669 A670	W669-K676 CarbonylContact C-O 3.47Å; W669-K676 WeakPolarHBondContact CA-O 3.41Å; W669-K676 VanDerWaalsContact CE3-O 3.29Å; A670-K676 HydrophobicContact CB-CB 4.29Å; A670-K676 PolarHBondContact N-O 3.28Å
677	A	93.7	Very high	92.1	Very high	86 Å²	86	49.6 Å²	49.6	71%	0.711	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.6	140.3	173.1	0	0	0	0	0	111	G668	G668-A677 CarbonylContact O-C 3.59Å; G668-A677 VanDerWaalsContact O-CA 3.32Å; G668-A677 WeakPolarHBondContact O-CA 3.3Å
678	G	91.7	Very high	92	Very high	28 Å²	28	45.2 Å²	45.2	29%	0.289	26%	0.263	S	S	.	.			trans	-168.7	-160	-171.5	0	0	0	0	0	114.3	G668 W669	G668-G678 CarbonylContact C-O 3.48Å; G668-G678 VanDerWaalsContact CA-O 3.27Å; G668-G678 WeakPolarHBondContact CA-O 3.39Å; G668-G678 PolarHBondContact O-N 2.84Å; W669-G678 VanDerWaalsContact C-CA 3.49Å; W669-G678 CarbonylContact O-C 3.47Å; W669-G678 WeakPolarHBondContact O-CA 3.03Å
679	R	90.2	Very high	91.8	Very high	103 Å²	103	47.4 Å²	47.4	39%	0.389	27%	0.266	S	S	.	.			trans	-110.2	12.4	-170.6	-64.3	-179.3	-165	172	-0.6	113.5	W669 P687 A688 M689 D691	W669-R679 PolarHBondContact O-N 3.05Å; R679-P687 HydrophobicContact CB-CB 3.97Å; R679-A688 CarbonylContact O-C 3.49Å; R679-A688 WeakPolarHBondContact O-CA 3.25Å; R679-A688 WeakPolarHBondContact O-CB 3.05Å; R679-A688 PolarHBondContact O-N 2.04Å; R679-M689 HydrophobicContact CB-CB 4.05Å; R679-M689 WeakPolarHBondContact O-CG 3.32Å; R679-M689 PolarHBondContact O-N 3.47Å; R679-D691 IonicContact CZ-OD2 2.81Å; R679-D691 VanDerWaalsContact CZ-OD2 3.26Å; R679-D691 IonicContact NH1-OD2 3.37Å; R679-D691 PolarHBondContact NH1-OD2 2.86Å; R679-D691 IonicContact NH2-OD1 3.58Å; R679-D691 IonicContact NH2-OD2 3.61Å; R679-D691 PolarHBondContact NH2-OD2 2.74Å
680	G	93	Very high	91.4	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.01	27%	0.266	C	S	.	.			trans	65.8	-177.1	-170.7	0	0	0	0	0	113.5	C665 D666 W669 P687 A688	C665-G680 CarbonylContact O-C 3.42Å; C665-G680 WeakPolarHBondContact O-CA 3.42Å; D666-G680 VanDerWaalsContact O-CA 3.32Å; D666-G680 WeakPolarHBondContact O-CA 3.41Å; W669-G680 WeakPolarHBondContact O-CA 3.48Å; W669-G680 PolarHBondContact O-N 3.43Å; G680-P687 WeakPolarHBondContact O-CA 3.38Å; G680-A688 PolarHBondContact O-N 2.64Å; G680-A688 VanDerWaalsContact O-N 3.11Å
681	G	93.1	Very high	90.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	84.8	179.5	-179.9	0	0	0	0	0	113.9	C665 G686	C665-G681 PolarHBondContact N-O 2.9Å; C665-G681 PolarHBondContact O-N 3.24Å; G681-G686 WeakPolarHBondContact CA-O 3.29Å
682	S	93.5	Very high	89.9	Confident	4 Å²	4	51.7 Å²	51.7	3%	0.028	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	171.5	175.9	-168.9	0	0	0	0	111.9	C663 D684 S685	C663-S682 PolarHBondContact O-OG 2.86Å; S682-D684 PolarHBondContact O-N 2.77Å; S682-D684 PolarHBondContact OG-N 3.42Å; S682-D684 PolarHBondContact OG-OD2 3.42Å; S682-S685 PolarHBondContact N-OG 2.72Å
683	I	91.1	Very high	89	Confident	99 Å²	99	51.9 Å²	51.9	51%	0.508	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.8	160.6	60.5	-178.6	0	0	0	112	H662 P671 P672	H662-I683 HydrophobicContact CB-CD1 4.39Å; H662-I683 HydrophobicContact CB-CG1 4.26Å; P671-I683 HydrophobicContact CB-CG2 3.85Å; P671-I683 HydrophobicContact CG-CG2 4.29Å; P672-I683 HydrophobicContact CB-CG2 4.33Å
684	D	87.6	Confident	88	Confident	34 Å²	34	55 Å²	55	18%	0.182	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-42.5	-175.2	-33.1	-69.2	0	0	0	113.3	F496 N658 Q660 H662 S682	F496-D684 HydrophobicContact CD1-CB 4.41Å; F496-D684 HydrophobicContact CD2-CB 3.82Å; F496-D684 HydrophobicContact CE1-CB 4.06Å; F496-D684 HydrophobicContact CE2-CB 3.4Å; F496-D684 VanDerWaalsContact CE2-CB 3.4Å; F496-D684 HydrophobicContact CG-CB 4.31Å; F496-D684 HydrophobicContact CZ-CB 3.54Å; N658-D684 PolarHBondContact ND2-OD2 3.48Å; Q660-D684 PolarHBondContact OE1-OD1 2.96Å; H662-D684 WeakPolarHBondContact CB-OD2 3.29Å; H662-D684 IonicContact CE1-OD1 2.8Å; H662-D684 PolarHBondContact CE1-OD1 3.47Å; H662-D684 IonicContact CG-OD1 3.72Å; H662-D684 IonicContact CG-OD2 2.73Å; H662-D684 VanDerWaalsContact ND1-CG 3.34Å; H662-D684 IonicContact ND1-OD1 3.84Å; H662-D684 PolarHBondContact ND1-OD1 2.99Å; H662-D684 IonicContact ND1-OD2 3.07Å; H662-D684 PolarHBondContact ND1-OD2 3.33Å; H662-D684 VanDerWaalsContact ND1-OD2 3.16Å; S682-D684 PolarHBondContact O-N 2.77Å; S682-D684 PolarHBondContact OG-N 3.42Å; S682-D684 PolarHBondContact OG-OD2 3.42Å
685	S	83.6	Confident	87.2	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	4.8	-170.3	68.1	0	0	0	0	114.9	Y484 H664 S682	Y484-S685 PolarHBondContact N-O 3.42Å; H664-S685 PolarHBondContact CE1-OG 2.88Å; H664-S685 PolarHBondContact ND1-OG 2.93Å; S682-S685 PolarHBondContact N-OG 2.72Å
686	G	84.1	Confident	86.5	Confident	11 Å²	11	60.7 Å²	60.7	11%	0.113	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	79	170.1	-177.2	0	0	0	0	0	114.1	G681	G681-G686 WeakPolarHBondContact CA-O 3.29Å
687	P	90.1	Very high	85.9	Confident	34 Å²	34	55.5 Å²	55.5	22%	0.221	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	138.8	179.8	29.6	-33.7	0	0	0	110.9	A468 G469 Y484 R679 G680 M689	A468-P687 HydrophobicContact CB-CG 4.28Å; G469-P687 WeakPolarHBondContact CA-O 3.41Å; Y484-P687 WeakPolarHBondContact CB-O 3.19Å; R679-P687 HydrophobicContact CB-CB 3.97Å; G680-P687 WeakPolarHBondContact O-CA 3.38Å; P687-M689 VanDerWaalsContact C-N 3.32Å; P687-M689 PolarHBondContact O-N 3.29Å
688	A	89.1	Confident	85.5	Confident	13 Å²	13	55.4 Å²	55.4	11%	0.107	30%	0.296	C	S	.	.	S	Bend	trans	-76.6	-12.7	-178.6	0	0	0	0	0	115.1	Y484 R679 G680	Y484-A688 HydrophobicContact CD2-CB 4.19Å; Y484-A688 HydrophobicContact CE1-CB 4.2Å; Y484-A688 WeakPolarHBondContact CE1-O 3.3Å; Y484-A688 HydrophobicContact CE2-CB 3.64Å; R679-A688 CarbonylContact O-C 3.49Å; R679-A688 WeakPolarHBondContact O-CA 3.25Å; R679-A688 WeakPolarHBondContact O-CB 3.05Å; R679-A688 PolarHBondContact O-N 2.04Å; G680-A688 PolarHBondContact O-N 2.64Å; G680-A688 VanDerWaalsContact O-N 3.11Å
689	M	87.3	Confident	85.3	Confident	76 Å²	76	58.3 Å²	58.3	37%	0.374	30%	0.304	S	S	.	.	S	Bend	trans	-122.1	141.2	-179.3	-63.5	-168.2	-175.7	0	0	114.3	N667 R679 P687	N667-M689 HydrophobicContact CB-CE 3.36Å; N667-M689 VanDerWaalsContact CG-CE 3.42Å; N667-M689 WeakPolarHBondContact OD1-CE 3.21Å; R679-M689 HydrophobicContact CB-CB 4.05Å; R679-M689 WeakPolarHBondContact O-CG 3.32Å; R679-M689 PolarHBondContact O-N 3.47Å; P687-M689 VanDerWaalsContact C-N 3.32Å; P687-M689 PolarHBondContact O-N 3.29Å
690	I	85.5	Confident	85.2	Confident	49 Å²	49	58 Å²	58	25%	0.251	31%	0.309	S	S	.	.			trans	-70.4	136	171.1	-59.6	175.1	0	0	0	111.3	V467 A468 G469 Y692	V467-I690 HydrophobicContact CB-CG2 4.42Å; V467-I690 HydrophobicContact CG2-CD1 3.88Å; V467-I690 HydrophobicContact CG2-CG1 4.05Å; V467-I690 HydrophobicContact CG2-CG2 3.7Å; A468-I690 WeakPolarHBondContact O-CA 3.45Å; G469-I690 WeakPolarHBondContact O-CG1 3.49Å; I690-Y692 HydrophobicContact CB-CE1 4.37Å; I690-Y692 HydrophobicContact CB-CE2 4.15Å; I690-Y692 HydrophobicContact CG2-CD1 4.27Å; I690-Y692 HydrophobicContact CG2-CE1 3.81Å; I690-Y692 HydrophobicContact CG2-CE2 4.39Å; I690-Y692 PolarHBondContact O-N 3.1Å
691	D	77.8	Confident	85.1	Confident	66 Å²	66	62.5 Å²	62.5	35%	0.353	33%	0.329	S	S	.	.			trans	-78.9	106.3	174.5	-164.5	-4.5	0	0	0	112.5	R679 S693	R679-D691 IonicContact CZ-OD2 2.81Å; R679-D691 VanDerWaalsContact CZ-OD2 3.26Å; R679-D691 IonicContact NH1-OD2 3.37Å; R679-D691 PolarHBondContact NH1-OD2 2.86Å; R679-D691 IonicContact NH2-OD1 3.58Å; R679-D691 IonicContact NH2-OD2 3.61Å; R679-D691 PolarHBondContact NH2-OD2 2.74Å; D691-S693 WeakPolarHBondContact OD1-CB 3.4Å; D691-S693 PolarHBondContact OD1-N 3.14Å; D691-S693 PolarHBondContact OD1-OG 2.93Å
692	Y	77.8	Confident	85	Confident	106 Å²	106	68.5 Å²	68.5	42%	0.416	36%	0.355	S	S	.	.			trans	-91.1	0.1	172.7	-60.4	-64.2	0	0	0	113.9	I690 L694 R695 N696	I690-Y692 HydrophobicContact CB-CE1 4.37Å; I690-Y692 HydrophobicContact CB-CE2 4.15Å; I690-Y692 HydrophobicContact CG2-CD1 4.27Å; I690-Y692 HydrophobicContact CG2-CE1 3.81Å; I690-Y692 HydrophobicContact CG2-CE2 4.39Å; I690-Y692 PolarHBondContact O-N 3.1Å; Y692-L694 PolarHBondContact O-N 3.08Å; Y692-R695 PolarHBondContact O-N 2.92Å; Y692-N696 WeakPolarHBondContact O-CB 3.24Å; Y692-N696 PolarHBondContact O-N 3.06Å; Y692-N696 PolarHBondContact O-OD1 3.49Å
693	S	76.2	Confident	85	Confident	79 Å²	79	74.6 Å²	74.6	55%	0.552	39%	0.387	S	S	*	.	H	α-helix	trans	-60.9	-42.5	-171.9	-47.9	0	0	0	0	112.5	D691 G697	D691-S693 WeakPolarHBondContact OD1-CB 3.4Å; D691-S693 PolarHBondContact OD1-N 3.14Å; D691-S693 PolarHBondContact OD1-OG 2.93Å; S693-G697 PolarHBondContact O-N 3.05Å
694	L	74.7	Confident	85	Confident	134 Å²	134	74.6 Å²	74.6	70%	0.702	39%	0.387	S	S	*	.	H	α-helix	trans	-65.3	-45.6	177.2	-175.6	68	0	0	0	111.9	Y692 G697 L698	Y692-L694 PolarHBondContact O-N 3.08Å; L694-G697 PolarHBondContact O-N 3.07Å; L694-L698 HydrophobicContact CG-CD1 4.17Å; L694-L698 WeakPolarHBondContact O-CB 3.49Å; L694-L698 WeakPolarHBondContact O-CG 3.49Å; L694-L698 PolarHBondContact O-N 2.75Å
695	R	80.4	Confident	85.2	Confident	134 Å²	134	76.3 Å²	76.3	51%	0.506	40%	0.396	S	S	.	.	H	α-helix	trans	-61.3	-47.5	177.5	-175.7	-173.1	70.2	-170.8	-0.8	111	Y692 L698 L699	Y692-R695 PolarHBondContact O-N 2.92Å; R695-L698 PolarHBondContact O-N 3.46Å; R695-L699 HydrophobicContact CG-CD1 4.19Å; R695-L699 WeakPolarHBondContact O-CG 3.29Å; R695-L699 PolarHBondContact O-N 3.22Å
696	N	80.6	Confident	85.7	Confident	70 Å²	70	78.7 Å²	78.7	37%	0.374	41%	0.41	S	S	.	.	H	α-helix	trans	-66.9	-39.3	-179.2	-63.8	-3.8	0	0	0	110.6	Y692 L699 I700	Y692-N696 WeakPolarHBondContact O-CB 3.24Å; Y692-N696 PolarHBondContact O-N 3.06Å; Y692-N696 PolarHBondContact O-OD1 3.49Å; N696-L699 PolarHBondContact O-N 3.05Å; N696-I700 WeakPolarHBondContact O-CD1 3.01Å; N696-I700 VanDerWaalsContact O-CG1 3.26Å; N696-I700 WeakPolarHBondContact O-CG1 3Å; N696-I700 PolarHBondContact O-N 3.33Å
697	G	82.5	Confident	86.2	Confident	38 Å²	38	81.2 Å²	81.2	39%	0.392	42%	0.424	S	S	.	.	H	α-helix	trans	-61.3	-45	173.1	0	0	0	0	0	113	S693 L694 I700 F701	S693-G697 PolarHBondContact O-N 3.05Å; L694-G697 PolarHBondContact O-N 3.07Å; G697-I700 PolarHBondContact O-N 3.21Å; G697-F701 VanDerWaalsContact O-CB 3.32Å; G697-F701 WeakPolarHBondContact O-CB 3.05Å; G697-F701 PolarHBondContact O-N 2.02Å
698	L	86.1	Confident	86.4	Confident	84 Å²	84	84.8 Å²	84.8	44%	0.44	44%	0.441	S	S	.	.	H	α-helix	trans	-62.8	-42.5	174.1	-74.3	164.9	0	0	0	112	L694 R695 F701 F702	L694-L698 HydrophobicContact CG-CD1 4.17Å; L694-L698 WeakPolarHBondContact O-CB 3.49Å; L694-L698 WeakPolarHBondContact O-CG 3.49Å; L694-L698 PolarHBondContact O-N 2.75Å; R695-L698 PolarHBondContact O-N 3.46Å; L698-F701 PolarHBondContact O-N 3.35Å; L698-F702 HydrophobicContact CB-CD2 4.5Å; L698-F702 HydrophobicContact CD2-CE2 3.98Å; L698-F702 VanDerWaalsContact O-CD2 3.22Å; L698-F702 WeakPolarHBondContact O-CD2 3.35Å; L698-F702 PolarHBondContact O-N 2.78Å
699	L	87.6	Confident	86.6	Confident	89 Å²	89	88.7 Å²	88.7	47%	0.466	46%	0.46	S	S	.	.	H	α-helix	trans	-62.8	-44.3	175.9	-72.5	170.3	0	0	0	111.9	R695 N696 F701 L703	R695-L699 HydrophobicContact CG-CD1 4.19Å; R695-L699 WeakPolarHBondContact O-CG 3.29Å; R695-L699 PolarHBondContact O-N 3.22Å; N696-L699 PolarHBondContact O-N 3.05Å; L699-F701 VanDerWaalsContact C-N 3.34Å; L699-F701 PolarHBondContact O-N 3.44Å; L699-L703 HydrophobicContact CB-CD1 4.48Å; L699-L703 HydrophobicContact CD2-CD1 4.22Å; L699-L703 WeakPolarHBondContact O-CB 3.46Å; L699-L703 VanDerWaalsContact O-CG 3.31Å; L699-L703 WeakPolarHBondContact O-CG 3.29Å; L699-L703 PolarHBondContact O-N 2.79Å
700	I	88.1	Confident	86.9	Confident	98 Å²	98	88.8 Å²	88.8	50%	0.503	46%	0.464	S	S	.	.	H	α-helix	trans	-62.8	-42.2	174.4	-67.5	162.8	0	0	0	110.5	N696 G697 L704 I705	N696-I700 WeakPolarHBondContact O-CD1 3.01Å; N696-I700 VanDerWaalsContact O-CG1 3.26Å; N696-I700 WeakPolarHBondContact O-CG1 3Å; N696-I700 PolarHBondContact O-N 3.33Å; G697-I700 PolarHBondContact O-N 3.21Å; I700-L704 WeakPolarHBondContact O-CA 3.18Å; I700-L704 VanDerWaalsContact O-CB 3.26Å; I700-L704 WeakPolarHBondContact O-CB 3.45Å; I700-L704 PolarHBondContact O-N 3.49Å; I700-I705 PolarHBondContact O-N 2.76Å; I700-I705 VanDerWaalsContact O-N 3.17Å
701	F	90.1	Very high	87.2	Confident	95 Å²	95	88.7 Å²	88.7	42%	0.417	47%	0.471	S	S	.	.	I	π-helix	trans	-61.6	-50.7	178.3	-174.6	-94.6	0	0	0	111.8	G697 L698 L699 I705 V706	G697-F701 VanDerWaalsContact O-CB 3.32Å; G697-F701 WeakPolarHBondContact O-CB 3.05Å; G697-F701 PolarHBondContact O-N 2.02Å; L698-F701 PolarHBondContact O-N 3.35Å; L699-F701 VanDerWaalsContact C-N 3.34Å; L699-F701 PolarHBondContact O-N 3.44Å; F701-I705 HydrophobicContact CD2-CB 4.17Å; F701-I705 HydrophobicContact CD2-CD1 4.02Å; F701-I705 HydrophobicContact CD2-CG2 4.2Å; F701-I705 HydrophobicContact CE2-CG2 4.18Å; F701-I705 WeakPolarHBondContact O-CB 3.26Å; F701-I705 PolarHBondContact O-N 2.85Å; F701-V706 HydrophobicContact CD1-CG2 3.98Å; F701-V706 HydrophobicContact CE1-CG2 3.67Å; F701-V706 HydrophobicContact CZ-CG2 4.22Å; F701-V706 WeakPolarHBondContact O-CG2 3.39Å; F701-V706 PolarHBondContact O-N 3.09Å
702	F	92.1	Very high	87.9	Confident	126 Å²	126	87.9 Å²	87.9	55%	0.553	47%	0.473	S	S	*	.	I	π-helix	trans	-77.3	-30.7	-177.3	-74.3	-63.8	0	0	0	114.8	L698 V706 P707	L698-F702 HydrophobicContact CB-CD2 4.5Å; L698-F702 HydrophobicContact CD2-CE2 3.98Å; L698-F702 VanDerWaalsContact O-CD2 3.22Å; L698-F702 WeakPolarHBondContact O-CD2 3.35Å; L698-F702 PolarHBondContact O-N 2.78Å; F702-V706 HydrophobicContact CD1-CG2 4.23Å; F702-P707 WeakPolarHBondContact O-CD 3.49Å
703	L	92.6	Very high	88.6	Confident	132 Å²	132	87.4 Å²	87.4	69%	0.691	48%	0.477	S	S	*	.	I	π-helix	trans	-95.4	-19.2	-177.2	-60.3	175	0	0	0	114	L699	L699-L703 HydrophobicContact CB-CD1 4.48Å; L699-L703 HydrophobicContact CD2-CD1 4.22Å; L699-L703 WeakPolarHBondContact O-CB 3.46Å; L699-L703 VanDerWaalsContact O-CG 3.31Å; L699-L703 WeakPolarHBondContact O-CG 3.29Å; L699-L703 PolarHBondContact O-N 2.79Å
704	L	91.7	Very high	89.4	Confident	99 Å²	99	88.8 Å²	88.8	52%	0.518	48%	0.477	S	S	.	.	I	π-helix	trans	-122.1	-53.3	-178.1	-169.6	152.1	0	0	0	111.9	I700 L708	I700-L704 WeakPolarHBondContact O-CA 3.18Å; I700-L704 VanDerWaalsContact O-CB 3.26Å; I700-L704 WeakPolarHBondContact O-CB 3.45Å; I700-L704 PolarHBondContact O-N 3.49Å; L704-L708 HydrophobicContact CD2-CD1 3.66Å; L704-L708 HydrophobicContact CG-CD1 4.27Å; L704-L708 WeakPolarHBondContact O-CB 3.32Å; L704-L708 WeakPolarHBondContact O-CG 3.39Å; L704-L708 PolarHBondContact O-N 2.92Å
705	I	92	Very high	90.1	Very high	70 Å²	70	86.7 Å²	86.7	36%	0.359	47%	0.47	S	S	.	.	I	π-helix	trans	-71.3	-48.5	-174.2	-58.7	178	0	0	0	111.5	I700 F701 L708 L709	I700-I705 PolarHBondContact O-N 2.76Å; I700-I705 VanDerWaalsContact O-N 3.17Å; F701-I705 HydrophobicContact CD2-CB 4.17Å; F701-I705 HydrophobicContact CD2-CD1 4.02Å; F701-I705 HydrophobicContact CD2-CG2 4.2Å; F701-I705 HydrophobicContact CE2-CG2 4.18Å; F701-I705 WeakPolarHBondContact O-CB 3.26Å; F701-I705 PolarHBondContact O-N 2.85Å; I705-L708 PolarHBondContact O-N 3.13Å; I705-L709 HydrophobicContact CG2-CD1 3.91Å; I705-L709 HydrophobicContact CG2-CG 4.3Å; I705-L709 WeakPolarHBondContact O-CG 3.25Å; I705-L709 PolarHBondContact O-N 2.98Å
706	V	93.7	Very high	90.5	Very high	49 Å²	49	85 Å²	85	30%	0.297	47%	0.47	S	S	.	.	H	α-helix	trans	-61.3	-47.3	179.7	170.8	0	0	0	0	112.2	F701 F702 L708 L709 V710	F701-V706 HydrophobicContact CD1-CG2 3.98Å; F701-V706 HydrophobicContact CE1-CG2 3.67Å; F701-V706 HydrophobicContact CZ-CG2 4.22Å; F701-V706 WeakPolarHBondContact O-CG2 3.39Å; F701-V706 PolarHBondContact O-N 3.09Å; F702-V706 HydrophobicContact CD1-CG2 4.23Å; V706-L708 PolarHBondContact O-N 2.96Å; V706-L709 PolarHBondContact O-N 2.91Å; V706-V710 HydrophobicContact CG1-CG2 4.46Å; V706-V710 WeakPolarHBondContact O-CG2 3.39Å; V706-V710 PolarHBondContact O-N 2.99Å
707	P	93.4	Very high	90.8	Very high	64 Å²	64	86.7 Å²	86.7	42%	0.416	48%	0.479	S	S	.	.	H	α-helix	trans	-62	-38	175.4	-27.9	38.5	0	0	0	113.8	F702 V710 A711	F702-P707 WeakPolarHBondContact O-CD 3.49Å; P707-V710 PolarHBondContact O-N 2.92Å; P707-A711 WeakPolarHBondContact O-CB 3.3Å; P707-A711 PolarHBondContact O-N 3.39Å
708	L	94.2	Very high	91	Very high	109 Å²	109	92 Å²	92	57%	0.571	49%	0.488	S	S	*	.	H	α-helix	trans	-66.4	-39.7	174.9	-73.4	175.9	0	0	0	112.3	L704 I705 V706 A711 A712	L704-L708 HydrophobicContact CD2-CD1 3.66Å; L704-L708 HydrophobicContact CG-CD1 4.27Å; L704-L708 WeakPolarHBondContact O-CB 3.32Å; L704-L708 WeakPolarHBondContact O-CG 3.39Å; L704-L708 PolarHBondContact O-N 2.92Å; I705-L708 PolarHBondContact O-N 3.13Å; V706-L708 PolarHBondContact O-N 2.96Å; L708-A711 PolarHBondContact O-N 2.86Å; L708-A712 VanDerWaalsContact O-CB 3.31Å; L708-A712 WeakPolarHBondContact O-CB 3.45Å; L708-A712 PolarHBondContact O-N 2.76Å
709	L	93.1	Very high	90.9	Very high	96 Å²	96	91.1 Å²	91.1	50%	0.503	49%	0.486	S	S	.	.	H	α-helix	trans	-64.3	-43.9	174.2	-73.1	172.9	0	0	0	111.6	I705 V706 A712 I713	I705-L709 HydrophobicContact CG2-CD1 3.91Å; I705-L709 HydrophobicContact CG2-CG 4.3Å; I705-L709 WeakPolarHBondContact O-CG 3.25Å; I705-L709 PolarHBondContact O-N 2.98Å; V706-L709 PolarHBondContact O-N 2.91Å; L709-A712 PolarHBondContact O-N 3.24Å; L709-I713 WeakPolarHBondContact O-CB 3.47Å; L709-I713 VanDerWaalsContact O-CG1 3.25Å; L709-I713 WeakPolarHBondContact O-CG1 3.39Å; L709-I713 PolarHBondContact O-N 2.76Å
710	V	93.8	Very high	90.4	Very high	77 Å²	77	93.3 Å²	93.3	47%	0.467	49%	0.492	S	S	.	.	H	α-helix	trans	-62	-44.5	175.2	172.1	0	0	0	0	110.8	V706 P707 I713 L714	V706-V710 HydrophobicContact CG1-CG2 4.46Å; V706-V710 WeakPolarHBondContact O-CG2 3.39Å; V706-V710 PolarHBondContact O-N 2.99Å; P707-V710 PolarHBondContact O-N 2.92Å; V710-I713 PolarHBondContact O-N 3.03Å; V710-L714 HydrophobicContact CG1-CD1 4.01Å; V710-L714 HydrophobicContact CG1-CG 4.46Å; V710-L714 WeakPolarHBondContact O-CB 3.43Å; V710-L714 VanDerWaalsContact O-CG 3.29Å; V710-L714 WeakPolarHBondContact O-CG 3.49Å; V710-L714 PolarHBondContact O-N 3.42Å
711	A	92.9	Very high	89.7	Confident	47 Å²	47	95.9 Å²	95.9	39%	0.388	50%	0.5	S	S	.	.	H	α-helix	trans	-61.7	-43.5	175.6	0	0	0	0	0	112.1	P707 L708 L714 V715	P707-A711 WeakPolarHBondContact O-CB 3.3Å; P707-A711 PolarHBondContact O-N 3.39Å; L708-A711 PolarHBondContact O-N 2.86Å; A711-L714 PolarHBondContact O-N 2.76Å; A711-V715 WeakPolarHBondContact O-CG2 3.42Å; A711-V715 PolarHBondContact O-N 2.63Å
712	A	92.8	Very high	88.6	Confident	49 Å²	49	98.4 Å²	98.4	41%	0.405	51%	0.506	S	S	.	.	H	α-helix	trans	-63	-41.8	176.4	0	0	0	0	0	112.2	L708 L709 V715 L716	L708-A712 VanDerWaalsContact O-CB 3.31Å; L708-A712 WeakPolarHBondContact O-CB 3.45Å; L708-A712 PolarHBondContact O-N 2.76Å; L709-A712 PolarHBondContact O-N 3.24Å; A712-V715 PolarHBondContact O-N 2.8Å; A712-L716 WeakPolarHBondContact O-CB 3.33Å; A712-L716 WeakPolarHBondContact O-CG 3.37Å; A712-L716 PolarHBondContact O-N 3.26Å
713	I	92.5	Very high	87.2	Confident	97 Å²	97	96.3 Å²	96.3	50%	0.497	50%	0.501	S	S	.	.	H	α-helix	trans	-63.2	-43.4	174.2	-69.4	164.1	0	0	0	110.7	L709 V710 L716 L717	L709-I713 WeakPolarHBondContact O-CB 3.47Å; L709-I713 VanDerWaalsContact O-CG1 3.25Å; L709-I713 WeakPolarHBondContact O-CG1 3.39Å; L709-I713 PolarHBondContact O-N 2.76Å; V710-I713 PolarHBondContact O-N 3.03Å; I713-L716 PolarHBondContact O-N 3.48Å; I713-L717 HydrophobicContact CG2-CD1 3.95Å; I713-L717 HydrophobicContact CG2-CG 4.37Å; I713-L717 WeakPolarHBondContact O-CB 3.5Å; I713-L717 VanDerWaalsContact O-CG 3.27Å; I713-L717 WeakPolarHBondContact O-CG 3.49Å; I713-L717 PolarHBondContact O-N 2.98Å
714	L	91.4	Very high	85.7	Confident	107 Å²	107	93.5 Å²	93.5	56%	0.56	49%	0.492	S	S	*	.	H	α-helix	trans	-64.6	-38.5	176.6	-71.6	171.8	0	0	0	112.4	V710 A711 Y718	V710-L714 HydrophobicContact CG1-CD1 4.01Å; V710-L714 HydrophobicContact CG1-CG 4.46Å; V710-L714 WeakPolarHBondContact O-CB 3.43Å; V710-L714 VanDerWaalsContact O-CG 3.29Å; V710-L714 WeakPolarHBondContact O-CG 3.49Å; V710-L714 PolarHBondContact O-N 3.42Å; A711-L714 PolarHBondContact O-N 2.76Å; L714-Y718 WeakPolarHBondContact O-CB 3.48Å; L714-Y718 PolarHBondContact O-N 3.16Å
715	V	91.2	Very high	84	Confident	91 Å²	91	93.6 Å²	93.6	55%	0.552	49%	0.493	S	S	*	.	H	α-helix	trans	-66.1	-45.3	173.8	169.5	0	0	0	0	111	A711 A712 Y718 V719	A711-V715 WeakPolarHBondContact O-CG2 3.42Å; A711-V715 PolarHBondContact O-N 2.63Å; A712-V715 PolarHBondContact O-N 2.8Å; V715-Y718 WeakPolarHBondContact O-CB 3.12Å; V715-Y718 PolarHBondContact O-N 2.96Å; V715-V719 HydrophobicContact CG1-CG2 4.49Å; V715-V719 WeakPolarHBondContact O-CG2 3.34Å; V715-V719 PolarHBondContact O-N 2.98Å
716	L	87.6	Confident	82.2	Confident	98 Å²	98	92.9 Å²	92.9	51%	0.513	49%	0.49	S	S	.	.	H	α-helix	trans	-58.8	-48.2	174.4	-77.9	165.3	0	0	0	111.2	A712 I713 Y718 V719 F720	A712-L716 WeakPolarHBondContact O-CB 3.33Å; A712-L716 WeakPolarHBondContact O-CG 3.37Å; A712-L716 PolarHBondContact O-N 3.26Å; I713-L716 PolarHBondContact O-N 3.48Å; L716-Y718 VanDerWaalsContact C-N 3.3Å; L716-Y718 PolarHBondContact O-N 3.1Å; L716-V719 PolarHBondContact O-N 2.86Å; L716-F720 HydrophobicContact CB-CD2 4.44Å; L716-F720 HydrophobicContact CB-CE2 4.45Å; L716-F720 HydrophobicContact CD2-CE2 4.23Å; L716-F720 WeakPolarHBondContact O-CD2 3.39Å; L716-F720 PolarHBondContact O-N 3.44Å
717	L	87.6	Confident	80.4	Confident	105 Å²	105	95.9 Å²	95.9	55%	0.55	50%	0.503	S	S	.	.	H	α-helix	trans	-60.5	-38.9	175.7	-72.3	173	0	0	0	112	I713 K721	I713-L717 HydrophobicContact CG2-CD1 3.95Å; I713-L717 HydrophobicContact CG2-CG 4.37Å; I713-L717 WeakPolarHBondContact O-CB 3.5Å; I713-L717 VanDerWaalsContact O-CG 3.27Å; I713-L717 WeakPolarHBondContact O-CG 3.49Å; I713-L717 PolarHBondContact O-N 2.98Å; L717-K721 WeakPolarHBondContact O-CB 3.46Å; L717-K721 PolarHBondContact O-N 3.31Å
718	Y	86.6	Confident	78.5	Confident	150 Å²	150	96.9 Å²	96.9	59%	0.588	51%	0.51	S	S	*	.	H	α-helix	trans	-64.8	-43.9	174.8	177.2	-99.7	0	0	0	112.2	L714 V715 L716 K721 R722	L714-Y718 WeakPolarHBondContact O-CB 3.48Å; L714-Y718 PolarHBondContact O-N 3.16Å; V715-Y718 WeakPolarHBondContact O-CB 3.12Å; V715-Y718 PolarHBondContact O-N 2.96Å; L716-Y718 VanDerWaalsContact C-N 3.3Å; L716-Y718 PolarHBondContact O-N 3.1Å; Y718-K721 PolarHBondContact O-N 3.11Å; Y718-R722 VanDerWaalsContact O-CB 3.3Å; Y718-R722 WeakPolarHBondContact O-CB 3.08Å; Y718-R722 PolarHBondContact O-N 2.95Å
719	V	83.2	Confident	76.7	Confident	65 Å²	65	97.8 Å²	97.8	39%	0.394	52%	0.515	S	S	.	.	H	α-helix	trans	-64	-50.8	176.2	172.4	0	0	0	0	110.9	V715 L716 K721 R722 D723	V715-V719 HydrophobicContact CG1-CG2 4.49Å; V715-V719 WeakPolarHBondContact O-CG2 3.34Å; V715-V719 PolarHBondContact O-N 2.98Å; L716-V719 PolarHBondContact O-N 2.86Å; V719-K721 VanDerWaalsContact C-N 3.28Å; V719-K721 PolarHBondContact O-N 3.23Å; V719-R722 CarbonylContact O-C 3.21Å; V719-R722 WeakPolarHBondContact O-CA 3.17Å; V719-R722 WeakPolarHBondContact O-CB 3.05Å; V719-R722 PolarHBondContact O-N 3.49Å; V719-D723 PolarHBondContact O-N 2.8Å
720	F	77.3	Confident	74.7	Confident	136 Å²	136	100.8 Å²	100.8	60%	0.596	52%	0.524	S	S	*	.	H	α-helix	trans	-60.2	-36.2	176.7	-77.2	-61.6	0	0	0	112.7	L716 S724	L716-F720 HydrophobicContact CB-CD2 4.44Å; L716-F720 HydrophobicContact CB-CE2 4.45Å; L716-F720 HydrophobicContact CD2-CE2 4.23Å; L716-F720 WeakPolarHBondContact O-CD2 3.39Å; L716-F720 PolarHBondContact O-N 3.44Å; F720-S724 VanDerWaalsContact O-CB 3.23Å; F720-S724 WeakPolarHBondContact O-CB 3.02Å; F720-S724 PolarHBondContact O-N 3.35Å
721	K	73.2	Confident	72.6	Confident	152 Å²	152	107.6 Å²	107.6	66%	0.661	54%	0.542	S	S	*	.	H	α-helix	trans	-70.9	-34.3	175.3	-155.7	175.1	-167.7	179.8	0	111.8	L717 Y718 V719 L725	L717-K721 WeakPolarHBondContact O-CB 3.46Å; L717-K721 PolarHBondContact O-N 3.31Å; Y718-K721 PolarHBondContact O-N 3.11Å; V719-K721 VanDerWaalsContact C-N 3.28Å; V719-K721 PolarHBondContact O-N 3.23Å; K721-L725 WeakPolarHBondContact O-CB 3.35Å; K721-L725 WeakPolarHBondContact O-CD1 3.31Å; K721-L725 WeakPolarHBondContact O-CG 3.42Å; K721-L725 PolarHBondContact O-N 2.91Å
722	R	67.4	Low	70.2	Confident	147 Å²	147	116.3 Å²	116.3	56%	0.555	56%	0.564	S	S	*	*	H	α-helix	trans	-68.4	-46.2	174.2	-177.5	173.8	175.3	144.3	-3.3	111.8	Y718 V719 S724 L725 D726	Y718-R722 VanDerWaalsContact O-CB 3.3Å; Y718-R722 WeakPolarHBondContact O-CB 3.08Å; Y718-R722 PolarHBondContact O-N 2.95Å; V719-R722 CarbonylContact O-C 3.21Å; V719-R722 WeakPolarHBondContact O-CA 3.17Å; V719-R722 WeakPolarHBondContact O-CB 3.05Å; V719-R722 PolarHBondContact O-N 3.49Å; R722-S724 VanDerWaalsContact C-N 3.35Å; R722-S724 PolarHBondContact O-N 3.39Å; R722-L725 CarbonylContact O-C 3.52Å; R722-L725 WeakPolarHBondContact O-CB 3.17Å; R722-L725 PolarHBondContact O-N 3.47Å; R722-L725 VanDerWaalsContact O-N 3.15Å; R722-D726 PolarHBondContact O-N 3.45Å
723	D	62.1	Low	67.9	Low	82 Å²	82	123.8 Å²	123.8	44%	0.439	59%	0.588	S	S	.	*	H	α-helix	trans	-64.8	-39.3	177	-71.2	-20.3	0	0	0	111.7	V719 L725 D726 I727	V719-D723 PolarHBondContact O-N 2.8Å; D723-L725 VanDerWaalsContact C-N 3.34Å; D723-L725 PolarHBondContact O-N 2.03Å; D723-D726 PolarHBondContact O-N 3.42Å; D723-I727 WeakPolarHBondContact O-CG1 3.27Å; D723-I727 PolarHBondContact O-N 2.9Å
724	S	61.7	Low	65.3	Low	73 Å²	73	129 Å²	129	51%	0.51	61%	0.607	S	S	.	*	H	α-helix	trans	-62.4	-38.4	172.2	-172.2	0	0	0	0	112.5	F720 R722 C728	F720-S724 VanDerWaalsContact O-CB 3.23Å; F720-S724 WeakPolarHBondContact O-CB 3.02Å; F720-S724 PolarHBondContact O-N 3.35Å; R722-S724 VanDerWaalsContact C-N 3.35Å; R722-S724 PolarHBondContact O-N 3.39Å; S724-C728 PolarHBondContact O-N 3.22Å; S724-C728 VanDerWaalsContact O-N 3.11Å
725	L	56	Low	62.7	Low	101 Å²	101	130.3 Å²	130.3	53%	0.529	62%	0.62	S	S	.	*	H	α-helix	trans	-69.1	-38.9	173.2	-83.7	163.3	0	0	0	112.8	K721 R722 D723 I727 C728 L729	K721-L725 WeakPolarHBondContact O-CB 3.35Å; K721-L725 WeakPolarHBondContact O-CD1 3.31Å; K721-L725 WeakPolarHBondContact O-CG 3.42Å; K721-L725 PolarHBondContact O-N 2.91Å; R722-L725 CarbonylContact O-C 3.52Å; R722-L725 WeakPolarHBondContact O-CB 3.17Å; R722-L725 PolarHBondContact O-N 3.47Å; R722-L725 VanDerWaalsContact O-N 3.15Å; D723-L725 VanDerWaalsContact C-N 3.34Å; D723-L725 PolarHBondContact O-N 2.03Å; L725-I727 VanDerWaalsContact C-N 3.35Å; L725-C728 PolarHBondContact O-N 2.92Å; L725-L729 WeakPolarHBondContact O-CB 3.25Å; L725-L729 WeakPolarHBondContact O-CG 3.34Å; L725-L729 PolarHBondContact O-N 3.47Å
726	D	55.1	Low	60.1	Low	56 Å²	56	137.1 Å²	137.1	30%	0.299	64%	0.636	S	S	.	*	H	α-helix	trans	-65.3	-37.7	177.4	-122	-55	0	0	0	111.6	R722 D723 L729 K730	R722-D726 PolarHBondContact O-N 3.45Å; D723-D726 PolarHBondContact O-N 3.42Å; D726-L729 PolarHBondContact O-N 2.96Å; D726-K730 WeakPolarHBondContact O-CB 3.49Å; D726-K730 WeakPolarHBondContact O-CG 3.28Å; D726-K730 PolarHBondContact O-N 2.96Å; D726-K730 VanDerWaalsContact OD1-CE 3.24Å; D726-K730 WeakPolarHBondContact OD1-CE 3.46Å; D726-K730 IonicContact OD1-NZ 3.43Å; D726-K730 PolarHBondContact OD1-NZ 3.22Å
727	I	55.6	Low	57.4	Low	112 Å²	112	137 Å²	137	57%	0.574	64%	0.642	S	S	*	*	H	α-helix	trans	-65.8	-39.8	171.9	-68.2	167	0	0	0	111.2	D723 L725 R731	D723-I727 WeakPolarHBondContact O-CG1 3.27Å; D723-I727 PolarHBondContact O-N 2.9Å; L725-I727 VanDerWaalsContact C-N 3.35Å; I727-R731 PolarHBondContact O-N 3.03Å
728	C	53.6	Low	54.9	Low	84 Å²	84	138.4 Å²	138.4	57%	0.568	66%	0.656	S	S	*	*	H	α-helix	trans	-67.1	-40.5	174.7	-83.1	0	0	0	0	113.2	S724 L725	S724-C728 PolarHBondContact O-N 3.22Å; S724-C728 VanDerWaalsContact O-N 3.11Å; L725-C728 PolarHBondContact O-N 2.92Å
729	L	54.9	Low	52.3	Low	129 Å²	129	134.9 Å²	134.9	68%	0.675	67%	0.665	S	S	*	*	H	α-helix	trans	-68.7	-37.7	179.7	-74.1	166.6	0	0	0	111.8	L725 D726 R731 R732	L725-L729 WeakPolarHBondContact O-CB 3.25Å; L725-L729 WeakPolarHBondContact O-CG 3.34Å; L725-L729 PolarHBondContact O-N 3.47Å; D726-L729 PolarHBondContact O-N 2.96Å; L729-R731 PolarHBondContact O-N 3.22Å; L729-R732 PolarHBondContact O-N 3.16Å
730	K	53	Low	49.8	Very low	159 Å²	159	138.6 Å²	138.6	69%	0.691	68%	0.683	S	S	*	*	H	α-helix	trans	-74.1	-20.1	179.3	-72.3	167.8	-174.3	152.9	0	114.2	D726	D726-K730 WeakPolarHBondContact O-CB 3.49Å; D726-K730 WeakPolarHBondContact O-CG 3.28Å; D726-K730 PolarHBondContact O-N 2.96Å; D726-K730 VanDerWaalsContact OD1-CE 3.24Å; D726-K730 WeakPolarHBondContact OD1-CE 3.46Å; D726-K730 IonicContact OD1-NZ 3.43Å; D726-K730 PolarHBondContact OD1-NZ 3.22Å
731	R	48.3	Very low	47.7	Very low	220 Å²	220	143.2 Å²	143.2	83%	0.83	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-6.5	173.9	-102.7	179.5	174.5	170.4	-0.8	115	I727 L729 K733	I727-R731 PolarHBondContact O-N 3.03Å; L729-R731 PolarHBondContact O-N 3.22Å; R731-K733 VanDerWaalsContact C-N 3.32Å; R731-K733 PolarHBondContact O-N 2.67Å
732	R	43.6	Very low	45.8	Very low	229 Å²	229	143 Å²	143	86%	0.864	70%	0.703	S	S	*	*			trans	-90.3	27.9	-178.3	-133.3	177.1	-168.4	179.1	4.2	115.1	L729	L729-R732 PolarHBondContact O-N 3.16Å
733	K	43	Very low	44.2	Very low	207 Å²	207	140.1 Å²	140.1	90%	0.9	71%	0.71	S	S	*	*			trans	-93.7	79.9	160	-84.1	-172.4	175.1	-179.9	0	110.5	R731	R731-K733 VanDerWaalsContact C-N 3.32Å; R731-K733 PolarHBondContact O-N 2.67Å
734	K	38.6	Very low	42.8	Very low	205 Å²	205	144.2 Å²	144.2	89%	0.891	73%	0.732	S	S	*	*			trans	-139.9	125.6	155.4	-150.2	173.2	-173.2	-179.7	0	110.3
735	T	37.3	Very low	41.4	Very low	136 Å²	136	145.1 Å²	145.1	83%	0.834	74%	0.743	S	S	*	*			trans	-73.8	153.9	-166.1	-36.5	0	0	0	0	112.7
736	R	35.6	Very low	41.5	Very low	234 Å²	234	145.6 Å²	145.6	88%	0.883	75%	0.752	S	S	*	*			trans	-42.8	149	156.7	-80.1	169.8	154	171.8	-9.5	110.2
737	S	31.4	Very low	40.6	Very low	94 Å²	94	148.7 Å²	148.7	66%	0.657	77%	0.774	S	S	*	*				-172.8	141.3	67.5	-156.8	0	0	0	0	115.3
738	T	35.3	Very low	39.6	Very low	135 Å²	135	151.1 Å²	151.1	83%	0.828	79%	0.788	S	S	*	*			trans	41.7	132.9	140	55.3	0	0	0	0	122.8
739	G	31.4	Very low	38.7	Very low	76 Å²	76	150 Å²	150	78%	0.784	79%	0.791	S	S	*	*			trans	-175.2	11.3	168.2	0	0	0	0	0	124.7
740	N	30.9	Very low	37.8	Very low	144 Å²	144	151.7 Å²	151.7	77%	0.77	80%	0.8	S	S	*	*			trans	43.9	114.3	151.6	-147.1	18.6	0	0	0	122.7
741	R	32.7	Very low	37	Very low	232 Å²	232	149.1 Å²	149.1	88%	0.875	80%	0.798	S	S	*	*				171.4	148.6	119.5	-96.1	174.9	173.5	169	-1.5	116.7
742	N	33.7	Very low	36.3	Very low	149 Å²	149	146.6 Å²	146.6	80%	0.797	80%	0.795	S	S	*	*			trans	-40.5	149.7	180	-46.4	-15.2	0	0	0	119.6
743	A	33.7	Very low	35.9	Very low	85 Å²	85	141.5 Å²	141.5	70%	0.702	79%	0.79	S	S	*	*				166.5	141.8	96	0	0	0	0	0	115.8
744	N	32.9	Very low	35.4	Very low	169 Å²	169	138.6 Å²	138.6	90%	0.904	78%	0.784	S	S	*	*			trans	67.7	154.6	153	-60.2	-10	0	0	0	122.1
745	A	33.2	Very low	35.2	Very low	91 Å²	91	134.9 Å²	134.9	75%	0.752	78%	0.779	S	S	*	*			trans	-129.2	-155.8	-170.1	0	0	0	0	0	110.1
746	P	57.4	Low	35.1	Very low	111 Å²	111	134.1 Å²	134.1	72%	0.721	77%	0.774	S	S	*	*			cis	-127.7	-176.5	-39.2	37.4	-21.2	0	0	0	112.6
747	T	35.8	Very low	35.2	Very low	121 Å²	121	130.7 Å²	130.7	74%	0.742	77%	0.771	S	S	*	*			trans	162.9	119.4	135.5	40.2	0	0	0	0	110.4
748	N	36.3	Very low	35.3	Very low	164 Å²	164	134.5 Å²	134.5	88%	0.877	78%	0.779	S	S	*	*				67.3	137.9	89.3	-67.7	-4	0	0	0	115
749	G	34.5	Very low	36.2	Very low	61 Å²	61	133.4 Å²	133.4	63%	0.629	77%	0.774	S	S	*	*			cis	-160.4	162.9	0.3	0	0	0	0	0	111.2
750	N	35.4	Very low	36.9	Very low	163 Å²	163	135.1 Å²	135.1	87%	0.872	77%	0.771	S	S	*	*				65.1	146.1	93.6	-78.3	10	0	0	0	115.1
751	V	35.9	Very low	37	Very low	105 Å²	105	138.6 Å²	138.6	64%	0.636	77%	0.774	S	S	*	*			cis	-166.9	131.5	-5.2	121.6	0	0	0	0	105.7
752	Q	34.1	Very low	37.2	Very low	167 Å²	167	135.2 Å²	135.2	78%	0.78	77%	0.768	S	S	*	*				58.1	151.2	97.8	-140.1	-173.5	3.7	0	0	118.2
753	T	35.2	Very low	37.3	Very low	123 Å²	123	134.7 Å²	134.7	76%	0.755	77%	0.769	S	S	*	*			trans	78.3	155.1	168.6	68.1	0	0	0	0	118.4
754	D	32.1	Very low	38	Very low	146 Å²	146	136 Å²	136	78%	0.781	77%	0.771	S	S	*	*			cis	-173.8	-172	-33.1	-165.5	2.5	0	0	0	107.2
755	V	34.1	Very low	38.5	Very low	127 Å²	127	134.3 Å²	134.3	77%	0.77	77%	0.769	S	S	*	*			trans	103.9	130.2	155.9	-170.5	0	0	0	0	118.7
756	T	36.3	Very low	38.6	Very low	120 Å²	120	139.1 Å²	139.1	74%	0.736	78%	0.776	S	S	*	*			trans	-89	160.6	-177.5	-44.7	0	0	0	0	113.1
757	I	36.1	Very low	38	Very low	162 Å²	162	144.8 Å²	144.8	83%	0.831	78%	0.783	S	S	*	*			trans	167	145.2	132.7	-84.4	154.8	0	0	0	111.8
758	Q	34.1	Very low	38.4	Very low	173 Å²	173	144.3 Å²	144.3	81%	0.808	78%	0.782	S	S	*	*			trans	-93.6	-175.9	178.7	-67.2	-178.3	-21.7	0	0	112.4
759	P	54.5	Low	39.1	Very low	112 Å²	112	142.7 Å²	142.7	73%	0.727	78%	0.78	S	S	*	*			cis	-119.7	-125.7	-33.5	26.8	-2.4	0	0	0	107.7
760	P	47.3	Very low	39.4	Very low	113 Å²	113	144.3 Å²	144.3	73%	0.734	79%	0.788	S	S	*	*			cis	-133.4	178.6	-31.8	39.6	-22	0	0	0	116.8
761	R	31.5	Very low	40	Very low	217 Å²	217	142.6 Å²	142.6	82%	0.819	79%	0.786	S	S	*	*			trans	90.7	99.8	144.2	-147.2	173.8	-164.5	179.4	5.2	121.5
762	Q	36.7	Very low	40	Very low	161 Å²	161	144 Å²	144	75%	0.752	80%	0.795	S	S	*	*			trans	35.9	128	135	-57.2	174.4	-52.5	0	0	122.4
763	V	35.7	Very low	40.2	Very low	137 Å²	137	141.9 Å²	141.9	83%	0.83	79%	0.793	S	S	*	*				162.9	142.2	116.1	160.3	0	0	0	0	108.4
764	P	49.2	Very low	40.1	Very low	114 Å²	114	142.1 Å²	142.1	74%	0.74	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-95.7	160.2	-162.3	37.4	-35.6	0	0	0	115.2
765	P	43.9	Very low	40	Very low	132 Å²	132	140.9 Å²	140.9	86%	0.857	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-97.2	161.2	176.3	37.5	-33.8	0	0	0	114.7
766	E	35.5	Very low	39.9	Very low	192 Å²	192	141.3 Å²	141.3	90%	0.897	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-99.2	172.5	-171.1	-162.7	168.3	-171	0	0	113.4
767	R	43.1	Very low	40.1	Very low	230 Å²	230	140.9 Å²	140.9	87%	0.868	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-81.7	142.4	-172	178.1	-168.1	-63.5	-159.3	0.9	113.4
768	P	44.7	Very low	39.8	Very low	112 Å²	112	140.8 Å²	140.8	73%	0.727	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-97.7	156	163.8	35.1	-30	0	0	0	114.1
769	P	50.7	Low	39.6	Very low	129 Å²	129	138.1 Å²	138.1	84%	0.838	80%	0.799	S	S	*	*			trans	-100.8	178.1	-170.9	39.8	-36	0	0	0	115.2
770	A	41.8	Very low	38.3	Very low	96 Å²	96	135.8 Å²	135.8	79%	0.793	80%	0.795	S	S	*	*			trans	-93.1	161.7	-178.6	0	0	0	0	0	114.4
771	P	47.4	Very low	37.3	Very low	127 Å²	127	140.7 Å²	140.7	83%	0.825	81%	0.805	S	S	*	*			trans	-125.5	176.4	162.1	38.7	-25.9	0	0	0	114.9
772	T	36	Very low	37.2	Very low	133 Å²	133	141.4 Å²	141.4	82%	0.816	81%	0.808	S	S	*	*			trans	-119.9	148.2	-158.4	25.2	0	0	0	0	116.7
773	V	39	Very low	36.8	Very low	123 Å²	123	145 Å²	145	75%	0.745	82%	0.817	S	S	*	*			trans	19.6	126.9	150.3	-147.3	0	0	0	0	121.7
774	T	31.9	Very low	36.5	Very low	129 Å²	129	142 Å²	142	79%	0.791	81%	0.812	S	S	*	*				165	155.3	110.5	38	0	0	0	0	116.9
775	S	30.6	Very low	35.4	Very low	120 Å²	120	145.7 Å²	145.7	84%	0.839	82%	0.82	S	S	*	*			trans	96.2	148	159.5	79.2	0	0	0	0	120.4
776	V	33	Very low	34.7	Very low	136 Å²	136	145.5 Å²	145.5	82%	0.824	82%	0.816	S	S	*	*			trans	-147.9	140.5	-157.2	162.5	0	0	0	0	106.5
777	P	39.2	Very low	34.3	Very low	111 Å²	111	143.6 Å²	143.6	72%	0.721	81%	0.812	S	S	*	*				-161.3	155.6	99.1	40.7	-18.5	0	0	0	121.8
778	I	29.5	Very low	33.4	Very low	160 Å²	160	142 Å²	142	82%	0.821	81%	0.807	S	S	*	*			trans	86.1	123.8	140.4	-72.2	159.9	0	0	0	122.8
779	S	30.8	Very low	32.5	Very low	116 Å²	116	146.1 Å²	146.1	81%	0.811	81%	0.809	S	S	*	*			trans	68.1	130.2	150.9	-165.5	0	0	0	0	120.7
780	G	26.3	Very low	31.3	Very low	63 Å²	63	144.6 Å²	144.6	65%	0.649	80%	0.801	S	S	*	*			cis	174	176.1	-2	0	0	0	0	0	115.4
781	F	27.1	Very low	30.7	Very low	216 Å²	216	148.2 Å²	148.2	95%	0.947	80%	0.802	S	S	*	*			trans	85.5	140.7	175.2	-70.5	-84.3	0	0	0	120.5
782	R	28.8	Very low	29.8	Very low	232 Å²	232	151.3 Å²	151.3	88%	0.875	81%	0.805	S	S	*	*			trans	-133.9	162.7	-162	-82.6	179.2	166.1	-176.5	-4.8	110.9
783	Y	28.9	Very low	29.6	Very low	238 Å²	238	149 Å²	149	93%	0.933	80%	0.799	S	S	*	*				177.5	139.1	120.3	-101.6	-76.9	0	0	0	107.9
784	G	29.4	Very low	29.3	Very low	72 Å²	72	150.6 Å²	150.6	74%	0.742	80%	0.804	S	S	*	*			cis	170.5	116.8	-7.5	0	0	0	0	0	110.4
785	E	26.5	Very low	29.2	Very low	192 Å²	192	153.8 Å²	153.8	90%	0.897	81%	0.81	S	S	*	*			trans	-118.8	149.9	-179.2	-178.7	171.8	-146.5	0	0	108.9
786	V	27.6	Very low	29.7	Very low	129 Å²	129	152.8 Å²	152.8	78%	0.782	81%	0.809	S	S	*	*			trans	-141.6	108.6	-176.8	-171.3	0	0	0	0	111.5
787	D	27.7	Very low	29.8	Very low	152 Å²	152	152.5 Å²	152.5	81%	0.813	81%	0.81	S	S	*	*			trans	-92.5	150.1	158.5	-94.5	-35.3	0	0	0	110.2
788	Y	24	Very low	29.5	Very low	195 Å²	195	152.7 Å²	152.7	77%	0.765	81%	0.814	S	S	*	*			trans	-145.9	94.8	173.6	-132.3	-110.1	0	0	0	113.2
789	W	26.5	Very low	30	Very low	199 Å²	199	156.6 Å²	156.6	75%	0.754	82%	0.818	S	S	*	*			trans	78.6	144.3	147.2	-57.3	75.9	0	0	0	125.5
790	S	26	Very low	30.5	Very low	97 Å²	97	156.3 Å²	156.3	68%	0.678	81%	0.814	S	S	*	*			trans	-122.4	161.2	145.9	55	0	0	0	0	109.5
791	Q	28.8	Very low	31	Very low	173 Å²	173	159.3 Å²	159.3	81%	0.808	82%	0.821	S	S	*	*			trans	74.2	139.6	-174.3	-52.3	-178.9	-11.5	0	0	113.9
792	E	28.6	Very low	31.5	Very low	191 Å²	191	153.3 Å²	153.3	89%	0.893	81%	0.812	S	S	*	*			cis	-139.4	-171.5	22.5	-141.3	166.9	-166.6	0	0	113
793	A	32.3	Very low	32.2	Very low	84 Å²	84	148.3 Å²	148.3	69%	0.694	81%	0.81	S	S	*	*			trans	-99.3	173.3	-166.3	0	0	0	0	0	116
794	N	32.5	Very low	32.6	Very low	157 Å²	157	143.8 Å²	143.8	84%	0.84	81%	0.806	S	S	*	*			trans	70.3	101.5	169	-63.3	-26.7	0	0	0	118.6
795	E	29.4	Very low	33.3	Very low	197 Å²	197	147.7 Å²	147.7	92%	0.921	81%	0.805	S	S	*	*				-173.5	152.2	123.6	-105	174.3	-175.3	0	0	110.8
796	A	40.8	Very low	34.1	Very low	99 Å²	99	141.1 Å²	141.1	82%	0.818	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-91.7	125.4	-177.8	0	0	0	0	0	111.6
797	P	34.8	Very low	34.4	Very low	130 Å²	130	142 Å²	142	84%	0.844	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-80	138.1	-178.7	-14.4	30.3	0	0	0	113.8
798	S	33.5	Very low	35.5	Very low	115 Å²	115	138.4 Å²	138.4	80%	0.804	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-75.2	160.4	174.8	49.5	0	0	0	0	113.7
799	R	38.8	Very low	36.2	Very low	241 Å²	241	134.5 Å²	134.5	91%	0.909	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-63.7	134.9	-177.6	-157.3	-176.3	-153.1	-170.6	6.8	112
800	P	41.9	Very low	37.1	Very low	111 Å²	111	130.4 Å²	130.4	72%	0.721	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-73.9	154.7	177.3	30.2	-35.1	0	0	0	112.7
801	P	37.7	Very low	38	Very low	125 Å²	125	136.5 Å²	136.5	81%	0.812	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-76.9	159.9	178	32.5	-35.4	0	0	0	112.8
802	A	37.7	Very low	38.7	Very low	90 Å²	90	133.9 Å²	133.9	74%	0.744	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-71.2	148	179.9	0	0	0	0	0	112.9
803	P	41.9	Very low	39.6	Very low	128 Å²	128	132.2 Å²	132.2	83%	0.831	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-72.1	138.2	-177	28.6	-34.8	0	0	0	113
804	V	38.4	Very low	40.3	Very low	142 Å²	142	134 Å²	134	86%	0.861	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-81.9	128.4	174.8	179.1	0	0	0	0	109.8
805	Q	43.6	Very low	40.7	Very low	154 Å²	154	133.1 Å²	133.1	72%	0.72	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-74.5	129.8	172.3	-71.6	-176.2	-13	0	0	110.9
806	G	42.9	Very low	41.2	Very low	54 Å²	54	132.4 Å²	132.4	56%	0.557	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-72	162.1	173.6	0	0	0	0	0	113.2	G808	G806-G808 PolarHBondContact O-N 3.4Å
807	P	35.6	Very low	41	Very low	147 Å²	147	135.3 Å²	135.3	96%	0.955	79%	0.794	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	125.2	-175.7	-8.4	24.2	0	0	0	111.2
808	G	49.9	Very low	41.4	Very low	78 Å²	78	136.2 Å²	136.2	80%	0.804	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	137.3	-7.6	168.9	0	0	0	0	0	117	G806	G806-G808 PolarHBondContact O-N 3.4Å
809	V	39.6	Very low	41.9	Very low	112 Å²	112	136.1 Å²	136.1	68%	0.679	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-98.1	125.9	-179	-171.7	0	0	0	0	111.2
810	P	44.2	Very low	42.1	Very low	113 Å²	113	133.8 Å²	133.8	73%	0.734	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-64.4	143.2	173.2	-21.8	33.8	0	0	0	112.7
811	R	44.4	Very low	42.1	Very low	226 Å²	226	134.9 Å²	134.9	85%	0.853	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-69.3	131.5	178.2	-83.6	-176.2	-100.3	-154.5	-6.6	111.8
812	P	45.2	Very low	42.3	Very low	117 Å²	117	135.4 Å²	135.4	76%	0.76	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-62.9	143.6	165.5	-20.9	33.4	0	0	0	111.8
813	I	47.5	Very low	42.6	Very low	157 Å²	157	137.9 Å²	137.9	81%	0.805	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-80.3	130.9	175.1	-60.8	169.2	0	0	0	108.4	V815	I813-V815 PolarHBondContact O-N 3.43Å
814	P	45.6	Very low	42.7	Very low	120 Å²	120	138.5 Å²	138.5	78%	0.779	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-64.4	130.9	176.6	-20.8	32.9	0	0	0	111.9
815	V	41.8	Very low	42.9	Very low	140 Å²	140	138.3 Å²	138.3	85%	0.848	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-75.6	142	167.6	-179.8	0	0	0	0	108.6	I813	I813-V815 PolarHBondContact O-N 3.43Å
816	K	38.9	Very low	42.9	Very low	182 Å²	182	137.3 Å²	137.3	79%	0.791	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-81.2	124.8	-172.1	-156	178.8	-171.7	-177.1	0	110	I818	K816-I818 PolarHBondContact O-N 3.43Å
817	D	36.8	Very low	42.9	Very low	160 Å²	160	143.2 Å²	143.2	86%	0.856	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-58.9	132.7	169.7	-71.3	-51.1	0	0	0	110.5
818	I	44.6	Very low	43.4	Very low	149 Å²	149	142.9 Å²	142.9	76%	0.764	83%	0.831	S	S	*	*			trans	-128.8	110.9	162.6	-61.9	-178.3	0	0	0	107.2	K816	K816-I818 PolarHBondContact O-N 3.43Å
819	S	44.1	Very low	42.9	Very low	113 Å²	113	148.3 Å²	148.3	79%	0.79	83%	0.833	S	S	*	*			trans	-68.7	128	169.6	51.8	0	0	0	0	111.3
820	S	42.1	Very low	43.2	Very low	191 Å²	191	151.6 Å²	151.6	100%	1.336	85%	0.847	S	S	*	*			trans	-159.2	0	155.8	-70.9	0	0	0	0	108.5

Retrieved 820 of 820 residues in 431 ms (Link to these results)

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