A0A087X712_POEFO Loading...

tRNA (carboxymethyluridine(34)-5-O)-methyltransferase

Catalyzes the methylation of 5-carboxymethyl uridine to 5-methylcarboxymethyl uridine at the wobble position of the anticodon loop in tRNA via its methyltransferase domain. Catalyzes the last step in the formation of 5-methylcarboxymethyl uridine at the wobble position of the anticodon loop in target tRNA. Has a preference for tRNA(Arg) and tRNA(Glu), and does not bind tRNA(Lys). Binds tRNA and catalyzes the iron and alpha-ketoglutarate dependent hydroxylation of 5-methylcarboxymethyl uridine at the wobble position of the anticodon loop in tRNA via its dioxygenase domain, giving rise to 5-(S)-methoxycarbonylhydroxymethyluridine; has a preference for tRNA(Gly). Required for normal survival after DNA damage. May inhibit apoptosis and promote cell survival and angiogenesis.

AlphaFold DB , UniProt , Accession A0A087X712, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 683 aa.

Structure Viewer

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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	39.6	Very low	33.9	Very low	248 Å²	248	129.1 Å²	129.1	100%	1.222	73%	0.729	S	S	*	*				0	140.3	0	-72.4	175.3	173.2	0	0	106.9
2	D	28.8	Very low	34.5	Very low	128 Å²	128	124.1 Å²	124.1	68%	0.684	72%	0.715	S	S	*	*			trans	-138.3	132.2	-178.6	-156.7	-22.2	0	0	0	109.5	T4	D2-T4 PolarHBondContact O-N 3.17Å
3	C	31	Very low	35.1	Very low	107 Å²	107	123.5 Å²	123.5	72%	0.723	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-2.7	-155	-74.2	0	0	0	0	114.9
4	T	36.5	Very low	35.9	Very low	105 Å²	105	132.1 Å²	132.1	64%	0.644	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-26	-175.8	50.1	0	0	0	0	114	D2 V6	D2-T4 PolarHBondContact O-N 3.17Å; T4-V6 VanDerWaalsContact C-N 3.33Å; T4-V6 PolarHBondContact O-N 3.45Å
5	V	37.6	Very low	37.1	Very low	113 Å²	113	133.3 Å²	133.3	69%	0.685	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-29.1	-175.1	-177.7	0	0	0	0	112.9
6	V	33.8	Very low	38.9	Very low	95 Å²	95	127.2 Å²	127.2	58%	0.576	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-31.5	-171	-178.9	0	0	0	0	113	T4	T4-V6 VanDerWaalsContact C-N 3.33Å; T4-V6 PolarHBondContact O-N 3.45Å
7	N	28.1	Very low	40.8	Very low	117 Å²	117	131.3 Å²	131.3	63%	0.626	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-77.6	-31.1	-170	-78.2	-18.7	0	0	0	114.1	V9 K10	N7-V9 PolarHBondContact O-N 3.31Å; N7-K10 PolarHBondContact O-N 3.11Å; N7-K10 VanDerWaalsContact O-N 3.17Å
8	N	33.8	Very low	42.5	Very low	144 Å²	144	131.9 Å²	131.9	77%	0.77	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-69.6	-12.8	177.7	-87.1	-19	0	0	0	114.1	K10	N8-K10 VanDerWaalsContact C-N 3.3Å
9	V	36	Very low	44.2	Very low	110 Å²	110	129.1 Å²	129.1	67%	0.667	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-72.5	-24.3	173.8	-175.1	0	0	0	0	111.8	N7	N7-V9 PolarHBondContact O-N 3.31Å
10	K	32.2	Very low	45.9	Very low	172 Å²	172	127.9 Å²	127.9	75%	0.748	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-87.7	-2.8	-176.6	-70.6	-176	176.2	177.9	0	115	N7 N8	N7-K10 PolarHBondContact O-N 3.11Å; N7-K10 VanDerWaalsContact O-N 3.17Å; N8-K10 VanDerWaalsContact C-N 3.3Å
11	A	35.4	Very low	47.6	Very low	81 Å²	81	127.9 Å²	127.9	67%	0.669	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-90.7	7	173.8	0	0	0	0	0	113.9	T13	A11-T13 VanDerWaalsContact C-N 3.25Å; A11-T13 PolarHBondContact O-N 3.11Å; A11-T13 VanDerWaalsContact O-N 3.08Å
12	A	41.3	Very low	49.6	Very low	69 Å²	69	117.8 Å²	117.8	57%	0.57	62%	0.624	S	S	*	*			trans	-82.8	27.5	-169.4	0	0	0	0	0	115.8
13	T	41.9	Very low	52.2	Low	116 Å²	116	114.7 Å²	114.7	71%	0.712	61%	0.607	S	S	*	*			trans	-87.3	125.6	-174	-50.4	0	0	0	0	111.5	A11	A11-T13 VanDerWaalsContact C-N 3.25Å; A11-T13 PolarHBondContact O-N 3.11Å; A11-T13 VanDerWaalsContact O-N 3.08Å
14	R	46.2	Very low	54.7	Low	244 Å²	244	118.9 Å²	118.9	92%	0.921	61%	0.608	S	S	*	*	S	Bend	trans	53.6	64.4	179.3	-65.5	-175.8	178.7	-174.6	0.6	115.7
15	R	54.7	Low	57.1	Low	150 Å²	150	118.7 Å²	118.7	57%	0.566	60%	0.598	S	S	*	*			trans	-109.5	137.7	151.6	-77.7	-171.3	-178	-175.5	1.1	110.9	D19 K20	R15-D19 VanDerWaalsContact CA-OD2 3.32Å; R15-D19 WeakPolarHBondContact CA-OD2 3.3Å; R15-D19 HydrophobicContact CB-CB 4.19Å; R15-D19 WeakPolarHBondContact CB-OD2 3.26Å; R15-D19 HydrophobicContact CG-CB 4.46Å; R15-K20 HydrophobicContact CB-CG 4.39Å; R15-K20 WeakPolarHBondContact O-CE 3.5Å; R15-K20 PolarHBondContact O-NZ 3.2Å
16	G	65.4	Low	59.4	Low	36 Å²	36	114.2 Å²	114.2	37%	0.371	57%	0.569	S	S	.	*			trans	-64.8	170.3	-177.9	0	0	0	0	0	113.8	E18 D19 K20	G16-E18 PolarHBondContact O-N 3.17Å; G16-D19 PolarHBondContact N-OD2 3.03Å; G16-K20 WeakPolarHBondContact O-CB 3.4Å; G16-K20 VanDerWaalsContact O-CG 3.29Å; G16-K20 WeakPolarHBondContact O-CG 3.49Å; G16-K20 PolarHBondContact O-N 3.21Å
17	K	70.8	Confident	61.9	Low	197 Å²	197	114.7 Å²	114.7	86%	0.857	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	-30.2	173.7	-73.9	-178.5	177.8	176.2	0	111.4	K21	K17-K21 PolarHBondContact O-N 2.84Å
18	E	71.5	Confident	64.6	Low	143 Å²	143	116.4 Å²	116.4	67%	0.668	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-44.4	-176.6	-55.3	-159.4	115.6	0	0	112.3	G16 K20 K21 V22	G16-E18 PolarHBondContact O-N 3.17Å; E18-K20 PolarHBondContact O-N 3.49Å; E18-K21 CarbonylContact O-C 3.53Å; E18-K21 WeakPolarHBondContact O-CA 3.33Å; E18-K21 VanDerWaalsContact O-CB 3.28Å; E18-K21 WeakPolarHBondContact O-CB 3.18Å; E18-K21 PolarHBondContact O-N 3.19Å; E18-V22 PolarHBondContact O-N 3Å
19	D	74.6	Confident	66.9	Low	78 Å²	78	110.4 Å²	110.4	42%	0.417	54%	0.541	S	S	.	.	H	α-helix	trans	-56.1	-39.8	172.9	-25.5	-20.1	0	0	0	111	R15 G16 K21 V22 L23	R15-D19 VanDerWaalsContact CA-OD2 3.32Å; R15-D19 WeakPolarHBondContact CA-OD2 3.3Å; R15-D19 HydrophobicContact CB-CB 4.19Å; R15-D19 WeakPolarHBondContact CB-OD2 3.26Å; R15-D19 HydrophobicContact CG-CB 4.46Å; G16-D19 PolarHBondContact N-OD2 3.03Å; D19-K21 VanDerWaalsContact C-N 3.28Å; D19-K21 PolarHBondContact O-N 3.07Å; D19-V22 PolarHBondContact O-N 2.88Å; D19-L23 VanDerWaalsContact O-CB 3.3Å; D19-L23 WeakPolarHBondContact O-CB 3.44Å; D19-L23 PolarHBondContact O-N 2.89Å
20	K	78.5	Confident	69.2	Low	104 Å²	104	105.7 Å²	105.7	45%	0.452	51%	0.512	S	S	.	.	H	α-helix	trans	-67.9	-25.1	175.7	-70.3	174.5	-179.2	174.2	0	112.8	R15 G16 E18 R24	R15-K20 HydrophobicContact CB-CG 4.39Å; R15-K20 WeakPolarHBondContact O-CE 3.5Å; R15-K20 PolarHBondContact O-NZ 3.2Å; G16-K20 WeakPolarHBondContact O-CB 3.4Å; G16-K20 VanDerWaalsContact O-CG 3.29Å; G16-K20 WeakPolarHBondContact O-CG 3.49Å; G16-K20 PolarHBondContact O-N 3.21Å; E18-K20 PolarHBondContact O-N 3.49Å; K20-R24 WeakPolarHBondContact O-CD 3.33Å; K20-R24 WeakPolarHBondContact O-CG 3.48Å; K20-R24 PolarHBondContact O-N 3.36Å
21	K	81.5	Confident	71.5	Confident	128 Å²	128	103.2 Å²	103.2	56%	0.557	50%	0.503	S	S	*	.	H	α-helix	trans	-81.3	-40.6	174.5	-176.9	-177	177.3	-174.8	0	111.1	K17 E18 D19 K25	K17-K21 PolarHBondContact O-N 2.84Å; E18-K21 CarbonylContact O-C 3.53Å; E18-K21 WeakPolarHBondContact O-CA 3.33Å; E18-K21 VanDerWaalsContact O-CB 3.28Å; E18-K21 WeakPolarHBondContact O-CB 3.18Å; E18-K21 PolarHBondContact O-N 3.19Å; D19-K21 VanDerWaalsContact C-N 3.28Å; D19-K21 PolarHBondContact O-N 3.07Å; K21-K25 PolarHBondContact O-N 3.35Å
22	V	82.9	Confident	73.6	Confident	36 Å²	36	102.4 Å²	102.4	22%	0.218	49%	0.49	C	S	.	.	H	α-helix	trans	-62.2	-53.7	173	173.6	0	0	0	0	110.3	E18 D19 R24 K25 Q26 N105 Y119	E18-V22 PolarHBondContact O-N 3Å; D19-V22 PolarHBondContact O-N 2.88Å; V22-R24 VanDerWaalsContact C-N 3.32Å; V22-R24 PolarHBondContact O-N 2.92Å; V22-K25 WeakPolarHBondContact O-CA 3.22Å; V22-K25 PolarHBondContact O-N 3.02Å; V22-Q26 WeakPolarHBondContact O-CB 3.22Å; V22-Q26 PolarHBondContact O-N 3.21Å; V22-N105 WeakPolarHBondContact CG1-O 3.49Å; V22-Y119 HydrophobicContact CG1-CD1 4.45Å; V22-Y119 HydrophobicContact CG1-CE1 4.28Å
23	L	82.4	Confident	75.4	Confident	64 Å²	64	99.6 Å²	99.6	34%	0.335	47%	0.466	S	S	.	.	H	α-helix	trans	-57.9	-40.3	-178.9	-176	65.2	0	0	0	112.8	D19 Q26 L27	D19-L23 VanDerWaalsContact O-CB 3.3Å; D19-L23 WeakPolarHBondContact O-CB 3.44Å; D19-L23 PolarHBondContact O-N 2.89Å; L23-Q26 PolarHBondContact O-N 3.04Å; L23-L27 HydrophobicContact CD1-CD1 4.39Å; L23-L27 HydrophobicContact CD1-CG 4.47Å; L23-L27 HydrophobicContact CG-CD1 4.11Å; L23-L27 WeakPolarHBondContact O-CB 3.24Å; L23-L27 VanDerWaalsContact O-CG 3.29Å; L23-L27 WeakPolarHBondContact O-CG 3.42Å; L23-L27 PolarHBondContact O-N 3.39Å
24	R	83.4	Confident	77.1	Confident	194 Å²	194	98.3 Å²	98.3	73%	0.732	45%	0.454	S	S	*	.	H	α-helix	trans	-63.7	-39.2	174.2	-75.8	173.9	-169.8	-175.3	3.2	112.7	K20 V22 K28	K20-R24 WeakPolarHBondContact O-CD 3.33Å; K20-R24 WeakPolarHBondContact O-CG 3.48Å; K20-R24 PolarHBondContact O-N 3.36Å; V22-R24 VanDerWaalsContact C-N 3.32Å; V22-R24 PolarHBondContact O-N 2.92Å; R24-K28 WeakPolarHBondContact O-CB 3.33Å; R24-K28 PolarHBondContact O-N 2.9Å
25	K	86.3	Confident	78.2	Confident	102 Å²	102	93.8 Å²	93.8	44%	0.443	44%	0.441	S	S	.	.	H	α-helix	trans	-71.6	-41	177.5	-79.4	-169.6	171.1	-164.8	0	111.9	K21 V22 K28 A29 Y119	K21-K25 PolarHBondContact O-N 3.35Å; V22-K25 WeakPolarHBondContact O-CA 3.22Å; V22-K25 PolarHBondContact O-N 3.02Å; K25-K28 PolarHBondContact O-N 3.23Å; K25-A29 PolarHBondContact O-N 3.06Å; K25-Y119 HydrophobicContact CB-CD1 4.26Å; K25-Y119 HydrophobicContact CB-CE1 3.77Å; K25-Y119 HydrophobicContact CB-CE2 4.18Å; K25-Y119 HydrophobicContact CD-CE1 4.22Å; K25-Y119 HydrophobicContact CD-CE2 4.12Å; K25-Y119 WeakPolarHBondContact CD-OH 3.38Å; K25-Y119 PolarHBondContact NZ-OH 3.47Å
26	Q	87.4	Confident	79	Confident	18 Å²	18	92.6 Å²	92.6	8%	0.084	44%	0.442	C	S	.	.	H	α-helix	trans	-56.5	-56.4	172.7	-174.5	-174.5	10.7	0	0	110.4	V22 L23 K28 A29 S30 N105 Y119 L120	V22-Q26 WeakPolarHBondContact O-CB 3.22Å; V22-Q26 PolarHBondContact O-N 3.21Å; L23-Q26 PolarHBondContact O-N 3.04Å; Q26-K28 VanDerWaalsContact C-N 3.27Å; Q26-K28 PolarHBondContact O-N 3.5Å; Q26-A29 CarbonylContact O-C 3.54Å; Q26-A29 WeakPolarHBondContact O-CA 3.36Å; Q26-A29 WeakPolarHBondContact O-CB 3.19Å; Q26-A29 PolarHBondContact O-N 3.24Å; Q26-S30 PolarHBondContact O-N 2.94Å; Q26-S30 PolarHBondContact O-OG 2.94Å; Q26-N105 PolarHBondContact NE2-ND2 3.2Å; Q26-N105 PolarHBondContact OE1-ND2 3.11Å; Q26-Y119 HydrophobicContact CB-CD1 4.36Å; Q26-L120 PolarHBondContact NE2-O 3.27Å
27	L	84.5	Confident	79.4	Confident	106 Å²	106	94.2 Å²	94.2	56%	0.555	44%	0.439	S	S	*	.	H	α-helix	trans	-57.5	-37.2	176.9	-71.4	168.4	0	0	0	112.9	L23 H31	L23-L27 HydrophobicContact CD1-CD1 4.39Å; L23-L27 HydrophobicContact CD1-CG 4.47Å; L23-L27 HydrophobicContact CG-CD1 4.11Å; L23-L27 WeakPolarHBondContact O-CB 3.24Å; L23-L27 VanDerWaalsContact O-CG 3.29Å; L23-L27 WeakPolarHBondContact O-CG 3.42Å; L23-L27 PolarHBondContact O-N 3.39Å; L27-H31 WeakPolarHBondContact O-CB 3.43Å; L27-H31 PolarHBondContact O-N 2.91Å
28	K	85.3	Confident	79.7	Confident	153 Å²	153	87.1 Å²	87.1	67%	0.665	42%	0.422	S	S	*	.	H	α-helix	trans	-64.6	-41.3	172.9	-174.2	178.3	179	-178.6	0	111.6	R24 K25 Q26 H31 T32	R24-K28 WeakPolarHBondContact O-CB 3.33Å; R24-K28 PolarHBondContact O-N 2.9Å; K25-K28 PolarHBondContact O-N 3.23Å; Q26-K28 VanDerWaalsContact C-N 3.27Å; Q26-K28 PolarHBondContact O-N 3.5Å; K28-H31 PolarHBondContact O-N 3.3Å; K28-T32 PolarHBondContact O-N 3.15Å; K28-T32 PolarHBondContact O-OG1 2.88Å; K28-T32 VanDerWaalsContact O-OG1 3.04Å
29	A	83.6	Confident	80.2	Confident	18 Å²	18	81.5 Å²	81.5	15%	0.149	40%	0.396	C	S	.	.	H	α-helix	trans	-65.2	-47.2	176.4	0	0	0	0	0	111.5	K25 Q26 H31 T32 L33 A52	K25-A29 PolarHBondContact O-N 3.06Å; Q26-A29 CarbonylContact O-C 3.54Å; Q26-A29 WeakPolarHBondContact O-CA 3.36Å; Q26-A29 WeakPolarHBondContact O-CB 3.19Å; Q26-A29 PolarHBondContact O-N 3.24Å; A29-H31 VanDerWaalsContact C-N 3.32Å; A29-H31 PolarHBondContact O-N 2.55Å; A29-T32 PolarHBondContact O-N 3.26Å; A29-T32 VanDerWaalsContact O-N 3.13Å; A29-L33 WeakPolarHBondContact O-CG 3.41Å; A29-L33 PolarHBondContact O-N 3.14Å; A29-A52 HydrophobicContact CB-CB 3.87Å
30	S	83.8	Confident	80.7	Confident	10 Å²	10	81.2 Å²	81.2	7%	0.07	40%	0.401	C	S	.	.	H	α-helix	trans	-56.7	-44	174.9	-42.8	0	0	0	0	111.7	Q26 L33 L34 S121	Q26-S30 PolarHBondContact O-N 2.94Å; Q26-S30 PolarHBondContact O-OG 2.94Å; S30-L33 PolarHBondContact O-N 2.9Å; S30-L34 WeakPolarHBondContact O-CB 3.39Å; S30-L34 PolarHBondContact O-N 3.32Å; S30-S121 PolarHBondContact OG-OG 2.85Å; S30-S121 VanDerWaalsContact OG-OG 3.14Å
31	H	80.4	Confident	81.1	Confident	120 Å²	120	78.7 Å²	78.7	56%	0.556	39%	0.394	S	S	*	.	H	α-helix	trans	-67.4	-35.7	176.3	-177.8	-99.2	0	0	0	113.1	L27 K28 A29 K35	L27-H31 WeakPolarHBondContact O-CB 3.43Å; L27-H31 PolarHBondContact O-N 2.91Å; K28-H31 PolarHBondContact O-N 3.3Å; A29-H31 VanDerWaalsContact C-N 3.32Å; A29-H31 PolarHBondContact O-N 2.55Å; H31-K35 VanDerWaalsContact O-CB 3.23Å; H31-K35 WeakPolarHBondContact O-CB 3.23Å; H31-K35 PolarHBondContact O-N 2.78Å
32	T	79.2	Confident	81.4	Confident	64 Å²	64	73.5 Å²	73.5	39%	0.393	38%	0.375	S	S	.	.	H	α-helix	trans	-65.8	-45.1	172.9	-64.1	0	0	0	0	111.4	K28 A29 K35 H36	K28-T32 PolarHBondContact O-N 3.15Å; K28-T32 PolarHBondContact O-OG1 2.88Å; K28-T32 VanDerWaalsContact O-OG1 3.04Å; A29-T32 PolarHBondContact O-N 3.26Å; A29-T32 VanDerWaalsContact O-N 3.13Å; T32-K35 PolarHBondContact O-N 3.29Å; T32-H36 WeakPolarHBondContact O-CB 3.31Å; T32-H36 PolarHBondContact O-N 3.08Å
33	L	79.4	Confident	81.4	Confident	11 Å²	11	77 Å²	77	6%	0.058	40%	0.401	C	S	.	.	H	α-helix	trans	-60.9	-43.7	176.8	-71.8	168.8	0	0	0	111.5	A29 S30 E37 G38 I39 V50 A52 Y86	A29-L33 WeakPolarHBondContact O-CG 3.41Å; A29-L33 PolarHBondContact O-N 3.14Å; S30-L33 PolarHBondContact O-N 2.9Å; L33-E37 CarbonylContact O-C 3.55Å; L33-E37 WeakPolarHBondContact O-CA 3.18Å; L33-E37 VanDerWaalsContact O-CB 3.32Å; L33-E37 WeakPolarHBondContact O-CB 3.49Å; L33-E37 PolarHBondContact O-N 2.85Å; L33-G38 PolarHBondContact O-N 2.83Å; L33-G38 VanDerWaalsContact O-N 3.16Å; L33-I39 HydrophobicContact CB-CB 4.21Å; L33-I39 HydrophobicContact CD2-CD1 4.05Å; L33-I39 PolarHBondContact O-N 2.91Å; L33-V50 HydrophobicContact CD1-CG1 3.87Å; L33-V50 HydrophobicContact CD1-CG2 3.87Å; L33-A52 HydrophobicContact CD1-CB 4.28Å; L33-Y86 HydrophobicContact CD2-CD1 3.46Å; L33-Y86 VanDerWaalsContact CD2-CD1 3.46Å; L33-Y86 HydrophobicContact CD2-CD2 4.27Å; L33-Y86 HydrophobicContact CD2-CE1 3.86Å; L33-Y86 HydrophobicContact CD2-CG 3.7Å
34	L	76.4	Confident	81.7	Confident	89 Å²	89	80.2 Å²	80.2	47%	0.466	41%	0.414	S	S	.	.	H	α-helix	trans	-64.4	-48.1	175	179.9	59.3	0	0	0	111.9	S30 G38 I39	S30-L34 WeakPolarHBondContact O-CB 3.39Å; S30-L34 PolarHBondContact O-N 3.32Å; L34-G38 WeakPolarHBondContact O-CA 3.49Å; L34-G38 PolarHBondContact O-N 2.96Å; L34-I39 WeakPolarHBondContact CA-O 3.2Å; L34-I39 PolarHBondContact N-O 2.65Å
35	K	70.3	Confident	82	Confident	149 Å²	149	72.6 Å²	72.6	65%	0.648	39%	0.39	S	S	*	.	H	α-helix	trans	-68.7	-37.3	-175	-178	179	176.5	-172.3	0	113.6	H31 T32	H31-K35 VanDerWaalsContact O-CB 3.23Å; H31-K35 WeakPolarHBondContact O-CB 3.23Å; H31-K35 PolarHBondContact O-N 2.78Å; T32-K35 PolarHBondContact O-N 3.29Å
36	H	71.9	Confident	82.4	Confident	125 Å²	125	68.7 Å²	68.7	58%	0.579	38%	0.375	S	S	*	.	H	α-helix	trans	-108.9	-19.3	-170.3	-68.1	-83.8	0	0	0	114.4	T32	T32-H36 WeakPolarHBondContact O-CB 3.31Å; T32-H36 PolarHBondContact O-N 3.08Å
37	E	74.2	Confident	82.6	Confident	70 Å²	70	71.7 Å²	71.7	33%	0.327	39%	0.387	S	S	.	.	H	α-helix	trans	-126.5	-3.2	-176.1	-51	-71.3	-174.1	0	0	112.8	L33 I39 K84 Y86	L33-E37 CarbonylContact O-C 3.55Å; L33-E37 WeakPolarHBondContact O-CA 3.18Å; L33-E37 VanDerWaalsContact O-CB 3.32Å; L33-E37 WeakPolarHBondContact O-CB 3.49Å; L33-E37 PolarHBondContact O-N 2.85Å; E37-I39 VanDerWaalsContact C-N 3.25Å; E37-I39 HydrophobicContact CB-CD1 3.69Å; E37-I39 HydrophobicContact CB-CG1 4.01Å; E37-I39 HydrophobicContact CG-CD1 4.48Å; E37-I39 PolarHBondContact O-N 3.39Å; E37-K84 IonicContact OE1-NZ 3.53Å; E37-K84 PolarHBondContact OE1-NZ 3.16Å; E37-K84 WeakPolarHBondContact OE2-CE 3.3Å; E37-K84 IonicContact OE2-NZ 2.7Å; E37-K84 PolarHBondContact OE2-NZ 3.34Å; E37-Y86 VanDerWaalsContact CD-OH 3.31Å; E37-Y86 HydrophobicContact CG-CE1 3.72Å; E37-Y86 PolarHBondContact OE2-OH 2.57Å
38	G	77	Confident	83	Confident	48 Å²	48	67.5 Å²	67.5	50%	0.495	37%	0.365	S	S	.	.			trans	69.3	17.6	-179.3	0	0	0	0	0	114.8	L33 L34	L33-G38 PolarHBondContact O-N 2.83Å; L33-G38 VanDerWaalsContact O-N 3.16Å; L34-G38 WeakPolarHBondContact O-CA 3.49Å; L34-G38 PolarHBondContact O-N 2.96Å
39	I	81.3	Confident	83.4	Confident	24 Å²	24	60.2 Å²	60.2	12%	0.123	33%	0.334	C	S	.	.			trans	-90	105.9	-177	-59.5	161.8	0	0	0	109.6	L33 L34 E37 Y86 F88 V123	L33-I39 HydrophobicContact CB-CB 4.21Å; L33-I39 HydrophobicContact CD2-CD1 4.05Å; L33-I39 PolarHBondContact O-N 2.91Å; L34-I39 WeakPolarHBondContact CA-O 3.2Å; L34-I39 PolarHBondContact N-O 2.65Å; E37-I39 VanDerWaalsContact C-N 3.25Å; E37-I39 HydrophobicContact CB-CD1 3.69Å; E37-I39 HydrophobicContact CB-CG1 4.01Å; E37-I39 HydrophobicContact CG-CD1 4.48Å; E37-I39 PolarHBondContact O-N 3.39Å; I39-Y86 HydrophobicContact CD1-CD2 4.25Å; I39-Y86 HydrophobicContact CD1-CE2 3.6Å; I39-F88 HydrophobicContact CD1-CE1 4.35Å; I39-F88 HydrophobicContact CD1-CZ 3.64Å; I39-F88 HydrophobicContact CG1-CZ 4.15Å; I39-F88 HydrophobicContact CG2-CE1 4.24Å; I39-V123 HydrophobicContact CG2-CG1 4.14Å
40	S	84.1	Confident	83.9	Confident	73 Å²	73	59.4 Å²	59.4	51%	0.51	33%	0.327	S	S	.	.			trans	-75.9	137.4	169.8	-62.8	0	0	0	0	111.3
41	T	87.4	Confident	84.4	Confident	50 Å²	50	58.9 Å²	58.9	31%	0.307	32%	0.324	S	S	.	.			trans	-105.6	131.5	175.3	56.9	0	0	0	0	111.6	V50 Y122 V123	T41-V50 HydrophobicContact CG2-CG1 4.17Å; T41-Y122 CarbonylContact C-O 3.56Å; T41-Y122 WeakPolarHBondContact CA-O 3.42Å; T41-Y122 WeakPolarHBondContact CB-O 3.32Å; T41-V123 HydrophobicContact CG2-CG1 4.35Å
42	A	87.4	Confident	85	Confident	20 Å²	20	53.5 Å²	53.5	17%	0.165	30%	0.3	C	S	.	.			trans	-71.7	153.5	176.8	0	0	0	0	0	112.1	T46 Y122	A42-T46 HydrophobicContact CB-CG2 3.99Å; A42-Y122 PolarHBondContact N-O 2.91Å
43	S	83.3	Confident	85.6	Confident	108 Å²	108	53.1 Å²	53.1	76%	0.755	30%	0.295	S	S	*	.	S	Bend	trans	-96.4	-21.8	176.4	65.7	0	0	0	0	113.7
44	Q	88.3	Confident	86.1	Confident	132 Å²	132	52.6 Å²	52.6	62%	0.617	29%	0.292	S	S	*	.	S	Bend	trans	-91.7	159.6	169.7	-57.7	-48.9	-58	0	0	109.9	Y122	Q44-Y122 VanDerWaalsContact O-CB 3.31Å; Q44-Y122 WeakPolarHBondContact O-CB 3.37Å; Q44-Y122 WeakPolarHBondContact O-CD2 3.45Å
45	P	91.3	Very high	86.7	Confident	35 Å²	35	48.3 Å²	48.3	23%	0.227	27%	0.27	C	S	.	.			trans	-59.2	147.9	169.7	-20.3	33.5	0	0	0	112	E94 Y122	P45-E94 HydrophobicContact CB-CG 3.85Å; P45-E94 WeakPolarHBondContact CB-OE1 3.23Å; P45-Y122 HydrophobicContact CB-CD1 4.35Å; P45-Y122 HydrophobicContact CB-CE1 3.87Å; P45-Y122 HydrophobicContact CB-CE2 4.33Å; P45-Y122 HydrophobicContact CG-CE2 4.41Å
46	T	93.3	Very high	87.3	Confident	19 Å²	19	41.6 Å²	41.6	12%	0.117	24%	0.241	C	C	.	.			trans	-143.4	153.8	175.9	55.3	0	0	0	0	108.9	A42 N48 A97 Y122 V123	A42-T46 HydrophobicContact CB-CG2 3.99Å; T46-N48 PolarHBondContact O-N 3.07Å; T46-N48 PolarHBondContact OG1-O 2.9Å; T46-A97 VanDerWaalsContact O-CB 3.27Å; T46-A97 WeakPolarHBondContact O-CB 3.36Å; T46-Y122 VanDerWaalsContact N-CD1 3.26Å; T46-Y122 WeakPolarHBondContact OG1-CA 3.45Å; T46-Y122 VanDerWaalsContact OG1-CB 3.29Å; T46-Y122 WeakPolarHBondContact OG1-CB 3.14Å; T46-V123 PolarHBondContact OG1-N 3.2Å; T46-V123 VanDerWaalsContact OG1-N 3.11Å; T46-V123 PolarHBondContact OG1-O 2.89Å
47	K	92.8	Very high	87.8	Confident	81 Å²	81	37.7 Å²	37.7	35%	0.352	24%	0.235	S	C	.	.	S	Bend	trans	-62.8	-24	176.2	77.5	160.8	-166	165.5	0	113.9	E76 T90 Y91	K47-E76 IonicContact NZ-OE1 2.65Å; K47-E76 PolarHBondContact NZ-OE1 3.28Å; K47-E76 IonicContact NZ-OE2 3.36Å; K47-E76 PolarHBondContact NZ-OE2 3.18Å; K47-T90 HydrophobicContact CD-CG2 3.79Å; K47-T90 VanDerWaalsContact CE-CG2 3.47Å; K47-T90 HydrophobicContact CG-CG2 3.98Å; K47-Y91 WeakPolarHBondContact CB-O 3.36Å; K47-Y91 PolarHBondContact O-N 3.45Å
48	N	93.2	Very high	88.4	Confident	18 Å²	18	37.2 Å²	37.2	10%	0.096	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	142.6	176.1	-19.7	-78.2	0	0	0	111.5	T46 V89 T90 V123 D124 V126	T46-N48 PolarHBondContact O-N 3.07Å; T46-N48 PolarHBondContact OG1-O 2.9Å; N48-V89 CarbonylContact C-O 3.54Å; N48-V89 WeakPolarHBondContact CA-O 3.32Å; N48-T90 WeakPolarHBondContact OD1-CG2 3.49Å; N48-T90 PolarHBondContact OD1-OG1 3.29Å; N48-V123 HydrophobicContact CB-CG2 3.83Å; N48-V123 PolarHBondContact ND2-O 2.85Å; N48-V123 PolarHBondContact O-N 3.2Å; N48-D124 PolarHBondContact ND2-O 3.07Å; N48-V126 HydrophobicContact CB-CG2 4.01Å
49	L	93.5	Very high	88.6	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	140.3	174.5	-59.9	177.1	0	0	0	110.1	F88 V89 Y91 A97 A100 H101 L120 S121 Y122	L49-F88 CarbonylContact O-C 3.53Å; L49-F88 WeakPolarHBondContact O-CA 3.29Å; L49-V89 PolarHBondContact N-O 2.97Å; L49-V89 PolarHBondContact O-N 2.93Å; L49-Y91 HydrophobicContact CD1-CD2 4.37Å; L49-Y91 HydrophobicContact CD1-CE2 3.96Å; L49-A97 HydrophobicContact CD1-CB 4.2Å; L49-A97 HydrophobicContact CD2-CB 4.34Å; L49-A97 HydrophobicContact CG-CB 4.13Å; L49-A100 HydrophobicContact CD1-CB 4.12Å; L49-H101 HydrophobicContact CD1-CB 4.45Å; L49-H101 HydrophobicContact CD2-CB 4.2Å; L49-L120 HydrophobicContact CD1-CD2 3.85Å; L49-S121 CarbonylContact C-O 3.55Å; L49-S121 WeakPolarHBondContact CA-O 3.39Å; L49-Y122 HydrophobicContact CD2-CD1 3.31Å; L49-Y122 HydrophobicContact CD2-CE1 3.58Å; L49-Y122 HydrophobicContact CD2-CG 4.21Å
50	V	93.9	Very high	88.9	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	132.2	157.5	66.8	0	0	0	0	109.2	L33 T41 Y86 A87 F88 L120 S121 V123	L33-V50 HydrophobicContact CD1-CG1 3.87Å; L33-V50 HydrophobicContact CD1-CG2 3.87Å; T41-V50 HydrophobicContact CG2-CG1 4.17Å; V50-Y86 HydrophobicContact CG2-CD2 4.15Å; V50-Y86 HydrophobicContact CG2-CG 4.48Å; V50-A87 WeakPolarHBondContact CA-O 3.4Å; V50-F88 HydrophobicContact CB-CD1 3.98Å; V50-F88 HydrophobicContact CB-CE1 3.98Å; V50-F88 HydrophobicContact CG2-CD1 4.09Å; V50-F88 HydrophobicContact CG2-CE1 3.89Å; V50-F88 HydrophobicContact CG2-CZ 4.44Å; V50-L120 CarbonylContact O-C 3.59Å; V50-L120 WeakPolarHBondContact O-CA 3.22Å; V50-S121 PolarHBondContact N-O 3.1Å; V50-S121 PolarHBondContact O-N 3.44Å; V50-V123 HydrophobicContact CB-CG1 3.97Å; V50-V123 HydrophobicContact CG1-CG1 3.7Å
51	V	94.4	Very high	89.1	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	88.8	-177.1	-171.6	0	0	0	0	108.4	G54 L65 M69 Y86 A87 V89 L118 L120	V51-G54 PolarHBondContact O-N 2.78Å; V51-G54 VanDerWaalsContact O-N 3.15Å; V51-L65 HydrophobicContact CG1-CD1 4.34Å; V51-M69 HydrophobicContact CB-CE 4.45Å; V51-M69 HydrophobicContact CG1-CE 3.86Å; V51-M69 HydrophobicContact CG2-CE 3.76Å; V51-Y86 VanDerWaalsContact O-CA 3.28Å; V51-Y86 WeakPolarHBondContact O-CA 3.43Å; V51-A87 PolarHBondContact N-O 3.26Å; V51-A87 PolarHBondContact O-N 2.79Å; V51-A87 VanDerWaalsContact O-N 3.12Å; V51-V89 HydrophobicContact CG2-CB 4.49Å; V51-V89 HydrophobicContact CG2-CG2 3.69Å; V51-L118 HydrophobicContact CG1-CB 4.29Å; V51-L118 HydrophobicContact CG1-CD1 4.19Å; V51-L118 HydrophobicContact CG1-CD2 4.07Å; V51-L118 HydrophobicContact CG1-CG 4.42Å; V51-L120 HydrophobicContact CG1-CD1 4.44Å; V51-L120 HydrophobicContact CG1-CG 4.23Å; V51-L120 HydrophobicContact CG2-CD2 4.28Å; V51-L120 HydrophobicContact CG2-CG 4.2Å
52	A	91.9	Very high	89.1	Confident	7 Å²	7	31.1 Å²	31.1	6%	0.058	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	143.3	175.9	0	0	0	0	0	110.9	A29 L33 G54 Y119	A29-A52 HydrophobicContact CB-CB 3.87Å; L33-A52 HydrophobicContact CD1-CB 4.28Å; A52-G54 PolarHBondContact O-N 2.92Å; A52-Y119 WeakPolarHBondContact CB-O 3.47Å; A52-Y119 PolarHBondContact N-O 3.5Å; A52-Y119 PolarHBondContact O-N 3.24Å
53	N	91.6	Very high	89.2	Confident	55 Å²	55	34.7 Å²	34.7	29%	0.294	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	-0	-167.1	-53.2	-26	0	0	0	115	N58 V60 P85 T117 Y119	N53-N58 PolarHBondContact O-ND2 3.47Å; N53-V60 WeakPolarHBondContact O-CG2 3.34Å; N53-P85 CarbonylContact C-O 3.56Å; N53-P85 WeakPolarHBondContact CA-O 3.41Å; N53-P85 PolarHBondContact N-O 3.39Å; N53-T117 WeakPolarHBondContact CB-O 3.38Å; N53-T117 PolarHBondContact ND2-O 2.86Å; N53-Y119 WeakPolarHBondContact ND2-CD2 3.46Å
54	G	90.9	Very high	89.5	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.178	C	C	.	.			trans	-89.8	-2.7	179.1	0	0	0	0	0	115.5	V51 A52 V60 L65 M80	V51-G54 PolarHBondContact O-N 2.78Å; V51-G54 VanDerWaalsContact O-N 3.15Å; A52-G54 PolarHBondContact O-N 2.92Å; G54-V60 WeakPolarHBondContact O-CB 3.15Å; G54-V60 WeakPolarHBondContact O-CG1 3.24Å; G54-L65 WeakPolarHBondContact O-CD2 3.21Å; G54-M80 VanDerWaalsContact O-CE 3.3Å; G54-M80 WeakPolarHBondContact O-CE 3.38Å
55	G	88.8	Confident	89.7	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-86.1	164.6	-173.4	0	0	0	0	0	115.4	G57 N58 K84 Y86	G55-G57 PolarHBondContact O-N 3.42Å; G55-N58 WeakPolarHBondContact O-CA 3.49Å; G55-N58 PolarHBondContact O-N 2.97Å; G55-K84 CarbonylContact C-O 3.52Å; G55-K84 VanDerWaalsContact C-O 3.3Å; G55-K84 WeakPolarHBondContact CA-O 3.42Å; G55-Y86 VanDerWaalsContact CA-C 3.44Å; G55-Y86 WeakPolarHBondContact CA-O 3.46Å
56	L	83.7	Confident	89.7	Confident	7 Å²	7	25.3 Å²	25.3	4%	0.037	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-55.8	-36.7	179.8	-59.1	163.3	0	0	0	112.1	N58 G59 M80 K84 L301 L323 L325	L56-N58 PolarHBondContact O-N 2.79Å; L56-G59 PolarHBondContact O-N 2.93Å; L56-M80 HydrophobicContact CD1-CB 3.83Å; L56-M80 VanDerWaalsContact CD1-O 3.26Å; L56-M80 WeakPolarHBondContact CD1-O 3.28Å; L56-M80 HydrophobicContact CD2-CE 3.95Å; L56-M80 HydrophobicContact CD2-SD 4.41Å; L56-M80 HydrophobicContact CG-CB 3.93Å; L56-M80 HydrophobicContact CG-CE 4.08Å; L56-K84 PolarHBondContact N-O 3.01Å; L56-L301 HydrophobicContact CB-CD2 3.86Å; L56-L301 HydrophobicContact CD1-CD2 3.93Å; L56-L301 HydrophobicContact CD2-CD2 4.41Å; L56-L301 HydrophobicContact CG-CD2 4.27Å; L56-L323 HydrophobicContact CD1-CB 3.89Å; L56-L325 HydrophobicContact CD2-CG 3.96Å
57	G	82.3	Confident	89.6	Confident	43 Å²	43	27 Å²	27	44%	0.443	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-68.2	-8.7	175.7	0	0	0	0	0	115.2	G55 Q83 K84	G55-G57 PolarHBondContact O-N 3.42Å; G57-Q83 WeakPolarHBondContact CA-O 3.46Å; G57-K84 WeakPolarHBondContact CA-O 3.29Å; G57-K84 PolarHBondContact N-O 3.47Å
58	N	85.3	Confident	89.6	Confident	60 Å²	60	23.5 Å²	23.5	32%	0.321	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-108.5	15.4	171.5	-162.7	53.6	0	0	0	112.4	N53 G55 L56 P85 V116	N53-N58 PolarHBondContact O-ND2 3.47Å; G55-N58 WeakPolarHBondContact O-CA 3.49Å; G55-N58 PolarHBondContact O-N 2.97Å; L56-N58 PolarHBondContact O-N 2.79Å; N58-P85 HydrophobicContact CB-CB 4.09Å; N58-V116 VanDerWaalsContact ND2-CG1 3.28Å; N58-V116 WeakPolarHBondContact ND2-CG1 3.18Å
59	G	82.2	Confident	89.7	Confident	18 Å²	18	22.7 Å²	22.7	19%	0.186	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	25.3	174.2	0	0	0	0	0	115	L56 N114	L56-G59 PolarHBondContact O-N 2.93Å; G59-N114 PolarHBondContact O-ND2 3.32Å
60	V	87.1	Confident	89.7	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.168	C	C	.	.			trans	-102	126.1	178.7	-176.6	0	0	0	0	110	N53 G54 L65 L109 V116 L325	N53-V60 WeakPolarHBondContact O-CG2 3.34Å; G54-V60 WeakPolarHBondContact O-CB 3.15Å; G54-V60 WeakPolarHBondContact O-CG1 3.24Å; V60-L65 HydrophobicContact CG1-CB 4.05Å; V60-L109 HydrophobicContact CG1-CD2 3.68Å; V60-V116 HydrophobicContact CG2-CB 4.46Å; V60-V116 HydrophobicContact CG2-CG1 4.15Å; V60-V116 HydrophobicContact CG2-CG2 3.63Å; V60-L325 WeakPolarHBondContact O-CD1 3.31Å
61	S	87.9	Confident	89.7	Confident	12 Å²	12	35.4 Å²	35.4	8%	0.084	20%	0.199	C	C	.	.			trans	-73.7	160	174.4	81	0	0	0	0	112	E63 D64 L65 S111	S61-E63 VanDerWaalsContact C-N 3.31Å; S61-E63 WeakPolarHBondContact CB-OE2 3.35Å; S61-E63 PolarHBondContact OG-N 3.02Å; S61-D64 WeakPolarHBondContact OG-CB 3.41Å; S61-D64 PolarHBondContact OG-N 2.98Å; S61-D64 PolarHBondContact OG-OD2 3.37Å; S61-L65 PolarHBondContact O-N 2.68Å; S61-S111 PolarHBondContact N-OG 3.35Å
62	R	88.2	Confident	89.6	Confident	37 Å²	37	36.9 Å²	36.9	14%	0.14	21%	0.206	C	C	.	.	H	α-helix	trans	-70.3	-33.2	174.8	-168.5	165	-167.8	-109.1	8.5	111.9	S66 L78 M80 D322 L323 T324	R62-S66 WeakPolarHBondContact O-CB 3.49Å; R62-S66 PolarHBondContact O-N 3.16Å; R62-L78 HydrophobicContact CG-CD2 3.71Å; R62-L78 HydrophobicContact CG-CG 4.26Å; R62-L78 PolarHBondContact NE-O 2.96Å; R62-L78 PolarHBondContact NH2-O 2.86Å; R62-M80 WeakPolarHBondContact CA-SD 3.39Å; R62-M80 HydrophobicContact CB-SD 3.68Å; R62-M80 HydrophobicContact CG-SD 3.68Å; R62-D322 IonicContact CZ-OD1 2.8Å; R62-D322 IonicContact CZ-OD2 2.75Å; R62-D322 IonicContact NH1-OD1 2.72Å; R62-D322 IonicContact NH1-OD2 3.61Å; R62-D322 PolarHBondContact NH1-OD2 3.48Å; R62-D322 IonicContact NH2-OD1 2.66Å; R62-D322 PolarHBondContact NH2-OD1 3.45Å; R62-D322 IonicContact NH2-OD2 3.42Å; R62-D322 PolarHBondContact NH2-OD2 3Å; R62-L323 WeakPolarHBondContact CD-O 3.33Å; R62-T324 WeakPolarHBondContact CB-OG1 3.34Å; R62-T324 PolarHBondContact N-OG1 3.04Å
63	E	88.3	Confident	89.5	Confident	96 Å²	96	37.6 Å²	37.6	45%	0.449	21%	0.214	S	C	.	.	H	α-helix	trans	-68.8	-49.3	-177.7	-62.4	66	-139.8	0	0	110.4	S61 L65 S66 A67 T324	S61-E63 VanDerWaalsContact C-N 3.31Å; S61-E63 WeakPolarHBondContact CB-OE2 3.35Å; S61-E63 PolarHBondContact OG-N 3.02Å; E63-L65 PolarHBondContact O-N 3.42Å; E63-S66 PolarHBondContact O-N 3.31Å; E63-A67 VanDerWaalsContact O-CB 3.25Å; E63-A67 WeakPolarHBondContact O-CB 2.81Å; E63-A67 PolarHBondContact O-N 2.91Å; E63-T324 WeakPolarHBondContact OE1-CB 3.49Å; E63-T324 PolarHBondContact OE1-OG1 2.82Å; E63-T324 PolarHBondContact OE2-OG1 2.81Å
64	D	90.6	Very high	89.4	Confident	59 Å²	59	38.8 Å²	38.8	32%	0.316	22%	0.22	S	C	.	.	H	α-helix	trans	-61.9	-43.5	177.7	-65.4	-54.4	0	0	0	111.2	S61 A68 S111	S61-D64 WeakPolarHBondContact OG-CB 3.41Å; S61-D64 PolarHBondContact OG-N 2.98Å; S61-D64 PolarHBondContact OG-OD2 3.37Å; D64-A68 WeakPolarHBondContact O-CB 3.36Å; D64-A68 PolarHBondContact O-N 3.02Å; D64-S111 VanDerWaalsContact OD2-CA 3.24Å; D64-S111 WeakPolarHBondContact OD2-CA 3.4Å; D64-S111 VanDerWaalsContact OD2-CB 3.25Å; D64-S111 WeakPolarHBondContact OD2-CB 3.48Å; D64-S111 PolarHBondContact OD2-OG 3.25Å
65	L	92.3	Very high	89.4	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-70.5	-41.7	179.1	-170.7	64.6	0	0	0	112.1	V51 G54 V60 S61 E63 A67 A68 M69 L78 M80 A87 L109 L118	V51-L65 HydrophobicContact CG1-CD1 4.34Å; G54-L65 WeakPolarHBondContact O-CD2 3.21Å; V60-L65 HydrophobicContact CG1-CB 4.05Å; S61-L65 PolarHBondContact O-N 2.68Å; E63-L65 PolarHBondContact O-N 3.42Å; L65-A67 VanDerWaalsContact C-N 3.34Å; L65-A67 PolarHBondContact O-N 3.33Å; L65-A68 PolarHBondContact O-N 3.23Å; L65-M69 HydrophobicContact CD1-CE 3.57Å; L65-M69 HydrophobicContact CD1-CG 4.38Å; L65-M69 HydrophobicContact CG-CE 4.4Å; L65-M69 HydrophobicContact CG-CG 4.37Å; L65-M69 WeakPolarHBondContact O-CB 3.42Å; L65-M69 VanDerWaalsContact O-CG 3.24Å; L65-M69 WeakPolarHBondContact O-CG 3.44Å; L65-M69 PolarHBondContact O-N 2.92Å; L65-L78 HydrophobicContact CD2-CD1 3.73Å; L65-L78 HydrophobicContact CG-CD1 4.32Å; L65-M80 HydrophobicContact CB-CE 4.46Å; L65-M80 HydrophobicContact CD2-CE 3.87Å; L65-M80 HydrophobicContact CD2-SD 4.19Å; L65-A87 HydrophobicContact CD2-CB 3.55Å; L65-L109 HydrophobicContact CB-CD2 4.47Å; L65-L109 HydrophobicContact CD1-CD2 3.92Å; L65-L118 HydrophobicContact CD1-CD1 4.25Å
66	S	91.6	Very high	89.3	Confident	18 Å²	18	44.3 Å²	44.3	13%	0.126	25%	0.247	C	C	.	.	H	α-helix	trans	-61.3	-44.1	175.9	-163.5	0	0	0	0	110.8	R62 E63 A68 M69 K70	R62-S66 WeakPolarHBondContact O-CB 3.49Å; R62-S66 PolarHBondContact O-N 3.16Å; E63-S66 PolarHBondContact O-N 3.31Å; S66-A68 PolarHBondContact O-N 2.92Å; S66-M69 PolarHBondContact O-N 3.33Å; S66-K70 WeakPolarHBondContact O-CB 3.27Å; S66-K70 VanDerWaalsContact O-CG 3.3Å; S66-K70 WeakPolarHBondContact O-CG 3.33Å; S66-K70 PolarHBondContact O-N 3.31Å; S66-K70 VanDerWaalsContact OG-CE 3.29Å; S66-K70 WeakPolarHBondContact OG-CE 3.26Å; S66-K70 PolarHBondContact OG-NZ 2.75Å
67	A	91.5	Very high	89.5	Confident	55 Å²	55	46.5 Å²	46.5	46%	0.455	26%	0.264	S	S	.	.	H	α-helix	trans	-64.4	-36	176.4	0	0	0	0	0	112.9	E63 L65 Q71	E63-A67 VanDerWaalsContact O-CB 3.25Å; E63-A67 WeakPolarHBondContact O-CB 2.81Å; E63-A67 PolarHBondContact O-N 2.91Å; L65-A67 VanDerWaalsContact C-N 3.34Å; L65-A67 PolarHBondContact O-N 3.33Å; A67-Q71 WeakPolarHBondContact O-CG 3.32Å; A67-Q71 PolarHBondContact O-NE2 3.46Å
68	A	93.5	Very high	89.8	Confident	7 Å²	7	44.9 Å²	44.9	6%	0.058	25%	0.245	C	C	.	.	H	α-helix	trans	-67.7	-41.8	172.2	0	0	0	0	0	112.5	D64 L65 S66 F72 L109	D64-A68 WeakPolarHBondContact O-CB 3.36Å; D64-A68 PolarHBondContact O-N 3.02Å; L65-A68 PolarHBondContact O-N 3.23Å; S66-A68 PolarHBondContact O-N 2.92Å; A68-F72 VanDerWaalsContact O-CD2 3.29Å; A68-F72 WeakPolarHBondContact O-CD2 3.4Å; A68-F72 VanDerWaalsContact O-CE2 3.25Å; A68-F72 WeakPolarHBondContact O-CE2 3.43Å; A68-L109 HydrophobicContact CB-CD1 3.84Å
69	M	93.9	Very high	89.9	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-74.4	-40.5	-176.3	-67.2	-64.9	156.1	0	0	112.6	V51 L65 S66 Q71 F72 V75 V89 Y91 L104 L118 L120	V51-M69 HydrophobicContact CB-CE 4.45Å; V51-M69 HydrophobicContact CG1-CE 3.86Å; V51-M69 HydrophobicContact CG2-CE 3.76Å; L65-M69 HydrophobicContact CD1-CE 3.57Å; L65-M69 HydrophobicContact CD1-CG 4.38Å; L65-M69 HydrophobicContact CG-CE 4.4Å; L65-M69 HydrophobicContact CG-CG 4.37Å; L65-M69 WeakPolarHBondContact O-CB 3.42Å; L65-M69 VanDerWaalsContact O-CG 3.24Å; L65-M69 WeakPolarHBondContact O-CG 3.44Å; L65-M69 PolarHBondContact O-N 2.92Å; S66-M69 PolarHBondContact O-N 3.33Å; M69-Q71 PolarHBondContact O-N 3.37Å; M69-Q71 VanDerWaalsContact O-N 3.15Å; M69-F72 PolarHBondContact O-N 3.33Å; M69-F72 VanDerWaalsContact O-N 3.08Å; M69-V75 HydrophobicContact CB-CG2 3.96Å; M69-V89 HydrophobicContact CB-CG1 4.28Å; M69-V89 HydrophobicContact CE-CG2 4.48Å; M69-V89 HydrophobicContact CG-CG1 4.16Å; M69-V89 HydrophobicContact CG-CG2 3.92Å; M69-V89 HydrophobicContact SD-CG1 4.36Å; M69-V89 HydrophobicContact SD-CG2 4.09Å; M69-Y91 VanDerWaalsContact CA-OH 3.32Å; M69-Y91 WeakPolarHBondContact CA-OH 3.29Å; M69-Y91 WeakPolarHBondContact CB-OH 3.39Å; M69-Y91 PolarHBondContact O-OH 3.21Å; M69-Y91 PolarHBondContact SD-OH 2.92Å; M69-L104 HydrophobicContact CE-CD1 3.69Å; M69-L104 HydrophobicContact SD-CD1 3.77Å; M69-L118 HydrophobicContact CE-CD1 4.23Å; M69-L120 HydrophobicContact CE-CD2 4.14Å; M69-L120 HydrophobicContact SD-CD2 4.41Å
70	K	93.1	Very high	90.1	Very high	127 Å²	127	42.9 Å²	42.9	55%	0.552	23%	0.228	S	C	*	.	H	α-helix	trans	-63.8	-15.6	179.4	-75.5	169.2	173.1	163.4	0	114.2	S66 F72 V75	S66-K70 WeakPolarHBondContact O-CB 3.27Å; S66-K70 VanDerWaalsContact O-CG 3.3Å; S66-K70 WeakPolarHBondContact O-CG 3.33Å; S66-K70 PolarHBondContact O-N 3.31Å; S66-K70 VanDerWaalsContact OG-CE 3.29Å; S66-K70 WeakPolarHBondContact OG-CE 3.26Å; S66-K70 PolarHBondContact OG-NZ 2.75Å; K70-F72 PolarHBondContact O-N 3.34Å; K70-V75 HydrophobicContact CG-CB 4.39Å; K70-V75 HydrophobicContact CG-CG2 3.96Å
71	Q	94.1	Very high	89.7	Confident	142 Å²	142	43.5 Å²	43.5	66%	0.664	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-18.1	171.9	-73.4	167.1	51.5	0	0	113.7	A67 M69	A67-Q71 WeakPolarHBondContact O-CG 3.32Å; A67-Q71 PolarHBondContact O-NE2 3.46Å; M69-Q71 PolarHBondContact O-N 3.37Å; M69-Q71 VanDerWaalsContact O-N 3.15Å
72	F	92.1	Very high	89	Confident	30 Å²	30	44.5 Å²	44.5	13%	0.132	24%	0.239	C	C	.	.	S	Bend	trans	-110	-6.8	-173.7	-59.1	-77.2	0	0	0	114.1	A68 M69 K70 K99 A100 Q103 L104	A68-F72 VanDerWaalsContact O-CD2 3.29Å; A68-F72 WeakPolarHBondContact O-CD2 3.4Å; A68-F72 VanDerWaalsContact O-CE2 3.25Å; A68-F72 WeakPolarHBondContact O-CE2 3.43Å; M69-F72 PolarHBondContact O-N 3.33Å; M69-F72 VanDerWaalsContact O-N 3.08Å; K70-F72 PolarHBondContact O-N 3.34Å; F72-K99 HydrophobicContact CB-CB 4.23Å; F72-K99 HydrophobicContact CD1-CB 4.42Å; F72-K99 WeakPolarHBondContact O-CD 3.48Å; F72-A100 HydrophobicContact CB-CB 3.8Å; F72-A100 HydrophobicContact CD2-CB 4.33Å; F72-A100 HydrophobicContact CG-CB 4.1Å; F72-Q103 HydrophobicContact CD1-CB 4.22Å; F72-Q103 HydrophobicContact CE1-CB 3.58Å; F72-Q103 HydrophobicContact CE1-CG 4.19Å; F72-Q103 HydrophobicContact CZ-CB 4.15Å; F72-L104 HydrophobicContact CD2-CD1 3.82Å; F72-L104 HydrophobicContact CD2-CG 4.06Å; F72-L104 HydrophobicContact CE2-CD1 3.62Å; F72-L104 HydrophobicContact CE2-CD2 3.63Å; F72-L104 HydrophobicContact CE2-CG 3.48Å; F72-L104 VanDerWaalsContact CE2-CG 3.48Å; F72-L104 HydrophobicContact CZ-CD2 3.95Å; F72-L104 HydrophobicContact CZ-CG 3.94Å
73	G	90.5	Very high	88.3	Confident	23 Å²	23	49.5 Å²	49.5	24%	0.237	26%	0.263	C	S	.	.	S	Bend	trans	151.4	-169.8	176.1	0	0	0	0	0	113.5	D96	G73-D96 WeakPolarHBondContact CA-OD2 3.4Å
74	D	89.8	Confident	88.1	Confident	79 Å²	79	48.1 Å²	48.1	42%	0.422	26%	0.256	S	S	.	.			trans	-83.1	120.6	-172.3	-164.4	2	0	0	0	111.8	Y91 R92 D96	D74-Y91 CarbonylContact O-C 3.57Å; D74-Y91 VanDerWaalsContact O-CA 3.32Å; D74-Y91 WeakPolarHBondContact O-CA 3.17Å; D74-Y91 WeakPolarHBondContact O-CD1 3.04Å; D74-R92 HydrophobicContact CB-CB 4.47Å; D74-R92 HydrophobicContact CB-CG 4.49Å; D74-R92 PolarHBondContact O-N 2.71Å; D74-R92 VanDerWaalsContact OD2-CD 3.31Å; D74-R92 WeakPolarHBondContact OD2-CD 3.37Å; D74-R92 IonicContact OD2-CZ 2.63Å; D74-R92 IonicContact OD2-NE 3.73Å; D74-R92 IonicContact OD2-NH1 3.38Å; D74-R92 PolarHBondContact OD2-NH1 2.72Å; D74-D96 PolarHBondContact N-OD2 3.11Å
75	V	90.6	Very high	88	Confident	21 Å²	21	48 Å²	48	13%	0.127	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	110.2	-174.2	177.4	0	0	0	0	109.2	M69 K70 S77 L78 V89 T90 Y91	M69-V75 HydrophobicContact CB-CG2 3.96Å; K70-V75 HydrophobicContact CG-CB 4.39Å; K70-V75 HydrophobicContact CG-CG2 3.96Å; V75-S77 WeakPolarHBondContact CG1-O 3.45Å; V75-L78 HydrophobicContact CG1-CB 4.5Å; V75-V89 HydrophobicContact CG1-CG1 3.97Å; V75-V89 HydrophobicContact CG2-CG1 4.35Å; V75-T90 CarbonylContact C-O 3.59Å; V75-Y91 HydrophobicContact CG2-CD1 4.03Å; V75-Y91 HydrophobicContact CG2-CE1 3.65Å
76	E	87.8	Confident	88	Confident	95 Å²	95	48.8 Å²	48.8	44%	0.444	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	-38.9	177.2	-170.6	-177.6	145.1	0	0	112	K47 T90 R92	K47-E76 IonicContact NZ-OE1 2.65Å; K47-E76 PolarHBondContact NZ-OE1 3.28Å; K47-E76 IonicContact NZ-OE2 3.36Å; K47-E76 PolarHBondContact NZ-OE2 3.18Å; E76-T90 WeakPolarHBondContact CA-O 3.43Å; E76-T90 HydrophobicContact CB-CG2 4.12Å; E76-T90 WeakPolarHBondContact CB-O 3.36Å; E76-T90 HydrophobicContact CG-CG2 4.48Å; E76-T90 PolarHBondContact N-O 3.06Å; E76-R92 HydrophobicContact CB-CG 3.85Å; E76-R92 HydrophobicContact CG-CG 4.31Å
77	S	87	Confident	88	Confident	54 Å²	54	48 Å²	48	38%	0.378	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	151.9	174	66.3	0	0	0	0	113.3	V75 V89 T90	V75-S77 WeakPolarHBondContact CG1-O 3.45Å; S77-V89 WeakPolarHBondContact O-CA 3.41Å; S77-T90 PolarHBondContact N-O 3.44Å; S77-T90 VanDerWaalsContact N-O 3.14Å; S77-T90 PolarHBondContact O-N 3.36Å; S77-T90 WeakPolarHBondContact OG-CB 3.43Å; S77-T90 PolarHBondContact OG-OG1 2.94Å
78	L	88.8	Confident	88	Confident	9 Å²	9	45.9 Å²	45.9	5%	0.047	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	94.5	174	168.9	56.3	0	0	0	109.1	R62 L65 V75 M80 A87 F88 V89	R62-L78 HydrophobicContact CG-CD2 3.71Å; R62-L78 HydrophobicContact CG-CG 4.26Å; R62-L78 PolarHBondContact NE-O 2.96Å; R62-L78 PolarHBondContact NH2-O 2.86Å; L65-L78 HydrophobicContact CD2-CD1 3.73Å; L65-L78 HydrophobicContact CG-CD1 4.32Å; V75-L78 HydrophobicContact CG1-CB 4.5Å; L78-M80 HydrophobicContact CD1-CG 3.76Å; L78-M80 HydrophobicContact CD1-SD 4.12Å; L78-M80 HydrophobicContact CD2-SD 4.29Å; L78-M80 HydrophobicContact CG-CG 4.06Å; L78-M80 HydrophobicContact CG-SD 4.21Å; L78-A87 HydrophobicContact CD1-CB 4.32Å; L78-F88 WeakPolarHBondContact CA-O 3.37Å; L78-V89 HydrophobicContact CD1-CG2 3.91Å
79	F	86.8	Confident	88	Confident	32 Å²	32	45.6 Å²	45.6	14%	0.14	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.9	177.2	178.5	-127.3	0	0	0	110	P81 F88 V126 H128	F79-P81 HydrophobicContact CD1-CG 4.09Å; F79-P81 HydrophobicContact CE1-CB 4.32Å; F79-P81 HydrophobicContact CE1-CG 3.69Å; F79-P81 HydrophobicContact CZ-CB 4.27Å; F79-P81 HydrophobicContact CZ-CG 4.1Å; F79-F88 HydrophobicContact CB-CB 4.45Å; F79-F88 AromaticContact CD1-CD2 3.85Å; F79-F88 HydrophobicContact CD1-CD2 3.85Å; F79-F88 HydrophobicContact CD1-CE2 4.47Å; F79-F88 HydrophobicContact CE1-CD2 4.49Å; F79-F88 PolarHBondContact N-O 3.02Å; F79-F88 PolarHBondContact O-N 2.66Å; F79-V126 HydrophobicContact CD1-CG1 4.18Å; F79-H128 AromaticContact CD2-CD2 3.95Å; F79-H128 AromaticContact CE1-CD2 3.89Å; F79-H128 AromaticContact CE2-CD2 3.63Å; F79-H128 AromaticContact CE2-NE2 3.65Å; F79-H128 AromaticContact CZ-CD2 3.6Å; F79-H128 AromaticContact CZ-NE2 3.96Å
80	M	86.9	Confident	87.9	Confident	4 Å²	4	45.9 Å²	45.9	2%	0.02	24%	0.236	C	C	.	.			trans	-121.7	93.9	-178.4	-62.9	-174.2	75.6	0	0	109.2	G54 L56 R62 L65 L78 A87	G54-M80 VanDerWaalsContact O-CE 3.3Å; G54-M80 WeakPolarHBondContact O-CE 3.38Å; L56-M80 HydrophobicContact CD1-CB 3.83Å; L56-M80 VanDerWaalsContact CD1-O 3.26Å; L56-M80 WeakPolarHBondContact CD1-O 3.28Å; L56-M80 HydrophobicContact CD2-CE 3.95Å; L56-M80 HydrophobicContact CD2-SD 4.41Å; L56-M80 HydrophobicContact CG-CB 3.93Å; L56-M80 HydrophobicContact CG-CE 4.08Å; R62-M80 WeakPolarHBondContact CA-SD 3.39Å; R62-M80 HydrophobicContact CB-SD 3.68Å; R62-M80 HydrophobicContact CG-SD 3.68Å; L65-M80 HydrophobicContact CB-CE 4.46Å; L65-M80 HydrophobicContact CD2-CE 3.87Å; L65-M80 HydrophobicContact CD2-SD 4.19Å; L78-M80 HydrophobicContact CD1-CG 3.76Å; L78-M80 HydrophobicContact CD1-SD 4.12Å; L78-M80 HydrophobicContact CD2-SD 4.29Å; L78-M80 HydrophobicContact CG-CG 4.06Å; L78-M80 HydrophobicContact CG-SD 4.21Å; M80-A87 HydrophobicContact CE-CB 4.44Å; M80-A87 HydrophobicContact CG-CB 3.84Å
81	P	78.3	Confident	88	Confident	13 Å²	13	39.8 Å²	39.8	8%	0.084	21%	0.209	C	C	.	.			trans	-61.9	137.9	-175.7	-16.3	25.7	0	0	0	111.5	F79 Q83 K84 Y86 F88	F79-P81 HydrophobicContact CD1-CG 4.09Å; F79-P81 HydrophobicContact CE1-CB 4.32Å; F79-P81 HydrophobicContact CE1-CG 3.69Å; F79-P81 HydrophobicContact CZ-CB 4.27Å; F79-P81 HydrophobicContact CZ-CG 4.1Å; P81-Q83 PolarHBondContact O-N 3.16Å; P81-K84 HydrophobicContact CB-CB 4.02Å; P81-K84 HydrophobicContact CB-CG 3.73Å; P81-K84 HydrophobicContact CG-CB 4.49Å; P81-K84 HydrophobicContact CG-CG 4.46Å; P81-K84 PolarHBondContact O-N 3.31Å; P81-Y86 HydrophobicContact CG-CE2 4.16Å; P81-F88 HydrophobicContact CG-CD2 4.32Å; P81-F88 HydrophobicContact CG-CE2 4.23Å
82	P	73.9	Confident	87.8	Confident	33 Å²	33	41.3 Å²	41.3	21%	0.214	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	137.7	-176.5	22.3	-32	0	0	0	111.6	K84 E131 L301 L323	P82-K84 PolarHBondContact O-N 2.97Å; P82-E131 WeakPolarHBondContact CD-OE1 3.05Å; P82-E131 WeakPolarHBondContact CG-OE1 3.42Å; P82-L301 HydrophobicContact CB-CD1 4.19Å; P82-L323 HydrophobicContact CB-CD1 3.97Å; P82-L323 HydrophobicContact CG-CD1 4.29Å
83	Q	73.9	Confident	87.9	Confident	142 Å²	142	42 Å²	42	66%	0.664	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	3.4	180	-49.1	-178	30.6	0	0	116.2	G57 P81 L301	G57-Q83 WeakPolarHBondContact CA-O 3.46Å; P81-Q83 PolarHBondContact O-N 3.16Å; Q83-L301 HydrophobicContact CG-CD1 3.98Å
84	K	83.5	Confident	88.1	Confident	66 Å²	66	45 Å²	45	29%	0.287	23%	0.225	S	C	.	.			trans	-84.1	144.8	176.8	-67	-56.7	-162.9	172.6	0	112.1	E37 G55 L56 G57 P81 P82 Y86	E37-K84 IonicContact OE1-NZ 3.53Å; E37-K84 PolarHBondContact OE1-NZ 3.16Å; E37-K84 WeakPolarHBondContact OE2-CE 3.3Å; E37-K84 IonicContact OE2-NZ 2.7Å; E37-K84 PolarHBondContact OE2-NZ 3.34Å; G55-K84 CarbonylContact C-O 3.52Å; G55-K84 VanDerWaalsContact C-O 3.3Å; G55-K84 WeakPolarHBondContact CA-O 3.42Å; L56-K84 PolarHBondContact N-O 3.01Å; G57-K84 WeakPolarHBondContact CA-O 3.29Å; G57-K84 PolarHBondContact N-O 3.47Å; P81-K84 HydrophobicContact CB-CB 4.02Å; P81-K84 HydrophobicContact CB-CG 3.73Å; P81-K84 HydrophobicContact CG-CB 4.49Å; P81-K84 HydrophobicContact CG-CG 4.46Å; P81-K84 PolarHBondContact O-N 3.31Å; P82-K84 PolarHBondContact O-N 2.97Å; K84-Y86 HydrophobicContact CB-CD1 4.08Å; K84-Y86 HydrophobicContact CB-CE1 3.74Å; K84-Y86 HydrophobicContact CB-CE2 4.32Å; K84-Y86 HydrophobicContact CD-CE1 3.91Å; K84-Y86 WeakPolarHBondContact CE-OH 3.48Å; K84-Y86 HydrophobicContact CG-CE1 3.99Å; K84-Y86 HydrophobicContact CG-CE2 4.48Å; K84-Y86 PolarHBondContact O-N 2.91Å
85	P	88.9	Confident	88.3	Confident	58 Å²	58	44.7 Å²	44.7	38%	0.377	22%	0.224	S	C	.	.	S	Bend	trans	-82.9	17.9	178.6	35.2	-36.5	0	0	0	113.3	N53 N58	N53-P85 CarbonylContact C-O 3.56Å; N53-P85 WeakPolarHBondContact CA-O 3.41Å; N53-P85 PolarHBondContact N-O 3.39Å; N58-P85 HydrophobicContact CB-CB 4.09Å
86	Y	91.3	Very high	88.5	Confident	16 Å²	16	44.9 Å²	44.9	6%	0.063	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	159	179.5	56.6	-90.2	0	0	0	110.8	L33 E37 I39 V50 V51 G55 P81 K84 F88	L33-Y86 HydrophobicContact CD2-CD1 3.46Å; L33-Y86 VanDerWaalsContact CD2-CD1 3.46Å; L33-Y86 HydrophobicContact CD2-CD2 4.27Å; L33-Y86 HydrophobicContact CD2-CE1 3.86Å; L33-Y86 HydrophobicContact CD2-CG 3.7Å; E37-Y86 VanDerWaalsContact CD-OH 3.31Å; E37-Y86 HydrophobicContact CG-CE1 3.72Å; E37-Y86 PolarHBondContact OE2-OH 2.57Å; I39-Y86 HydrophobicContact CD1-CD2 4.25Å; I39-Y86 HydrophobicContact CD1-CE2 3.6Å; V50-Y86 HydrophobicContact CG2-CD2 4.15Å; V50-Y86 HydrophobicContact CG2-CG 4.48Å; V51-Y86 VanDerWaalsContact O-CA 3.28Å; V51-Y86 WeakPolarHBondContact O-CA 3.43Å; G55-Y86 VanDerWaalsContact CA-C 3.44Å; G55-Y86 WeakPolarHBondContact CA-O 3.46Å; P81-Y86 HydrophobicContact CG-CE2 4.16Å; K84-Y86 HydrophobicContact CB-CD1 4.08Å; K84-Y86 HydrophobicContact CB-CE1 3.74Å; K84-Y86 HydrophobicContact CB-CE2 4.32Å; K84-Y86 HydrophobicContact CD-CE1 3.91Å; K84-Y86 WeakPolarHBondContact CE-OH 3.48Å; K84-Y86 HydrophobicContact CG-CE1 3.99Å; K84-Y86 HydrophobicContact CG-CE2 4.48Å; K84-Y86 PolarHBondContact O-N 2.91Å; Y86-F88 HydrophobicContact CD2-CE2 4.09Å; Y86-F88 HydrophobicContact CD2-CZ 4.37Å; Y86-F88 AromaticContact CE2-CE2 3.78Å; Y86-F88 HydrophobicContact CE2-CE2 3.78Å; Y86-F88 HydrophobicContact CE2-CZ 4.08Å
87	A	92.2	Very high	88.7	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	165.2	172.9	0	0	0	0	0	110.2	V50 V51 L65 L78 M80	V50-A87 WeakPolarHBondContact CA-O 3.4Å; V51-A87 PolarHBondContact N-O 3.26Å; V51-A87 PolarHBondContact O-N 2.79Å; V51-A87 VanDerWaalsContact O-N 3.12Å; L65-A87 HydrophobicContact CD2-CB 3.55Å; L78-A87 HydrophobicContact CD1-CB 4.32Å; M80-A87 HydrophobicContact CE-CB 4.44Å; M80-A87 HydrophobicContact CG-CB 3.84Å
88	F	92	Very high	89.1	Confident	12 Å²	12	41.8 Å²	41.8	5%	0.053	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	137.5	168.9	-62.1	-87.1	0	0	0	110.2	I39 L49 V50 L78 F79 P81 Y86 V123 V126	I39-F88 HydrophobicContact CD1-CE1 4.35Å; I39-F88 HydrophobicContact CD1-CZ 3.64Å; I39-F88 HydrophobicContact CG1-CZ 4.15Å; I39-F88 HydrophobicContact CG2-CE1 4.24Å; L49-F88 CarbonylContact O-C 3.53Å; L49-F88 WeakPolarHBondContact O-CA 3.29Å; V50-F88 HydrophobicContact CB-CD1 3.98Å; V50-F88 HydrophobicContact CB-CE1 3.98Å; V50-F88 HydrophobicContact CG2-CD1 4.09Å; V50-F88 HydrophobicContact CG2-CE1 3.89Å; V50-F88 HydrophobicContact CG2-CZ 4.44Å; L78-F88 WeakPolarHBondContact CA-O 3.37Å; F79-F88 HydrophobicContact CB-CB 4.45Å; F79-F88 AromaticContact CD1-CD2 3.85Å; F79-F88 HydrophobicContact CD1-CD2 3.85Å; F79-F88 HydrophobicContact CD1-CE2 4.47Å; F79-F88 HydrophobicContact CE1-CD2 4.49Å; F79-F88 PolarHBondContact N-O 3.02Å; F79-F88 PolarHBondContact O-N 2.66Å; P81-F88 HydrophobicContact CG-CD2 4.32Å; P81-F88 HydrophobicContact CG-CE2 4.23Å; Y86-F88 HydrophobicContact CD2-CE2 4.09Å; Y86-F88 HydrophobicContact CD2-CZ 4.37Å; Y86-F88 AromaticContact CE2-CE2 3.78Å; Y86-F88 HydrophobicContact CE2-CE2 3.78Å; Y86-F88 HydrophobicContact CE2-CZ 4.08Å; F88-V123 HydrophobicContact CD1-CG2 4.37Å; F88-V126 HydrophobicContact CB-CG1 3.79Å; F88-V126 HydrophobicContact CB-CG2 3.88Å; F88-V126 HydrophobicContact CD1-CG1 4.14Å; F88-V126 HydrophobicContact CD1-CG2 4.1Å; F88-V126 HydrophobicContact CD2-CG1 3.98Å; F88-V126 HydrophobicContact CG-CG1 3.73Å; F88-V126 HydrophobicContact CG-CG2 4.2Å
89	V	93	Very high	89.3	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	124.6	179.5	-175.9	0	0	0	0	108.1	N48 L49 V51 M69 V75 S77 L78 Y91	N48-V89 CarbonylContact C-O 3.54Å; N48-V89 WeakPolarHBondContact CA-O 3.32Å; L49-V89 PolarHBondContact N-O 2.97Å; L49-V89 PolarHBondContact O-N 2.93Å; V51-V89 HydrophobicContact CG2-CB 4.49Å; V51-V89 HydrophobicContact CG2-CG2 3.69Å; M69-V89 HydrophobicContact CB-CG1 4.28Å; M69-V89 HydrophobicContact CE-CG2 4.48Å; M69-V89 HydrophobicContact CG-CG1 4.16Å; M69-V89 HydrophobicContact CG-CG2 3.92Å; M69-V89 HydrophobicContact SD-CG1 4.36Å; M69-V89 HydrophobicContact SD-CG2 4.09Å; V75-V89 HydrophobicContact CG1-CG1 3.97Å; V75-V89 HydrophobicContact CG2-CG1 4.35Å; S77-V89 WeakPolarHBondContact O-CA 3.41Å; L78-V89 HydrophobicContact CD1-CG2 3.91Å; V89-Y91 HydrophobicContact CG1-CD2 3.97Å; V89-Y91 HydrophobicContact CG1-CE2 3.58Å
90	T	92.2	Very high	89.6	Confident	7 Å²	7	44.2 Å²	44.2	4%	0.043	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.1	169.7	-53.4	0	0	0	0	108.3	K47 N48 V75 E76 S77	K47-T90 HydrophobicContact CD-CG2 3.79Å; K47-T90 VanDerWaalsContact CE-CG2 3.47Å; K47-T90 HydrophobicContact CG-CG2 3.98Å; N48-T90 WeakPolarHBondContact OD1-CG2 3.49Å; N48-T90 PolarHBondContact OD1-OG1 3.29Å; V75-T90 CarbonylContact C-O 3.59Å; E76-T90 WeakPolarHBondContact CA-O 3.43Å; E76-T90 HydrophobicContact CB-CG2 4.12Å; E76-T90 WeakPolarHBondContact CB-O 3.36Å; E76-T90 HydrophobicContact CG-CG2 4.48Å; E76-T90 PolarHBondContact N-O 3.06Å; S77-T90 PolarHBondContact N-O 3.44Å; S77-T90 VanDerWaalsContact N-O 3.14Å; S77-T90 PolarHBondContact O-N 3.36Å; S77-T90 WeakPolarHBondContact OG-CB 3.43Å; S77-T90 PolarHBondContact OG-OG1 2.94Å
91	Y	94	Very high	89.9	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	152.9	169.8	-74	-92.8	0	0	0	110	K47 L49 M69 D74 V75 V89 S93 D96 A97 A100	K47-Y91 WeakPolarHBondContact CB-O 3.36Å; K47-Y91 PolarHBondContact O-N 3.45Å; L49-Y91 HydrophobicContact CD1-CD2 4.37Å; L49-Y91 HydrophobicContact CD1-CE2 3.96Å; M69-Y91 VanDerWaalsContact CA-OH 3.32Å; M69-Y91 WeakPolarHBondContact CA-OH 3.29Å; M69-Y91 WeakPolarHBondContact CB-OH 3.39Å; M69-Y91 PolarHBondContact O-OH 3.21Å; M69-Y91 PolarHBondContact SD-OH 2.92Å; D74-Y91 CarbonylContact O-C 3.57Å; D74-Y91 VanDerWaalsContact O-CA 3.32Å; D74-Y91 WeakPolarHBondContact O-CA 3.17Å; D74-Y91 WeakPolarHBondContact O-CD1 3.04Å; V75-Y91 HydrophobicContact CG2-CD1 4.03Å; V75-Y91 HydrophobicContact CG2-CE1 3.65Å; V89-Y91 HydrophobicContact CG1-CD2 3.97Å; V89-Y91 HydrophobicContact CG1-CE2 3.58Å; Y91-S93 WeakPolarHBondContact CB-O 3.25Å; Y91-S93 PolarHBondContact O-N 3.1Å; Y91-D96 HydrophobicContact CD1-CB 3.6Å; Y91-D96 HydrophobicContact CE1-CB 4.25Å; Y91-D96 HydrophobicContact CG-CB 4.03Å; Y91-A97 HydrophobicContact CD2-CB 3.8Å; Y91-A97 HydrophobicContact CG-CB 4.29Å; Y91-A100 HydrophobicContact CE2-CB 3.84Å; Y91-A100 VanDerWaalsContact OH-CB 3.26Å; Y91-A100 WeakPolarHBondContact OH-CB 3.3Å
92	R	91.4	Very high	90.5	Very high	173 Å²	173	50.1 Å²	50.1	65%	0.653	24%	0.243	S	C	*	.	S	Bend	trans	-66.6	-18.2	170.9	-67.5	-168.8	176.8	157.1	-10.1	113	D74 E76	D74-R92 HydrophobicContact CB-CB 4.47Å; D74-R92 HydrophobicContact CB-CG 4.49Å; D74-R92 PolarHBondContact O-N 2.71Å; D74-R92 VanDerWaalsContact OD2-CD 3.31Å; D74-R92 WeakPolarHBondContact OD2-CD 3.37Å; D74-R92 IonicContact OD2-CZ 2.63Å; D74-R92 IonicContact OD2-NE 3.73Å; D74-R92 IonicContact OD2-NH1 3.38Å; D74-R92 PolarHBondContact OD2-NH1 2.72Å; E76-R92 HydrophobicContact CB-CG 3.85Å; E76-R92 HydrophobicContact CG-CG 4.31Å
93	S	93.3	Very high	91.3	Very high	45 Å²	45	53.6 Å²	53.6	32%	0.315	26%	0.256	S	S	.	.			trans	-131	137.1	-180	-176.4	0	0	0	0	112.2	Y91 D95 D96 A97	Y91-S93 WeakPolarHBondContact CB-O 3.25Å; Y91-S93 PolarHBondContact O-N 3.1Å; S93-D95 PolarHBondContact O-N 2.86Å; S93-D95 PolarHBondContact OG-N 2.78Å; S93-D96 PolarHBondContact O-N 2.77Å; S93-A97 PolarHBondContact O-N 2.96Å; S93-A97 VanDerWaalsContact O-N 3.17Å
94	E	94.1	Very high	92.1	Very high	85 Å²	85	47.7 Å²	47.7	40%	0.397	23%	0.229	S	C	.	.	H	α-helix	trans	-62.2	-32.5	170.8	-167.8	-158.9	104.7	0	0	111.7	P45 D96 A97 R98	P45-E94 HydrophobicContact CB-CG 3.85Å; P45-E94 WeakPolarHBondContact CB-OE1 3.23Å; E94-D96 VanDerWaalsContact C-N 3.25Å; E94-D96 PolarHBondContact O-N 2.95Å; E94-A97 PolarHBondContact O-N 2.89Å; E94-R98 WeakPolarHBondContact O-CB 3.44Å; E94-R98 PolarHBondContact O-N 3.28Å; E94-R98 IonicContact OE1-NH1 2.68Å; E94-R98 PolarHBondContact OE1-NH1 3.15Å
95	D	93.9	Very high	92.4	Very high	74 Å²	74	45.8 Å²	45.8	40%	0.396	22%	0.222	S	C	.	.	H	α-helix	trans	-61.6	-36	175.8	-83.9	23.7	0	0	0	111.9	S93 R98 K99	S93-D95 PolarHBondContact O-N 2.86Å; S93-D95 PolarHBondContact OG-N 2.78Å; D95-R98 PolarHBondContact O-N 2.96Å; D95-R98 IonicContact OD1-CZ 2.77Å; D95-R98 IonicContact OD1-NH1 2.74Å; D95-R98 PolarHBondContact OD1-NH1 2.8Å; D95-R98 IonicContact OD1-NH2 2.74Å; D95-R98 PolarHBondContact OD1-NH2 2.9Å; D95-R98 IonicContact OD2-NH2 3.46Å; D95-R98 PolarHBondContact OD2-NH2 2.93Å; D95-K99 VanDerWaalsContact O-CG 3.24Å; D95-K99 WeakPolarHBondContact O-CG 3.26Å; D95-K99 PolarHBondContact O-N 3.19Å
96	D	94.9	Very high	92.3	Very high	24 Å²	24	44 Å²	44	13%	0.128	22%	0.215	C	C	.	.	H	α-helix	trans	-76.8	-43.1	-179.9	-65.9	-11	0	0	0	111	G73 D74 Y91 S93 E94 R98 K99 A100	G73-D96 WeakPolarHBondContact CA-OD2 3.4Å; D74-D96 PolarHBondContact N-OD2 3.11Å; Y91-D96 HydrophobicContact CD1-CB 3.6Å; Y91-D96 HydrophobicContact CE1-CB 4.25Å; Y91-D96 HydrophobicContact CG-CB 4.03Å; S93-D96 PolarHBondContact O-N 2.77Å; E94-D96 VanDerWaalsContact C-N 3.25Å; E94-D96 PolarHBondContact O-N 2.95Å; D96-R98 PolarHBondContact O-N 3.1Å; D96-K99 WeakPolarHBondContact O-CB 3.37Å; D96-K99 PolarHBondContact O-N 2.84Å; D96-K99 IonicContact OD1-NZ 3.12Å; D96-K99 PolarHBondContact OD1-NZ 2.93Å; D96-A100 WeakPolarHBondContact O-CB 3.42Å; D96-A100 PolarHBondContact O-N 3.27Å
97	A	93.1	Very high	92.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57	-38.8	169.1	0	0	0	0	0	111.7	T46 L49 Y91 S93 E94 A100 H101	T46-A97 VanDerWaalsContact O-CB 3.27Å; T46-A97 WeakPolarHBondContact O-CB 3.36Å; L49-A97 HydrophobicContact CD1-CB 4.2Å; L49-A97 HydrophobicContact CD2-CB 4.34Å; L49-A97 HydrophobicContact CG-CB 4.13Å; Y91-A97 HydrophobicContact CD2-CB 3.8Å; Y91-A97 HydrophobicContact CG-CB 4.29Å; S93-A97 PolarHBondContact O-N 2.96Å; S93-A97 VanDerWaalsContact O-N 3.17Å; E94-A97 PolarHBondContact O-N 2.89Å; A97-A100 PolarHBondContact O-N 2.87Å; A97-H101 WeakPolarHBondContact O-CB 3.16Å; A97-H101 PolarHBondContact O-N 2.81Å
98	R	94.4	Very high	92.3	Very high	85 Å²	85	55.4 Å²	55.4	32%	0.321	27%	0.267	S	S	.	.	H	α-helix	trans	-70.4	-37.2	177.2	-169.9	170.3	70.5	-109.7	-3.4	112.6	E94 D95 D96 T102	E94-R98 WeakPolarHBondContact O-CB 3.44Å; E94-R98 PolarHBondContact O-N 3.28Å; E94-R98 IonicContact OE1-NH1 2.68Å; E94-R98 PolarHBondContact OE1-NH1 3.15Å; D95-R98 PolarHBondContact O-N 2.96Å; D95-R98 IonicContact OD1-CZ 2.77Å; D95-R98 IonicContact OD1-NH1 2.74Å; D95-R98 PolarHBondContact OD1-NH1 2.8Å; D95-R98 IonicContact OD1-NH2 2.74Å; D95-R98 PolarHBondContact OD1-NH2 2.9Å; D95-R98 IonicContact OD2-NH2 3.46Å; D95-R98 PolarHBondContact OD2-NH2 2.93Å; D96-R98 PolarHBondContact O-N 3.1Å; R98-T102 VanDerWaalsContact O-CB 3.28Å; R98-T102 WeakPolarHBondContact O-CB 3.47Å; R98-T102 PolarHBondContact O-N 2.97Å; R98-T102 PolarHBondContact O-OG1 3.1Å
99	K	93.6	Very high	92.3	Very high	92 Å²	92	55.9 Å²	55.9	40%	0.4	27%	0.269	S	S	.	.	H	α-helix	trans	-61.5	-51	170.3	-70.9	162.1	-154.5	165.1	0	110.7	F72 D95 D96 T102 Q103	F72-K99 HydrophobicContact CB-CB 4.23Å; F72-K99 HydrophobicContact CD1-CB 4.42Å; F72-K99 WeakPolarHBondContact O-CD 3.48Å; D95-K99 VanDerWaalsContact O-CG 3.24Å; D95-K99 WeakPolarHBondContact O-CG 3.26Å; D95-K99 PolarHBondContact O-N 3.19Å; D96-K99 WeakPolarHBondContact O-CB 3.37Å; D96-K99 PolarHBondContact O-N 2.84Å; D96-K99 IonicContact OD1-NZ 3.12Å; D96-K99 PolarHBondContact OD1-NZ 2.93Å; K99-T102 PolarHBondContact O-N 2.78Å; K99-Q103 WeakPolarHBondContact O-CB 3.22Å; K99-Q103 WeakPolarHBondContact O-CG 3.43Å; K99-Q103 PolarHBondContact O-N 2.85Å
100	A	93.4	Very high	92.1	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.7	-50.4	-179.7	0	0	0	0	0	111.8	L49 F72 Y91 D96 A97 T102 Q103 L104	L49-A100 HydrophobicContact CD1-CB 4.12Å; F72-A100 HydrophobicContact CB-CB 3.8Å; F72-A100 HydrophobicContact CD2-CB 4.33Å; F72-A100 HydrophobicContact CG-CB 4.1Å; Y91-A100 HydrophobicContact CE2-CB 3.84Å; Y91-A100 VanDerWaalsContact OH-CB 3.26Å; Y91-A100 WeakPolarHBondContact OH-CB 3.3Å; D96-A100 WeakPolarHBondContact O-CB 3.42Å; D96-A100 PolarHBondContact O-N 3.27Å; A97-A100 PolarHBondContact O-N 2.87Å; A100-T102 VanDerWaalsContact C-N 3.29Å; A100-T102 PolarHBondContact O-N 2.89Å; A100-Q103 PolarHBondContact O-N 3.08Å; A100-L104 WeakPolarHBondContact O-CB 3.45Å; A100-L104 PolarHBondContact O-N 3.42Å
101	H	93.4	Very high	91.7	Very high	44 Å²	44	61.4 Å²	61.4	20%	0.204	30%	0.295	C	S	.	.	H	α-helix	trans	-57.7	-39.3	175.7	175.1	-79.5	0	0	0	112.4	L49 A97 N105 Y122	L49-H101 HydrophobicContact CD1-CB 4.45Å; L49-H101 HydrophobicContact CD2-CB 4.2Å; A97-H101 WeakPolarHBondContact O-CB 3.16Å; A97-H101 PolarHBondContact O-N 2.81Å; H101-N105 WeakPolarHBondContact O-CB 3.25Å; H101-Y122 HydrophobicContact CB-CE1 3.98Å; H101-Y122 WeakPolarHBondContact CB-OH 3.5Å; H101-Y122 AromaticContact CD2-CE2 3.71Å; H101-Y122 AromaticContact CD2-CZ 3.78Å; H101-Y122 PolarHBondContact CE1-OH 2.98Å; H101-Y122 AromaticContact CG-CE2 3.79Å; H101-Y122 AromaticContact CG-CZ 3.48Å; H101-Y122 VanDerWaalsContact CG-CZ 3.48Å; H101-Y122 AromaticContact ND1-CE2 3.82Å; H101-Y122 AromaticContact ND1-CZ 3.74Å; H101-Y122 PolarHBondContact ND1-OH 3.07Å
102	T	89.9	Confident	91	Very high	96 Å²	96	64.9 Å²	64.9	59%	0.589	33%	0.332	S	S	*	.	H	α-helix	trans	-74.3	-33.6	-178.7	-55.8	0	0	0	0	112.6	R98 K99 A100	R98-T102 VanDerWaalsContact O-CB 3.28Å; R98-T102 WeakPolarHBondContact O-CB 3.47Å; R98-T102 PolarHBondContact O-N 2.97Å; R98-T102 PolarHBondContact O-OG1 3.1Å; K99-T102 PolarHBondContact O-N 2.78Å; A100-T102 VanDerWaalsContact C-N 3.29Å; A100-T102 PolarHBondContact O-N 2.89Å
103	Q	90.2	Very high	90.2	Very high	106 Å²	106	62.7 Å²	62.7	50%	0.495	33%	0.329	S	S	.	.	H	α-helix	trans	-99.3	-36	-171.1	-67	-177.9	83.5	0	0	114.2	F72 K99 A100 Q107	F72-Q103 HydrophobicContact CD1-CB 4.22Å; F72-Q103 HydrophobicContact CE1-CB 3.58Å; F72-Q103 HydrophobicContact CE1-CG 4.19Å; F72-Q103 HydrophobicContact CZ-CB 4.15Å; K99-Q103 WeakPolarHBondContact O-CB 3.22Å; K99-Q103 WeakPolarHBondContact O-CG 3.43Å; K99-Q103 PolarHBondContact O-N 2.85Å; A100-Q103 PolarHBondContact O-N 3.08Å; Q103-Q107 WeakPolarHBondContact O-CG 3.37Å; Q103-Q107 PolarHBondContact O-NE2 2.89Å
104	L	90.7	Very high	89.4	Confident	19 Å²	19	63.2 Å²	63.2	10%	0.099	33%	0.328	C	S	.	.	H	α-helix	trans	-88.3	-19.4	-179.2	-69.4	177.5	0	0	0	114.4	M69 F72 A100 G106 Q107 L120	M69-L104 HydrophobicContact CE-CD1 3.69Å; M69-L104 HydrophobicContact SD-CD1 3.77Å; F72-L104 HydrophobicContact CD2-CD1 3.82Å; F72-L104 HydrophobicContact CD2-CG 4.06Å; F72-L104 HydrophobicContact CE2-CD1 3.62Å; F72-L104 HydrophobicContact CE2-CD2 3.63Å; F72-L104 HydrophobicContact CE2-CG 3.48Å; F72-L104 VanDerWaalsContact CE2-CG 3.48Å; F72-L104 HydrophobicContact CZ-CD2 3.95Å; F72-L104 HydrophobicContact CZ-CG 3.94Å; A100-L104 WeakPolarHBondContact O-CB 3.45Å; A100-L104 PolarHBondContact O-N 3.42Å; L104-G106 PolarHBondContact O-N 2.63Å; L104-G106 VanDerWaalsContact O-N 3.1Å; L104-Q107 WeakPolarHBondContact O-CB 3.22Å; L104-Q107 PolarHBondContact O-N 3.05Å; L104-L120 HydrophobicContact CB-CD1 3.75Å; L104-L120 HydrophobicContact CB-CD2 4.24Å
105	N	90.8	Very high	89.2	Confident	25 Å²	25	62 Å²	62	13%	0.134	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	110.8	-174.3	179	43.6	0	0	0	111.3	V22 Q26 H101 Y119 L120	V22-N105 WeakPolarHBondContact CG1-O 3.49Å; Q26-N105 PolarHBondContact NE2-ND2 3.2Å; Q26-N105 PolarHBondContact OE1-ND2 3.11Å; H101-N105 WeakPolarHBondContact O-CB 3.25Å; N105-Y119 WeakPolarHBondContact OD1-CA 3.46Å; N105-L120 HydrophobicContact CB-CB 4.45Å; N105-L120 HydrophobicContact CB-CD1 4.25Å; N105-L120 PolarHBondContact OD1-N 2.87Å
106	G	86.5	Confident	89	Confident	22 Å²	22	59.1 Å²	59.1	23%	0.227	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.4	-2	-172.1	0	0	0	0	0	115.1	L104 T117 L118	L104-G106 PolarHBondContact O-N 2.63Å; L104-G106 VanDerWaalsContact O-N 3.1Å; G106-T117 WeakPolarHBondContact O-CG2 3.43Å; G106-L118 WeakPolarHBondContact CA-O 3.4Å; G106-L118 PolarHBondContact N-O 3.35Å
107	Q	91.3	Very high	88.9	Confident	110 Å²	110	59.6 Å²	59.6	51%	0.514	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-80.9	159	175.7	-61.2	-62	-4.9	0	0	112.6	Q103 L104 T117 L118	Q103-Q107 WeakPolarHBondContact O-CG 3.37Å; Q103-Q107 PolarHBondContact O-NE2 2.89Å; L104-Q107 WeakPolarHBondContact O-CB 3.22Å; L104-Q107 PolarHBondContact O-N 3.05Å; Q107-T117 CarbonylContact O-C 3.54Å; Q107-T117 VanDerWaalsContact O-CA 3.29Å; Q107-T117 WeakPolarHBondContact O-CA 3.16Å; Q107-T117 WeakPolarHBondContact O-CG2 3.37Å; Q107-L118 PolarHBondContact O-N 2.94Å
108	K	91.7	Very high	89	Confident	145 Å²	145	59.7 Å²	59.7	63%	0.63	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	127	170.7	-73.8	-174.5	171.1	-166.8	0	111.3	V116	K108-V116 CarbonylContact C-O 3.48Å; K108-V116 VanDerWaalsContact CA-O 3.25Å; K108-V116 WeakPolarHBondContact CA-O 3.4Å
109	L	92.3	Very high	88.9	Confident	21 Å²	21	56.5 Å²	56.5	11%	0.11	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	138.3	160.6	-178.4	61.9	0	0	0	108.4	V60 L65 A68 V116 L118	V60-L109 HydrophobicContact CG1-CD2 3.68Å; L65-L109 HydrophobicContact CB-CD2 4.47Å; L65-L109 HydrophobicContact CD1-CD2 3.92Å; A68-L109 HydrophobicContact CB-CD1 3.84Å; L109-V116 HydrophobicContact CB-CG2 4.03Å; L109-V116 PolarHBondContact N-O 2.83Å; L109-V116 PolarHBondContact O-N 3.18Å; L109-L118 HydrophobicContact CB-CD1 4.08Å; L109-L118 HydrophobicContact CB-CD2 4.24Å; L109-L118 HydrophobicContact CB-CG 4.07Å; L109-L118 HydrophobicContact CD2-CD1 4.28Å; L109-L118 HydrophobicContact CD2-CD2 4.34Å
110	Q	89.6	Confident	89	Confident	116 Å²	116	52.1 Å²	52.1	54%	0.542	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	140.2	164.9	-53.5	-65	10	0	0	108	N114 S115	Q110-N114 WeakPolarHBondContact CA-O 3.26Å; Q110-S115 PolarHBondContact NE2-OG 3.47Å; Q110-S115 PolarHBondContact OE1-OG 3.4Å
111	S	83.7	Confident	89	Confident	7 Å²	7	52.5 Å²	52.5	5%	0.049	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	101.6	174.5	-173.5	0	0	0	0	109.1	S61 D64 E113 N114	S61-S111 PolarHBondContact N-OG 3.35Å; D64-S111 VanDerWaalsContact OD2-CA 3.24Å; D64-S111 WeakPolarHBondContact OD2-CA 3.4Å; D64-S111 VanDerWaalsContact OD2-CB 3.25Å; D64-S111 WeakPolarHBondContact OD2-CB 3.48Å; D64-S111 PolarHBondContact OD2-OG 3.25Å; S111-E113 PolarHBondContact O-N 3.3Å; S111-E113 VanDerWaalsContact O-N 3.15Å; S111-N114 PolarHBondContact N-O 3Å; S111-N114 WeakPolarHBondContact O-CB 3.44Å; S111-N114 PolarHBondContact O-N 3.01Å
112	G	79.4	Confident	89	Confident	74 Å²	74	51.3 Å²	51.3	76%	0.763	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	-115.7	-168.4	0	0	0	0	0	112.6
113	E	74.1	Confident	89.1	Confident	126 Å²	126	46.8 Å²	46.8	59%	0.589	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-9.4	177	-73.3	161.3	-135.3	0	0	113.4	S111 K327	S111-E113 PolarHBondContact O-N 3.3Å; S111-E113 VanDerWaalsContact O-N 3.15Å; E113-K327 IonicContact OE1-NZ 3.65Å; E113-K327 PolarHBondContact OE1-NZ 2.92Å
114	N	77.2	Confident	88.8	Confident	56 Å²	56	47.2 Å²	47.2	30%	0.299	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	139.3	-172.8	-60.7	-45.4	0	0	0	112.3	G59 Q110 S111	G59-N114 PolarHBondContact O-ND2 3.32Å; Q110-N114 WeakPolarHBondContact CA-O 3.26Å; S111-N114 PolarHBondContact N-O 3Å; S111-N114 WeakPolarHBondContact O-CB 3.44Å; S111-N114 PolarHBondContact O-N 3.01Å
115	S	88.9	Confident	88.2	Confident	60 Å²	60	49.7 Å²	49.7	42%	0.42	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	107.9	174.2	-160.5	0	0	0	0	110.3	Q110	Q110-S115 PolarHBondContact NE2-OG 3.47Å; Q110-S115 PolarHBondContact OE1-OG 3.4Å
116	V	90.8	Very high	87.2	Confident	13 Å²	13	50.4 Å²	50.4	8%	0.079	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	143.1	-171.5	-54.8	0	0	0	0	111.2	N58 V60 K108 L109 L118	N58-V116 VanDerWaalsContact ND2-CG1 3.28Å; N58-V116 WeakPolarHBondContact ND2-CG1 3.18Å; V60-V116 HydrophobicContact CG2-CB 4.46Å; V60-V116 HydrophobicContact CG2-CG1 4.15Å; V60-V116 HydrophobicContact CG2-CG2 3.63Å; K108-V116 CarbonylContact C-O 3.48Å; K108-V116 VanDerWaalsContact CA-O 3.25Å; K108-V116 WeakPolarHBondContact CA-O 3.4Å; L109-V116 HydrophobicContact CB-CG2 4.03Å; L109-V116 PolarHBondContact N-O 2.83Å; L109-V116 PolarHBondContact O-N 3.18Å; V116-L118 HydrophobicContact CG2-CD2 3.99Å
117	T	92.4	Very high	86	Confident	35 Å²	35	57.4 Å²	57.4	22%	0.215	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	113.2	174.9	-49.6	0	0	0	0	110.4	N53 G106 Q107 Y119	N53-T117 WeakPolarHBondContact CB-O 3.38Å; N53-T117 PolarHBondContact ND2-O 2.86Å; G106-T117 WeakPolarHBondContact O-CG2 3.43Å; Q107-T117 CarbonylContact O-C 3.54Å; Q107-T117 VanDerWaalsContact O-CA 3.29Å; Q107-T117 WeakPolarHBondContact O-CA 3.16Å; Q107-T117 WeakPolarHBondContact O-CG2 3.37Å; T117-Y119 HydrophobicContact CG2-CE1 4.24Å; T117-Y119 HydrophobicContact CG2-CE2 4.14Å; T117-Y119 WeakPolarHBondContact CG2-OH 3.36Å; T117-Y119 WeakPolarHBondContact O-CE2 3.33Å
118	L	94	Very high	84.4	Confident	2 Å²	2	57 Å²	57	1%	0.01	31%	0.308	C	S	.	.			trans	-74	143.4	-178.2	-55.4	-176.6	0	0	0	111.1	V51 L65 M69 G106 Q107 L109 V116 L120	V51-L118 HydrophobicContact CG1-CB 4.29Å; V51-L118 HydrophobicContact CG1-CD1 4.19Å; V51-L118 HydrophobicContact CG1-CD2 4.07Å; V51-L118 HydrophobicContact CG1-CG 4.42Å; L65-L118 HydrophobicContact CD1-CD1 4.25Å; M69-L118 HydrophobicContact CE-CD1 4.23Å; G106-L118 WeakPolarHBondContact CA-O 3.4Å; G106-L118 PolarHBondContact N-O 3.35Å; Q107-L118 PolarHBondContact O-N 2.94Å; L109-L118 HydrophobicContact CB-CD1 4.08Å; L109-L118 HydrophobicContact CB-CD2 4.24Å; L109-L118 HydrophobicContact CB-CG 4.07Å; L109-L118 HydrophobicContact CD2-CD1 4.28Å; L109-L118 HydrophobicContact CD2-CD2 4.34Å; V116-L118 HydrophobicContact CG2-CD2 3.99Å; L118-L120 HydrophobicContact CB-CD1 3.95Å
119	Y	93.8	Very high	82.3	Confident	17 Å²	17	58.6 Å²	58.6	7%	0.067	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	119.2	166.7	-61.1	-71.6	0	0	0	109.2	V22 K25 Q26 A52 N53 N105 T117	V22-Y119 HydrophobicContact CG1-CD1 4.45Å; V22-Y119 HydrophobicContact CG1-CE1 4.28Å; K25-Y119 HydrophobicContact CB-CD1 4.26Å; K25-Y119 HydrophobicContact CB-CE1 3.77Å; K25-Y119 HydrophobicContact CB-CE2 4.18Å; K25-Y119 HydrophobicContact CD-CE1 4.22Å; K25-Y119 HydrophobicContact CD-CE2 4.12Å; K25-Y119 WeakPolarHBondContact CD-OH 3.38Å; K25-Y119 PolarHBondContact NZ-OH 3.47Å; Q26-Y119 HydrophobicContact CB-CD1 4.36Å; A52-Y119 WeakPolarHBondContact CB-O 3.47Å; A52-Y119 PolarHBondContact N-O 3.5Å; A52-Y119 PolarHBondContact O-N 3.24Å; N53-Y119 WeakPolarHBondContact ND2-CD2 3.46Å; N105-Y119 WeakPolarHBondContact OD1-CA 3.46Å; T117-Y119 HydrophobicContact CG2-CE1 4.24Å; T117-Y119 HydrophobicContact CG2-CE2 4.14Å; T117-Y119 WeakPolarHBondContact CG2-OH 3.36Å; T117-Y119 WeakPolarHBondContact O-CE2 3.33Å
120	L	94.1	Very high	80	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	149.9	-173.7	-68	81.6	0	0	0	109.6	Q26 L49 V50 V51 M69 L104 N105 L118	Q26-L120 PolarHBondContact NE2-O 3.27Å; L49-L120 HydrophobicContact CD1-CD2 3.85Å; V50-L120 CarbonylContact O-C 3.59Å; V50-L120 WeakPolarHBondContact O-CA 3.22Å; V51-L120 HydrophobicContact CG1-CD1 4.44Å; V51-L120 HydrophobicContact CG1-CG 4.23Å; V51-L120 HydrophobicContact CG2-CD2 4.28Å; V51-L120 HydrophobicContact CG2-CG 4.2Å; M69-L120 HydrophobicContact CE-CD2 4.14Å; M69-L120 HydrophobicContact SD-CD2 4.41Å; L104-L120 HydrophobicContact CB-CD1 3.75Å; L104-L120 HydrophobicContact CB-CD2 4.24Å; N105-L120 HydrophobicContact CB-CB 4.45Å; N105-L120 HydrophobicContact CB-CD1 4.25Å; N105-L120 PolarHBondContact OD1-N 2.87Å; L118-L120 HydrophobicContact CB-CD1 3.95Å
121	S	93.9	Very high	78	Confident	8 Å²	8	66.3 Å²	66.3	6%	0.056	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	142.8	172.6	-65.4	0	0	0	0	110.1	S30 L49 V50	S30-S121 PolarHBondContact OG-OG 2.85Å; S30-S121 VanDerWaalsContact OG-OG 3.14Å; L49-S121 CarbonylContact C-O 3.55Å; L49-S121 WeakPolarHBondContact CA-O 3.39Å; V50-S121 PolarHBondContact N-O 3.1Å; V50-S121 PolarHBondContact O-N 3.44Å
122	Y	94.2	Very high	76	Confident	19 Å²	19	72 Å²	72	8%	0.075	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	146.6	173.8	-59.7	-64.3	0	0	0	111	T41 A42 Q44 P45 T46 L49 H101	T41-Y122 CarbonylContact C-O 3.56Å; T41-Y122 WeakPolarHBondContact CA-O 3.42Å; T41-Y122 WeakPolarHBondContact CB-O 3.32Å; A42-Y122 PolarHBondContact N-O 2.91Å; Q44-Y122 VanDerWaalsContact O-CB 3.31Å; Q44-Y122 WeakPolarHBondContact O-CB 3.37Å; Q44-Y122 WeakPolarHBondContact O-CD2 3.45Å; P45-Y122 HydrophobicContact CB-CD1 4.35Å; P45-Y122 HydrophobicContact CB-CE1 3.87Å; P45-Y122 HydrophobicContact CB-CE2 4.33Å; P45-Y122 HydrophobicContact CG-CE2 4.41Å; T46-Y122 VanDerWaalsContact N-CD1 3.26Å; T46-Y122 WeakPolarHBondContact OG1-CA 3.45Å; T46-Y122 VanDerWaalsContact OG1-CB 3.29Å; T46-Y122 WeakPolarHBondContact OG1-CB 3.14Å; L49-Y122 HydrophobicContact CD2-CD1 3.31Å; L49-Y122 HydrophobicContact CD2-CE1 3.58Å; L49-Y122 HydrophobicContact CD2-CG 4.21Å; H101-Y122 HydrophobicContact CB-CE1 3.98Å; H101-Y122 WeakPolarHBondContact CB-OH 3.5Å; H101-Y122 AromaticContact CD2-CE2 3.71Å; H101-Y122 AromaticContact CD2-CZ 3.78Å; H101-Y122 PolarHBondContact CE1-OH 2.98Å; H101-Y122 AromaticContact CG-CE2 3.79Å; H101-Y122 AromaticContact CG-CZ 3.48Å; H101-Y122 VanDerWaalsContact CG-CZ 3.48Å; H101-Y122 AromaticContact ND1-CE2 3.82Å; H101-Y122 AromaticContact ND1-CZ 3.74Å; H101-Y122 PolarHBondContact ND1-OH 3.07Å
123	V	90.9	Very high	74.6	Confident	2 Å²	2	76.3 Å²	76.3	1%	0.012	38%	0.378	C	S	.	.			trans	-143.6	136.1	175.2	-60.9	0	0	0	0	109.9	I39 T41 T46 N48 V50 F88 S125	I39-V123 HydrophobicContact CG2-CG1 4.14Å; T41-V123 HydrophobicContact CG2-CG1 4.35Å; T46-V123 PolarHBondContact OG1-N 3.2Å; T46-V123 VanDerWaalsContact OG1-N 3.11Å; T46-V123 PolarHBondContact OG1-O 2.89Å; N48-V123 HydrophobicContact CB-CG2 3.83Å; N48-V123 PolarHBondContact ND2-O 2.85Å; N48-V123 PolarHBondContact O-N 3.2Å; V50-V123 HydrophobicContact CB-CG1 3.97Å; V50-V123 HydrophobicContact CG1-CG1 3.7Å; F88-V123 HydrophobicContact CD1-CG2 4.37Å; V123-S125 VanDerWaalsContact C-N 3.28Å; V123-S125 PolarHBondContact O-N 2.6Å
124	D	85.1	Confident	73.8	Confident	114 Å²	114	74.5 Å²	74.5	61%	0.61	38%	0.375	S	S	*	.	S	Bend	trans	-66.1	-31.7	-173.8	-49.2	-70.8	0	0	0	112.6	N48	N48-D124 PolarHBondContact ND2-O 3.07Å
125	S	77.6	Confident	73.8	Confident	72 Å²	72	79.1 Å²	79.1	50%	0.503	40%	0.395	S	S	.	.			trans	-152	150.4	176.1	52.5	0	0	0	0	111.8	V123	V123-S125 VanDerWaalsContact C-N 3.28Å; V123-S125 PolarHBondContact O-N 2.6Å
126	V	68.9	Low	73.6	Confident	40 Å²	40	81.2 Å²	81.2	24%	0.242	40%	0.397	C	S	.	.			trans	-88.7	109.7	168	-178.1	0	0	0	0	108	N48 F79 F88 H128	N48-V126 HydrophobicContact CB-CG2 4.01Å; F79-V126 HydrophobicContact CD1-CG1 4.18Å; F88-V126 HydrophobicContact CB-CG1 3.79Å; F88-V126 HydrophobicContact CB-CG2 3.88Å; F88-V126 HydrophobicContact CD1-CG1 4.14Å; F88-V126 HydrophobicContact CD1-CG2 4.1Å; F88-V126 HydrophobicContact CD2-CG1 3.98Å; F88-V126 HydrophobicContact CG-CG1 3.73Å; F88-V126 HydrophobicContact CG-CG2 4.2Å; V126-H128 PolarHBondContact O-N 3.46Å
127	K	61.9	Low	73.6	Confident	168 Å²	168	80.9 Å²	80.9	73%	0.73	40%	0.395	S	S	*	.			trans	-77.7	87.8	174.3	-70.5	-174.4	179.6	178.3	0	110.1	K129	K127-K129 PolarHBondContact O-N 2.96Å
128	H	58.2	Low	73.6	Confident	101 Å²	101	86.4 Å²	86.4	47%	0.468	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-66.3	122.5	165.3	-163	-110.7	0	0	0	108.7	F79 V126	F79-H128 AromaticContact CD2-CD2 3.95Å; F79-H128 AromaticContact CE1-CD2 3.89Å; F79-H128 AromaticContact CE2-CD2 3.63Å; F79-H128 AromaticContact CE2-NE2 3.65Å; F79-H128 AromaticContact CZ-CD2 3.6Å; F79-H128 AromaticContact CZ-NE2 3.96Å; V126-H128 PolarHBondContact O-N 3.46Å
129	K	47.9	Very low	73.5	Confident	180 Å²	180	88.1 Å²	88.1	78%	0.783	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-88.9	123	152.4	-78.9	-169.2	175.3	-172.3	0	105.2	K127 E131	K127-K129 PolarHBondContact O-N 2.96Å; K129-E131 PolarHBondContact O-N 3.02Å
130	E	44.4	Very low	73.6	Confident	172 Å²	172	88.1 Å²	88.1	80%	0.804	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-62.6	120.8	168.9	-65.1	172.3	147.2	0	0	108
131	E	47	Very low	73.6	Confident	127 Å²	127	90.3 Å²	90.3	59%	0.593	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-75.4	133.7	172.8	-63.8	-165	162.5	0	0	108.5	P82 K129 R133	P82-E131 WeakPolarHBondContact CD-OE1 3.05Å; P82-E131 WeakPolarHBondContact CG-OE1 3.42Å; K129-E131 PolarHBondContact O-N 3.02Å; E131-R133 PolarHBondContact O-N 2.89Å
132	V	41.7	Very low	73.7	Confident	127 Å²	127	91.9 Å²	91.9	77%	0.77	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-65.2	130	-173.7	178.8	0	0	0	0	109.3	V134	V132-V134 VanDerWaalsContact O-CG2 3.24Å; V132-V134 WeakPolarHBondContact O-CG2 3.5Å; V132-V134 PolarHBondContact O-N 3.4Å
133	R	50.3	Low	73.7	Confident	164 Å²	164	93.1 Å²	93.1	62%	0.619	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-55.7	120.3	175.7	-64.2	-175.9	-177.1	-148.3	-0.4	109.8	E131 D318	E131-R133 PolarHBondContact O-N 2.89Å; R133-D318 IonicContact CZ-OD1 2.7Å; R133-D318 IonicContact CZ-OD2 3.16Å; R133-D318 IonicContact NH1-OD1 3.2Å; R133-D318 PolarHBondContact NH1-OD1 2.94Å; R133-D318 IonicContact NH1-OD2 3.34Å; R133-D318 IonicContact NH2-OD1 2.69Å; R133-D318 PolarHBondContact NH2-OD1 2.95Å; R133-D318 IonicContact NH2-OD2 3.35Å; R133-D318 PolarHBondContact NH2-OD2 3.16Å
134	V	56	Low	73.7	Confident	87 Å²	87	97.5 Å²	97.5	53%	0.527	49%	0.493	S	S	.	.			trans	-108.8	102.5	179.5	-167.8	0	0	0	0	109.4	V132 V270	V132-V134 VanDerWaalsContact O-CG2 3.24Å; V132-V134 WeakPolarHBondContact O-CG2 3.5Å; V132-V134 PolarHBondContact O-N 3.4Å; V134-V270 HydrophobicContact CG1-CB 4.16Å; V134-V270 HydrophobicContact CG1-CG1 3.96Å; V134-V270 HydrophobicContact CG1-CG2 3.57Å
135	H	76.7	Confident	74.1	Confident	153 Å²	153	96.6 Å²	96.6	71%	0.708	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-68.4	158.2	172.4	-61.5	-80.6	0	0	0	111.2
136	F	86.5	Confident	75	Confident	105 Å²	105	94 Å²	94	46%	0.461	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-62.2	149.9	172.9	-70.8	-8.7	0	0	0	111.6	L140 L142 V270 V272	F136-L140 HydrophobicContact CB-CB 4.43Å; F136-L140 HydrophobicContact CB-CD2 4.37Å; F136-L140 HydrophobicContact CG-CD2 4.42Å; F136-L142 HydrophobicContact CE2-CB 4.14Å; F136-V270 HydrophobicContact CD1-CG1 4.36Å; F136-V272 HydrophobicContact CD1-CG2 4.16Å; F136-V272 HydrophobicContact CE1-CG1 4.16Å; F136-V272 HydrophobicContact CE1-CG2 4.1Å; F136-V272 HydrophobicContact CZ-CG1 4.13Å
137	P	89.6	Confident	76.4	Confident	6 Å²	6	92.2 Å²	92.2	4%	0.039	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-49.6	145.6	168.9	-30.5	38	0	0	0	113.6	G139 L140 F262 V270 W290	P137-G139 PolarHBondContact O-N 2.68Å; P137-L140 HydrophobicContact CB-CB 4.19Å; P137-L140 HydrophobicContact CG-CD2 4.27Å; P137-L140 VanDerWaalsContact O-CB 3.28Å; P137-L140 WeakPolarHBondContact O-CB 3.28Å; P137-L140 PolarHBondContact O-N 2.81Å; P137-F262 HydrophobicContact CG-CB 3.99Å; P137-F262 HydrophobicContact CG-CD1 4.27Å; P137-F262 HydrophobicContact CG-CG 4.19Å; P137-V270 HydrophobicContact CG-CG2 4.17Å; P137-W290 HydrophobicContact CB-CD2 3.79Å; P137-W290 HydrophobicContact CB-CE3 4.46Å; P137-W290 HydrophobicContact CB-CG 3.96Å; P137-W290 HydrophobicContact CB-CZ2 4.06Å; P137-W290 HydrophobicContact CG-CD2 3.62Å; P137-W290 HydrophobicContact CG-CE3 3.78Å; P137-W290 HydrophobicContact CG-CG 4.14Å; P137-W290 HydrophobicContact CG-CH2 4.14Å; P137-W290 HydrophobicContact CG-CZ2 3.99Å; P137-W290 HydrophobicContact CG-CZ3 4.07Å
138	E	92.1	Very high	78	Confident	151 Å²	151	86.1 Å²	86.1	71%	0.706	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	128.9	-180	-168.2	178.2	133.9	0	0	111.3	L140 E285 S286	E138-L140 VanDerWaalsContact C-N 3.34Å; E138-E285 HydrophobicContact CB-CB 4.23Å; E138-S286 WeakPolarHBondContact O-CB 3.09Å; E138-S286 PolarHBondContact O-N 2.92Å
139	G	92.5	Very high	79.9	Confident	37 Å²	37	84.9 Å²	84.9	38%	0.381	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	4	-174.4	0	0	0	0	0	115.2	P137 K283 S286	P137-G139 PolarHBondContact O-N 2.68Å; G139-K283 CarbonylContact C-O 3.27Å; G139-K283 WeakPolarHBondContact CA-O 3.15Å; G139-K283 PolarHBondContact O-N 3.45Å; G139-S286 PolarHBondContact O-OG 2.85Å
140	L	96.2	Very high	82.2	Confident	17 Å²	17	82.3 Å²	82.3	9%	0.089	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	130.5	169.1	-164.9	73.5	0	0	0	110.7	F136 P137 E138 F262 V272 L280 V281 M282 S286	F136-L140 HydrophobicContact CB-CB 4.43Å; F136-L140 HydrophobicContact CB-CD2 4.37Å; F136-L140 HydrophobicContact CG-CD2 4.42Å; P137-L140 HydrophobicContact CB-CB 4.19Å; P137-L140 HydrophobicContact CG-CD2 4.27Å; P137-L140 VanDerWaalsContact O-CB 3.28Å; P137-L140 WeakPolarHBondContact O-CB 3.28Å; P137-L140 PolarHBondContact O-N 2.81Å; E138-L140 VanDerWaalsContact C-N 3.34Å; L140-F262 HydrophobicContact CD1-CE1 3.81Å; L140-F262 HydrophobicContact CD1-CE2 4.18Å; L140-F262 HydrophobicContact CD1-CZ 3.51Å; L140-F262 HydrophobicContact CD2-CD2 4.09Å; L140-F262 HydrophobicContact CD2-CE1 4.32Å; L140-F262 HydrophobicContact CD2-CE2 3.8Å; L140-F262 HydrophobicContact CD2-CG 4.48Å; L140-F262 HydrophobicContact CD2-CZ 3.93Å; L140-F262 HydrophobicContact CG-CZ 4.42Å; L140-V272 HydrophobicContact CD2-CG2 3.95Å; L140-L280 HydrophobicContact CD1-CD1 3.86Å; L140-L280 HydrophobicContact CD1-CG 4.18Å; L140-L280 HydrophobicContact CD2-CD1 4.34Å; L140-L280 HydrophobicContact CG-CD1 4.11Å; L140-V281 WeakPolarHBondContact CA-O 3.47Å; L140-M282 HydrophobicContact CD1-CB 4.42Å; L140-M282 HydrophobicContact CD1-CG 3.37Å; L140-S286 PolarHBondContact N-OG 3.22Å
141	A	94.6	Very high	84.6	Confident	46 Å²	46	76.1 Å²	76.1	38%	0.38	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	148.7	169.3	0	0	0	0	0	111	V281	A141-V281 HydrophobicContact CB-CB 4.36Å; A141-V281 PolarHBondContact N-O 3.24Å; A141-V281 PolarHBondContact O-N 3.02Å
142	L	95.2	Very high	87.1	Confident	41 Å²	41	70.9 Å²	70.9	22%	0.215	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	128.8	175.7	178.2	67	0	0	0	108.5	F136 V272 V273 L274 L280	F136-L142 HydrophobicContact CE2-CB 4.14Å; L142-V272 HydrophobicContact CD2-CG1 4.44Å; L142-V273 VanDerWaalsContact CD2-O 3.24Å; L142-V273 WeakPolarHBondContact CD2-O 3.32Å; L142-L274 HydrophobicContact CD1-CD2 3.9Å; L142-L280 HydrophobicContact CB-CD1 4.34Å; L142-L280 HydrophobicContact CD1-CB 4.41Å; L142-L280 HydrophobicContact CD1-CD1 4.15Å
143	V	94.7	Very high	89.6	Confident	45 Å²	45	67.6 Å²	67.6	27%	0.273	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	111.9	174.9	-170.3	0	0	0	0	107.9	F146 S278 L279	V143-F146 HydrophobicContact CB-CB 4.4Å; V143-F146 HydrophobicContact CB-CD2 4.37Å; V143-F146 HydrophobicContact CG1-CB 4.18Å; V143-F146 HydrophobicContact CG1-CD2 3.92Å; V143-F146 HydrophobicContact CG1-CG 4.49Å; V143-S278 CarbonylContact O-C 3.58Å; V143-S278 WeakPolarHBondContact O-CA 3.34Å; V143-S278 WeakPolarHBondContact O-CB 3.39Å; V143-L279 HydrophobicContact CB-CB 4.42Å; V143-L279 PolarHBondContact N-O 2.68Å; V143-L279 PolarHBondContact O-N 3.23Å
144	E	91.4	Very high	91.8	Very high	95 Å²	95	65.2 Å²	65.2	44%	0.444	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	152.4	173.6	-55.9	-160.2	140.4	0	0	110.7	F146 P275 R308	E144-F146 PolarHBondContact O-N 3.05Å; E144-P275 HydrophobicContact CG-CG 4.23Å; E144-P275 WeakPolarHBondContact OE1-CG 3.37Å; E144-R308 IonicContact OE2-CZ 3.47Å; E144-R308 IonicContact OE2-NH2 3.53Å; E144-R308 PolarHBondContact OE2-NH2 2.61Å
145	D	92.9	Very high	93.8	Very high	95 Å²	95	61.1 Å²	61.1	51%	0.508	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.1	37.1	175.7	-64.4	-57.2	0	0	0	115.4	V147 R277	D145-V147 VanDerWaalsContact C-N 3.29Å; D145-V147 PolarHBondContact O-N 2.78Å; D145-R277 IonicContact OD1-NE 3.28Å; D145-R277 PolarHBondContact OD1-NE 2.73Å; D145-R277 IonicContact OD1-NH2 2.71Å
146	F	96.9	Very high	94.7	Very high	17 Å²	17	56.5 Å²	56.5	8%	0.075	31%	0.314	C	S	.	.			trans	-69.7	-21.7	-176.2	-177.5	-103.8	0	0	0	114.3	V143 E144 V207 R210 C211 L252 R277 L279	V143-F146 HydrophobicContact CB-CB 4.4Å; V143-F146 HydrophobicContact CB-CD2 4.37Å; V143-F146 HydrophobicContact CG1-CB 4.18Å; V143-F146 HydrophobicContact CG1-CD2 3.92Å; V143-F146 HydrophobicContact CG1-CG 4.49Å; E144-F146 PolarHBondContact O-N 3.05Å; F146-V207 HydrophobicContact CD1-CG1 4.32Å; F146-V207 HydrophobicContact CE1-CG1 3.75Å; F146-R210 HydrophobicContact CE1-CG 4.46Å; F146-R210 HydrophobicContact CE2-CG 3.87Å; F146-R210 HydrophobicContact CZ-CB 4.09Å; F146-R210 HydrophobicContact CZ-CG 3.6Å; F146-R210 PolarHBondContact O-NH1 2.78Å; F146-C211 VanDerWaalsContact CE1-SG 3.57Å; F146-C211 WeakPolarHBondContact CZ-SG 3.37Å; F146-L252 HydrophobicContact CD1-CD1 4.32Å; F146-R277 PolarHBondContact N-O 3.45Å; F146-L279 HydrophobicContact CB-CB 3.86Å; F146-L279 HydrophobicContact CD1-CB 3.68Å; F146-L279 HydrophobicContact CD1-CD1 4.33Å; F146-L279 HydrophobicContact CD1-CD2 3.94Å; F146-L279 HydrophobicContact CD1-CG 4.2Å; F146-L279 HydrophobicContact CD2-CB 4.42Å; F146-L279 HydrophobicContact CD2-CD2 4.31Å; F146-L279 HydrophobicContact CE1-CB 4.35Å; F146-L279 HydrophobicContact CE1-CD1 4.39Å; F146-L279 HydrophobicContact CE1-CD2 3.75Å; F146-L279 HydrophobicContact CE1-CG 4.39Å; F146-L279 HydrophobicContact CE2-CD2 4.14Å; F146-L279 HydrophobicContact CG-CB 3.71Å; F146-L279 HydrophobicContact CG-CD2 4.21Å; F146-L279 HydrophobicContact CZ-CD2 3.86Å
147	V	97.1	Very high	95	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.018	32%	0.324	C	S	.	.	S	Bend	trans	-126.2	150.1	172.3	-60.7	0	0	0	0	110.4	D145 E151 V207 L252 L254 R277	D145-V147 VanDerWaalsContact C-N 3.29Å; D145-V147 PolarHBondContact O-N 2.78Å; V147-E151 VanDerWaalsContact CA-OE2 3.22Å; V147-E151 WeakPolarHBondContact CA-OE2 3.41Å; V147-E151 HydrophobicContact CB-CB 3.95Å; V147-E151 WeakPolarHBondContact CB-OE2 3.49Å; V147-V207 HydrophobicContact CG1-CG1 3.97Å; V147-V207 HydrophobicContact CG1-CG2 4Å; V147-L252 HydrophobicContact CG1-CD1 4Å; V147-L252 HydrophobicContact CG1-CD2 4.23Å; V147-L252 HydrophobicContact CG2-CD1 4.16Å; V147-L254 HydrophobicContact CG2-CD2 3.92Å; V147-R277 HydrophobicContact CG2-CB 3.93Å; V147-R277 HydrophobicContact CG2-CG 3.99Å; V147-R277 PolarHBondContact N-O 3.33Å; V147-R277 WeakPolarHBondContact O-CB 3.42Å; V147-R277 VanDerWaalsContact O-CD 3.29Å; V147-R277 WeakPolarHBondContact O-CD 3.39Å; V147-R277 WeakPolarHBondContact O-CG 3.46Å
148	S	96.9	Very high	95.1	Very high	39 Å²	39	56.1 Å²	56.1	27%	0.273	33%	0.33	S	S	.	.			trans	-74.2	165	177.6	91.4	0	0	0	0	112.4	E150 E151 E152	S148-E150 WeakPolarHBondContact CB-OE2 3.45Å; S148-E150 PolarHBondContact O-N 2.81Å; S148-E150 PolarHBondContact OG-N 3.15Å; S148-E150 PolarHBondContact OG-OE2 2.63Å; S148-E151 PolarHBondContact N-OE2 2.79Å; S148-E151 PolarHBondContact O-N 2.8Å; S148-E151 PolarHBondContact OG-N 3.11Å; S148-E152 WeakPolarHBondContact O-CB 3.39Å; S148-E152 PolarHBondContact O-N 3.06Å
149	P	96.8	Very high	95	Very high	75 Å²	75	49.3 Å²	49.3	49%	0.487	30%	0.299	S	S	.	.	H	α-helix	trans	-58.5	-31.4	171.8	-24.8	35.9	0	0	0	113.6	A153	P149-A153 WeakPolarHBondContact O-CB 3.31Å; P149-A153 PolarHBondContact O-N 2.88Å
150	E	96.4	Very high	94.6	Very high	126 Å²	126	50.7 Å²	50.7	59%	0.589	30%	0.298	S	S	*	.	H	α-helix	trans	-71.8	-42.7	175.5	-55.8	72.1	-155.9	0	0	111.3	S148 A153 L154	S148-E150 WeakPolarHBondContact CB-OE2 3.45Å; S148-E150 PolarHBondContact O-N 2.81Å; S148-E150 PolarHBondContact OG-N 3.15Å; S148-E150 PolarHBondContact OG-OE2 2.63Å; E150-A153 PolarHBondContact O-N 3.39Å; E150-L154 WeakPolarHBondContact O-CG 3.33Å; E150-L154 PolarHBondContact O-N 3.08Å
151	E	96.3	Very high	94	Very high	42 Å²	42	52.4 Å²	52.4	20%	0.196	30%	0.303	C	S	.	.	H	α-helix	trans	-63.6	-42.2	173.1	-67	-177	135.6	0	0	111.4	V147 S148 A153 L154 L155 R210	V147-E151 VanDerWaalsContact CA-OE2 3.22Å; V147-E151 WeakPolarHBondContact CA-OE2 3.41Å; V147-E151 HydrophobicContact CB-CB 3.95Å; V147-E151 WeakPolarHBondContact CB-OE2 3.49Å; S148-E151 PolarHBondContact N-OE2 2.79Å; S148-E151 PolarHBondContact O-N 2.8Å; S148-E151 PolarHBondContact OG-N 3.11Å; E151-A153 PolarHBondContact O-N 3.01Å; E151-L154 PolarHBondContact O-N 2.83Å; E151-L155 WeakPolarHBondContact O-CB 3.47Å; E151-L155 WeakPolarHBondContact O-CD1 3.38Å; E151-L155 WeakPolarHBondContact O-CG 3.17Å; E151-L155 PolarHBondContact O-N 2.92Å; E151-R210 IonicContact OE1-CZ 2.69Å; E151-R210 IonicContact OE1-NH1 3.16Å; E151-R210 PolarHBondContact OE1-NH1 2.54Å; E151-R210 IonicContact OE1-NH2 2.64Å; E151-R210 PolarHBondContact OE1-NH2 2.99Å; E151-R210 IonicContact OE2-CZ 2.82Å; E151-R210 IonicContact OE2-NH1 3.2Å; E151-R210 PolarHBondContact OE2-NH1 3.21Å; E151-R210 IonicContact OE2-NH2 2.73Å; E151-R210 PolarHBondContact OE2-NH2 3.05Å
152	E	97.6	Very high	92.9	Very high	17 Å²	17	55.1 Å²	55.1	8%	0.079	32%	0.32	C	S	.	.	H	α-helix	trans	-57.6	-45	172.8	169.3	162.3	-119.2	0	0	111.8	S148 L156 L254 G255 R277	S148-E152 WeakPolarHBondContact O-CB 3.39Å; S148-E152 PolarHBondContact O-N 3.06Å; E152-L156 HydrophobicContact CG-CD1 3.9Å; E152-L156 WeakPolarHBondContact O-CB 3.26Å; E152-L156 WeakPolarHBondContact O-CD1 3.31Å; E152-L156 WeakPolarHBondContact O-CG 3.23Å; E152-L156 PolarHBondContact O-N 2.92Å; E152-L254 HydrophobicContact CB-CD2 4.06Å; E152-L254 HydrophobicContact CG-CB 4.33Å; E152-L254 HydrophobicContact CG-CD2 3.96Å; E152-L254 VanDerWaalsContact OE1-CA 3.24Å; E152-L254 WeakPolarHBondContact OE1-CA 3.22Å; E152-G255 PolarHBondContact OE1-N 3.34Å; E152-R277 HydrophobicContact CB-CG 4.08Å; E152-R277 HydrophobicContact CG-CG 4.41Å; E152-R277 WeakPolarHBondContact OE2-CD 3.12Å; E152-R277 WeakPolarHBondContact OE2-CG 3.24Å; E152-R277 IonicContact OE2-CZ 2.76Å; E152-R277 IonicContact OE2-NH1 3.43Å; E152-R277 PolarHBondContact OE2-NH1 3.29Å
153	A	96.1	Very high	91.4	Very high	58 Å²	58	55.9 Å²	55.9	48%	0.479	33%	0.326	S	S	.	.	H	α-helix	trans	-64.8	-42.4	176.8	0	0	0	0	0	112.8	P149 E150 E151 A157	P149-A153 WeakPolarHBondContact O-CB 3.31Å; P149-A153 PolarHBondContact O-N 2.88Å; E150-A153 PolarHBondContact O-N 3.39Å; E151-A153 PolarHBondContact O-N 3.01Å; A153-A157 WeakPolarHBondContact O-CB 3.38Å; A153-A157 PolarHBondContact O-N 2.87Å
154	L	96.4	Very high	89.4	Confident	114 Å²	114	57.7 Å²	57.7	60%	0.597	34%	0.341	S	S	*	.	H	α-helix	trans	-63.5	-48	177	-72.7	168.5	0	0	0	111.7	E150 E151 L156 A157 A158	E150-L154 WeakPolarHBondContact O-CG 3.33Å; E150-L154 PolarHBondContact O-N 3.08Å; E151-L154 PolarHBondContact O-N 2.83Å; L154-L156 PolarHBondContact O-N 2.95Å; L154-A157 PolarHBondContact O-N 2.9Å; L154-A158 PolarHBondContact O-N 2.85Å
155	L	96.5	Very high	87.7	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-61.2	-44	177.8	-69.4	165.2	0	0	0	111.6	E151 A157 A158 E203 V207 L252 L254 F334	E151-L155 WeakPolarHBondContact O-CB 3.47Å; E151-L155 WeakPolarHBondContact O-CD1 3.38Å; E151-L155 WeakPolarHBondContact O-CG 3.17Å; E151-L155 PolarHBondContact O-N 2.92Å; L155-A157 VanDerWaalsContact C-N 3.29Å; L155-A157 PolarHBondContact O-N 3.32Å; L155-A158 PolarHBondContact O-N 3.39Å; L155-E203 WeakPolarHBondContact CD2-O 3.49Å; L155-V207 HydrophobicContact CD1-CG2 4.18Å; L155-L252 HydrophobicContact CD1-CD2 3.68Å; L155-L254 HydrophobicContact CB-CD1 3.8Å; L155-L254 HydrophobicContact CD1-CD1 4.11Å; L155-F334 HydrophobicContact CB-CZ 4.23Å; L155-F334 HydrophobicContact CD2-CE2 4.42Å; L155-F334 VanDerWaalsContact O-CZ 3.31Å; L155-F334 WeakPolarHBondContact O-CZ 3.13Å
156	L	95.4	Very high	85.7	Confident	55 Å²	55	58 Å²	58	29%	0.288	34%	0.341	S	S	.	.	H	α-helix	trans	-63.9	-33.1	176.9	-72.4	170.6	0	0	0	112.6	E152 L154 L254 T332	E152-L156 HydrophobicContact CG-CD1 3.9Å; E152-L156 WeakPolarHBondContact O-CB 3.26Å; E152-L156 WeakPolarHBondContact O-CD1 3.31Å; E152-L156 WeakPolarHBondContact O-CG 3.23Å; E152-L156 PolarHBondContact O-N 2.92Å; L154-L156 PolarHBondContact O-N 2.95Å; L156-L254 HydrophobicContact CD1-CB 4.46Å; L156-L254 HydrophobicContact CD2-CB 4.02Å; L156-L254 HydrophobicContact CD2-CD1 4.34Å; L156-L254 HydrophobicContact CG-CB 4.28Å; L156-L254 HydrophobicContact CG-CD1 4.26Å; L156-T332 HydrophobicContact CD2-CG2 4.14Å
157	A	93.6	Very high	83.5	Confident	81 Å²	81	57.4 Å²	57.4	67%	0.669	34%	0.339	S	S	*	.	H	α-helix	trans	-75.6	-30.9	177.3	0	0	0	0	0	113.6	A153 L154 L155 V159	A153-A157 WeakPolarHBondContact O-CB 3.38Å; A153-A157 PolarHBondContact O-N 2.87Å; L154-A157 PolarHBondContact O-N 2.9Å; L155-A157 VanDerWaalsContact C-N 3.29Å; L155-A157 PolarHBondContact O-N 3.32Å; A157-V159 PolarHBondContact O-N 3.4Å
158	A	91.4	Very high	81.5	Confident	22 Å²	22	60.5 Å²	60.5	18%	0.182	35%	0.353	C	S	.	.	H	α-helix	trans	-66.6	-15.2	178.2	0	0	0	0	0	114	L154 L155 D160 E203	L154-A158 PolarHBondContact O-N 2.85Å; L155-A158 PolarHBondContact O-N 3.39Å; A158-D160 PolarHBondContact O-N 3.29Å; A158-D160 VanDerWaalsContact O-N 3.11Å; A158-E203 HydrophobicContact CB-CB 4.09Å; A158-E203 HydrophobicContact CB-CG 3.89Å
159	V	90.7	Very high	79.3	Confident	8 Å²	8	65.4 Å²	65.4	5%	0.048	37%	0.369	C	S	.	.			trans	-82.7	88.6	177.8	-163.8	0	0	0	0	110.5	A157 W161 V226 F334	A157-V159 PolarHBondContact O-N 3.4Å; V159-W161 HydrophobicContact CB-CZ2 4.48Å; V159-W161 HydrophobicContact CG1-CD2 3.89Å; V159-W161 VanDerWaalsContact CG1-CE2 3.43Å; V159-W161 HydrophobicContact CG1-CE3 4.37Å; V159-W161 HydrophobicContact CG1-CG 4.35Å; V159-W161 HydrophobicContact CG1-CH2 4.16Å; V159-W161 HydrophobicContact CG1-CZ2 3.61Å; V159-W161 HydrophobicContact CG1-CZ3 4.5Å; V159-W161 PolarHBondContact O-N 3.37Å; V159-W161 VanDerWaalsContact O-N 3.07Å; V159-V226 HydrophobicContact CG1-CG1 4.04Å; V159-V226 HydrophobicContact CG2-CG1 4.03Å; V159-V226 HydrophobicContact CG2-CG2 4.47Å; V159-F334 HydrophobicContact CG2-CE1 3.89Å; V159-F334 HydrophobicContact CG2-CE2 4.33Å; V159-F334 HydrophobicContact CG2-CZ 3.38Å
160	D	83.3	Confident	77	Confident	67 Å²	67	64.7 Å²	64.7	36%	0.358	37%	0.37	S	S	.	.			trans	-58.9	115.9	166.2	165.4	43.3	0	0	0	110.2	A158 S162 T163 K177	A158-D160 PolarHBondContact O-N 3.29Å; A158-D160 VanDerWaalsContact O-N 3.11Å; D160-S162 VanDerWaalsContact OD1-CB 3.27Å; D160-S162 WeakPolarHBondContact OD1-CB 3.19Å; D160-S162 PolarHBondContact OD1-N 3.41Å; D160-S162 PolarHBondContact OD1-OG 3.04Å; D160-T163 WeakPolarHBondContact OD2-CG2 3.34Å; D160-K177 VanDerWaalsContact O-CD 3.28Å; D160-K177 WeakPolarHBondContact O-CD 3.27Å; D160-K177 PolarHBondContact O-NZ 3.11Å; D160-K177 IonicContact OD2-NZ 2.81Å; D160-K177 PolarHBondContact OD2-NZ 2.86Å
161	W	84.1	Confident	75.3	Confident	53 Å²	53	60.8 Å²	60.8	20%	0.201	35%	0.353	C	S	.	.			trans	-102.4	9	-178.8	-79.4	118.6	0	0	0	113.4	V159 R175 K177 V226 Q228	V159-W161 HydrophobicContact CB-CZ2 4.48Å; V159-W161 HydrophobicContact CG1-CD2 3.89Å; V159-W161 VanDerWaalsContact CG1-CE2 3.43Å; V159-W161 HydrophobicContact CG1-CE3 4.37Å; V159-W161 HydrophobicContact CG1-CG 4.35Å; V159-W161 HydrophobicContact CG1-CH2 4.16Å; V159-W161 HydrophobicContact CG1-CZ2 3.61Å; V159-W161 HydrophobicContact CG1-CZ3 4.5Å; V159-W161 PolarHBondContact O-N 3.37Å; V159-W161 VanDerWaalsContact O-N 3.07Å; W161-R175 HydrophobicContact CE3-CB 4.27Å; W161-R175 HydrophobicContact CH2-CB 3.76Å; W161-R175 HydrophobicContact CZ3-CB 3.56Å; W161-R175 PolarHBondContact O-NH2 3.24Å; W161-K177 HydrophobicContact CZ3-CB 4.25Å; W161-V226 HydrophobicContact CH2-CG1 4.27Å; W161-V226 HydrophobicContact CZ2-CG1 4.16Å; W161-Q228 HydrophobicContact CH2-CB 3.84Å; W161-Q228 HydrophobicContact CZ2-CB 3.6Å; W161-Q228 HydrophobicContact CZ2-CG 4.39Å
162	S	70.5	Confident	73.4	Confident	103 Å²	103	67.5 Å²	67.5	72%	0.72	38%	0.381	S	S	*	.			trans	-89.6	-28.2	-177.2	72.1	0	0	0	0	114	D160 S164	D160-S162 VanDerWaalsContact OD1-CB 3.27Å; D160-S162 WeakPolarHBondContact OD1-CB 3.19Å; D160-S162 PolarHBondContact OD1-N 3.41Å; D160-S162 PolarHBondContact OD1-OG 3.04Å; S162-S164 PolarHBondContact O-N 3.12Å
163	T	63.9	Low	71.9	Confident	57 Å²	57	73.2 Å²	73.2	35%	0.35	41%	0.407	S	S	.	.	S	Bend	trans	-70.7	127.7	176.8	63.2	0	0	0	0	112.1	D160 D165 K177	D160-T163 WeakPolarHBondContact OD2-CG2 3.34Å; T163-D165 WeakPolarHBondContact CB-OD1 3.34Å; T163-D165 PolarHBondContact O-N 3.08Å; T163-D165 VanDerWaalsContact O-N 3.16Å; T163-D165 PolarHBondContact OG1-OD1 2.97Å; T163-K177 PolarHBondContact OG1-NZ 3.09Å
164	S	53	Low	71.1	Confident	83 Å²	83	72.1 Å²	72.1	58%	0.58	39%	0.391	S	S	*	.			trans	-88.9	74	176.4	-171.4	0	0	0	0	111.2	S162	S162-S164 PolarHBondContact O-N 3.12Å
165	D	55.8	Low	70.8	Confident	46 Å²	46	70.1 Å²	70.1	25%	0.246	38%	0.375	C	S	.	.			trans	-62	155.7	178.6	-55.5	-16.6	0	0	0	111.4	T163 A167 Q168 K177	T163-D165 WeakPolarHBondContact CB-OD1 3.34Å; T163-D165 PolarHBondContact O-N 3.08Å; T163-D165 VanDerWaalsContact O-N 3.16Å; T163-D165 PolarHBondContact OG1-OD1 2.97Å; D165-A167 VanDerWaalsContact C-N 3.29Å; D165-A167 PolarHBondContact O-N 3.24Å; D165-Q168 PolarHBondContact O-N 3.38Å; D165-Q168 VanDerWaalsContact O-N 3.13Å; D165-K177 WeakPolarHBondContact OD2-CG 3.1Å
166	Q	50.6	Low	70.4	Confident	151 Å²	151	70.1 Å²	70.1	71%	0.706	38%	0.375	S	S	*	.	H	α-helix	trans	-62.7	-38.5	-178.7	-58.1	-163.2	33.4	0	0	111.5	Q168 K169 A170	Q166-Q168 VanDerWaalsContact C-N 3.27Å; Q166-Q168 PolarHBondContact O-N 3.31Å; Q166-K169 WeakPolarHBondContact O-CB 3.12Å; Q166-K169 PolarHBondContact O-N 2.62Å; Q166-A170 PolarHBondContact O-N 3.05Å
167	A	51.8	Low	70.2	Confident	4 Å²	4	68.5 Å²	68.5	3%	0.033	37%	0.366	C	S	.	.	H	α-helix	trans	-48.4	-41	170.8	0	0	0	0	0	114.3	D165 K169 A170 L171 Y185	D165-A167 VanDerWaalsContact C-N 3.29Å; D165-A167 PolarHBondContact O-N 3.24Å; A167-K169 PolarHBondContact O-N 3.3Å; A167-A170 PolarHBondContact O-N 3.15Å; A167-L171 PolarHBondContact O-N 2.68Å; A167-Y185 HydrophobicContact CB-CE2 4.05Å
168	Q	54.9	Low	70.1	Confident	67 Å²	67	65.2 Å²	65.2	31%	0.313	34%	0.337	S	S	.	.	H	α-helix	trans	-73.2	-14.5	-179.3	-164.4	174.9	-32.7	0	0	112.7	D165 Q166	D165-Q168 PolarHBondContact O-N 3.38Å; D165-Q168 VanDerWaalsContact O-N 3.13Å; Q166-Q168 VanDerWaalsContact C-N 3.27Å; Q166-Q168 PolarHBondContact O-N 3.31Å
169	K	49.6	Very low	70.1	Confident	143 Å²	143	65.2 Å²	65.2	62%	0.622	33%	0.332	S	S	*	.	H	α-helix	trans	-84.5	-26	173.9	-63.2	170.3	-174.4	162.8	0	112.6	Q166 A167	Q166-K169 WeakPolarHBondContact O-CB 3.12Å; Q166-K169 PolarHBondContact O-N 2.62Å; A167-K169 PolarHBondContact O-N 3.3Å
170	A	49.2	Very low	70.1	Confident	60 Å²	60	65.1 Å²	65.1	50%	0.496	33%	0.333	S	S	.	.	H	α-helix	trans	-76.8	-40.2	177.4	0	0	0	0	0	112.8	Q166 A167 Y185	Q166-A170 PolarHBondContact O-N 3.05Å; A167-A170 PolarHBondContact O-N 3.15Å; A170-Y185 HydrophobicContact CB-CD2 4.42Å
171	L	60.1	Low	70.5	Confident	44 Å²	44	62.9 Å²	62.9	23%	0.23	32%	0.32	C	S	.	.			trans	-101.9	106.9	-170	-66	177.7	0	0	0	113.5	A167 H173 V176 Y185	A167-L171 PolarHBondContact O-N 2.68Å; L171-H173 PolarHBondContact O-N 3.06Å; L171-V176 HydrophobicContact CD1-CB 4.25Å; L171-V176 HydrophobicContact CD1-CG2 3.51Å; L171-Y185 HydrophobicContact CD1-CD2 4.49Å; L171-Y185 HydrophobicContact CD1-CE1 3.98Å; L171-Y185 HydrophobicContact CD1-CE2 3.82Å; L171-Y185 HydrophobicContact CG-CE2 4.31Å
172	K	55.9	Low	70.5	Confident	183 Å²	183	63.4 Å²	63.4	80%	0.796	33%	0.325	S	S	*	.	S	Bend	trans	-84.7	1.1	-175.4	-61.9	180	-178.2	173.2	0	116
173	H	66.9	Low	70.9	Confident	136 Å²	136	59.8 Å²	59.8	63%	0.63	30%	0.296	S	S	*	.	S	Bend	trans	-132.9	-0.4	-163.7	-65.5	-48.5	0	0	0	116.2	L171 Q233	L171-H173 PolarHBondContact O-N 3.06Å; H173-Q233 WeakPolarHBondContact O-CB 3.37Å; H173-Q233 VanDerWaalsContact O-CG 3.3Å; H173-Q233 WeakPolarHBondContact O-CG 3.49Å; H173-Q233 PolarHBondContact O-OE1 3.44Å
174	R	80.1	Confident	71.4	Confident	36 Å²	36	58.9 Å²	58.9	14%	0.136	29%	0.292	C	S	.	.	S	Bend	trans	-161.5	160.7	170.8	69.8	-178.3	-167.6	-82.5	-1.3	108.4	V176 N227 Y229	R174-V176 HydrophobicContact CG-CG2 3.81Å; R174-N227 PolarHBondContact NE-OD1 3.23Å; R174-N227 PolarHBondContact NH2-OD1 3.21Å; R174-Y229 HydrophobicContact CB-CD1 4.08Å; R174-Y229 HydrophobicContact CB-CE1 4.28Å; R174-Y229 HydrophobicContact CG-CE1 4.44Å
175	R	88.4	Confident	72.2	Confident	71 Å²	71	57.5 Å²	57.5	27%	0.268	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	140.1	170.5	-51.2	-168.7	66.8	-178.3	-1.5	109.9	W161 N227 Q228	W161-R175 HydrophobicContact CE3-CB 4.27Å; W161-R175 HydrophobicContact CH2-CB 3.76Å; W161-R175 HydrophobicContact CZ3-CB 3.56Å; W161-R175 PolarHBondContact O-NH2 3.24Å; R175-N227 WeakPolarHBondContact O-CA 3.47Å; R175-Q228 HydrophobicContact CB-CB 4.26Å; R175-Q228 PolarHBondContact N-O 3.08Å; R175-Q228 PolarHBondContact O-N 3.16Å
176	V	89.6	Confident	72.4	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.012	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	139.9	175.9	-166.1	0	0	0	0	110.1	L171 R174 Y185 T225 V226 N227	L171-V176 HydrophobicContact CD1-CB 4.25Å; L171-V176 HydrophobicContact CD1-CG2 3.51Å; R174-V176 HydrophobicContact CG-CG2 3.81Å; V176-Y185 WeakPolarHBondContact CG1-OH 3.21Å; V176-T225 HydrophobicContact CG1-CG2 3.46Å; V176-T225 VanDerWaalsContact CG1-CG2 3.46Å; V176-V226 CarbonylContact C-O 3.56Å; V176-V226 VanDerWaalsContact CA-O 3.27Å; V176-V226 WeakPolarHBondContact CA-O 3.22Å; V176-V226 WeakPolarHBondContact CG1-O 3.35Å; V176-N227 WeakPolarHBondContact CG2-OD1 3.19Å
177	K	90.6	Very high	73.2	Confident	22 Å²	22	59.3 Å²	59.3	10%	0.096	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	149.2	170.6	-173.6	155.2	-179.7	165.9	0	110.1	D160 W161 T163 D165 Y179 V226	D160-K177 VanDerWaalsContact O-CD 3.28Å; D160-K177 WeakPolarHBondContact O-CD 3.27Å; D160-K177 PolarHBondContact O-NZ 3.11Å; D160-K177 IonicContact OD2-NZ 2.81Å; D160-K177 PolarHBondContact OD2-NZ 2.86Å; W161-K177 HydrophobicContact CZ3-CB 4.25Å; T163-K177 PolarHBondContact OG1-NZ 3.09Å; D165-K177 WeakPolarHBondContact OD2-CG 3.1Å; K177-Y179 HydrophobicContact CB-CE2 4.29Å; K177-Y179 HydrophobicContact CD-CE2 4.16Å; K177-Y179 HydrophobicContact CG-CD2 4.39Å; K177-Y179 HydrophobicContact CG-CE2 3.74Å; K177-V226 PolarHBondContact N-O 2.74Å; K177-V226 PolarHBondContact O-N 2.73Å
178	H	91.1	Very high	74	Confident	11 Å²	11	62.9 Å²	62.9	5%	0.051	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	143.2	-176.9	-65.5	143.9	0	0	0	111.5	F183 Y185 L196	H178-F183 PolarHBondContact CE1-O 2.66Å; H178-F183 PolarHBondContact ND1-N 3.34Å; H178-Y185 AromaticContact CE1-CE2 3.78Å; H178-Y185 AromaticContact CE1-CZ 3.77Å; H178-Y185 PolarHBondContact CE1-OH 3.17Å; H178-Y185 VanDerWaalsContact CE1-OH 3.28Å; H178-Y185 AromaticContact NE2-CZ 3.95Å; H178-Y185 PolarHBondContact NE2-OH 3.32Å; H178-Y185 VanDerWaalsContact NE2-OH 3.1Å; H178-L196 HydrophobicContact CB-CD1 3.96Å; H178-L196 WeakPolarHBondContact O-CD1 3.44Å
179	Y	92.3	Very high	75.1	Confident	23 Å²	23	61.3 Å²	61.3	9%	0.09	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	147.8	178.5	-66.9	-92.3	0	0	0	109.3	K177 F181 G199 P201 L224 V226	K177-Y179 HydrophobicContact CB-CE2 4.29Å; K177-Y179 HydrophobicContact CD-CE2 4.16Å; K177-Y179 HydrophobicContact CG-CD2 4.39Å; K177-Y179 HydrophobicContact CG-CE2 3.74Å; Y179-F181 PolarHBondContact O-N 3.05Å; Y179-G199 CarbonylContact C-O 3.53Å; Y179-G199 WeakPolarHBondContact CB-O 3.3Å; Y179-P201 HydrophobicContact CD1-CG 3.7Å; Y179-P201 HydrophobicContact CE1-CG 3.65Å; Y179-P201 HydrophobicContact CG-CG 4.15Å; Y179-L224 HydrophobicContact CD2-CD2 3.95Å; Y179-L224 HydrophobicContact CD2-CG 4.19Å; Y179-L224 HydrophobicContact CG-CD2 4.22Å; Y179-L224 PolarHBondContact N-O 3.2Å; Y179-L224 PolarHBondContact O-N 3.35Å; Y179-V226 HydrophobicContact CD2-CG2 4.12Å; Y179-V226 HydrophobicContact CE2-CG2 3.89Å
180	G	91.3	Very high	76.6	Confident	5 Å²	5	55 Å²	55	5%	0.052	27%	0.274	C	S	.	.	S	Bend	trans	74.6	-57.6	-173.9	0	0	0	0	0	113.4	P195 L196 G199 D222	G180-P195 CarbonylContact O-C 3.57Å; G180-P195 WeakPolarHBondContact O-CA 3.36Å; G180-L196 PolarHBondContact O-N 3.15Å; G180-G199 PolarHBondContact N-O 2.77Å; G180-D222 WeakPolarHBondContact CA-O 3.31Å
181	F	89.9	Confident	78	Confident	21 Å²	21	54.8 Å²	54.8	9%	0.092	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	145.8	174	-67.3	-99.2	0	0	0	111.1	Y179 V190 P195 D222 Q223 I339	Y179-F181 PolarHBondContact O-N 3.05Å; F181-V190 HydrophobicContact CB-CG1 3.5Å; F181-V190 HydrophobicContact CD1-CG1 3.79Å; F181-V190 HydrophobicContact CG-CG1 3.88Å; F181-P195 HydrophobicContact CD1-CB 4.16Å; F181-P195 HydrophobicContact CE1-CB 3.77Å; F181-P195 HydrophobicContact CE1-CG 4.46Å; F181-P195 HydrophobicContact CE2-CB 4.49Å; F181-P195 HydrophobicContact CZ-CB 3.95Å; F181-D222 WeakPolarHBondContact CD2-O 3.49Å; F181-D222 HydrophobicContact CE2-CB 4.49Å; F181-Q223 HydrophobicContact CB-CG 4.1Å; F181-I339 HydrophobicContact CD2-CD1 4.23Å; F181-I339 HydrophobicContact CD2-CG1 3.58Å; F181-I339 HydrophobicContact CE2-CG1 3.7Å; F181-I339 HydrophobicContact CG-CD1 4.37Å; F181-I339 HydrophobicContact CG-CG1 4.11Å; F181-I339 HydrophobicContact CZ-CG1 4.29Å
182	E	85.8	Confident	79.2	Confident	64 Å²	64	55.4 Å²	55.4	30%	0.299	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	134.1	172.2	-179.2	157	-136.8	0	0	110.9	L196	E182-L196 HydrophobicContact CB-CD1 4.28Å; E182-L196 HydrophobicContact CB-CD2 4.29Å; E182-L196 HydrophobicContact CB-CG 4.44Å
183	F	78.3	Confident	80.5	Confident	26 Å²	26	53.7 Å²	53.7	11%	0.114	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	120.3	172.8	-175.5	-95.2	0	0	0	110.4	H178 Y185 N188 V190 F245	H178-F183 PolarHBondContact CE1-O 2.66Å; H178-F183 PolarHBondContact ND1-N 3.34Å; F183-Y185 AromaticContact CD1-CD1 3.68Å; F183-Y185 HydrophobicContact CD1-CD1 3.68Å; F183-Y185 AromaticContact CD1-CE1 3.5Å; F183-Y185 HydrophobicContact CD1-CE1 3.5Å; F183-Y185 VanDerWaalsContact CD1-CE1 3.5Å; F183-Y185 HydrophobicContact CD1-CG 4.37Å; F183-Y185 AromaticContact CE1-CD1 3.76Å; F183-Y185 HydrophobicContact CE1-CD1 3.76Å; F183-Y185 AromaticContact CE1-CE1 3.84Å; F183-Y185 HydrophobicContact CE1-CE1 3.84Å; F183-Y185 PolarHBondContact O-N 3.38Å; F183-N188 HydrophobicContact CE1-CB 4.43Å; F183-N188 WeakPolarHBondContact CE2-O 3.45Å; F183-N188 VanDerWaalsContact CZ-CA 3.46Å; F183-N188 HydrophobicContact CZ-CB 3.92Å; F183-N188 WeakPolarHBondContact CZ-O 3.39Å; F183-V190 HydrophobicContact CD2-CG2 3.98Å; F183-F245 HydrophobicContact CD2-CE2 4.15Å; F183-F245 AromaticContact CD2-CZ 3.83Å; F183-F245 HydrophobicContact CD2-CZ 3.83Å; F183-F245 AromaticContact CE2-CE2 3.9Å; F183-F245 HydrophobicContact CE2-CE2 3.9Å; F183-F245 HydrophobicContact CE2-CZ 4.06Å
184	C	73.3	Confident	81.4	Confident	39 Å²	39	53.4 Å²	53.4	26%	0.264	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	100.4	-175.2	-60.6	0	0	0	0	110.4	D186 N187 N188 N189	C184-D186 VanDerWaalsContact C-N 3.25Å; C184-D186 PolarHBondContact O-N 2.86Å; C184-N187 VanDerWaalsContact CB-OD1 3.27Å; C184-N187 WeakPolarHBondContact CB-OD1 3.26Å; C184-N187 PolarHBondContact O-N 3.44Å; C184-N187 VanDerWaalsContact O-N 3.16Å; C184-N187 PolarHBondContact O-OD1 3.18Å; C184-N187 VanDerWaalsContact O-OD1 3.04Å; C184-N188 WeakPolarHBondContact O-CA 3.35Å; C184-N188 PolarHBondContact O-N 2.93Å; C184-N189 PolarHBondContact N-O 2.99Å; C184-N189 PolarHBondContact O-N 3.39Å
185	Y	69.8	Low	81.8	Confident	54 Å²	54	55.5 Å²	55.5	21%	0.212	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-25.9	-176.6	-64.7	-68	0	0	0	114.9	A167 A170 L171 V176 H178 F183 N187	A167-Y185 HydrophobicContact CB-CE2 4.05Å; A170-Y185 HydrophobicContact CB-CD2 4.42Å; L171-Y185 HydrophobicContact CD1-CD2 4.49Å; L171-Y185 HydrophobicContact CD1-CE1 3.98Å; L171-Y185 HydrophobicContact CD1-CE2 3.82Å; L171-Y185 HydrophobicContact CG-CE2 4.31Å; V176-Y185 WeakPolarHBondContact CG1-OH 3.21Å; H178-Y185 AromaticContact CE1-CE2 3.78Å; H178-Y185 AromaticContact CE1-CZ 3.77Å; H178-Y185 PolarHBondContact CE1-OH 3.17Å; H178-Y185 VanDerWaalsContact CE1-OH 3.28Å; H178-Y185 AromaticContact NE2-CZ 3.95Å; H178-Y185 PolarHBondContact NE2-OH 3.32Å; H178-Y185 VanDerWaalsContact NE2-OH 3.1Å; F183-Y185 AromaticContact CD1-CD1 3.68Å; F183-Y185 HydrophobicContact CD1-CD1 3.68Å; F183-Y185 AromaticContact CD1-CE1 3.5Å; F183-Y185 HydrophobicContact CD1-CE1 3.5Å; F183-Y185 VanDerWaalsContact CD1-CE1 3.5Å; F183-Y185 HydrophobicContact CD1-CG 4.37Å; F183-Y185 AromaticContact CE1-CD1 3.76Å; F183-Y185 HydrophobicContact CE1-CD1 3.76Å; F183-Y185 AromaticContact CE1-CE1 3.84Å; F183-Y185 HydrophobicContact CE1-CE1 3.84Å; F183-Y185 PolarHBondContact O-N 3.38Å; Y185-N187 PolarHBondContact O-N 3.3Å
186	D	60.9	Low	81.8	Confident	154 Å²	154	54.5 Å²	54.5	82%	0.824	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-24.3	178.3	-58.8	-45	0	0	0	112.6	C184 P362	C184-D186 VanDerWaalsContact C-N 3.25Å; C184-D186 PolarHBondContact O-N 2.86Å; D186-P362 WeakPolarHBondContact O-CG 3.33Å
187	N	66.6	Low	81.2	Confident	81 Å²	81	61 Å²	61	43%	0.433	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	1.8	177.1	72.1	11.8	0	0	0	115.7	C184 Y185 N189 P362	C184-N187 VanDerWaalsContact CB-OD1 3.27Å; C184-N187 WeakPolarHBondContact CB-OD1 3.26Å; C184-N187 PolarHBondContact O-N 3.44Å; C184-N187 VanDerWaalsContact O-N 3.16Å; C184-N187 PolarHBondContact O-OD1 3.18Å; C184-N187 VanDerWaalsContact O-OD1 3.04Å; Y185-N187 PolarHBondContact O-N 3.3Å; N187-N189 PolarHBondContact O-N 3.3Å; N187-N189 WeakPolarHBondContact OD1-CA 3.26Å; N187-N189 WeakPolarHBondContact OD1-CB 3.49Å; N187-N189 PolarHBondContact OD1-N 2.79Å; N187-P362 HydrophobicContact CB-CG 4.09Å
188	N	69.4	Low	80.7	Confident	78 Å²	78	63.8 Å²	63.8	42%	0.417	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.9	35.2	-172.2	-67.5	-49.2	0	0	0	113.6	F183 C184 T241	F183-N188 HydrophobicContact CE1-CB 4.43Å; F183-N188 WeakPolarHBondContact CE2-O 3.45Å; F183-N188 VanDerWaalsContact CZ-CA 3.46Å; F183-N188 HydrophobicContact CZ-CB 3.92Å; F183-N188 WeakPolarHBondContact CZ-O 3.39Å; C184-N188 WeakPolarHBondContact O-CA 3.35Å; C184-N188 PolarHBondContact O-N 2.93Å; N188-T241 WeakPolarHBondContact O-CB 3.43Å; N188-T241 PolarHBondContact O-OG1 2.8Å
189	N	77.5	Confident	80.5	Confident	35 Å²	35	64.8 Å²	64.8	19%	0.187	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	-174.6	-177.3	-143	-48.4	0	0	0	111	C184 N187 S243 A244	C184-N189 PolarHBondContact N-O 2.99Å; C184-N189 PolarHBondContact O-N 3.39Å; N187-N189 PolarHBondContact O-N 3.3Å; N187-N189 WeakPolarHBondContact OD1-CA 3.26Å; N187-N189 WeakPolarHBondContact OD1-CB 3.49Å; N187-N189 PolarHBondContact OD1-N 2.79Å; N189-S243 PolarHBondContact ND2-OG 3Å; N189-S243 VanDerWaalsContact ND2-OG 3.1Å; N189-A244 WeakPolarHBondContact OD1-CB 3.47Å
190	V	80.7	Confident	80.5	Confident	9 Å²	9	65.2 Å²	65.2	6%	0.055	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	135.8	176.9	173.9	0	0	0	0	109.4	F181 F183 K192 F245 I339	F181-V190 HydrophobicContact CB-CG1 3.5Å; F181-V190 HydrophobicContact CD1-CG1 3.79Å; F181-V190 HydrophobicContact CG-CG1 3.88Å; F183-V190 HydrophobicContact CD2-CG2 3.98Å; V190-K192 PolarHBondContact O-N 2.89Å; V190-F245 HydrophobicContact CG2-CE1 3.9Å; V190-F245 HydrophobicContact CG2-CZ 3.84Å; V190-I339 HydrophobicContact CB-CD1 4.08Å; V190-I339 HydrophobicContact CG1-CD1 3.84Å; V190-I339 HydrophobicContact CG2-CD1 3.92Å
191	D	80.4	Confident	80.6	Confident	57 Å²	57	65.7 Å²	65.7	31%	0.305	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	92.8	170.4	-164.6	-41.1	0	0	0	109.4	D193 K194	D191-D193 PolarHBondContact O-N 3.09Å; D191-D193 VanDerWaalsContact O-N 3.13Å; D191-D193 PolarHBondContact OD1-N 2.94Å; D191-K194 HydrophobicContact CB-CB 4.25Å; D191-K194 PolarHBondContact O-N 2.8Å; D191-K194 WeakPolarHBondContact OD1-CG 3.4Å; D191-K194 IonicContact OD1-NZ 2.94Å; D191-K194 PolarHBondContact OD1-NZ 2.9Å; D191-K194 WeakPolarHBondContact OD2-CD 3.47Å; D191-K194 IonicContact OD2-NZ 3.18Å; D191-K194 PolarHBondContact OD2-NZ 2.85Å
192	K	84.3	Confident	80.7	Confident	56 Å²	56	72.3 Å²	72.3	24%	0.243	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	-17.8	-171.8	-55.6	-177.2	-172	-177.3	0	113.2	V190 S243 I339 R340	V190-K192 PolarHBondContact O-N 2.89Å; K192-S243 PolarHBondContact NZ-O 3.09Å; K192-I339 HydrophobicContact CD-CG2 4.46Å; K192-I339 HydrophobicContact CG-CG2 4.3Å; K192-R340 VanDerWaalsContact CE-O 3.24Å; K192-R340 WeakPolarHBondContact CE-O 3.31Å; K192-R340 PolarHBondContact NZ-O 3.44Å
193	D	83.9	Confident	81.2	Confident	148 Å²	148	73.9 Å²	73.9	79%	0.791	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	-2.2	178.4	-57	-43.6	0	0	0	112.8	D191	D191-D193 PolarHBondContact O-N 3.09Å; D191-D193 VanDerWaalsContact O-N 3.13Å; D191-D193 PolarHBondContact OD1-N 2.94Å
194	K	85.5	Confident	82	Confident	129 Å²	129	72.6 Å²	72.6	56%	0.561	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.4	70.3	-177.5	-62.5	-176.6	-162.1	69	0	112.9	D191	D191-K194 HydrophobicContact CB-CB 4.25Å; D191-K194 PolarHBondContact O-N 2.8Å; D191-K194 WeakPolarHBondContact OD1-CG 3.4Å; D191-K194 IonicContact OD1-NZ 2.94Å; D191-K194 PolarHBondContact OD1-NZ 2.9Å; D191-K194 WeakPolarHBondContact OD2-CD 3.47Å; D191-K194 IonicContact OD2-NZ 3.18Å; D191-K194 PolarHBondContact OD2-NZ 2.85Å
195	P	88.9	Confident	83	Confident	81 Å²	81	74.1 Å²	74.1	53%	0.526	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	146.9	167.7	27.6	-34.6	0	0	0	111.6	G180 F181	G180-P195 CarbonylContact O-C 3.57Å; G180-P195 WeakPolarHBondContact O-CA 3.36Å; F181-P195 HydrophobicContact CD1-CB 4.16Å; F181-P195 HydrophobicContact CE1-CB 3.77Å; F181-P195 HydrophobicContact CE1-CG 4.46Å; F181-P195 HydrophobicContact CE2-CB 4.49Å; F181-P195 HydrophobicContact CZ-CB 3.95Å
196	L	87.2	Confident	84.2	Confident	49 Å²	49	75.1 Å²	75.1	26%	0.257	42%	0.42	S	S	.	.			trans	-77.2	132.4	175.2	-68	172.4	0	0	0	110	H178 G180 E182 A198 G199	H178-L196 HydrophobicContact CB-CD1 3.96Å; H178-L196 WeakPolarHBondContact O-CD1 3.44Å; G180-L196 PolarHBondContact O-N 3.15Å; E182-L196 HydrophobicContact CB-CD1 4.28Å; E182-L196 HydrophobicContact CB-CD2 4.29Å; E182-L196 HydrophobicContact CB-CG 4.44Å; L196-A198 PolarHBondContact O-N 3.15Å; L196-G199 PolarHBondContact O-N 2.83Å; L196-G199 VanDerWaalsContact O-N 3.15Å
197	P	78.7	Confident	85.9	Confident	138 Å²	138	67.9 Å²	67.9	90%	0.896	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-13.6	-168.7	27.1	-36.3	0	0	0	114.7
198	A	79.1	Confident	87.3	Confident	82 Å²	82	64.2 Å²	64.2	68%	0.678	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-6.6	178.7	0	0	0	0	0	114.2	L196	L196-A198 PolarHBondContact O-N 3.15Å
199	G	87.8	Confident	88.6	Confident	31 Å²	31	65.1 Å²	65.1	32%	0.32	36%	0.363	S	S	.	.			trans	60.5	-146.7	-176.7	0	0	0	0	0	113.2	Y179 G180 L196	Y179-G199 CarbonylContact C-O 3.53Å; Y179-G199 WeakPolarHBondContact CB-O 3.3Å; G180-G199 PolarHBondContact N-O 2.77Å; L196-G199 PolarHBondContact O-N 2.83Å; L196-G199 VanDerWaalsContact O-N 3.15Å
200	L	91.9	Very high	89.5	Confident	32 Å²	32	66.9 Å²	66.9	17%	0.168	37%	0.367	C	S	.	.	S	Bend	trans	-96.5	148.4	168.4	-92.6	64.1	0	0	0	109.7	L208 D222 L224 F336	L200-L208 HydrophobicContact CD2-CD1 3.95Å; L200-D222 WeakPolarHBondContact CD1-O 3.32Å; L200-L224 HydrophobicContact CD1-CB 4.42Å; L200-L224 HydrophobicContact CD2-CB 4.26Å; L200-L224 HydrophobicContact CG-CB 4.03Å; L200-F336 HydrophobicContact CD2-CD1 4.16Å
201	P	92.8	Very high	90.2	Very high	15 Å²	15	66.5 Å²	66.5	10%	0.097	37%	0.365	C	S	.	.			trans	-59.6	138.3	176.4	-19.8	31.7	0	0	0	112	Y179 E203 C204 L224	Y179-P201 HydrophobicContact CD1-CG 3.7Å; Y179-P201 HydrophobicContact CE1-CG 3.65Å; Y179-P201 HydrophobicContact CG-CG 4.15Å; P201-E203 WeakPolarHBondContact CB-OE2 3.11Å; P201-E203 PolarHBondContact O-N 2.82Å; P201-C204 WeakPolarHBondContact O-CB 3.22Å; P201-C204 PolarHBondContact O-N 3.32Å; P201-L224 HydrophobicContact CG-CD2 4.29Å
202	E	92.9	Very high	90.9	Very high	161 Å²	161	67 Å²	67	75%	0.752	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-63.6	-29.7	-178.9	-65.6	-172.3	177.3	0	0	111.8	C204 L205	E202-C204 PolarHBondContact O-N 2.81Å; E202-C204 VanDerWaalsContact O-N 3.17Å; E202-L205 HydrophobicContact CB-CD1 4.28Å; E202-L205 HydrophobicContact CG-CD1 4.39Å; E202-L205 VanDerWaalsContact O-CB 3.31Å; E202-L205 WeakPolarHBondContact O-CB 3.39Å; E202-L205 WeakPolarHBondContact O-CG 3.44Å; E202-L205 PolarHBondContact O-N 2.86Å
203	E	94.6	Very high	91.4	Very high	96 Å²	96	72.4 Å²	72.4	45%	0.449	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-62.1	-20.8	175.3	-54.7	86.9	165.7	0	0	112.9	L155 A158 P201	L155-E203 WeakPolarHBondContact CD2-O 3.49Å; A158-E203 HydrophobicContact CB-CB 4.09Å; A158-E203 HydrophobicContact CB-CG 3.89Å; P201-E203 WeakPolarHBondContact CB-OE2 3.11Å; P201-E203 PolarHBondContact O-N 2.82Å
204	C	95.5	Very high	91.8	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-81	-20.8	174.1	-63.4	0	0	0	0	113	P201 E202 V207 L208 F336	P201-C204 WeakPolarHBondContact O-CB 3.22Å; P201-C204 PolarHBondContact O-N 3.32Å; E202-C204 PolarHBondContact O-N 2.81Å; E202-C204 VanDerWaalsContact O-N 3.17Å; C204-V207 PolarHBondContact O-N 3.38Å; C204-L208 HydrophobicContact CB-CD1 4.4Å; C204-L208 WeakPolarHBondContact O-CG 3.13Å; C204-L208 PolarHBondContact O-N 2.78Å; C204-F336 HydrophobicContact CB-CE1 3.78Å; C204-F336 HydrophobicContact CB-CZ 4.09Å
205	L	94.6	Very high	92.2	Very high	71 Å²	71	65 Å²	65	37%	0.372	37%	0.369	S	S	.	.	H	α-helix	trans	-62	-42.5	-172.2	-62.3	173.3	0	0	0	113.7	E202 V207 L208 H209	E202-L205 HydrophobicContact CB-CD1 4.28Å; E202-L205 HydrophobicContact CG-CD1 4.39Å; E202-L205 VanDerWaalsContact O-CB 3.31Å; E202-L205 WeakPolarHBondContact O-CB 3.39Å; E202-L205 WeakPolarHBondContact O-CG 3.44Å; E202-L205 PolarHBondContact O-N 2.86Å; L205-V207 VanDerWaalsContact C-N 3.29Å; L205-V207 PolarHBondContact O-N 2.93Å; L205-L208 PolarHBondContact O-N 3.23Å; L205-H209 WeakPolarHBondContact O-CB 3.15Å; L205-H209 PolarHBondContact O-CD2 2.92Å; L205-H209 PolarHBondContact O-N 3.21Å
206	P	95.9	Very high	92.3	Very high	74 Å²	74	63.1 Å²	63.1	48%	0.481	35%	0.354	S	S	.	.	H	α-helix	trans	-58.8	-40.3	177	-24.7	35.2	0	0	0	112.8	H209 R210	P206-H209 PolarHBondContact O-N 3.05Å; P206-R210 WeakPolarHBondContact O-CB 3.48Å; P206-R210 PolarHBondContact O-N 3.2Å
207	V	95.8	Very high	92.6	Very high	3 Å²	3	61.2 Å²	61.2	2%	0.018	34%	0.344	C	S	.	.	H	α-helix	trans	-68.7	-40	178.7	-174.2	0	0	0	0	111	F146 V147 L155 C204 L205 R210 C211 L252	F146-V207 HydrophobicContact CD1-CG1 4.32Å; F146-V207 HydrophobicContact CE1-CG1 3.75Å; V147-V207 HydrophobicContact CG1-CG1 3.97Å; V147-V207 HydrophobicContact CG1-CG2 4Å; L155-V207 HydrophobicContact CD1-CG2 4.18Å; C204-V207 PolarHBondContact O-N 3.38Å; L205-V207 VanDerWaalsContact C-N 3.29Å; L205-V207 PolarHBondContact O-N 2.93Å; V207-R210 WeakPolarHBondContact O-CB 3.32Å; V207-R210 PolarHBondContact O-N 3.07Å; V207-C211 PolarHBondContact O-N 3.23Å; V207-C211 PolarHBondContact O-SG 2.98Å; V207-L252 HydrophobicContact CG1-CD2 4.37Å
208	L	96.5	Very high	93.2	Very high	3 Å²	3	61.2 Å²	61.2	2%	0.016	34%	0.336	C	S	.	.	H	α-helix	trans	-71.3	-35	177.1	-67.9	177.9	0	0	0	112.6	L200 C204 L205 C211 L212 L220 P221 L250 F336	L200-L208 HydrophobicContact CD2-CD1 3.95Å; C204-L208 HydrophobicContact CB-CD1 4.4Å; C204-L208 WeakPolarHBondContact O-CG 3.13Å; C204-L208 PolarHBondContact O-N 2.78Å; L205-L208 PolarHBondContact O-N 3.23Å; L208-C211 PolarHBondContact O-N 3.21Å; L208-L212 PolarHBondContact O-N 3.2Å; L208-L220 HydrophobicContact CB-CD2 4.03Å; L208-P221 HydrophobicContact CD1-CG 3.88Å; L208-P221 HydrophobicContact CD2-CG 3.48Å; L208-P221 VanDerWaalsContact CD2-CG 3.48Å; L208-P221 HydrophobicContact CG-CG 4.28Å; L208-L250 HydrophobicContact CD2-CD1 4.26Å; L208-F336 HydrophobicContact CD1-CD1 4.07Å; L208-F336 HydrophobicContact CD1-CE1 4.12Å; L208-F336 HydrophobicContact CD2-CB 4.28Å; L208-F336 HydrophobicContact CD2-CD1 3.87Å; L208-F336 HydrophobicContact CD2-CD2 4.22Å; L208-F336 HydrophobicContact CD2-CE1 4.16Å; L208-F336 HydrophobicContact CD2-CE2 4.49Å; L208-F336 HydrophobicContact CD2-CG 3.89Å; L208-F336 HydrophobicContact CD2-CZ 4.46Å; L208-F336 HydrophobicContact CG-CD1 4.35Å; L208-F336 HydrophobicContact CG-CE1 4.29Å
209	H	96.2	Very high	93.9	Very high	98 Å²	98	61.4 Å²	61.4	45%	0.454	33%	0.329	S	S	.	.	H	α-helix	trans	-66.9	-38.9	171.5	-74	-58.4	0	0	0	112	L205 P206 L212 Q213	L205-H209 WeakPolarHBondContact O-CB 3.15Å; L205-H209 PolarHBondContact O-CD2 2.92Å; L205-H209 PolarHBondContact O-N 3.21Å; P206-H209 PolarHBondContact O-N 3.05Å; H209-L212 PolarHBondContact O-N 2.92Å; H209-Q213 WeakPolarHBondContact O-CB 3.45Å; H209-Q213 PolarHBondContact O-N 2.9Å
210	R	96.6	Very high	94.2	Very high	72 Å²	72	62.8 Å²	62.8	27%	0.272	33%	0.329	S	S	.	.	H	α-helix	trans	-56.9	-50.9	169.4	-173.6	179.6	-59	150.4	12	111	F146 E151 P206 V207 L212 Q213 D214	F146-R210 HydrophobicContact CE1-CG 4.46Å; F146-R210 HydrophobicContact CE2-CG 3.87Å; F146-R210 HydrophobicContact CZ-CB 4.09Å; F146-R210 HydrophobicContact CZ-CG 3.6Å; F146-R210 PolarHBondContact O-NH1 2.78Å; E151-R210 IonicContact OE1-CZ 2.69Å; E151-R210 IonicContact OE1-NH1 3.16Å; E151-R210 PolarHBondContact OE1-NH1 2.54Å; E151-R210 IonicContact OE1-NH2 2.64Å; E151-R210 PolarHBondContact OE1-NH2 2.99Å; E151-R210 IonicContact OE2-CZ 2.82Å; E151-R210 IonicContact OE2-NH1 3.2Å; E151-R210 PolarHBondContact OE2-NH1 3.21Å; E151-R210 IonicContact OE2-NH2 2.73Å; E151-R210 PolarHBondContact OE2-NH2 3.05Å; P206-R210 WeakPolarHBondContact O-CB 3.48Å; P206-R210 PolarHBondContact O-N 3.2Å; V207-R210 WeakPolarHBondContact O-CB 3.32Å; V207-R210 PolarHBondContact O-N 3.07Å; R210-L212 PolarHBondContact O-N 2.93Å; R210-L212 VanDerWaalsContact O-N 3.15Å; R210-Q213 PolarHBondContact O-N 2.92Å; R210-Q213 VanDerWaalsContact O-N 3.09Å; R210-D214 VanDerWaalsContact CG-OD2 3.23Å; R210-D214 WeakPolarHBondContact CG-OD2 3.48Å; R210-D214 WeakPolarHBondContact O-CB 3.38Å; R210-D214 VanDerWaalsContact O-CG 3.25Å; R210-D214 PolarHBondContact O-N 3.39Å
211	C	95.7	Very high	94.5	Very high	1 Å²	1	62 Å²	62	1%	0.007	33%	0.325	C	S	.	.	H	α-helix	trans	-58	-30.8	176.3	-64.2	0	0	0	0	114.1	F146 V207 L208 H216 I217 L250	F146-C211 VanDerWaalsContact CE1-SG 3.57Å; F146-C211 WeakPolarHBondContact CZ-SG 3.37Å; V207-C211 PolarHBondContact O-N 3.23Å; V207-C211 PolarHBondContact O-SG 2.98Å; L208-C211 PolarHBondContact O-N 3.21Å; C211-H216 HydrophobicContact CB-CB 4.25Å; C211-H216 WeakPolarHBondContact O-CA 3.36Å; C211-H216 WeakPolarHBondContact O-CB 3.47Å; C211-H216 PolarHBondContact O-N 2.85Å; C211-I217 HydrophobicContact CB-CD1 3.97Å; C211-I217 HydrophobicContact CB-CG1 3.85Å; C211-I217 WeakPolarHBondContact O-CG1 3.28Å; C211-I217 PolarHBondContact O-N 2.88Å; C211-L250 HydrophobicContact CB-CD1 3.89Å
212	L	94.6	Very high	94.6	Very high	66 Å²	66	63 Å²	63	35%	0.346	33%	0.329	S	S	.	.	H	α-helix	trans	-78.1	-39.8	176.4	-176.3	66.1	0	0	0	111.9	L208 H209 R210 G215 I217 L220	L208-L212 PolarHBondContact O-N 3.2Å; H209-L212 PolarHBondContact O-N 2.92Å; R210-L212 PolarHBondContact O-N 2.93Å; R210-L212 VanDerWaalsContact O-N 3.15Å; L212-G215 PolarHBondContact O-N 3.21Å; L212-I217 HydrophobicContact CB-CD1 4.36Å; L212-I217 HydrophobicContact CB-CG1 4.16Å; L212-I217 HydrophobicContact CD1-CG1 4.4Å; L212-I217 WeakPolarHBondContact CD1-O 3.16Å; L212-L220 HydrophobicContact CB-CD2 4.47Å; L212-L220 HydrophobicContact CD2-CD2 4.18Å; L212-L220 HydrophobicContact CD2-CG 4.29Å
213	Q	94.8	Very high	94.7	Very high	170 Å²	170	55.3 Å²	55.3	79%	0.794	29%	0.294	S	S	*	.	H	α-helix	trans	-66.9	-39.3	176.7	-179.8	172.8	-26.8	0	0	112	H209 R210 G215	H209-Q213 WeakPolarHBondContact O-CB 3.45Å; H209-Q213 PolarHBondContact O-N 2.9Å; R210-Q213 PolarHBondContact O-N 2.92Å; R210-Q213 VanDerWaalsContact O-N 3.09Å; Q213-G215 PolarHBondContact O-N 2.84Å
214	D	93.3	Very high	94.8	Very high	79 Å²	79	50.7 Å²	50.7	42%	0.422	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	8.4	-178.7	-56.9	-24.2	0	0	0	113	R210 H216	R210-D214 VanDerWaalsContact CG-OD2 3.23Å; R210-D214 WeakPolarHBondContact CG-OD2 3.48Å; R210-D214 WeakPolarHBondContact O-CB 3.38Å; R210-D214 VanDerWaalsContact O-CG 3.25Å; R210-D214 PolarHBondContact O-N 3.39Å; D214-H216 PolarHBondContact O-N 2.96Å; D214-H216 VanDerWaalsContact O-N 3.13Å; D214-H216 PolarHBondContact O-ND1 2.93Å
215	G	92.3	Very high	94.8	Very high	42 Å²	42	51 Å²	51	43%	0.433	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	11.9	179.3	0	0	0	0	0	115	L212 Q213 I217 K283	L212-G215 PolarHBondContact O-N 3.21Å; Q213-G215 PolarHBondContact O-N 2.84Å; G215-I217 VanDerWaalsContact C-N 3.33Å; G215-K283 PolarHBondContact O-NZ 2.82Å
216	H	91.3	Very high	94.8	Very high	43 Å²	43	47.6 Å²	47.6	20%	0.199	26%	0.256	C	S	.	.	S	Bend	trans	-68	-35.2	176.5	-61.7	-6.5	0	0	0	111	C211 D214 V281 K283	C211-H216 HydrophobicContact CB-CB 4.25Å; C211-H216 WeakPolarHBondContact O-CA 3.36Å; C211-H216 WeakPolarHBondContact O-CB 3.47Å; C211-H216 PolarHBondContact O-N 2.85Å; D214-H216 PolarHBondContact O-N 2.96Å; D214-H216 VanDerWaalsContact O-N 3.13Å; D214-H216 PolarHBondContact O-ND1 2.93Å; H216-V281 HydrophobicContact CB-CG2 4.41Å; H216-K283 WeakPolarHBondContact O-CE 3.47Å; H216-K283 PolarHBondContact O-NZ 2.78Å
217	I	93.7	Very high	94.8	Very high	9 Å²	9	44.4 Å²	44.4	5%	0.046	24%	0.235	C	C	.	.			trans	-127	155.2	169.8	51.6	173.7	0	0	0	111.3	C211 L212 G215 L220 T248 L250	C211-I217 HydrophobicContact CB-CD1 3.97Å; C211-I217 HydrophobicContact CB-CG1 3.85Å; C211-I217 WeakPolarHBondContact O-CG1 3.28Å; C211-I217 PolarHBondContact O-N 2.88Å; L212-I217 HydrophobicContact CB-CD1 4.36Å; L212-I217 HydrophobicContact CB-CG1 4.16Å; L212-I217 HydrophobicContact CD1-CG1 4.4Å; L212-I217 WeakPolarHBondContact CD1-O 3.16Å; G215-I217 VanDerWaalsContact C-N 3.33Å; I217-L220 HydrophobicContact CD1-CD2 4.28Å; I217-T248 HydrophobicContact CG2-CG2 3.76Å; I217-L250 HydrophobicContact CD1-CD1 4.41Å; I217-L250 HydrophobicContact CG2-CD1 3.76Å; I217-L250 HydrophobicContact CG2-CD2 4.1Å; I217-L250 HydrophobicContact CG2-CG 3.95Å
218	N	91.9	Very high	94.7	Very high	137 Å²	137	46 Å²	46	73%	0.733	24%	0.242	S	C	*	.	S	Bend	trans	-103.6	-13.9	174.8	-61.6	0.7	0	0	0	112.7
219	V	93.4	Very high	94.5	Very high	87 Å²	87	46.6 Å²	46.6	53%	0.527	25%	0.245	S	C	.	.	S	Bend	trans	-146	138.2	-177.5	-178.3	0	0	0	0	107.7	K338	V219-K338 HydrophobicContact CG1-CD 4.03Å
220	L	95.1	Very high	94.3	Very high	60 Å²	60	47.4 Å²	47.4	31%	0.314	25%	0.248	S	C	.	.			trans	-63.4	131.7	177.8	-67.8	173.1	0	0	0	111.4	L208 L212 I217 K338	L208-L220 HydrophobicContact CB-CD2 4.03Å; L212-L220 HydrophobicContact CB-CD2 4.47Å; L212-L220 HydrophobicContact CD2-CD2 4.18Å; L212-L220 HydrophobicContact CD2-CG 4.29Å; I217-L220 HydrophobicContact CD1-CD2 4.28Å; L220-K338 WeakPolarHBondContact O-CD 3.36Å
221	P	96.2	Very high	93.9	Very high	15 Å²	15	46 Å²	46	10%	0.097	25%	0.25	C	C	.	.			trans	-67.8	152.5	175.1	28.8	-34	0	0	0	111.4	L208 F336 R337	L208-P221 HydrophobicContact CD1-CG 3.88Å; L208-P221 HydrophobicContact CD2-CG 3.48Å; L208-P221 VanDerWaalsContact CD2-CG 3.48Å; L208-P221 HydrophobicContact CG-CG 4.28Å; P221-F336 HydrophobicContact CB-CB 4.01Å; P221-F336 HydrophobicContact CG-CB 3.77Å; P221-F336 HydrophobicContact CG-CG 4.48Å; P221-R337 WeakPolarHBondContact CA-O 3.23Å; P221-R337 VanDerWaalsContact CB-C 3.41Å; P221-R337 WeakPolarHBondContact CB-O 3.39Å
222	D	94.9	Very high	93.3	Very high	35 Å²	35	47.3 Å²	47.3	19%	0.187	26%	0.264	C	S	.	.			trans	-127.7	4.5	-177.2	50.8	11.7	0	0	0	112.8	G180 F181 L200 R337 K338 I339	G180-D222 WeakPolarHBondContact CA-O 3.31Å; F181-D222 WeakPolarHBondContact CD2-O 3.49Å; F181-D222 HydrophobicContact CE2-CB 4.49Å; L200-D222 WeakPolarHBondContact CD1-O 3.32Å; D222-R337 PolarHBondContact N-O 2.84Å; D222-R337 VanDerWaalsContact N-O 3.08Å; D222-K338 WeakPolarHBondContact OD1-CA 3.49Å; D222-K338 WeakPolarHBondContact OD2-CD 3.21Å; D222-K338 WeakPolarHBondContact OD2-CE 3.31Å; D222-K338 IonicContact OD2-NZ 4Å; D222-K338 PolarHBondContact OD2-NZ 3.44Å; D222-I339 PolarHBondContact OD1-N 2.92Å
223	Q	95.8	Very high	92.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	136.3	169.7	-166.8	-79.4	-40.7	0	0	109.9	F181 T225 F245 F336 R337 I339	F181-Q223 HydrophobicContact CB-CG 4.1Å; Q223-T225 PolarHBondContact NE2-OG1 3.19Å; Q223-F245 HydrophobicContact CB-CE1 4.38Å; Q223-F245 HydrophobicContact CG-CE1 4.1Å; Q223-F336 WeakPolarHBondContact O-CA 3.35Å; Q223-R337 HydrophobicContact CB-CB 4.47Å; Q223-R337 PolarHBondContact N-O 2.98Å; Q223-R337 PolarHBondContact O-N 3.06Å; Q223-I339 HydrophobicContact CB-CD1 3.82Å; Q223-I339 HydrophobicContact CB-CG1 4.16Å; Q223-I339 HydrophobicContact CG-CD1 4.08Å
224	L	96.3	Very high	92.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	126.9	174.1	159.2	66.8	0	0	0	110.1	Y179 L200 P201 V226 F334 T335 F336	Y179-L224 HydrophobicContact CD2-CD2 3.95Å; Y179-L224 HydrophobicContact CD2-CG 4.19Å; Y179-L224 HydrophobicContact CG-CD2 4.22Å; Y179-L224 PolarHBondContact N-O 3.2Å; Y179-L224 PolarHBondContact O-N 3.35Å; L200-L224 HydrophobicContact CD1-CB 4.42Å; L200-L224 HydrophobicContact CD2-CB 4.26Å; L200-L224 HydrophobicContact CG-CB 4.03Å; P201-L224 HydrophobicContact CG-CD2 4.29Å; L224-V226 HydrophobicContact CD1-CG2 4.03Å; L224-V226 HydrophobicContact CD2-CG2 4.09Å; L224-V226 HydrophobicContact CG-CG2 4.04Å; L224-F334 HydrophobicContact CD1-CB 3.72Å; L224-F334 HydrophobicContact CD1-CD2 3.81Å; L224-F334 HydrophobicContact CD1-CG 4.09Å; L224-F334 HydrophobicContact CD2-CD2 3.81Å; L224-F334 HydrophobicContact CD2-CE2 4.22Å; L224-F334 HydrophobicContact CG-CD2 4.45Å; L224-T335 WeakPolarHBondContact CA-O 3.49Å; L224-F336 HydrophobicContact CB-CD1 4.03Å; L224-F336 HydrophobicContact CB-CE1 4.4Å; L224-F336 HydrophobicContact CD1-CD1 3.85Å; L224-F336 HydrophobicContact CD1-CE1 3.83Å; L224-F336 HydrophobicContact CD1-CG 4.26Å; L224-F336 HydrophobicContact CD1-CZ 4.23Å; L224-F336 HydrophobicContact CD2-CD1 4.4Å; L224-F336 HydrophobicContact CD2-CE1 3.92Å; L224-F336 HydrophobicContact CG-CD1 4.3Å; L224-F336 HydrophobicContact CG-CE1 4.26Å
225	T	95.2	Very high	92	Very high	5 Å²	5	35.7 Å²	35.7	3%	0.031	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	115.6	165.4	-55.3	0	0	0	0	109.5	V176 Q223 N227 T335 R337	V176-T225 HydrophobicContact CG1-CG2 3.46Å; V176-T225 VanDerWaalsContact CG1-CG2 3.46Å; Q223-T225 PolarHBondContact NE2-OG1 3.19Å; T225-N227 VanDerWaalsContact CG2-ND2 3.32Å; T225-N227 WeakPolarHBondContact CG2-ND2 3.38Å; T225-T335 PolarHBondContact N-O 2.7Å; T225-T335 PolarHBondContact O-N 3.48Å; T225-R337 PolarHBondContact OG1-NH1 3.49Å
226	V	95.8	Very high	91.5	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	120.6	168.8	-178.5	0	0	0	0	108.5	V159 W161 V176 K177 Y179 L224 T332 S333 F334	V159-V226 HydrophobicContact CG1-CG1 4.04Å; V159-V226 HydrophobicContact CG2-CG1 4.03Å; V159-V226 HydrophobicContact CG2-CG2 4.47Å; W161-V226 HydrophobicContact CH2-CG1 4.27Å; W161-V226 HydrophobicContact CZ2-CG1 4.16Å; V176-V226 CarbonylContact C-O 3.56Å; V176-V226 VanDerWaalsContact CA-O 3.27Å; V176-V226 WeakPolarHBondContact CA-O 3.22Å; V176-V226 WeakPolarHBondContact CG1-O 3.35Å; K177-V226 PolarHBondContact N-O 2.74Å; K177-V226 PolarHBondContact O-N 2.73Å; Y179-V226 HydrophobicContact CD2-CG2 4.12Å; Y179-V226 HydrophobicContact CE2-CG2 3.89Å; L224-V226 HydrophobicContact CD1-CG2 4.03Å; L224-V226 HydrophobicContact CD2-CG2 4.09Å; L224-V226 HydrophobicContact CG-CG2 4.04Å; V226-T332 HydrophobicContact CG1-CG2 3.62Å; V226-S333 WeakPolarHBondContact CA-O 3.38Å; V226-F334 HydrophobicContact CG1-CD1 4.34Å; V226-F334 HydrophobicContact CG1-CE1 4.12Å; V226-F334 HydrophobicContact CG2-CD1 4.33Å; V226-F334 HydrophobicContact CG2-CD2 3.95Å; V226-F334 HydrophobicContact CG2-CE1 4.29Å; V226-F334 HydrophobicContact CG2-CE2 3.93Å; V226-F334 HydrophobicContact CG2-CG 4.15Å; V226-F334 HydrophobicContact CG2-CZ 4.09Å
227	N	94.8	Very high	91.1	Very high	7 Å²	7	38.1 Å²	38.1	4%	0.037	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	130.6	173.8	-63.9	-94.7	0	0	0	109.8	R174 R175 V176 T225 Y229 T332 S333	R174-N227 PolarHBondContact NE-OD1 3.23Å; R174-N227 PolarHBondContact NH2-OD1 3.21Å; R175-N227 WeakPolarHBondContact O-CA 3.47Å; V176-N227 WeakPolarHBondContact CG2-OD1 3.19Å; T225-N227 VanDerWaalsContact CG2-ND2 3.32Å; T225-N227 WeakPolarHBondContact CG2-ND2 3.38Å; N227-Y229 HydrophobicContact CB-CD2 4.33Å; N227-Y229 HydrophobicContact CB-CE2 3.45Å; N227-Y229 VanDerWaalsContact CB-CE2 3.45Å; N227-T332 CarbonylContact O-C 3.57Å; N227-T332 WeakPolarHBondContact O-CA 3.29Å; N227-S333 PolarHBondContact N-O 3.49Å; N227-S333 PolarHBondContact O-N 3.39Å
228	Q	95.1	Very high	90.7	Very high	37 Å²	37	40.4 Å²	40.4	17%	0.173	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	130.3	172.7	177.1	176.8	94.1	0	0	111	W161 R175 T330 R331 T332	W161-Q228 HydrophobicContact CH2-CB 3.84Å; W161-Q228 HydrophobicContact CZ2-CB 3.6Å; W161-Q228 HydrophobicContact CZ2-CG 4.39Å; R175-Q228 HydrophobicContact CB-CB 4.26Å; R175-Q228 PolarHBondContact N-O 3.08Å; R175-Q228 PolarHBondContact O-N 3.16Å; Q228-T330 HydrophobicContact CG-CG2 4.02Å; Q228-R331 WeakPolarHBondContact CA-O 3.34Å; Q228-T332 HydrophobicContact CB-CG2 4.31Å; Q228-T332 PolarHBondContact NE2-OG1 2.8Å; Q228-T332 VanDerWaalsContact NE2-OG1 3.11Å
229	Y	92.5	Very high	90.6	Very high	16 Å²	16	36.2 Å²	36.2	6%	0.063	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	125.4	-172.3	-56.4	-93.1	0	0	0	110.4	R174 N227 Q233 I235 I294 T330 R331	R174-Y229 HydrophobicContact CB-CD1 4.08Å; R174-Y229 HydrophobicContact CB-CE1 4.28Å; R174-Y229 HydrophobicContact CG-CE1 4.44Å; N227-Y229 HydrophobicContact CB-CD2 4.33Å; N227-Y229 HydrophobicContact CB-CE2 3.45Å; N227-Y229 VanDerWaalsContact CB-CE2 3.45Å; Y229-Q233 HydrophobicContact CD1-CB 4.48Å; Y229-I235 HydrophobicContact CE1-CB 4.12Å; Y229-I235 HydrophobicContact CE1-CG2 4.42Å; Y229-I294 HydrophobicContact CE2-CD1 4.23Å; Y229-T330 CarbonylContact O-C 3.54Å; Y229-T330 WeakPolarHBondContact O-CA 3.18Å; Y229-R331 PolarHBondContact N-O 2.73Å; Y229-R331 PolarHBondContact O-N 3.45Å
230	E	91.5	Very high	90.5	Very high	114 Å²	114	32.5 Å²	32.5	53%	0.533	19%	0.187	S	C	.	.			trans	-84.8	167	168.3	-56	176.5	152.8	0	0	111.7	G232 Q233	E230-G232 PolarHBondContact O-N 3.25Å; E230-G232 VanDerWaalsContact O-N 3.14Å; E230-Q233 HydrophobicContact CB-CG 4.1Å; E230-Q233 VanDerWaalsContact O-CB 3.31Å; E230-Q233 WeakPolarHBondContact O-CB 3.46Å; E230-Q233 PolarHBondContact O-N 3.42Å; E230-Q233 PolarHBondContact OE2-NE2 2.75Å
231	S	88.3	Confident	90.2	Very high	43 Å²	43	30.8 Å²	30.8	30%	0.301	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	115.6	178.6	-161.3	0	0	0	0	112.2	R328	S231-R328 WeakPolarHBondContact CB-O 3.44Å; S231-R328 PolarHBondContact OG-O 2.97Å
232	G	82.1	Confident	90	Very high	29 Å²	29	30.2 Å²	30.2	30%	0.299	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.8	-14.2	-172.7	0	0	0	0	0	115	E230 P296 R297	E230-G232 PolarHBondContact O-N 3.25Å; E230-G232 VanDerWaalsContact O-N 3.14Å; G232-P296 WeakPolarHBondContact O-CB 3.24Å; G232-R297 WeakPolarHBondContact CA-O 3.41Å; G232-R297 PolarHBondContact N-O 3.42Å
233	Q	86.6	Confident	89.7	Confident	43 Å²	43	29.4 Å²	29.4	20%	0.201	17%	0.172	C	C	.	.			trans	-81.3	173.3	173.8	-60	-178.5	-2	0	0	111.7	H173 Y229 E230 R328	H173-Q233 WeakPolarHBondContact O-CB 3.37Å; H173-Q233 VanDerWaalsContact O-CG 3.3Å; H173-Q233 WeakPolarHBondContact O-CG 3.49Å; H173-Q233 PolarHBondContact O-OE1 3.44Å; Y229-Q233 HydrophobicContact CD1-CB 4.48Å; E230-Q233 HydrophobicContact CB-CG 4.1Å; E230-Q233 VanDerWaalsContact O-CB 3.31Å; E230-Q233 WeakPolarHBondContact O-CB 3.46Å; E230-Q233 PolarHBondContact O-N 3.42Å; E230-Q233 PolarHBondContact OE2-NE2 2.75Å; Q233-R328 PolarHBondContact O-NH1 2.89Å; Q233-R328 VanDerWaalsContact O-NH1 3.15Å
234	G	87.4	Confident	89.4	Confident	10 Å²	10	29.4 Å²	29.4	10%	0.103	17%	0.172	C	C	.	.			trans	-178.7	-171.6	-177.3	0	0	0	0	0	113.6	I294	G234-I294 CarbonylContact C-O 3.43Å; G234-I294 WeakPolarHBondContact CA-O 3.16Å
235	I	82.9	Confident	89.3	Confident	17 Å²	17	29.4 Å²	29.4	9%	0.087	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	133.9	175.2	-169.2	167.8	0	0	0	109.2	Y229 I294	Y229-I235 HydrophobicContact CE1-CB 4.12Å; Y229-I235 HydrophobicContact CE1-CG2 4.42Å; I235-I294 HydrophobicContact CG2-CB 4.04Å; I235-I294 HydrophobicContact CG2-CD1 4.36Å; I235-I294 HydrophobicContact CG2-CG1 4.11Å; I235-I294 PolarHBondContact N-O 3.47Å; I235-I294 CarbonylContact O-C 3.54Å; I235-I294 PolarHBondContact O-N 3.31Å
236	P	81.1	Confident	89.2	Confident	69 Å²	69	30.5 Å²	30.5	45%	0.448	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	157.4	177.8	-25.1	35.4	0	0	0	113.2	H238	P236-H238 PolarHBondContact O-N 2.96Å; P236-H238 PolarHBondContact O-ND1 3.14Å
237	P	81.9	Confident	89.1	Confident	68 Å²	68	32.8 Å²	32.8	44%	0.442	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	127.2	169	-22.9	34.5	0	0	0	111.4	H292	P237-H292 WeakPolarHBondContact CA-O 3.14Å
238	H	86.8	Confident	89.2	Confident	56 Å²	56	33.9 Å²	33.9	26%	0.259	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	160.2	179.3	60.9	-53.3	0	0	0	111	P236 D240 T291 H292	P236-H238 PolarHBondContact O-N 2.96Å; P236-H238 PolarHBondContact O-ND1 3.14Å; H238-D240 IonicContact CD2-OD1 2.69Å; H238-D240 IonicContact NE2-OD1 3.52Å; H238-T291 CarbonylContact O-C 3.51Å; H238-T291 VanDerWaalsContact O-CA 3.29Å; H238-T291 WeakPolarHBondContact O-CA 3.5Å; H238-H292 AromaticContact CE1-CE1 3.61Å; H238-H292 AromaticContact CE1-NE2 3.52Å; H238-H292 PolarHBondContact N-O 3.25Å; H238-H292 PolarHBondContact ND1-O 3.28Å; H238-H292 AromaticContact NE2-CE1 3.71Å; H238-H292 AromaticContact NE2-NE2 3.81Å; H238-H292 PolarHBondContact O-N 3.09Å; H238-H292 PolarHBondContact O-ND1 3.04Å
239	V	89.9	Confident	89.3	Confident	49 Å²	49	32.1 Å²	32.1	30%	0.297	19%	0.192	S	C	.	.			trans	-106.5	137.4	163.9	-171.2	0	0	0	0	106.7	R287 T291	V239-R287 VanDerWaalsContact CG1-O 3.31Å; V239-R287 WeakPolarHBondContact CG1-O 3.47Å; V239-T291 HydrophobicContact CG2-CG2 3.7Å
240	D	89.8	Confident	89.6	Confident	9 Å²	9	31.5 Å²	31.5	5%	0.048	19%	0.19	C	C	.	.			trans	-70.7	138.2	173.9	-81	9.5	0	0	0	109.8	H238 H242 F245 I249 R287 H292 R337	H238-D240 IonicContact CD2-OD1 2.69Å; H238-D240 IonicContact NE2-OD1 3.52Å; D240-H242 PolarHBondContact O-CD2 3.12Å; D240-H242 PolarHBondContact O-N 2.91Å; D240-F245 HydrophobicContact CB-CD2 4.26Å; D240-I249 HydrophobicContact CB-CD1 3.73Å; D240-I249 VanDerWaalsContact OD2-CD1 3.24Å; D240-I249 WeakPolarHBondContact OD2-CD1 3.4Å; D240-R287 PolarHBondContact O-NH2 3.24Å; D240-H292 IonicContact OD1-CE1 3.45Å; D240-R337 IonicContact OD1-NH2 3.48Å; D240-R337 IonicContact OD2-CZ 2.62Å; D240-R337 IonicContact OD2-NE 3.89Å; D240-R337 PolarHBondContact OD2-NE 3.35Å; D240-R337 IonicContact OD2-NH2 3.01Å; D240-R337 PolarHBondContact OD2-NH2 3.31Å
241	T	89.6	Confident	89.9	Confident	25 Å²	25	26.2 Å²	26.2	15%	0.153	17%	0.166	C	C	.	.			trans	-58.7	132.4	-171.2	-53.1	0	0	0	0	113.2	N188 A244 F245 R287	N188-T241 WeakPolarHBondContact O-CB 3.43Å; N188-T241 PolarHBondContact O-OG1 2.8Å; T241-A244 HydrophobicContact CG2-CB 4.13Å; T241-A244 PolarHBondContact O-N 3.35Å; T241-F245 PolarHBondContact O-N 2.9Å; T241-R287 PolarHBondContact O-NH2 2.96Å
242	H	91.5	Very high	90.4	Very high	3 Å²	3	24.2 Å²	24.2	1%	0.014	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-37.5	-171.4	-62.2	-160.4	0	0	0	111.1	D240 A244 Y288 R340 C344 C346 A351 C352 D353	D240-H242 PolarHBondContact O-CD2 3.12Å; D240-H242 PolarHBondContact O-N 2.91Å; H242-A244 VanDerWaalsContact C-N 3.27Å; H242-A244 PolarHBondContact O-N 3.26Å; H242-Y288 HydrophobicContact CB-CD1 4.49Å; H242-Y288 HydrophobicContact CB-CE1 4.44Å; H242-Y288 AromaticContact CD2-CD1 3.82Å; H242-Y288 AromaticContact CE1-CD1 3.84Å; H242-Y288 AromaticContact CG-CD1 3.67Å; H242-Y288 AromaticContact ND1-CD1 3.44Å; H242-Y288 WeakPolarHBondContact ND1-CD1 3.36Å; H242-Y288 VanDerWaalsContact NE2-CB 3.33Å; H242-Y288 WeakPolarHBondContact NE2-CB 3.41Å; H242-Y288 AromaticContact NE2-CD1 3.9Å; H242-Y288 PolarHBondContact NE2-O 3.47Å; H242-R340 WeakPolarHBondContact O-CD 3.3Å; H242-R340 PolarHBondContact O-NE 3.48Å; H242-C344 HydrophobicContact CB-CB 3.9Å; H242-C344 WeakPolarHBondContact O-CB 3.34Å; H242-C346 PolarHBondContact CE1-SG 3.28Å; H242-A351 WeakPolarHBondContact NE2-CB 3.43Å; H242-A351 PolarHBondContact NE2-O 3.35Å; H242-C352 WeakPolarHBondContact CE1-CA 3.22Å; H242-C352 WeakPolarHBondContact CE1-CB 3.21Å; H242-C352 PolarHBondContact CE1-SG 2.9Å; H242-C352 WeakPolarHBondContact ND1-CA 3.2Å; H242-C352 WeakPolarHBondContact ND1-CB 3.38Å; H242-C352 PolarHBondContact ND1-SG 2.94Å; H242-D353 WeakPolarHBondContact CA-OD1 3.47Å; H242-D353 WeakPolarHBondContact CB-OD1 3.33Å; H242-D353 IonicContact CG-OD1 3.62Å; H242-D353 PolarHBondContact N-OD1 2.83Å
243	S	89.4	Confident	91.2	Very high	17 Å²	17	22.8 Å²	22.8	12%	0.119	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-21.7	173.6	62.4	0	0	0	0	114.6	N189 K192 D353 S354	N189-S243 PolarHBondContact ND2-OG 3Å; N189-S243 VanDerWaalsContact ND2-OG 3.1Å; K192-S243 PolarHBondContact NZ-O 3.09Å; S243-D353 WeakPolarHBondContact CB-OD2 3.37Å; S243-D353 PolarHBondContact N-OD1 2.86Å; S243-D353 VanDerWaalsContact N-OD1 3.13Å; S243-D353 PolarHBondContact N-OD2 3.01Å; S243-D353 PolarHBondContact OG-OD2 3.28Å; S243-S354 WeakPolarHBondContact CB-OG 3.41Å
244	A	88.9	Confident	91.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-40.6	-176.2	0	0	0	0	0	112.2	N189 T241 H242 I339 R340	N189-A244 WeakPolarHBondContact OD1-CB 3.47Å; T241-A244 HydrophobicContact CG2-CB 4.13Å; T241-A244 PolarHBondContact O-N 3.35Å; H242-A244 VanDerWaalsContact C-N 3.27Å; H242-A244 PolarHBondContact O-N 3.26Å; A244-I339 WeakPolarHBondContact O-CA 3.3Å; A244-R340 PolarHBondContact O-N 3.16Å
245	F	93.9	Very high	92.1	Very high	1 Å²	1	22.3 Å²	22.3	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	144.9	-167.2	-54	-62.5	0	0	0	113.4	F183 V190 Q223 D240 T241 R337 K338 I339 R340	F183-F245 HydrophobicContact CD2-CE2 4.15Å; F183-F245 AromaticContact CD2-CZ 3.83Å; F183-F245 HydrophobicContact CD2-CZ 3.83Å; F183-F245 AromaticContact CE2-CE2 3.9Å; F183-F245 HydrophobicContact CE2-CE2 3.9Å; F183-F245 HydrophobicContact CE2-CZ 4.06Å; V190-F245 HydrophobicContact CG2-CE1 3.9Å; V190-F245 HydrophobicContact CG2-CZ 3.84Å; Q223-F245 HydrophobicContact CB-CE1 4.38Å; Q223-F245 HydrophobicContact CG-CE1 4.1Å; D240-F245 HydrophobicContact CB-CD2 4.26Å; T241-F245 PolarHBondContact O-N 2.9Å; F245-R337 HydrophobicContact CB-CB 4.47Å; F245-R337 HydrophobicContact CD1-CB 3.61Å; F245-R337 VanDerWaalsContact CD1-CD 3.44Å; F245-R337 HydrophobicContact CD1-CG 4.19Å; F245-R337 HydrophobicContact CE1-CB 4.02Å; F245-R337 VanDerWaalsContact CE1-CD 3.46Å; F245-R337 HydrophobicContact CE1-CG 4.38Å; F245-R337 HydrophobicContact CG-CB 4.13Å; F245-R337 VanDerWaalsContact CG-CD 3.47Å; F245-R337 HydrophobicContact CG-CG 4.41Å; F245-R337 VanDerWaalsContact CZ-CD 3.5Å; F245-K338 CarbonylContact C-O 3.4Å; F245-K338 WeakPolarHBondContact CA-O 3.44Å; F245-I339 HydrophobicContact CD1-CD1 3.94Å; F245-I339 HydrophobicContact CE1-CD1 3.7Å; F245-R340 PolarHBondContact O-NE 2.98Å; F245-R340 VanDerWaalsContact O-NE 3.14Å; F245-R340 PolarHBondContact O-NH2 2.96Å
246	A	93.9	Very high	92.6	Very high	27 Å²	27	21.9 Å²	21.9	22%	0.223	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	172.8	170.4	0	0	0	0	0	111.5	R287 K338	A246-R287 PolarHBondContact O-NH1 3.5Å; A246-K338 HydrophobicContact CB-CB 3.88Å; A246-K338 HydrophobicContact CB-CG 4.2Å; A246-K338 PolarHBondContact N-O 2.8Å
247	D	93.6	Very high	93.1	Very high	48 Å²	48	22.6 Å²	22.6	26%	0.257	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52	-64.4	-176.9	172.9	77.8	0	0	0	113.4	I249 K283 G284 R287 Y288	D247-I249 PolarHBondContact O-N 3.34Å; D247-K283 WeakPolarHBondContact OD2-CB 3.42Å; D247-G284 PolarHBondContact OD1-N 3.43Å; D247-R287 VanDerWaalsContact O-CG 3.29Å; D247-R287 WeakPolarHBondContact O-CG 3.03Å; D247-Y288 VanDerWaalsContact CA-OH 3.24Å; D247-Y288 WeakPolarHBondContact CA-OH 3.4Å; D247-Y288 HydrophobicContact CB-CE2 4.32Å; D247-Y288 WeakPolarHBondContact CB-OH 3.36Å; D247-Y288 PolarHBondContact N-OH 3.32Å; D247-Y288 WeakPolarHBondContact OD1-CE2 3.33Å
248	T	96.3	Very high	93.7	Very high	30 Å²	30	19.6 Å²	19.6	18%	0.184	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	127	-170.6	-50	0	0	0	0	112.3	I217 L250 V281 M282 K283	I217-T248 HydrophobicContact CG2-CG2 3.76Å; T248-L250 HydrophobicContact CG2-CD2 4.26Å; T248-V281 HydrophobicContact CG2-CG1 4.2Å; T248-M282 WeakPolarHBondContact CA-O 3.43Å; T248-K283 HydrophobicContact CG2-CD 4.31Å; T248-K283 VanDerWaalsContact CG2-CE 3.48Å; T248-K283 HydrophobicContact CG2-CG 3.92Å; T248-K283 WeakPolarHBondContact OG1-CE 3.34Å
249	I	97.8	Very high	94	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	135.5	167.7	-63.1	-174.2	0	0	0	109	D240 D247 M282 T335 R337	D240-I249 HydrophobicContact CB-CD1 3.73Å; D240-I249 VanDerWaalsContact OD2-CD1 3.24Å; D240-I249 WeakPolarHBondContact OD2-CD1 3.4Å; D247-I249 PolarHBondContact O-N 3.34Å; I249-M282 HydrophobicContact CB-CB 4.45Å; I249-M282 HydrophobicContact CB-CE 4.18Å; I249-M282 HydrophobicContact CG2-CE 3.71Å; I249-M282 PolarHBondContact N-O 2.7Å; I249-M282 PolarHBondContact O-N 3.02Å; I249-T335 HydrophobicContact CG2-CG2 3.71Å; I249-R337 HydrophobicContact CD1-CG 4.17Å; I249-R337 HydrophobicContact CG1-CG 4.07Å; I249-R337 HydrophobicContact CG2-CG 4.13Å
250	L	98.3	Very high	94.2	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.01	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	140.4	173.4	-58.2	179.8	0	0	0	109.5	L208 C211 I217 T248 L279 L280 V281 T335 F336	L208-L250 HydrophobicContact CD2-CD1 4.26Å; C211-L250 HydrophobicContact CB-CD1 3.89Å; I217-L250 HydrophobicContact CD1-CD1 4.41Å; I217-L250 HydrophobicContact CG2-CD1 3.76Å; I217-L250 HydrophobicContact CG2-CD2 4.1Å; I217-L250 HydrophobicContact CG2-CG 3.95Å; T248-L250 HydrophobicContact CG2-CD2 4.26Å; L250-L279 HydrophobicContact CB-CD1 4.21Å; L250-L279 HydrophobicContact CD2-CD2 4.38Å; L250-L280 CarbonylContact C-O 3.56Å; L250-L280 WeakPolarHBondContact CA-O 3.49Å; L250-V281 HydrophobicContact CD2-CB 4.32Å; L250-V281 HydrophobicContact CD2-CG1 4.03Å; L250-V281 HydrophobicContact CD2-CG2 3.86Å; L250-T335 CarbonylContact O-C 3.57Å; L250-T335 VanDerWaalsContact O-CA 3.25Å; L250-T335 WeakPolarHBondContact O-CA 3.43Å; L250-F336 HydrophobicContact CB-CB 4.27Å; L250-F336 HydrophobicContact CB-CD2 4.29Å; L250-F336 PolarHBondContact N-O 2.99Å; L250-F336 PolarHBondContact O-N 3.46Å
251	S	98.2	Very high	94.3	Very high	4 Å²	4	15.5 Å²	15.5	3%	0.028	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	95	176.3	-167.3	0	0	0	0	110.3	L280 F334 T335	S251-L280 PolarHBondContact N-O 3.04Å; S251-L280 WeakPolarHBondContact O-CB 3.23Å; S251-L280 PolarHBondContact O-N 2.82Å; S251-F334 WeakPolarHBondContact CA-O 3.46Å; S251-T335 PolarHBondContact OG-OG1 3.46Å
252	L	98.4	Very high	94.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	130.9	176.9	-176.3	71.7	0	0	0	109.6	F146 V147 L155 V207 L254 S278 L279 S333 F334 F336	F146-L252 HydrophobicContact CD1-CD1 4.32Å; V147-L252 HydrophobicContact CG1-CD1 4Å; V147-L252 HydrophobicContact CG1-CD2 4.23Å; V147-L252 HydrophobicContact CG2-CD1 4.16Å; L155-L252 HydrophobicContact CD1-CD2 3.68Å; V207-L252 HydrophobicContact CG1-CD2 4.37Å; L252-L254 HydrophobicContact CD2-CD1 4.27Å; L252-L254 HydrophobicContact CD2-CD2 4.04Å; L252-L254 HydrophobicContact CD2-CG 4.32Å; L252-L254 HydrophobicContact CG-CD2 3.97Å; L252-L254 HydrophobicContact CG-CG 4.24Å; L252-S278 WeakPolarHBondContact CA-O 3.42Å; L252-L279 HydrophobicContact CB-CD1 4.17Å; L252-L279 HydrophobicContact CD1-CB 4.38Å; L252-L279 HydrophobicContact CD1-CD1 4.28Å; L252-S333 CarbonylContact O-C 3.53Å; L252-S333 WeakPolarHBondContact O-CA 3.44Å; L252-S333 WeakPolarHBondContact O-CB 3.42Å; L252-F334 HydrophobicContact CB-CB 4.35Å; L252-F334 PolarHBondContact N-O 3.44Å; L252-F334 PolarHBondContact O-N 2.94Å; L252-F336 HydrophobicContact CB-CE2 4.39Å
253	S	98.1	Very high	94.1	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	122.2	-176.4	-62.6	0	0	0	0	111.1	P275 E276 R277 S278 R331	S253-P275 WeakPolarHBondContact CB-O 3.45Å; S253-E276 CarbonylContact O-C 3.49Å; S253-R277 WeakPolarHBondContact O-CA 3.48Å; S253-R277 PolarHBondContact O-N 3.21Å; S253-S278 PolarHBondContact N-O 3.49Å; S253-R331 PolarHBondContact OG-NH2 3.42Å
254	L	97.6	Very high	94	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	151.8	-172.7	-56.8	177.9	0	0	0	113	V147 E152 L155 L156 L252 A256 T332 F334	V147-L254 HydrophobicContact CG2-CD2 3.92Å; E152-L254 HydrophobicContact CB-CD2 4.06Å; E152-L254 HydrophobicContact CG-CB 4.33Å; E152-L254 HydrophobicContact CG-CD2 3.96Å; E152-L254 VanDerWaalsContact OE1-CA 3.24Å; E152-L254 WeakPolarHBondContact OE1-CA 3.22Å; L155-L254 HydrophobicContact CB-CD1 3.8Å; L155-L254 HydrophobicContact CD1-CD1 4.11Å; L156-L254 HydrophobicContact CD1-CB 4.46Å; L156-L254 HydrophobicContact CD2-CB 4.02Å; L156-L254 HydrophobicContact CD2-CD1 4.34Å; L156-L254 HydrophobicContact CG-CB 4.28Å; L156-L254 HydrophobicContact CG-CD1 4.26Å; L252-L254 HydrophobicContact CD2-CD1 4.27Å; L252-L254 HydrophobicContact CD2-CD2 4.04Å; L252-L254 HydrophobicContact CD2-CG 4.32Å; L252-L254 HydrophobicContact CG-CD2 3.97Å; L252-L254 HydrophobicContact CG-CG 4.24Å; L254-A256 PolarHBondContact O-N 3.43Å; L254-T332 PolarHBondContact N-O 2.9Å; L254-T332 PolarHBondContact O-N 3.12Å; L254-T332 VanDerWaalsContact O-O 3.08Å; L254-F334 HydrophobicContact CD1-CD1 3.94Å; L254-F334 HydrophobicContact CD1-CE1 3.91Å
255	G	95.6	Very high	93.4	Very high	42 Å²	42	24 Å²	24	43%	0.433	14%	0.139	S	C	.	.	S	Bend	trans	78.9	-32	168.9	0	0	0	0	0	116.3	E152 T330	E152-G255 PolarHBondContact OE1-N 3.34Å; G255-T330 CarbonylContact C-O 3.57Å
256	A	93.6	Very high	92.8	Very high	9 Å²	9	28.6 Å²	28.6	7%	0.074	16%	0.163	C	C	.	.	S	Bend	trans	-160.4	142.3	170.2	0	0	0	0	0	111.8	L254 T330 R331	L254-A256 PolarHBondContact O-N 3.43Å; A256-T330 WeakPolarHBondContact CB-O 3.44Å; A256-R331 HydrophobicContact CB-CB 4.31Å; A256-R331 WeakPolarHBondContact O-CB 3.47Å; A256-R331 WeakPolarHBondContact O-CD 3.44Å; A256-R331 VanDerWaalsContact O-CG 3.23Å; A256-R331 WeakPolarHBondContact O-CG 3.33Å
257	K	93	Very high	91.6	Very high	84 Å²	84	30.1 Å²	30.1	37%	0.365	18%	0.182	S	C	.	.			trans	-67.1	157	173.1	74.1	-179.9	-176.6	-178.8	0	113.5	L274 S326	K257-L274 CarbonylContact C-O 3.52Å; K257-L274 WeakPolarHBondContact CA-O 3.27Å; K257-L274 VanDerWaalsContact CB-O 3.32Å; K257-L274 WeakPolarHBondContact CB-O 3.41Å; K257-S326 WeakPolarHBondContact CE-OG 3.36Å
258	T	94.3	Very high	91	Very high	5 Å²	5	33.6 Å²	33.6	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	-178	171.5	-160	0	0	0	0	111.9	L274 I294 D300 R328 R331	T258-L274 PolarHBondContact N-O 2.95Å; T258-L274 PolarHBondContact O-N 3.46Å; T258-I294 HydrophobicContact CG2-CD1 4.18Å; T258-I294 HydrophobicContact CG2-CG2 4.37Å; T258-D300 WeakPolarHBondContact CA-OD2 3.38Å; T258-D300 PolarHBondContact OG1-OD2 3.13Å; T258-R328 VanDerWaalsContact OG1-CZ 3.3Å; T258-R328 PolarHBondContact OG1-NE 3.24Å; T258-R331 VanDerWaalsContact CG2-CD 3.4Å
259	V	93.4	Very high	90.3	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.018	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126	167.5	173.9	0	0	0	0	110.1	P271 V272 V273 D300 V302	V259-P271 HydrophobicContact CG1-CB 3.79Å; V259-V272 WeakPolarHBondContact CA-O 3.5Å; V259-V273 HydrophobicContact CG2-CG2 4.08Å; V259-D300 HydrophobicContact CB-CB 4.27Å; V259-D300 HydrophobicContact CG2-CB 3.74Å; V259-D300 PolarHBondContact N-OD2 2.89Å; V259-D300 VanDerWaalsContact N-OD2 3.1Å; V259-V302 HydrophobicContact CG2-CG1 4.16Å
260	M	94	Very high	89.6	Confident	7 Å²	7	35 Å²	35	3%	0.034	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	130.1	169.2	-177.5	173.5	-75.7	0	0	109	F262 V272 L274 L280 H292 G293 I294	M260-F262 HydrophobicContact CB-CE2 4.44Å; M260-F262 HydrophobicContact CG-CD2 4.28Å; M260-F262 HydrophobicContact CG-CE2 3.85Å; M260-F262 HydrophobicContact CG-CZ 4.5Å; M260-F262 HydrophobicContact SD-CE2 3.69Å; M260-F262 HydrophobicContact SD-CZ 3.84Å; M260-V272 PolarHBondContact N-O 3.23Å; M260-V272 PolarHBondContact O-N 3.2Å; M260-L274 HydrophobicContact CB-CD1 3.69Å; M260-L274 HydrophobicContact CB-CG 4.13Å; M260-L274 HydrophobicContact CE-CD1 3.86Å; M260-L274 HydrophobicContact SD-CD1 4.16Å; M260-L280 HydrophobicContact SD-CD2 3.77Å; M260-H292 HydrophobicContact CG-CB 4.41Å; M260-H292 HydrophobicContact SD-CB 4.11Å; M260-G293 CarbonylContact C-O 3.5Å; M260-G293 WeakPolarHBondContact CA-O 3.17Å; M260-G293 WeakPolarHBondContact CG-O 3.39Å; M260-I294 HydrophobicContact CB-CG1 4.37Å; M260-I294 HydrophobicContact CE-CD1 4.11Å; M260-I294 HydrophobicContact CE-CG1 4.05Å; M260-I294 HydrophobicContact CG-CG1 4.47Å
261	E	90.8	Very high	89.1	Confident	17 Å²	17	38.8 Å²	38.8	8%	0.079	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	113.8	178	-70.6	169.4	-144.6	0	0	109.5	R263 H292 G293 T295 R297	E261-R263 IonicContact OE2-CZ 3.96Å; E261-R263 IonicContact OE2-NE 2.68Å; E261-R263 IonicContact OE2-NH2 2.68Å; E261-R263 PolarHBondContact OE2-NH2 3.47Å; E261-H292 WeakPolarHBondContact O-CA 3.42Å; E261-G293 PolarHBondContact N-O 3.29Å; E261-G293 PolarHBondContact O-N 2.9Å; E261-G293 VanDerWaalsContact O-N 3.09Å; E261-T295 VanDerWaalsContact OE1-CB 3.31Å; E261-T295 WeakPolarHBondContact OE1-CB 3.05Å; E261-T295 PolarHBondContact OE1-OG1 3.22Å; E261-T295 PolarHBondContact OE2-OG1 3.44Å; E261-R297 IonicContact OE1-CZ 3.54Å; E261-R297 IonicContact OE1-NH1 3.52Å; E261-R297 PolarHBondContact OE1-NH1 3.05Å; E261-R297 IonicContact OE1-NH2 3.81Å; E261-R297 PolarHBondContact OE1-NH2 2.82Å
262	F	90.1	Very high	88.7	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	133.7	167.2	-75.6	-96.4	0	0	0	109.1	P137 L140 M260 V269 V270 V272 L280 M282 W290 T291 H292	P137-F262 HydrophobicContact CG-CB 3.99Å; P137-F262 HydrophobicContact CG-CD1 4.27Å; P137-F262 HydrophobicContact CG-CG 4.19Å; L140-F262 HydrophobicContact CD1-CE1 3.81Å; L140-F262 HydrophobicContact CD1-CE2 4.18Å; L140-F262 HydrophobicContact CD1-CZ 3.51Å; L140-F262 HydrophobicContact CD2-CD2 4.09Å; L140-F262 HydrophobicContact CD2-CE1 4.32Å; L140-F262 HydrophobicContact CD2-CE2 3.8Å; L140-F262 HydrophobicContact CD2-CG 4.48Å; L140-F262 HydrophobicContact CD2-CZ 3.93Å; L140-F262 HydrophobicContact CG-CZ 4.42Å; M260-F262 HydrophobicContact CB-CE2 4.44Å; M260-F262 HydrophobicContact CG-CD2 4.28Å; M260-F262 HydrophobicContact CG-CE2 3.85Å; M260-F262 HydrophobicContact CG-CZ 4.5Å; M260-F262 HydrophobicContact SD-CE2 3.69Å; M260-F262 HydrophobicContact SD-CZ 3.84Å; F262-V269 CarbonylContact O-C 3.57Å; F262-V269 VanDerWaalsContact O-CA 3.3Å; F262-V269 WeakPolarHBondContact O-CA 3.44Å; F262-V270 HydrophobicContact CB-CB 4.37Å; F262-V270 PolarHBondContact N-O 3.03Å; F262-V270 PolarHBondContact O-N 3.14Å; F262-V272 HydrophobicContact CD2-CB 4.29Å; F262-V272 HydrophobicContact CD2-CG2 3.73Å; F262-V272 HydrophobicContact CE2-CB 4.38Å; F262-V272 HydrophobicContact CE2-CG2 4.14Å; F262-L280 HydrophobicContact CE2-CD2 4.23Å; F262-L280 HydrophobicContact CZ-CD2 4.02Å; F262-M282 HydrophobicContact CE1-CG 4.3Å; F262-M282 HydrophobicContact CE1-SD 3.89Å; F262-M282 HydrophobicContact CZ-CG 4.27Å; F262-M282 HydrophobicContact CZ-SD 3.85Å; F262-W290 HydrophobicContact CB-CE3 3.81Å; F262-W290 HydrophobicContact CB-CZ3 4.4Å; F262-W290 HydrophobicContact CD1-CB 4.06Å; F262-T291 CarbonylContact C-O 3.57Å; F262-T291 VanDerWaalsContact CA-O 3.31Å; F262-T291 WeakPolarHBondContact CA-O 3.36Å; F262-H292 HydrophobicContact CD1-CB 3.9Å; F262-H292 HydrophobicContact CE1-CB 3.65Å; F262-H292 HydrophobicContact CE2-CB 4.49Å; F262-H292 HydrophobicContact CG-CB 4.42Å; F262-H292 HydrophobicContact CZ-CB 3.96Å
263	R	86.4	Confident	88.4	Confident	86 Å²	86	40.6 Å²	40.6	33%	0.325	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	122.3	-178.9	-49.3	171.4	161.6	-94	-5.5	110.3	E261 R268 V269 T291	E261-R263 IonicContact OE2-CZ 3.96Å; E261-R263 IonicContact OE2-NE 2.68Å; E261-R263 IonicContact OE2-NH2 2.68Å; E261-R263 PolarHBondContact OE2-NH2 3.47Å; R263-R268 WeakPolarHBondContact CA-O 3.36Å; R263-V269 HydrophobicContact CB-CG2 4.38Å; R263-V269 HydrophobicContact CG-CG1 4.09Å; R263-V269 HydrophobicContact CG-CG2 4.04Å; R263-T291 WeakPolarHBondContact CB-OG1 3.36Å; R263-T291 PolarHBondContact N-O 3.46Å; R263-T291 PolarHBondContact O-N 3.23Å; R263-T291 PolarHBondContact O-OG1 3.09Å
264	H	87.9	Confident	88.2	Confident	32 Å²	32	40.6 Å²	40.6	15%	0.148	24%	0.235	C	C	.	.			trans	-92.9	151.1	179.3	-170.7	-104.7	0	0	0	110.9	D266 G267 R268 V289 W290	H264-D266 IonicContact CE1-OD2 2.81Å; H264-D266 PolarHBondContact CE1-OD2 2.95Å; H264-D266 IonicContact CG-OD1 2.94Å; H264-D266 PolarHBondContact ND1-N 3.43Å; H264-D266 IonicContact ND1-OD1 2.99Å; H264-D266 PolarHBondContact ND1-OD1 3.21Å; H264-D266 IonicContact ND1-OD2 3.71Å; H264-D266 PolarHBondContact ND1-OD2 3.38Å; H264-D266 PolarHBondContact O-N 2.94Å; H264-D266 VanDerWaalsContact O-N 3.12Å; H264-G267 PolarHBondContact O-N 3.15Å; H264-R268 HydrophobicContact CB-CB 4.18Å; H264-R268 PolarHBondContact CE1-NH2 3.45Å; H264-R268 PolarHBondContact N-O 2.83Å; H264-R268 PolarHBondContact ND1-NH2 2.84Å; H264-V289 WeakPolarHBondContact NE2-CG1 3.49Å; H264-W290 HydrophobicContact CB-CD2 3.7Å; H264-W290 HydrophobicContact CB-CE3 3.63Å; H264-W290 HydrophobicContact CB-CG 4.47Å; H264-W290 HydrophobicContact CB-CH2 3.71Å; H264-W290 HydrophobicContact CB-CZ2 3.77Å; H264-W290 HydrophobicContact CB-CZ3 3.61Å; H264-W290 AromaticContact CD2-CD1 3.84Å; H264-W290 AromaticContact CD2-CE2 3.7Å; H264-W290 AromaticContact CD2-NE1 3.49Å; H264-W290 PolarHBondContact CD2-NE1 3.48Å; H264-W290 AromaticContact CG-CE2 3.95Å
265	P	77.3	Confident	88	Confident	107 Å²	107	41.6 Å²	41.6	70%	0.695	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-18.7	-179	-28	37.6	0	0	0	116.3	G267 V289	P265-G267 VanDerWaalsContact C-N 3.25Å; P265-G267 PolarHBondContact O-N 3.02Å; P265-V289 HydrophobicContact CG-CG1 4.14Å
266	D	80.3	Confident	87.9	Confident	96 Å²	96	43 Å²	43	51%	0.513	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-2.5	173.1	66.3	9.9	0	0	0	114.2	H264 R268	H264-D266 IonicContact CE1-OD2 2.81Å; H264-D266 PolarHBondContact CE1-OD2 2.95Å; H264-D266 IonicContact CG-OD1 2.94Å; H264-D266 PolarHBondContact ND1-N 3.43Å; H264-D266 IonicContact ND1-OD1 2.99Å; H264-D266 PolarHBondContact ND1-OD1 3.21Å; H264-D266 IonicContact ND1-OD2 3.71Å; H264-D266 PolarHBondContact ND1-OD2 3.38Å; H264-D266 PolarHBondContact O-N 2.94Å; H264-D266 VanDerWaalsContact O-N 3.12Å; D266-R268 WeakPolarHBondContact OD1-CB 3.42Å; D266-R268 WeakPolarHBondContact OD1-CG 3.34Å; D266-R268 PolarHBondContact OD1-N 3.05Å; D266-R268 IonicContact OD1-NE 3.82Å; D266-R268 PolarHBondContact OD1-NE 3.02Å; D266-R268 IonicContact OD2-CZ 3.41Å; D266-R268 VanDerWaalsContact OD2-CZ 3.24Å; D266-R268 IonicContact OD2-NE 2.66Å; D266-R268 PolarHBondContact OD2-NE 3.13Å; D266-R268 IonicContact OD2-NH2 3.74Å; D266-R268 PolarHBondContact OD2-NH2 3.08Å
267	G	68.5	Low	88.1	Confident	60 Å²	60	44.5 Å²	44.5	62%	0.619	24%	0.241	S	C	*	.	S	Bend	trans	96.6	-2.8	-179.5	0	0	0	0	0	115.2	H264 P265	H264-G267 PolarHBondContact O-N 3.15Å; P265-G267 VanDerWaalsContact C-N 3.25Å; P265-G267 PolarHBondContact O-N 3.02Å
268	R	82.3	Confident	88.3	Confident	120 Å²	120	40.5 Å²	40.5	45%	0.453	22%	0.223	S	C	.	.			trans	-61.7	138	169.7	-73.5	-179.8	-75.2	152.3	-1.4	110.8	R263 H264 D266 W290	R263-R268 WeakPolarHBondContact CA-O 3.36Å; H264-R268 HydrophobicContact CB-CB 4.18Å; H264-R268 PolarHBondContact CE1-NH2 3.45Å; H264-R268 PolarHBondContact N-O 2.83Å; H264-R268 PolarHBondContact ND1-NH2 2.84Å; D266-R268 WeakPolarHBondContact OD1-CB 3.42Å; D266-R268 WeakPolarHBondContact OD1-CG 3.34Å; D266-R268 PolarHBondContact OD1-N 3.05Å; D266-R268 IonicContact OD1-NE 3.82Å; D266-R268 PolarHBondContact OD1-NE 3.02Å; D266-R268 IonicContact OD2-CZ 3.41Å; D266-R268 VanDerWaalsContact OD2-CZ 3.24Å; D266-R268 IonicContact OD2-NE 2.66Å; D266-R268 PolarHBondContact OD2-NE 3.13Å; D266-R268 IonicContact OD2-NH2 3.74Å; D266-R268 PolarHBondContact OD2-NH2 3.08Å; R268-W290 HydrophobicContact CB-CH2 3.78Å; R268-W290 HydrophobicContact CB-CZ3 4.21Å
269	V	80.3	Confident	88.5	Confident	57 Å²	57	40.3 Å²	40.3	35%	0.345	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	125	176.5	-179.2	0	0	0	0	109.5	F262 R263	F262-V269 CarbonylContact O-C 3.57Å; F262-V269 VanDerWaalsContact O-CA 3.3Å; F262-V269 WeakPolarHBondContact O-CA 3.44Å; R263-V269 HydrophobicContact CB-CG2 4.38Å; R263-V269 HydrophobicContact CG-CG1 4.09Å; R263-V269 HydrophobicContact CG-CG2 4.04Å
270	V	84.4	Confident	88.8	Confident	4 Å²	4	40.1 Å²	40.1	2%	0.024	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	110	175.6	-164.3	0	0	0	0	109.4	V134 F136 P137 F262 V272 W290	V134-V270 HydrophobicContact CG1-CB 4.16Å; V134-V270 HydrophobicContact CG1-CG1 3.96Å; V134-V270 HydrophobicContact CG1-CG2 3.57Å; F136-V270 HydrophobicContact CD1-CG1 4.36Å; P137-V270 HydrophobicContact CG-CG2 4.17Å; F262-V270 HydrophobicContact CB-CB 4.37Å; F262-V270 PolarHBondContact N-O 3.03Å; F262-V270 PolarHBondContact O-N 3.14Å; V270-V272 HydrophobicContact CG1-CG2 4.04Å; V270-V272 PolarHBondContact O-N 3.29Å; V270-W290 HydrophobicContact CG2-CH2 3.69Å; V270-W290 HydrophobicContact CG2-CZ3 3.63Å
271	P	86.1	Confident	88.9	Confident	82 Å²	82	40.2 Å²	40.2	53%	0.532	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	108	170.1	30.9	-30.1	0	0	0	109.7	V259	V259-P271 HydrophobicContact CG1-CB 3.79Å
272	V	90.1	Very high	89.3	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	119.8	178.8	-177.3	0	0	0	0	109.1	F136 L140 L142 V259 M260 F262 V270 L274	F136-V272 HydrophobicContact CD1-CG2 4.16Å; F136-V272 HydrophobicContact CE1-CG1 4.16Å; F136-V272 HydrophobicContact CE1-CG2 4.1Å; F136-V272 HydrophobicContact CZ-CG1 4.13Å; L140-V272 HydrophobicContact CD2-CG2 3.95Å; L142-V272 HydrophobicContact CD2-CG1 4.44Å; V259-V272 WeakPolarHBondContact CA-O 3.5Å; M260-V272 PolarHBondContact N-O 3.23Å; M260-V272 PolarHBondContact O-N 3.2Å; F262-V272 HydrophobicContact CD2-CB 4.29Å; F262-V272 HydrophobicContact CD2-CG2 3.73Å; F262-V272 HydrophobicContact CE2-CB 4.38Å; F262-V272 HydrophobicContact CE2-CG2 4.14Å; V270-V272 HydrophobicContact CG1-CG2 4.04Å; V270-V272 PolarHBondContact O-N 3.29Å; V272-L274 HydrophobicContact CG1-CD2 3.9Å
273	V	91.6	Very high	89.5	Confident	40 Å²	40	42.2 Å²	42.2	24%	0.242	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	129	169.9	-173.6	0	0	0	0	108.1	L142 V259 P275 V302	L142-V273 VanDerWaalsContact CD2-O 3.24Å; L142-V273 WeakPolarHBondContact CD2-O 3.32Å; V259-V273 HydrophobicContact CG2-CG2 4.08Å; V273-P275 WeakPolarHBondContact O-CD 3.48Å; V273-V302 HydrophobicContact CG1-CG1 4.36Å; V273-V302 HydrophobicContact CG2-CG1 4.21Å
274	L	94.9	Very high	89.9	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	101.5	173.5	-56.9	-176.5	0	0	0	108.3	L142 K257 T258 M260 V272 L280	L142-L274 HydrophobicContact CD1-CD2 3.9Å; K257-L274 CarbonylContact C-O 3.52Å; K257-L274 WeakPolarHBondContact CA-O 3.27Å; K257-L274 VanDerWaalsContact CB-O 3.32Å; K257-L274 WeakPolarHBondContact CB-O 3.41Å; T258-L274 PolarHBondContact N-O 2.95Å; T258-L274 PolarHBondContact O-N 3.46Å; M260-L274 HydrophobicContact CB-CD1 3.69Å; M260-L274 HydrophobicContact CB-CG 4.13Å; M260-L274 HydrophobicContact CE-CD1 3.86Å; M260-L274 HydrophobicContact SD-CD1 4.16Å; V272-L274 HydrophobicContact CG1-CD2 3.9Å; L274-L280 HydrophobicContact CD1-CD2 4.15Å; L274-L280 HydrophobicContact CD2-CB 4.21Å; L274-L280 HydrophobicContact CD2-CD1 3.77Å; L274-L280 HydrophobicContact CD2-CD2 3.88Å; L274-L280 HydrophobicContact CD2-CG 4.19Å
275	P	93.9	Very high	90.2	Very high	22 Å²	22	39.8 Å²	39.8	14%	0.143	23%	0.229	C	C	.	.			trans	-57.9	159.7	170.9	-23.4	33.4	0	0	0	113	E144 S253 V273 S278	E144-P275 HydrophobicContact CG-CG 4.23Å; E144-P275 WeakPolarHBondContact OE1-CG 3.37Å; S253-P275 WeakPolarHBondContact CB-O 3.45Å; V273-P275 WeakPolarHBondContact O-CD 3.48Å; P275-S278 WeakPolarHBondContact CD-OG 3.32Å; P275-S278 WeakPolarHBondContact O-CB 3.43Å; P275-S278 PolarHBondContact O-OG 3.14Å
276	E	93.7	Very high	90.9	Very high	71 Å²	71	34.7 Å²	34.7	33%	0.332	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	154	153.9	55.2	-168.5	-116.7	0	0	110.7	S253 S278	S253-E276 CarbonylContact O-C 3.49Å; E276-S278 PolarHBondContact O-N 3.11Å
277	R	97.5	Very high	91.6	Very high	40 Å²	40	30.4 Å²	30.4	15%	0.151	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	3	-172.8	-62.6	171.8	-61.8	-75.2	-4.5	116.9	D145 F146 V147 E152 S253	D145-R277 IonicContact OD1-NE 3.28Å; D145-R277 PolarHBondContact OD1-NE 2.73Å; D145-R277 IonicContact OD1-NH2 2.71Å; F146-R277 PolarHBondContact N-O 3.45Å; V147-R277 HydrophobicContact CG2-CB 3.93Å; V147-R277 HydrophobicContact CG2-CG 3.99Å; V147-R277 PolarHBondContact N-O 3.33Å; V147-R277 WeakPolarHBondContact O-CB 3.42Å; V147-R277 VanDerWaalsContact O-CD 3.29Å; V147-R277 WeakPolarHBondContact O-CD 3.39Å; V147-R277 WeakPolarHBondContact O-CG 3.46Å; E152-R277 HydrophobicContact CB-CG 4.08Å; E152-R277 HydrophobicContact CG-CG 4.41Å; E152-R277 WeakPolarHBondContact OE2-CD 3.12Å; E152-R277 WeakPolarHBondContact OE2-CG 3.24Å; E152-R277 IonicContact OE2-CZ 2.76Å; E152-R277 IonicContact OE2-NH1 3.43Å; E152-R277 PolarHBondContact OE2-NH1 3.29Å; S253-R277 WeakPolarHBondContact O-CA 3.48Å; S253-R277 PolarHBondContact O-N 3.21Å
278	S	97.8	Very high	92.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	143.8	-177.9	70.8	0	0	0	0	113.7	V143 L252 S253 P275 E276	V143-S278 CarbonylContact O-C 3.58Å; V143-S278 WeakPolarHBondContact O-CA 3.34Å; V143-S278 WeakPolarHBondContact O-CB 3.39Å; L252-S278 WeakPolarHBondContact CA-O 3.42Å; S253-S278 PolarHBondContact N-O 3.49Å; P275-S278 WeakPolarHBondContact CD-OG 3.32Å; P275-S278 WeakPolarHBondContact O-CB 3.43Å; P275-S278 PolarHBondContact O-OG 3.14Å; E276-S278 PolarHBondContact O-N 3.11Å
279	L	98.1	Very high	93.2	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	118.5	171.5	-175.6	77.7	0	0	0	110.2	V143 F146 L250 L252 V281	V143-L279 HydrophobicContact CB-CB 4.42Å; V143-L279 PolarHBondContact N-O 2.68Å; V143-L279 PolarHBondContact O-N 3.23Å; F146-L279 HydrophobicContact CB-CB 3.86Å; F146-L279 HydrophobicContact CD1-CB 3.68Å; F146-L279 HydrophobicContact CD1-CD1 4.33Å; F146-L279 HydrophobicContact CD1-CD2 3.94Å; F146-L279 HydrophobicContact CD1-CG 4.2Å; F146-L279 HydrophobicContact CD2-CB 4.42Å; F146-L279 HydrophobicContact CD2-CD2 4.31Å; F146-L279 HydrophobicContact CE1-CB 4.35Å; F146-L279 HydrophobicContact CE1-CD1 4.39Å; F146-L279 HydrophobicContact CE1-CD2 3.75Å; F146-L279 HydrophobicContact CE1-CG 4.39Å; F146-L279 HydrophobicContact CE2-CD2 4.14Å; F146-L279 HydrophobicContact CG-CB 3.71Å; F146-L279 HydrophobicContact CG-CD2 4.21Å; F146-L279 HydrophobicContact CZ-CD2 3.86Å; L250-L279 HydrophobicContact CB-CD1 4.21Å; L250-L279 HydrophobicContact CD2-CD2 4.38Å; L252-L279 HydrophobicContact CB-CD1 4.17Å; L252-L279 HydrophobicContact CD1-CB 4.38Å; L252-L279 HydrophobicContact CD1-CD1 4.28Å; L279-V281 HydrophobicContact CD2-CG2 3.85Å; L279-V281 HydrophobicContact CG-CG2 4.12Å
280	L	98.2	Very high	93.8	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	128.3	168.3	-172.8	71.2	0	0	0	109.7	L140 L142 L250 S251 M260 F262 L274 M282	L140-L280 HydrophobicContact CD1-CD1 3.86Å; L140-L280 HydrophobicContact CD1-CG 4.18Å; L140-L280 HydrophobicContact CD2-CD1 4.34Å; L140-L280 HydrophobicContact CG-CD1 4.11Å; L142-L280 HydrophobicContact CB-CD1 4.34Å; L142-L280 HydrophobicContact CD1-CB 4.41Å; L142-L280 HydrophobicContact CD1-CD1 4.15Å; L250-L280 CarbonylContact C-O 3.56Å; L250-L280 WeakPolarHBondContact CA-O 3.49Å; S251-L280 PolarHBondContact N-O 3.04Å; S251-L280 WeakPolarHBondContact O-CB 3.23Å; S251-L280 PolarHBondContact O-N 2.82Å; M260-L280 HydrophobicContact SD-CD2 3.77Å; F262-L280 HydrophobicContact CE2-CD2 4.23Å; F262-L280 HydrophobicContact CZ-CD2 4.02Å; L274-L280 HydrophobicContact CD1-CD2 4.15Å; L274-L280 HydrophobicContact CD2-CB 4.21Å; L274-L280 HydrophobicContact CD2-CD1 3.77Å; L274-L280 HydrophobicContact CD2-CD2 3.88Å; L274-L280 HydrophobicContact CD2-CG 4.19Å; L280-M282 HydrophobicContact CD2-CE 4.45Å
281	V	97.7	Very high	94.2	Very high	8 Å²	8	22.8 Å²	22.8	5%	0.048	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	122.8	179.2	-174.6	0	0	0	0	108.7	L140 A141 H216 T248 L250 L279 K283	L140-V281 WeakPolarHBondContact CA-O 3.47Å; A141-V281 HydrophobicContact CB-CB 4.36Å; A141-V281 PolarHBondContact N-O 3.24Å; A141-V281 PolarHBondContact O-N 3.02Å; H216-V281 HydrophobicContact CB-CG2 4.41Å; T248-V281 HydrophobicContact CG2-CG1 4.2Å; L250-V281 HydrophobicContact CD2-CB 4.32Å; L250-V281 HydrophobicContact CD2-CG1 4.03Å; L250-V281 HydrophobicContact CD2-CG2 3.86Å; L279-V281 HydrophobicContact CD2-CG2 3.85Å; L279-V281 HydrophobicContact CG-CG2 4.12Å; V281-K283 HydrophobicContact CG1-CG 4.32Å
282	M	97.8	Very high	94.5	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.015	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	124.7	177.3	-72.2	170.1	-72.9	0	0	110.1	L140 T248 I249 F262 L280 R287	L140-M282 HydrophobicContact CD1-CB 4.42Å; L140-M282 HydrophobicContact CD1-CG 3.37Å; T248-M282 WeakPolarHBondContact CA-O 3.43Å; I249-M282 HydrophobicContact CB-CB 4.45Å; I249-M282 HydrophobicContact CB-CE 4.18Å; I249-M282 HydrophobicContact CG2-CE 3.71Å; I249-M282 PolarHBondContact N-O 2.7Å; I249-M282 PolarHBondContact O-N 3.02Å; F262-M282 HydrophobicContact CE1-CG 4.3Å; F262-M282 HydrophobicContact CE1-SD 3.89Å; F262-M282 HydrophobicContact CZ-CG 4.27Å; F262-M282 HydrophobicContact CZ-SD 3.85Å; L280-M282 HydrophobicContact CD2-CE 4.45Å; M282-R287 HydrophobicContact CB-CB 4.39Å
283	K	95.1	Very high	94.5	Very high	56 Å²	56	19.8 Å²	19.8	24%	0.243	11%	0.105	C	C	.	.			trans	-139.1	160.4	175.1	-60.7	-175.4	-178.7	179.8	0	109.8	G139 G215 H216 D247 T248 V281 E285 S286	G139-K283 CarbonylContact C-O 3.27Å; G139-K283 WeakPolarHBondContact CA-O 3.15Å; G139-K283 PolarHBondContact O-N 3.45Å; G215-K283 PolarHBondContact O-NZ 2.82Å; H216-K283 WeakPolarHBondContact O-CE 3.47Å; H216-K283 PolarHBondContact O-NZ 2.78Å; D247-K283 WeakPolarHBondContact OD2-CB 3.42Å; T248-K283 HydrophobicContact CG2-CD 4.31Å; T248-K283 VanDerWaalsContact CG2-CE 3.48Å; T248-K283 HydrophobicContact CG2-CG 3.92Å; T248-K283 WeakPolarHBondContact OG1-CE 3.34Å; V281-K283 HydrophobicContact CG1-CG 4.32Å; K283-E285 PolarHBondContact O-N 2.95Å; K283-S286 PolarHBondContact N-OG 3.26Å; K283-S286 PolarHBondContact O-N 3.36Å; K283-S286 PolarHBondContact O-OG 3.3Å
284	G	94.3	Very high	94.4	Very high	22 Å²	22	18.1 Å²	18.1	23%	0.227	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	-130.8	168.2	0	0	0	0	0	114.2	D247 S286 R287 Y288	D247-G284 PolarHBondContact OD1-N 3.43Å; G284-S286 PolarHBondContact O-N 3Å; G284-R287 WeakPolarHBondContact O-CB 3.36Å; G284-R287 PolarHBondContact O-N 2.99Å; G284-R287 VanDerWaalsContact O-N 3.13Å; G284-Y288 VanDerWaalsContact O-CD2 3.22Å; G284-Y288 WeakPolarHBondContact O-CD2 3.19Å; G284-Y288 PolarHBondContact O-N 2.62Å
285	E	93.8	Very high	93.9	Very high	45 Å²	45	19.4 Å²	19.4	21%	0.21	10%	0.102	C	C	.	.	H	α-helix	trans	-58.3	-46	-176.7	-164.2	-172.4	95.3	0	0	111.7	E138 K283 R287 Y288 V289 W290 F348	E138-E285 HydrophobicContact CB-CB 4.23Å; K283-E285 PolarHBondContact O-N 2.95Å; E285-R287 PolarHBondContact O-N 3.04Å; E285-R287 VanDerWaalsContact O-N 3.09Å; E285-Y288 PolarHBondContact O-N 3.28Å; E285-V289 HydrophobicContact CG-CB 3.95Å; E285-V289 HydrophobicContact CG-CG2 3.94Å; E285-V289 PolarHBondContact O-N 3.03Å; E285-W290 PolarHBondContact O-N 3.2Å; E285-W290 PolarHBondContact OE1-NE1 3.16Å; E285-F348 HydrophobicContact CB-CE1 4.35Å; E285-F348 HydrophobicContact CB-CZ 3.96Å; E285-F348 HydrophobicContact CG-CE1 4.25Å; E285-F348 HydrophobicContact CG-CZ 4.34Å
286	S	93.9	Very high	93.3	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.007	10%	0.103	C	C	.	.	H	α-helix	trans	-58.3	-23.6	178.7	75.1	0	0	0	0	114.3	E138 G139 L140 K283 G284	E138-S286 WeakPolarHBondContact O-CB 3.09Å; E138-S286 PolarHBondContact O-N 2.92Å; G139-S286 PolarHBondContact O-OG 2.85Å; L140-S286 PolarHBondContact N-OG 3.22Å; K283-S286 PolarHBondContact N-OG 3.26Å; K283-S286 PolarHBondContact O-N 3.36Å; K283-S286 PolarHBondContact O-OG 3.3Å; G284-S286 PolarHBondContact O-N 3Å
287	R	94.8	Very high	92.8	Very high	5 Å²	5	19.5 Å²	19.5	2%	0.019	10%	0.1	C	C	.	.	H	α-helix	trans	-89.8	-44.9	176.9	161.3	62.3	-145.1	-84.2	-2.4	112.9	V239 D240 T241 A246 D247 M282 G284 E285	V239-R287 VanDerWaalsContact CG1-O 3.31Å; V239-R287 WeakPolarHBondContact CG1-O 3.47Å; D240-R287 PolarHBondContact O-NH2 3.24Å; T241-R287 PolarHBondContact O-NH2 2.96Å; A246-R287 PolarHBondContact O-NH1 3.5Å; D247-R287 VanDerWaalsContact O-CG 3.29Å; D247-R287 WeakPolarHBondContact O-CG 3.03Å; M282-R287 HydrophobicContact CB-CB 4.39Å; G284-R287 WeakPolarHBondContact O-CB 3.36Å; G284-R287 PolarHBondContact O-N 2.99Å; G284-R287 VanDerWaalsContact O-N 3.13Å; E285-R287 PolarHBondContact O-N 3.04Å; E285-R287 VanDerWaalsContact O-N 3.09Å
288	Y	92.8	Very high	92.2	Very high	14 Å²	14	23 Å²	23	6%	0.055	12%	0.117	C	C	.	.	H	α-helix	trans	-102	-15.8	-164.5	-68.3	-59.7	0	0	0	114.5	H242 D247 G284 E285 R340 C346 F348 A351	H242-Y288 HydrophobicContact CB-CD1 4.49Å; H242-Y288 HydrophobicContact CB-CE1 4.44Å; H242-Y288 AromaticContact CD2-CD1 3.82Å; H242-Y288 AromaticContact CE1-CD1 3.84Å; H242-Y288 AromaticContact CG-CD1 3.67Å; H242-Y288 AromaticContact ND1-CD1 3.44Å; H242-Y288 WeakPolarHBondContact ND1-CD1 3.36Å; H242-Y288 VanDerWaalsContact NE2-CB 3.33Å; H242-Y288 WeakPolarHBondContact NE2-CB 3.41Å; H242-Y288 AromaticContact NE2-CD1 3.9Å; H242-Y288 PolarHBondContact NE2-O 3.47Å; D247-Y288 VanDerWaalsContact CA-OH 3.24Å; D247-Y288 WeakPolarHBondContact CA-OH 3.4Å; D247-Y288 HydrophobicContact CB-CE2 4.32Å; D247-Y288 WeakPolarHBondContact CB-OH 3.36Å; D247-Y288 PolarHBondContact N-OH 3.32Å; D247-Y288 WeakPolarHBondContact OD1-CE2 3.33Å; G284-Y288 VanDerWaalsContact O-CD2 3.22Å; G284-Y288 WeakPolarHBondContact O-CD2 3.19Å; G284-Y288 PolarHBondContact O-N 2.62Å; E285-Y288 PolarHBondContact O-N 3.28Å; Y288-R340 PolarHBondContact OH-NH2 2.7Å; Y288-C346 HydrophobicContact CD1-CB 4.42Å; Y288-C346 HydrophobicContact CD2-CB 4.04Å; Y288-C346 HydrophobicContact CE1-CB 4.18Å; Y288-C346 HydrophobicContact CE2-CB 3.8Å; Y288-C346 HydrophobicContact CG-CB 4.34Å; Y288-F348 AromaticContact CD2-CD2 3.73Å; Y288-F348 HydrophobicContact CD2-CD2 3.73Å; Y288-F348 AromaticContact CD2-CE2 3.89Å; Y288-F348 HydrophobicContact CD2-CE2 3.89Å; Y288-F348 AromaticContact CG-CD2 3.99Å; Y288-F348 HydrophobicContact CG-CD2 3.99Å; Y288-A351 WeakPolarHBondContact O-CB 3.24Å
289	V	90.9	Very high	91.5	Very high	21 Å²	21	26 Å²	26	13%	0.127	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.9	-39.5	-174	-169.2	0	0	0	0	111.8	H264 P265 E285 T291 F348	H264-V289 WeakPolarHBondContact NE2-CG1 3.49Å; P265-V289 HydrophobicContact CG-CG1 4.14Å; E285-V289 HydrophobicContact CG-CB 3.95Å; E285-V289 HydrophobicContact CG-CG2 3.94Å; E285-V289 PolarHBondContact O-N 3.03Å; V289-T291 PolarHBondContact O-N 3.29Å; V289-F348 HydrophobicContact CG2-CB 3.87Å; V289-F348 HydrophobicContact CG2-CD1 3.28Å; V289-F348 HydrophobicContact CG2-CD2 4.07Å; V289-F348 HydrophobicContact CG2-CE1 3.75Å; V289-F348 HydrophobicContact CG2-CE2 4.47Å; V289-F348 HydrophobicContact CG2-CG 3.45Å; V289-F348 VanDerWaalsContact CG2-CG 3.45Å; V289-F348 HydrophobicContact CG2-CZ 4.31Å
290	W	93.1	Very high	90.8	Very high	5 Å²	5	26.1 Å²	26.1	2%	0.019	13%	0.13	C	C	.	.			trans	-77.5	122.7	177.8	-68.1	74.2	0	0	0	110.8	P137 F262 H264 R268 V270 E285	P137-W290 HydrophobicContact CB-CD2 3.79Å; P137-W290 HydrophobicContact CB-CE3 4.46Å; P137-W290 HydrophobicContact CB-CG 3.96Å; P137-W290 HydrophobicContact CB-CZ2 4.06Å; P137-W290 HydrophobicContact CG-CD2 3.62Å; P137-W290 HydrophobicContact CG-CE3 3.78Å; P137-W290 HydrophobicContact CG-CG 4.14Å; P137-W290 HydrophobicContact CG-CH2 4.14Å; P137-W290 HydrophobicContact CG-CZ2 3.99Å; P137-W290 HydrophobicContact CG-CZ3 4.07Å; F262-W290 HydrophobicContact CB-CE3 3.81Å; F262-W290 HydrophobicContact CB-CZ3 4.4Å; F262-W290 HydrophobicContact CD1-CB 4.06Å; H264-W290 HydrophobicContact CB-CD2 3.7Å; H264-W290 HydrophobicContact CB-CE3 3.63Å; H264-W290 HydrophobicContact CB-CG 4.47Å; H264-W290 HydrophobicContact CB-CH2 3.71Å; H264-W290 HydrophobicContact CB-CZ2 3.77Å; H264-W290 HydrophobicContact CB-CZ3 3.61Å; H264-W290 AromaticContact CD2-CD1 3.84Å; H264-W290 AromaticContact CD2-CE2 3.7Å; H264-W290 AromaticContact CD2-NE1 3.49Å; H264-W290 PolarHBondContact CD2-NE1 3.48Å; H264-W290 AromaticContact CG-CE2 3.95Å; R268-W290 HydrophobicContact CB-CH2 3.78Å; R268-W290 HydrophobicContact CB-CZ3 4.21Å; V270-W290 HydrophobicContact CG2-CH2 3.69Å; V270-W290 HydrophobicContact CG2-CZ3 3.63Å; E285-W290 PolarHBondContact O-N 3.2Å; E285-W290 PolarHBondContact OE1-NE1 3.16Å
291	T	92.3	Very high	89.9	Confident	42 Å²	42	28.5 Å²	28.5	26%	0.258	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	141.8	163.2	59.4	0	0	0	0	109.2	H238 V239 F262 R263 V289	H238-T291 CarbonylContact O-C 3.51Å; H238-T291 VanDerWaalsContact O-CA 3.29Å; H238-T291 WeakPolarHBondContact O-CA 3.5Å; V239-T291 HydrophobicContact CG2-CG2 3.7Å; F262-T291 CarbonylContact C-O 3.57Å; F262-T291 VanDerWaalsContact CA-O 3.31Å; F262-T291 WeakPolarHBondContact CA-O 3.36Å; R263-T291 WeakPolarHBondContact CB-OG1 3.36Å; R263-T291 PolarHBondContact N-O 3.46Å; R263-T291 PolarHBondContact O-N 3.23Å; R263-T291 PolarHBondContact O-OG1 3.09Å; V289-T291 PolarHBondContact O-N 3.29Å
292	H	91.9	Very high	89.1	Confident	18 Å²	18	28.4 Å²	28.4	8%	0.083	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	144.1	177	74	-70.5	0	0	0	110.2	P237 H238 D240 M260 E261 F262	P237-H292 WeakPolarHBondContact CA-O 3.14Å; H238-H292 AromaticContact CE1-CE1 3.61Å; H238-H292 AromaticContact CE1-NE2 3.52Å; H238-H292 PolarHBondContact N-O 3.25Å; H238-H292 PolarHBondContact ND1-O 3.28Å; H238-H292 AromaticContact NE2-CE1 3.71Å; H238-H292 AromaticContact NE2-NE2 3.81Å; H238-H292 PolarHBondContact O-N 3.09Å; H238-H292 PolarHBondContact O-ND1 3.04Å; D240-H292 IonicContact OD1-CE1 3.45Å; M260-H292 HydrophobicContact CG-CB 4.41Å; M260-H292 HydrophobicContact SD-CB 4.11Å; E261-H292 WeakPolarHBondContact O-CA 3.42Å; F262-H292 HydrophobicContact CD1-CB 3.9Å; F262-H292 HydrophobicContact CE1-CB 3.65Å; F262-H292 HydrophobicContact CE2-CB 4.49Å; F262-H292 HydrophobicContact CG-CB 4.42Å; F262-H292 HydrophobicContact CZ-CB 3.96Å
293	G	91	Very high	88.1	Confident	2 Å²	2	31.8 Å²	31.8	2%	0.021	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	162.1	-179.3	0	0	0	0	0	113.4	M260 E261	M260-G293 CarbonylContact C-O 3.5Å; M260-G293 WeakPolarHBondContact CA-O 3.17Å; M260-G293 WeakPolarHBondContact CG-O 3.39Å; E261-G293 PolarHBondContact N-O 3.29Å; E261-G293 PolarHBondContact O-N 2.9Å; E261-G293 VanDerWaalsContact O-N 3.09Å
294	I	88.8	Confident	86.8	Confident	4 Å²	4	30.1 Å²	30.1	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	103.3	175.4	-59.3	169.3	0	0	0	106.8	Y229 G234 I235 T258 M260 P296	Y229-I294 HydrophobicContact CE2-CD1 4.23Å; G234-I294 CarbonylContact C-O 3.43Å; G234-I294 WeakPolarHBondContact CA-O 3.16Å; I235-I294 HydrophobicContact CG2-CB 4.04Å; I235-I294 HydrophobicContact CG2-CD1 4.36Å; I235-I294 HydrophobicContact CG2-CG1 4.11Å; I235-I294 PolarHBondContact N-O 3.47Å; I235-I294 CarbonylContact O-C 3.54Å; I235-I294 PolarHBondContact O-N 3.31Å; T258-I294 HydrophobicContact CG2-CD1 4.18Å; T258-I294 HydrophobicContact CG2-CG2 4.37Å; M260-I294 HydrophobicContact CB-CG1 4.37Å; M260-I294 HydrophobicContact CE-CD1 4.11Å; M260-I294 HydrophobicContact CE-CG1 4.05Å; M260-I294 HydrophobicContact CG-CG1 4.47Å; I294-P296 WeakPolarHBondContact O-CD 3.46Å
295	T	84.3	Confident	85.1	Confident	27 Å²	27	34.4 Å²	34.4	17%	0.166	19%	0.186	C	C	.	.			trans	-55.4	128.5	179.5	-68.7	0	0	0	0	110.7	E261 R297 R328	E261-T295 VanDerWaalsContact OE1-CB 3.31Å; E261-T295 WeakPolarHBondContact OE1-CB 3.05Å; E261-T295 PolarHBondContact OE1-OG1 3.22Å; E261-T295 PolarHBondContact OE2-OG1 3.44Å; T295-R297 HydrophobicContact CG2-CG 4.5Å; T295-R297 PolarHBondContact O-N 3.03Å; T295-R297 VanDerWaalsContact O-N 3.11Å; T295-R328 VanDerWaalsContact O-CZ 3.29Å; T295-R328 PolarHBondContact O-NH1 3.43Å; T295-R328 PolarHBondContact O-NH2 3.45Å
296	P	82.1	Confident	82.6	Confident	25 Å²	25	39.1 Å²	39.1	16%	0.162	21%	0.208	C	C	.	.			trans	-62.4	106.8	174	-25.2	35.1	0	0	0	112.3	G232 I294	G232-P296 WeakPolarHBondContact O-CB 3.24Å; I294-P296 WeakPolarHBondContact O-CD 3.46Å
297	R	83.4	Confident	79.8	Confident	71 Å²	71	45.5 Å²	45.5	27%	0.268	25%	0.247	S	C	.	.			trans	-159.1	158.2	176.5	56.8	-171.3	179.4	-126.4	-10.8	111.6	G232 E261 T295 F299 D300 R328	G232-R297 WeakPolarHBondContact CA-O 3.41Å; G232-R297 PolarHBondContact N-O 3.42Å; E261-R297 IonicContact OE1-CZ 3.54Å; E261-R297 IonicContact OE1-NH1 3.52Å; E261-R297 PolarHBondContact OE1-NH1 3.05Å; E261-R297 IonicContact OE1-NH2 3.81Å; E261-R297 PolarHBondContact OE1-NH2 2.82Å; T295-R297 HydrophobicContact CG2-CG 4.5Å; T295-R297 PolarHBondContact O-N 3.03Å; T295-R297 VanDerWaalsContact O-N 3.11Å; R297-F299 WeakPolarHBondContact CD-O 3.41Å; R297-F299 VanDerWaalsContact CG-O 3.25Å; R297-F299 WeakPolarHBondContact CG-O 2.65Å; R297-F299 PolarHBondContact NE-O 2.86Å; R297-D300 IonicContact CZ-OD1 3.5Å; R297-D300 IonicContact NE-OD1 2.67Å; R297-D300 PolarHBondContact NE-OD1 2.53Å; R297-D300 IonicContact NH2-OD1 3.58Å; R297-D300 PolarHBondContact NH2-OD1 3.13Å; R297-R328 WeakPolarHBondContact O-CD 3.29Å; R297-R328 PolarHBondContact O-NH1 2.63Å
298	K	83.6	Confident	77	Confident	114 Å²	114	54.8 Å²	54.8	50%	0.496	28%	0.282	S	S	.	.	S	Bend	trans	-85.6	-19.3	177.9	-73.3	-172.1	172.2	-170.9	0	114	R328	K298-R328 PolarHBondContact O-N 3.22Å
299	F	83.7	Confident	73.9	Confident	61 Å²	61	59 Å²	59	27%	0.268	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	139.2	-178.7	-59	-95	0	0	0	109.3	R297 L325 S326 K327	R297-F299 WeakPolarHBondContact CD-O 3.41Å; R297-F299 VanDerWaalsContact CG-O 3.25Å; R297-F299 WeakPolarHBondContact CG-O 2.65Å; R297-F299 PolarHBondContact NE-O 2.86Å; F299-L325 HydrophobicContact CB-CD2 4.27Å; F299-S326 CarbonylContact C-O 3.45Å; F299-S326 VanDerWaalsContact CA-O 3.25Å; F299-S326 WeakPolarHBondContact CA-O 3.42Å; F299-K327 HydrophobicContact CD1-CB 3.78Å; F299-K327 HydrophobicContact CD1-CG 4.25Å; F299-K327 HydrophobicContact CE1-CB 3.66Å; F299-K327 HydrophobicContact CE1-CD 4.17Å; F299-K327 HydrophobicContact CE1-CG 3.88Å; F299-K327 HydrophobicContact CZ-CD 4.39Å; F299-K327 HydrophobicContact CZ-CG 4.32Å
300	D	84.3	Confident	71.1	Confident	4 Å²	4	63.4 Å²	63.4	2%	0.021	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	149.8	169.4	-77.6	-49	0	0	0	110.3	T258 V259 R297 V302 L325 S326 R328	T258-D300 WeakPolarHBondContact CA-OD2 3.38Å; T258-D300 PolarHBondContact OG1-OD2 3.13Å; V259-D300 HydrophobicContact CB-CB 4.27Å; V259-D300 HydrophobicContact CG2-CB 3.74Å; V259-D300 PolarHBondContact N-OD2 2.89Å; V259-D300 VanDerWaalsContact N-OD2 3.1Å; R297-D300 IonicContact CZ-OD1 3.5Å; R297-D300 IonicContact NE-OD1 2.67Å; R297-D300 PolarHBondContact NE-OD1 2.53Å; R297-D300 IonicContact NH2-OD1 3.58Å; R297-D300 PolarHBondContact NH2-OD1 3.13Å; D300-V302 HydrophobicContact CB-CG1 4.24Å; D300-L325 WeakPolarHBondContact O-CA 3.02Å; D300-S326 PolarHBondContact N-O 3.47Å; D300-S326 PolarHBondContact O-N 3.49Å; D300-R328 IonicContact OD1-CZ 3.29Å; D300-R328 IonicContact OD1-NE 2.93Å; D300-R328 PolarHBondContact OD1-NE 3.42Å; D300-R328 IonicContact OD1-NH2 2.9Å; D300-R328 PolarHBondContact OD1-NH2 3.27Å; D300-R328 IonicContact OD2-CZ 2.81Å; D300-R328 IonicContact OD2-NE 3.24Å; D300-R328 PolarHBondContact OD2-NE 2.7Å; D300-R328 IonicContact OD2-NH2 3.36Å; D300-R328 PolarHBondContact OD2-NH2 2.66Å
301	L	79.3	Confident	68.1	Low	51 Å²	51	69.7 Å²	69.7	27%	0.267	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	127.3	163.6	-66.4	168.4	0	0	0	107.6	L56 P82 Q83 T324 L325	L56-L301 HydrophobicContact CB-CD2 3.86Å; L56-L301 HydrophobicContact CD1-CD2 3.93Å; L56-L301 HydrophobicContact CD2-CD2 4.41Å; L56-L301 HydrophobicContact CG-CD2 4.27Å; P82-L301 HydrophobicContact CB-CD1 4.19Å; Q83-L301 HydrophobicContact CG-CD1 3.98Å; L301-T324 WeakPolarHBondContact CA-O 3.44Å; L301-L325 HydrophobicContact CD2-CD2 3.74Å
302	V	81	Confident	65.5	Low	6 Å²	6	76.7 Å²	76.7	4%	0.036	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	157.5	-179.8	-61.8	0	0	0	0	110.2	V259 V273 D300 L323 T324	V259-V302 HydrophobicContact CG2-CG1 4.16Å; V273-V302 HydrophobicContact CG1-CG1 4.36Å; V273-V302 HydrophobicContact CG2-CG1 4.21Å; D300-V302 HydrophobicContact CB-CG1 4.24Å; V302-L323 WeakPolarHBondContact O-CA 3.41Å; V302-T324 HydrophobicContact CG2-CG2 4.06Å; V302-T324 PolarHBondContact N-O 3.1Å; V302-T324 PolarHBondContact O-N 3.02Å
303	P	75.4	Confident	62.5	Low	74 Å²	74	80.8 Å²	80.8	48%	0.481	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	139.3	165.2	-24	34.9	0	0	0	111.1	D322	P303-D322 CarbonylContact C-O 3.55Å; P303-D322 WeakPolarHBondContact CA-O 3.48Å
304	A	69.5	Low	59.6	Low	21 Å²	21	89 Å²	89	17%	0.174	48%	0.484	C	S	.	.			trans	-69.2	134.1	171.1	0	0	0	0	0	109.2	E306 D322 T324	A304-E306 PolarHBondContact O-N 3.06Å; A304-D322 HydrophobicContact CB-CB 4.18Å; A304-D322 PolarHBondContact N-O 3.31Å; A304-T324 HydrophobicContact CB-CG2 4.38Å
305	C	57.1	Low	56.9	Low	112 Å²	112	93.9 Å²	93.9	76%	0.757	52%	0.516	S	S	*	.			trans	-81	104	177.7	-174.8	0	0	0	0	109.3
306	E	42.8	Very low	54.3	Low	144 Å²	144	100.1 Å²	100.1	67%	0.673	55%	0.548	S	S	*	.			trans	-69.3	134.7	153.6	-63.4	-156.4	139.5	0	0	108.3	A304 R308	A304-E306 PolarHBondContact O-N 3.06Å; E306-R308 PolarHBondContact O-N 2.84Å
307	T	33.2	Very low	52.2	Low	134 Å²	134	105.1 Å²	105.1	82%	0.822	57%	0.573	S	S	*	*			trans	-62.3	108.8	-176.1	44.8	0	0	0	0	110.4	S309	T307-S309 PolarHBondContact O-N 3.45Å
308	R	36.8	Very low	50	Low	201 Å²	201	106.5 Å²	106.5	76%	0.758	59%	0.586	S	S	*	*			trans	-47.1	105.3	176.1	-72.1	-176.2	178.3	166.2	0.7	109.9	E144 E306	E144-R308 IonicContact OE2-CZ 3.47Å; E144-R308 IonicContact OE2-NH2 3.53Å; E144-R308 PolarHBondContact OE2-NH2 2.61Å; E306-R308 PolarHBondContact O-N 2.84Å
309	S	28.2	Very low	47.9	Very low	102 Å²	102	105.3 Å²	105.3	71%	0.713	59%	0.592	S	S	*	*			trans	-67.7	133.4	168	47.4	0	0	0	0	108.8	T307 D311	T307-S309 PolarHBondContact O-N 3.45Å; S309-D311 VanDerWaalsContact C-N 3.26Å; S309-D311 PolarHBondContact O-N 2.86Å
310	A	32.5	Very low	46.2	Very low	113 Å²	113	108.7 Å²	108.7	93%	0.934	61%	0.608	S	S	*	*	S	Bend	trans	-79.1	70.2	-174	0	0	0	0	0	112.4
311	D	29.5	Very low	44.6	Very low	137 Å²	137	110.2 Å²	110.2	73%	0.733	63%	0.625	S	S	*	*			trans	-133.8	144.1	168.1	-153.9	-12.3	0	0	0	110	S309 S313	S309-D311 VanDerWaalsContact C-N 3.26Å; S309-D311 PolarHBondContact O-N 2.86Å; D311-S313 PolarHBondContact O-N 3.5Å
312	H	36.6	Very low	44.1	Very low	190 Å²	190	109.9 Å²	109.9	88%	0.88	62%	0.624	S	S	*	*			trans	-93.2	82.8	-166.9	-76.1	-78.9	0	0	0	112
313	S	30.6	Very low	43.9	Very low	104 Å²	104	111.6 Å²	111.6	73%	0.727	63%	0.633	S	S	*	*			trans	-115.8	148	165.5	-64.1	0	0	0	0	110.3	D311	D311-S313 PolarHBondContact O-N 3.5Å
314	E	29.5	Very low	44.3	Very low	175 Å²	175	108.6 Å²	108.6	82%	0.818	61%	0.613	S	S	*	*			trans	-54.8	143.5	168.4	-73.5	-68.2	145	0	0	110.4	D316	E314-D316 PolarHBondContact O-N 3.39Å
315	P	31.8	Very low	45	Very low	106 Å²	106	109.1 Å²	109.1	69%	0.688	61%	0.613	S	S	*	*			trans	-73	102.9	-175.8	28.9	-33.8	0	0	0	111.4	L317	P315-L317 PolarHBondContact O-N 3.38Å
316	D	29.1	Very low	46.3	Very low	157 Å²	157	105.2 Å²	105.2	84%	0.84	59%	0.586	S	S	*	*			trans	-58.1	100.1	167.6	-91.7	-32.9	0	0	0	110	E314 D318	E314-D316 PolarHBondContact O-N 3.39Å; D316-D318 PolarHBondContact O-N 3.13Å
317	L	39.2	Very low	48.3	Very low	130 Å²	130	104 Å²	104	68%	0.681	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	34.5	-171.3	-156.1	76.9	0	0	0	113.2	P315 H320	P315-L317 PolarHBondContact O-N 3.38Å; L317-H320 PolarHBondContact O-CD2 3.22Å
318	D	36.3	Very low	51	Low	100 Å²	100	98.3 Å²	98.3	54%	0.535	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-11.7	-169.7	-96.2	27.3	0	0	0	114.2	R133 D316 H320	R133-D318 IonicContact CZ-OD1 2.7Å; R133-D318 IonicContact CZ-OD2 3.16Å; R133-D318 IonicContact NH1-OD1 3.2Å; R133-D318 PolarHBondContact NH1-OD1 2.94Å; R133-D318 IonicContact NH1-OD2 3.34Å; R133-D318 IonicContact NH2-OD1 2.69Å; R133-D318 PolarHBondContact NH2-OD1 2.95Å; R133-D318 IonicContact NH2-OD2 3.35Å; R133-D318 PolarHBondContact NH2-OD2 3.16Å; D316-D318 PolarHBondContact O-N 3.13Å; D318-H320 PolarHBondContact O-N 3.42Å
319	S	40	Very low	53.5	Low	90 Å²	90	90.6 Å²	90.6	63%	0.629	53%	0.525	S	S	*	.			trans	-80.9	59	178.1	-157	0	0	0	0	113.2
320	H	48	Very low	56.6	Low	131 Å²	131	89.3 Å²	89.3	61%	0.606	51%	0.513	S	S	*	.			trans	-93.2	10.3	-176.1	-93.5	-68.6	0	0	0	115.3	L317 D318	L317-H320 PolarHBondContact O-CD2 3.22Å; D318-H320 PolarHBondContact O-N 3.42Å
321	G	49.8	Very low	59.7	Low	37 Å²	37	84.2 Å²	84.2	38%	0.381	47%	0.47	S	S	.	.	S	Bend	trans	-78.2	-17.8	-176.5	0	0	0	0	0	116.1
322	D	68.5	Low	62.9	Low	44 Å²	44	77.9 Å²	77.9	24%	0.235	44%	0.436	C	S	.	.			trans	-120	98.4	-156.2	-76.1	1	0	0	0	112.7	R62 P303 A304	R62-D322 IonicContact CZ-OD1 2.8Å; R62-D322 IonicContact CZ-OD2 2.75Å; R62-D322 IonicContact NH1-OD1 2.72Å; R62-D322 IonicContact NH1-OD2 3.61Å; R62-D322 PolarHBondContact NH1-OD2 3.48Å; R62-D322 IonicContact NH2-OD1 2.66Å; R62-D322 PolarHBondContact NH2-OD1 3.45Å; R62-D322 IonicContact NH2-OD2 3.42Å; R62-D322 PolarHBondContact NH2-OD2 3Å; P303-D322 CarbonylContact C-O 3.55Å; P303-D322 WeakPolarHBondContact CA-O 3.48Å; A304-D322 HydrophobicContact CB-CB 4.18Å; A304-D322 PolarHBondContact N-O 3.31Å
323	L	78.3	Confident	65.8	Low	42 Å²	42	69 Å²	69	22%	0.22	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	144.3	177.6	-65.1	176.8	0	0	0	112.9	L56 R62 P82 V302	L56-L323 HydrophobicContact CD1-CB 3.89Å; R62-L323 WeakPolarHBondContact CD-O 3.33Å; P82-L323 HydrophobicContact CB-CD1 3.97Å; P82-L323 HydrophobicContact CG-CD1 4.29Å; V302-L323 WeakPolarHBondContact O-CA 3.41Å
324	T	82.3	Confident	69	Low	11 Å²	11	64.1 Å²	64.1	7%	0.067	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	173	170.2	-162.9	0	0	0	0	112.9	R62 E63 L301 V302 A304	R62-T324 WeakPolarHBondContact CB-OG1 3.34Å; R62-T324 PolarHBondContact N-OG1 3.04Å; E63-T324 WeakPolarHBondContact OE1-CB 3.49Å; E63-T324 PolarHBondContact OE1-OG1 2.82Å; E63-T324 PolarHBondContact OE2-OG1 2.81Å; L301-T324 WeakPolarHBondContact CA-O 3.44Å; V302-T324 HydrophobicContact CG2-CG2 4.06Å; V302-T324 PolarHBondContact N-O 3.1Å; V302-T324 PolarHBondContact O-N 3.02Å; A304-T324 HydrophobicContact CB-CG2 4.38Å
325	L	84.3	Confident	72.3	Confident	32 Å²	32	56.2 Å²	56.2	17%	0.168	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	123.3	175.3	-71.4	172.7	0	0	0	111.1	L56 V60 F299 D300 L301	L56-L325 HydrophobicContact CD2-CG 3.96Å; V60-L325 WeakPolarHBondContact O-CD1 3.31Å; F299-L325 HydrophobicContact CB-CD2 4.27Å; D300-L325 WeakPolarHBondContact O-CA 3.02Å; L301-L325 HydrophobicContact CD2-CD2 3.74Å
326	S	84.3	Confident	75.5	Confident	29 Å²	29	51.3 Å²	51.3	20%	0.203	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.9	173	-164.1	0	0	0	0	110.9	K257 F299 D300	K257-S326 WeakPolarHBondContact CE-OG 3.36Å; F299-S326 CarbonylContact C-O 3.45Å; F299-S326 VanDerWaalsContact CA-O 3.25Å; F299-S326 WeakPolarHBondContact CA-O 3.42Å; D300-S326 PolarHBondContact N-O 3.47Å; D300-S326 PolarHBondContact O-N 3.49Å
327	K	85.1	Confident	78.7	Confident	119 Å²	119	44.6 Å²	44.6	52%	0.517	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	131	178.7	-175	173.9	171	177.9	0	110.3	E113 F299	E113-K327 IonicContact OE1-NZ 3.65Å; E113-K327 PolarHBondContact OE1-NZ 2.92Å; F299-K327 HydrophobicContact CD1-CB 3.78Å; F299-K327 HydrophobicContact CD1-CG 4.25Å; F299-K327 HydrophobicContact CE1-CB 3.66Å; F299-K327 HydrophobicContact CE1-CD 4.17Å; F299-K327 HydrophobicContact CE1-CG 3.88Å; F299-K327 HydrophobicContact CZ-CD 4.39Å; F299-K327 HydrophobicContact CZ-CG 4.32Å
328	R	89.6	Confident	81.4	Confident	15 Å²	15	41.6 Å²	41.6	6%	0.057	24%	0.237	C	C	.	.			trans	-72.8	128.9	175.8	-68	-166.7	-174.4	167.7	-3.5	111.4	S231 Q233 T258 T295 R297 K298 D300	S231-R328 WeakPolarHBondContact CB-O 3.44Å; S231-R328 PolarHBondContact OG-O 2.97Å; Q233-R328 PolarHBondContact O-NH1 2.89Å; Q233-R328 VanDerWaalsContact O-NH1 3.15Å; T258-R328 VanDerWaalsContact OG1-CZ 3.3Å; T258-R328 PolarHBondContact OG1-NE 3.24Å; T295-R328 VanDerWaalsContact O-CZ 3.29Å; T295-R328 PolarHBondContact O-NH1 3.43Å; T295-R328 PolarHBondContact O-NH2 3.45Å; R297-R328 WeakPolarHBondContact O-CD 3.29Å; R297-R328 PolarHBondContact O-NH1 2.63Å; K298-R328 PolarHBondContact O-N 3.22Å; D300-R328 IonicContact OD1-CZ 3.29Å; D300-R328 IonicContact OD1-NE 2.93Å; D300-R328 PolarHBondContact OD1-NE 3.42Å; D300-R328 IonicContact OD1-NH2 2.9Å; D300-R328 PolarHBondContact OD1-NH2 3.27Å; D300-R328 IonicContact OD2-CZ 2.81Å; D300-R328 IonicContact OD2-NE 3.24Å; D300-R328 PolarHBondContact OD2-NE 2.7Å; D300-R328 IonicContact OD2-NH2 3.36Å; D300-R328 PolarHBondContact OD2-NH2 2.66Å
329	G	90.3	Very high	84.1	Confident	39 Å²	39	37 Å²	37	40%	0.402	21%	0.212	S	C	.	.			trans	-83.8	-162.7	161.2	0	0	0	0	0	112.1
330	T	94.1	Very high	86.6	Confident	74 Å²	74	34.7 Å²	34.7	45%	0.454	19%	0.19	S	C	.	.			trans	-84.7	116.2	171	-59.1	0	0	0	0	109.3	Q228 Y229 G255 A256	Q228-T330 HydrophobicContact CG-CG2 4.02Å; Y229-T330 CarbonylContact O-C 3.54Å; Y229-T330 WeakPolarHBondContact O-CA 3.18Å; G255-T330 CarbonylContact C-O 3.57Å; A256-T330 WeakPolarHBondContact CB-O 3.44Å
331	R	95.8	Very high	88.5	Confident	7 Å²	7	34.7 Å²	34.7	3%	0.026	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	132.2	178.9	177.2	178.1	172.4	-77.2	1.2	110.1	Q228 Y229 S253 A256 T258 S333	Q228-R331 WeakPolarHBondContact CA-O 3.34Å; Y229-R331 PolarHBondContact N-O 2.73Å; Y229-R331 PolarHBondContact O-N 3.45Å; S253-R331 PolarHBondContact OG-NH2 3.42Å; A256-R331 HydrophobicContact CB-CB 4.31Å; A256-R331 WeakPolarHBondContact O-CB 3.47Å; A256-R331 WeakPolarHBondContact O-CD 3.44Å; A256-R331 VanDerWaalsContact O-CG 3.23Å; A256-R331 WeakPolarHBondContact O-CG 3.33Å; T258-R331 VanDerWaalsContact CG2-CD 3.4Å; R331-S333 VanDerWaalsContact CZ-CB 3.49Å; R331-S333 VanDerWaalsContact NH1-CB 3.28Å; R331-S333 PolarHBondContact NH1-OG 3.44Å; R331-S333 VanDerWaalsContact NH2-CB 3.28Å
332	T	97.3	Very high	90.3	Very high	4 Å²	4	40.3 Å²	40.3	3%	0.025	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	146.5	164.6	-52	0	0	0	0	108.6	L156 V226 N227 Q228 L254 F334	L156-T332 HydrophobicContact CD2-CG2 4.14Å; V226-T332 HydrophobicContact CG1-CG2 3.62Å; N227-T332 CarbonylContact O-C 3.57Å; N227-T332 WeakPolarHBondContact O-CA 3.29Å; Q228-T332 HydrophobicContact CB-CG2 4.31Å; Q228-T332 PolarHBondContact NE2-OG1 2.8Å; Q228-T332 VanDerWaalsContact NE2-OG1 3.11Å; L254-T332 PolarHBondContact N-O 2.9Å; L254-T332 PolarHBondContact O-N 3.12Å; L254-T332 VanDerWaalsContact O-O 3.08Å; T332-F334 HydrophobicContact CG2-CD1 4.42Å; T332-F334 HydrophobicContact CG2-CE1 4.1Å
333	S	97.9	Very high	91.2	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.021	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	137.5	172.6	57.3	0	0	0	0	113.2	V226 N227 L252 R331	V226-S333 WeakPolarHBondContact CA-O 3.38Å; N227-S333 PolarHBondContact N-O 3.49Å; N227-S333 PolarHBondContact O-N 3.39Å; L252-S333 CarbonylContact O-C 3.53Å; L252-S333 WeakPolarHBondContact O-CA 3.44Å; L252-S333 WeakPolarHBondContact O-CB 3.42Å; R331-S333 VanDerWaalsContact CZ-CB 3.49Å; R331-S333 VanDerWaalsContact NH1-CB 3.28Å; R331-S333 PolarHBondContact NH1-OG 3.44Å; R331-S333 VanDerWaalsContact NH2-CB 3.28Å
334	F	98.3	Very high	91.8	Very high	1 Å²	1	41.3 Å²	41.3	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	107.1	-179.4	-76.1	58.8	0	0	0	107.8	L155 V159 L224 V226 S251 L252 L254 T332 F336	L155-F334 HydrophobicContact CB-CZ 4.23Å; L155-F334 HydrophobicContact CD2-CE2 4.42Å; L155-F334 VanDerWaalsContact O-CZ 3.31Å; L155-F334 WeakPolarHBondContact O-CZ 3.13Å; V159-F334 HydrophobicContact CG2-CE1 3.89Å; V159-F334 HydrophobicContact CG2-CE2 4.33Å; V159-F334 HydrophobicContact CG2-CZ 3.38Å; L224-F334 HydrophobicContact CD1-CB 3.72Å; L224-F334 HydrophobicContact CD1-CD2 3.81Å; L224-F334 HydrophobicContact CD1-CG 4.09Å; L224-F334 HydrophobicContact CD2-CD2 3.81Å; L224-F334 HydrophobicContact CD2-CE2 4.22Å; L224-F334 HydrophobicContact CG-CD2 4.45Å; V226-F334 HydrophobicContact CG1-CD1 4.34Å; V226-F334 HydrophobicContact CG1-CE1 4.12Å; V226-F334 HydrophobicContact CG2-CD1 4.33Å; V226-F334 HydrophobicContact CG2-CD2 3.95Å; V226-F334 HydrophobicContact CG2-CE1 4.29Å; V226-F334 HydrophobicContact CG2-CE2 3.93Å; V226-F334 HydrophobicContact CG2-CG 4.15Å; V226-F334 HydrophobicContact CG2-CZ 4.09Å; S251-F334 WeakPolarHBondContact CA-O 3.46Å; L252-F334 HydrophobicContact CB-CB 4.35Å; L252-F334 PolarHBondContact N-O 3.44Å; L252-F334 PolarHBondContact O-N 2.94Å; L254-F334 HydrophobicContact CD1-CD1 3.94Å; L254-F334 HydrophobicContact CD1-CE1 3.91Å; T332-F334 HydrophobicContact CG2-CD1 4.42Å; T332-F334 HydrophobicContact CG2-CE1 4.1Å; F334-F336 HydrophobicContact CB-CD2 4.34Å; F334-F336 HydrophobicContact CB-CE2 3.59Å; F334-F336 HydrophobicContact CB-CZ 3.76Å; F334-F336 HydrophobicContact CD2-CE1 4.44Å; F334-F336 AromaticContact CD2-CZ 3.91Å; F334-F336 HydrophobicContact CD2-CZ 3.91Å; F334-F336 HydrophobicContact CG-CZ 4.31Å
335	T	98.3	Very high	92.2	Very high	9 Å²	9	45.9 Å²	45.9	6%	0.055	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	106.1	179	-50.9	0	0	0	0	109.1	L224 T225 I249 L250 S251	L224-T335 WeakPolarHBondContact CA-O 3.49Å; T225-T335 PolarHBondContact N-O 2.7Å; T225-T335 PolarHBondContact O-N 3.48Å; I249-T335 HydrophobicContact CG2-CG2 3.71Å; L250-T335 CarbonylContact O-C 3.57Å; L250-T335 VanDerWaalsContact O-CA 3.25Å; L250-T335 WeakPolarHBondContact O-CA 3.43Å; S251-T335 PolarHBondContact OG-OG1 3.46Å
336	F	98	Very high	92.5	Very high	3 Å²	3	45.1 Å²	45.1	1%	0.013	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	138	-177.5	-52	-93.3	0	0	0	111	L200 C204 L208 P221 Q223 L224 L250 L252 F334	L200-F336 HydrophobicContact CD2-CD1 4.16Å; C204-F336 HydrophobicContact CB-CE1 3.78Å; C204-F336 HydrophobicContact CB-CZ 4.09Å; L208-F336 HydrophobicContact CD1-CD1 4.07Å; L208-F336 HydrophobicContact CD1-CE1 4.12Å; L208-F336 HydrophobicContact CD2-CB 4.28Å; L208-F336 HydrophobicContact CD2-CD1 3.87Å; L208-F336 HydrophobicContact CD2-CD2 4.22Å; L208-F336 HydrophobicContact CD2-CE1 4.16Å; L208-F336 HydrophobicContact CD2-CE2 4.49Å; L208-F336 HydrophobicContact CD2-CG 3.89Å; L208-F336 HydrophobicContact CD2-CZ 4.46Å; L208-F336 HydrophobicContact CG-CD1 4.35Å; L208-F336 HydrophobicContact CG-CE1 4.29Å; P221-F336 HydrophobicContact CB-CB 4.01Å; P221-F336 HydrophobicContact CG-CB 3.77Å; P221-F336 HydrophobicContact CG-CG 4.48Å; Q223-F336 WeakPolarHBondContact O-CA 3.35Å; L224-F336 HydrophobicContact CB-CD1 4.03Å; L224-F336 HydrophobicContact CB-CE1 4.4Å; L224-F336 HydrophobicContact CD1-CD1 3.85Å; L224-F336 HydrophobicContact CD1-CE1 3.83Å; L224-F336 HydrophobicContact CD1-CG 4.26Å; L224-F336 HydrophobicContact CD1-CZ 4.23Å; L224-F336 HydrophobicContact CD2-CD1 4.4Å; L224-F336 HydrophobicContact CD2-CE1 3.92Å; L224-F336 HydrophobicContact CG-CD1 4.3Å; L224-F336 HydrophobicContact CG-CE1 4.26Å; L250-F336 HydrophobicContact CB-CB 4.27Å; L250-F336 HydrophobicContact CB-CD2 4.29Å; L250-F336 PolarHBondContact N-O 2.99Å; L250-F336 PolarHBondContact O-N 3.46Å; L252-F336 HydrophobicContact CB-CE2 4.39Å; F334-F336 HydrophobicContact CB-CD2 4.34Å; F334-F336 HydrophobicContact CB-CE2 3.59Å; F334-F336 HydrophobicContact CB-CZ 3.76Å; F334-F336 HydrophobicContact CD2-CE1 4.44Å; F334-F336 AromaticContact CD2-CZ 3.91Å; F334-F336 HydrophobicContact CD2-CZ 3.91Å; F334-F336 HydrophobicContact CG-CZ 4.31Å
337	R	97	Very high	92.9	Very high	17 Å²	17	48 Å²	48	6%	0.064	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	153.3	-176.3	-50.9	-175	-175.9	91.7	-10.7	111	P221 D222 Q223 T225 D240 F245 I249	P221-R337 WeakPolarHBondContact CA-O 3.23Å; P221-R337 VanDerWaalsContact CB-C 3.41Å; P221-R337 WeakPolarHBondContact CB-O 3.39Å; D222-R337 PolarHBondContact N-O 2.84Å; D222-R337 VanDerWaalsContact N-O 3.08Å; Q223-R337 HydrophobicContact CB-CB 4.47Å; Q223-R337 PolarHBondContact N-O 2.98Å; Q223-R337 PolarHBondContact O-N 3.06Å; T225-R337 PolarHBondContact OG1-NH1 3.49Å; D240-R337 IonicContact OD1-NH2 3.48Å; D240-R337 IonicContact OD2-CZ 2.62Å; D240-R337 IonicContact OD2-NE 3.89Å; D240-R337 PolarHBondContact OD2-NE 3.35Å; D240-R337 IonicContact OD2-NH2 3.01Å; D240-R337 PolarHBondContact OD2-NH2 3.31Å; F245-R337 HydrophobicContact CB-CB 4.47Å; F245-R337 HydrophobicContact CD1-CB 3.61Å; F245-R337 VanDerWaalsContact CD1-CD 3.44Å; F245-R337 HydrophobicContact CD1-CG 4.19Å; F245-R337 HydrophobicContact CE1-CB 4.02Å; F245-R337 VanDerWaalsContact CE1-CD 3.46Å; F245-R337 HydrophobicContact CE1-CG 4.38Å; F245-R337 HydrophobicContact CG-CB 4.13Å; F245-R337 VanDerWaalsContact CG-CD 3.47Å; F245-R337 HydrophobicContact CG-CG 4.41Å; F245-R337 VanDerWaalsContact CZ-CD 3.5Å; I249-R337 HydrophobicContact CD1-CG 4.17Å; I249-R337 HydrophobicContact CG1-CG 4.07Å; I249-R337 HydrophobicContact CG2-CG 4.13Å
338	K	95.6	Very high	93.1	Very high	66 Å²	66	44.7 Å²	44.7	29%	0.287	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	127	167	-176.7	71.6	-174.1	169.3	0	109.4	V219 L220 D222 F245 A246	V219-K338 HydrophobicContact CG1-CD 4.03Å; L220-K338 WeakPolarHBondContact O-CD 3.36Å; D222-K338 WeakPolarHBondContact OD1-CA 3.49Å; D222-K338 WeakPolarHBondContact OD2-CD 3.21Å; D222-K338 WeakPolarHBondContact OD2-CE 3.31Å; D222-K338 IonicContact OD2-NZ 4Å; D222-K338 PolarHBondContact OD2-NZ 3.44Å; F245-K338 CarbonylContact C-O 3.4Å; F245-K338 WeakPolarHBondContact CA-O 3.44Å; A246-K338 HydrophobicContact CB-CB 3.88Å; A246-K338 HydrophobicContact CB-CG 4.2Å; A246-K338 PolarHBondContact N-O 2.8Å
339	I	93.6	Very high	92.8	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.026	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	134.8	171.9	-63.3	-56.3	0	0	0	109.6	F181 V190 K192 D222 Q223 A244 F245	F181-I339 HydrophobicContact CD2-CD1 4.23Å; F181-I339 HydrophobicContact CD2-CG1 3.58Å; F181-I339 HydrophobicContact CE2-CG1 3.7Å; F181-I339 HydrophobicContact CG-CD1 4.37Å; F181-I339 HydrophobicContact CG-CG1 4.11Å; F181-I339 HydrophobicContact CZ-CG1 4.29Å; V190-I339 HydrophobicContact CB-CD1 4.08Å; V190-I339 HydrophobicContact CG1-CD1 3.84Å; V190-I339 HydrophobicContact CG2-CD1 3.92Å; K192-I339 HydrophobicContact CD-CG2 4.46Å; K192-I339 HydrophobicContact CG-CG2 4.3Å; D222-I339 PolarHBondContact OD1-N 2.92Å; Q223-I339 HydrophobicContact CB-CD1 3.82Å; Q223-I339 HydrophobicContact CB-CG1 4.16Å; Q223-I339 HydrophobicContact CG-CD1 4.08Å; A244-I339 WeakPolarHBondContact O-CA 3.3Å; F245-I339 HydrophobicContact CD1-CD1 3.94Å; F245-I339 HydrophobicContact CE1-CD1 3.7Å
340	R	92.2	Very high	92.3	Very high	41 Å²	41	49.6 Å²	49.6	16%	0.155	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-96.3	124.4	172.9	-174.5	-167	-66.3	-82.9	-2.2	109	K192 H242 A244 F245 Y288 E342 C344	K192-R340 VanDerWaalsContact CE-O 3.24Å; K192-R340 WeakPolarHBondContact CE-O 3.31Å; K192-R340 PolarHBondContact NZ-O 3.44Å; H242-R340 WeakPolarHBondContact O-CD 3.3Å; H242-R340 PolarHBondContact O-NE 3.48Å; A244-R340 PolarHBondContact O-N 3.16Å; F245-R340 PolarHBondContact O-NE 2.98Å; F245-R340 VanDerWaalsContact O-NE 3.14Å; F245-R340 PolarHBondContact O-NH2 2.96Å; Y288-R340 PolarHBondContact OH-NH2 2.7Å; R340-E342 WeakPolarHBondContact CD-O 3.35Å; R340-E342 WeakPolarHBondContact CG-O 3.39Å; R340-C344 VanDerWaalsContact CZ-SG 3.59Å
341	H	87.3	Confident	91.6	Very high	130 Å²	130	48.1 Å²	48.1	60%	0.602	28%	0.281	S	S	*	.			trans	-87.4	-43.7	175.8	-67.8	-87.2	0	0	0	112.3
342	E	88.9	Confident	91	Very high	155 Å²	155	47.8 Å²	47.8	72%	0.724	28%	0.28	S	S	*	.	S	Bend	trans	-76.8	161.1	179.1	-61.2	175.6	161.7	0	0	112.9	R340	R340-E342 WeakPolarHBondContact CD-O 3.35Å; R340-E342 WeakPolarHBondContact CG-O 3.39Å
343	P	87.3	Confident	90.3	Very high	103 Å²	103	50 Å²	50	67%	0.669	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-57	145.8	167.9	-23.3	34.7	0	0	0	111.9
344	C	90.8	Very high	89.6	Confident	4 Å²	4	51.8 Å²	51.8	3%	0.027	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-77.5	131.3	177.3	-172.5	0	0	0	0	112	H242 R340 S354 Q355	H242-C344 HydrophobicContact CB-CB 3.9Å; H242-C344 WeakPolarHBondContact O-CB 3.34Å; R340-C344 VanDerWaalsContact CZ-SG 3.59Å; C344-S354 PolarHBondContact N-OG 3.28Å; C344-S354 WeakPolarHBondContact O-CB 3.29Å; C344-Q355 WeakPolarHBondContact O-CG 3.4Å
345	C	91.1	Very high	88.8	Confident	107 Å²	107	55.4 Å²	55.4	72%	0.723	32%	0.321	S	S	*	.			trans	-119.1	40.7	178	64.4	0	0	0	0	112.3
346	C	91.1	Very high	87.1	Confident	16 Å²	16	58.1 Å²	58.1	11%	0.108	35%	0.351	C	S	.	.			trans	-71.1	159.8	-178	67	0	0	0	0	112.6	H242 Y288 F348 Q355	H242-C346 PolarHBondContact CE1-SG 3.28Å; Y288-C346 HydrophobicContact CD1-CB 4.42Å; Y288-C346 HydrophobicContact CD2-CB 4.04Å; Y288-C346 HydrophobicContact CE1-CB 4.18Å; Y288-C346 HydrophobicContact CE2-CB 3.8Å; Y288-C346 HydrophobicContact CG-CB 4.34Å; C346-F348 HydrophobicContact CB-CD2 4.46Å; C346-F348 PolarHBondContact O-N 3.1Å; C346-Q355 PolarHBondContact O-NE2 2.91Å
347	A	91.6	Very high	84.7	Confident	89 Å²	89	58.6 Å²	58.6	74%	0.736	36%	0.357	S	S	*	.	S	Bend	trans	-65.7	2.3	179.9	0	0	0	0	0	115.1	P349	A347-P349 WeakPolarHBondContact O-CD 3.2Å
348	F	89.1	Confident	82.1	Confident	51 Å²	51	63 Å²	63	22%	0.224	39%	0.39	C	S	.	.			trans	-117.2	62.2	-175	-49.5	-72.6	0	0	0	110.5	E285 Y288 V289 C346 S350 A351 C352	E285-F348 HydrophobicContact CB-CE1 4.35Å; E285-F348 HydrophobicContact CB-CZ 3.96Å; E285-F348 HydrophobicContact CG-CE1 4.25Å; E285-F348 HydrophobicContact CG-CZ 4.34Å; Y288-F348 AromaticContact CD2-CD2 3.73Å; Y288-F348 HydrophobicContact CD2-CD2 3.73Å; Y288-F348 AromaticContact CD2-CE2 3.89Å; Y288-F348 HydrophobicContact CD2-CE2 3.89Å; Y288-F348 AromaticContact CG-CD2 3.99Å; Y288-F348 HydrophobicContact CG-CD2 3.99Å; V289-F348 HydrophobicContact CG2-CB 3.87Å; V289-F348 HydrophobicContact CG2-CD1 3.28Å; V289-F348 HydrophobicContact CG2-CD2 4.07Å; V289-F348 HydrophobicContact CG2-CE1 3.75Å; V289-F348 HydrophobicContact CG2-CE2 4.47Å; V289-F348 HydrophobicContact CG2-CG 3.45Å; V289-F348 VanDerWaalsContact CG2-CG 3.45Å; V289-F348 HydrophobicContact CG2-CZ 4.31Å; C346-F348 HydrophobicContact CB-CD2 4.46Å; C346-F348 PolarHBondContact O-N 3.1Å; F348-S350 PolarHBondContact O-N 2.93Å; F348-A351 PolarHBondContact O-N 2.82Å; F348-C352 WeakPolarHBondContact O-CB 3.39Å; F348-C352 PolarHBondContact O-N 2.9Å
349	P	83.9	Confident	79.3	Confident	65 Å²	65	62.5 Å²	62.5	42%	0.422	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-59.6	-36.7	-170.8	24.4	-34.5	0	0	0	112.3	A347 A351 C352 Q355 G357	A347-P349 WeakPolarHBondContact O-CD 3.2Å; P349-A351 PolarHBondContact O-N 2.91Å; P349-C352 PolarHBondContact O-N 2.69Å; P349-Q355 HydrophobicContact CB-CB 4.15Å; P349-G357 WeakPolarHBondContact O-CA 3.39Å; P349-G357 PolarHBondContact O-N 3.49Å
350	S	78.8	Confident	76.6	Confident	91 Å²	91	66.9 Å²	66.9	64%	0.636	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-61.7	-20.3	-178.8	49.4	0	0	0	0	115.8	F348 G357	F348-S350 PolarHBondContact O-N 2.93Å; S350-G357 CarbonylContact O-C 3.44Å; S350-G357 VanDerWaalsContact O-C 3.27Å
351	A	79.3	Confident	73.6	Confident	43 Å²	43	68 Å²	68	36%	0.355	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-110.6	1.4	175.4	0	0	0	0	0	112.6	H242 Y288 F348 P349	H242-A351 WeakPolarHBondContact NE2-CB 3.43Å; H242-A351 PolarHBondContact NE2-O 3.35Å; Y288-A351 WeakPolarHBondContact O-CB 3.24Å; F348-A351 PolarHBondContact O-N 2.82Å; P349-A351 PolarHBondContact O-N 2.91Å
352	C	84.8	Confident	71.1	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	44%	0.437	C	S	.	.			trans	-101.2	112.8	-167.8	-172.9	0	0	0	0	112.3	H242 F348 P349 S354 Q355 G356 G357	H242-C352 WeakPolarHBondContact CE1-CA 3.22Å; H242-C352 WeakPolarHBondContact CE1-CB 3.21Å; H242-C352 PolarHBondContact CE1-SG 2.9Å; H242-C352 WeakPolarHBondContact ND1-CA 3.2Å; H242-C352 WeakPolarHBondContact ND1-CB 3.38Å; H242-C352 PolarHBondContact ND1-SG 2.94Å; F348-C352 WeakPolarHBondContact O-CB 3.39Å; F348-C352 PolarHBondContact O-N 2.9Å; P349-C352 PolarHBondContact O-N 2.69Å; C352-S354 PolarHBondContact O-N 3.13Å; C352-Q355 HydrophobicContact CB-CB 4.13Å; C352-Q355 HydrophobicContact CB-CG 4.26Å; C352-Q355 PolarHBondContact O-N 2.96Å; C352-G356 PolarHBondContact O-N 2.91Å; C352-G357 PolarHBondContact N-O 3.45Å
353	D	82	Confident	68.7	Low	50 Å²	50	61.7 Å²	61.7	27%	0.267	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.4	-179.9	65.2	-71.3	0	0	0	114.2	H242 S243	H242-D353 WeakPolarHBondContact CA-OD1 3.47Å; H242-D353 WeakPolarHBondContact CB-OD1 3.33Å; H242-D353 IonicContact CG-OD1 3.62Å; H242-D353 PolarHBondContact N-OD1 2.83Å; S243-D353 WeakPolarHBondContact CB-OD2 3.37Å; S243-D353 PolarHBondContact N-OD1 2.86Å; S243-D353 VanDerWaalsContact N-OD1 3.13Å; S243-D353 PolarHBondContact N-OD2 3.01Å; S243-D353 PolarHBondContact OG-OD2 3.28Å
354	S	83.8	Confident	66.6	Low	41 Å²	41	61.8 Å²	61.8	29%	0.287	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-14.9	173.5	-57	0	0	0	0	115.1	S243 C344 C352	S243-S354 WeakPolarHBondContact CB-OG 3.41Å; C344-S354 PolarHBondContact N-OG 3.28Å; C344-S354 WeakPolarHBondContact O-CB 3.29Å; C352-S354 PolarHBondContact O-N 3.13Å
355	Q	81.1	Confident	64.8	Low	77 Å²	77	65.8 Å²	65.8	36%	0.36	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	11.2	-172.6	-60.3	-176	104.5	0	0	113.4	C344 C346 P349 C352 G357	C344-Q355 WeakPolarHBondContact O-CG 3.4Å; C346-Q355 PolarHBondContact O-NE2 2.91Å; P349-Q355 HydrophobicContact CB-CB 4.15Å; C352-Q355 HydrophobicContact CB-CB 4.13Å; C352-Q355 HydrophobicContact CB-CG 4.26Å; C352-Q355 PolarHBondContact O-N 2.96Å; Q355-G357 PolarHBondContact O-N 2.81Å
356	G	62	Low	63.7	Low	67 Å²	67	61.7 Å²	61.7	69%	0.691	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	1.5	176.5	0	0	0	0	0	115.2	C352 S358	C352-G356 PolarHBondContact O-N 2.91Å; G356-S358 PolarHBondContact O-N 3.04Å
357	G	48.3	Very low	63.2	Low	13 Å²	13	64.2 Å²	64.2	13%	0.134	44%	0.441	C	S	.	.	S	Bend	trans	-78.3	107.8	168.3	0	0	0	0	0	110.5	P349 S350 C352 Q355 S359	P349-G357 WeakPolarHBondContact O-CA 3.39Å; P349-G357 PolarHBondContact O-N 3.49Å; S350-G357 CarbonylContact O-C 3.44Å; S350-G357 VanDerWaalsContact O-C 3.27Å; C352-G357 PolarHBondContact N-O 3.45Å; Q355-G357 PolarHBondContact O-N 2.81Å; G357-S359 VanDerWaalsContact C-N 3.26Å; G357-S359 PolarHBondContact O-N 2.97Å
358	S	42	Very low	62.8	Low	109 Å²	109	63.7 Å²	63.7	76%	0.762	43%	0.426	S	S	*	.			trans	32	58	170.3	-63.4	0	0	0	0	114.1	G356 A360	G356-S358 PolarHBondContact O-N 3.04Å; S358-A360 VanDerWaalsContact C-N 3.31Å; S358-A360 PolarHBondContact O-N 3.21Å
359	S	36.7	Very low	62.7	Low	56 Å²	56	62.4 Å²	62.4	39%	0.392	42%	0.422	S	S	.	.			trans	-58	104	159.3	46	0	0	0	0	107.5	G357 S361	G357-S359 VanDerWaalsContact C-N 3.26Å; G357-S359 PolarHBondContact O-N 2.97Å; S359-S361 PolarHBondContact O-N 3.14Å; S359-S361 PolarHBondContact O-OG 3.5Å
360	A	36.3	Very low	62.5	Low	97 Å²	97	64.6 Å²	64.6	80%	0.802	44%	0.439	S	S	*	.			trans	-65.2	64.1	142.1	0	0	0	0	0	107.7	S358	S358-A360 VanDerWaalsContact C-N 3.31Å; S358-A360 PolarHBondContact O-N 3.21Å
361	S	30.3	Very low	62.6	Low	64 Å²	64	63 Å²	63	45%	0.448	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-47.6	144.9	148.7	49	0	0	0	0	106.8	S359	S359-S361 PolarHBondContact O-N 3.14Å; S359-S361 PolarHBondContact O-OG 3.5Å
362	P	34.6	Very low	62.6	Low	62 Å²	62	66.6 Å²	66.6	40%	0.403	44%	0.437	S	S	.	.	S	Bend	trans	-51.9	119.8	170.5	-15.7	26.6	0	0	0	106	D186 N187 S364	D186-P362 WeakPolarHBondContact O-CG 3.33Å; N187-P362 HydrophobicContact CB-CG 4.09Å; P362-S364 PolarHBondContact O-N 3.49Å
363	P	37.8	Very low	62.3	Low	90 Å²	90	69.3 Å²	69.3	58%	0.584	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-57.1	118.6	-161	18.6	-31.7	0	0	0	107.9	Q365	P363-Q365 VanDerWaalsContact C-N 3.3Å; P363-Q365 WeakPolarHBondContact O-CA 3.46Å; P363-Q365 PolarHBondContact O-N 2.81Å
364	S	42.3	Very low	62.4	Low	105 Å²	105	68.4 Å²	68.4	73%	0.734	45%	0.454	S	S	*	.			trans	-57.4	101	175.5	51	0	0	0	0	106.2	P362 P366	P362-S364 PolarHBondContact O-N 3.49Å; S364-P366 WeakPolarHBondContact O-CA 3.4Å
365	Q	54.4	Low	62.7	Low	89 Å²	89	66.5 Å²	66.5	42%	0.416	44%	0.441	S	S	.	.			trans	-36.2	109.4	-151.7	-178.7	-174.4	-13.3	0	0	111.1	P363 S367 K578 L579	P363-Q365 VanDerWaalsContact C-N 3.3Å; P363-Q365 WeakPolarHBondContact O-CA 3.46Å; P363-Q365 PolarHBondContact O-N 2.81Å; Q365-S367 PolarHBondContact O-N 3.23Å; Q365-K578 HydrophobicContact CB-CB 4.08Å; Q365-K578 HydrophobicContact CB-CD 4.45Å; Q365-K578 HydrophobicContact CB-CG 4.14Å; Q365-K578 HydrophobicContact CG-CB 3.98Å; Q365-K578 WeakPolarHBondContact O-CG 3.4Å; Q365-L579 WeakPolarHBondContact CG-O 3.42Å; Q365-L579 PolarHBondContact NE2-O 3.2Å
366	P	68.6	Low	63	Low	20 Å²	20	65.7 Å²	65.7	13%	0.13	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-54.6	131.6	-151	17.7	-31.9	0	0	0	110.7	S364 L378 Y382 L579 L594	S364-P366 WeakPolarHBondContact O-CA 3.4Å; P366-L378 HydrophobicContact CB-CD1 4.29Å; P366-Y382 HydrophobicContact CB-CE2 4.15Å; P366-Y382 HydrophobicContact CG-CE1 4.33Å; P366-Y382 HydrophobicContact CG-CE2 4.29Å; P366-L579 HydrophobicContact CB-CD1 4.38Å; P366-L579 HydrophobicContact CG-CD1 4.5Å; P366-L579 WeakPolarHBondContact O-CB 3.4Å; P366-L579 WeakPolarHBondContact O-CD1 3.09Å; P366-L579 WeakPolarHBondContact O-CG 3.33Å; P366-L579 PolarHBondContact O-N 2.81Å; P366-L594 HydrophobicContact CG-CD1 3.65Å
367	S	80.4	Confident	64.2	Low	70 Å²	70	69.8 Å²	69.8	49%	0.49	44%	0.436	S	S	.	.	B	Isolated β-bridge	trans	-81.8	159.9	-169.9	61.1	0	0	0	0	112.5	Q365 G577	Q365-S367 PolarHBondContact O-N 3.23Å; S367-G577 CarbonylContact C-O 3.6Å; S367-G577 WeakPolarHBondContact CA-O 3.04Å; S367-G577 WeakPolarHBondContact CB-O 3.38Å
368	L	82.5	Confident	66.2	Low	78 Å²	78	69.8 Å²	69.8	41%	0.408	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-51.6	142.6	158.1	-71.8	167.5	0	0	0	109.8	S370 G577 L579 D592	L368-S370 PolarHBondContact O-N 3.29Å; L368-G577 PolarHBondContact N-O 2.92Å; L368-L579 HydrophobicContact CD2-CD2 3.85Å; L368-L579 HydrophobicContact CG-CD2 4.33Å; L368-D592 HydrophobicContact CD2-CB 3.5Å
369	P	86.1	Confident	68.8	Low	23 Å²	23	64.6 Å²	64.6	15%	0.149	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-71.1	128.6	-179.6	29.5	-34.9	0	0	0	110.9	D374 A375 S485 T486	P369-D374 HydrophobicContact CB-CB 3.67Å; P369-A375 HydrophobicContact CB-CB 3.92Å; P369-A375 HydrophobicContact CG-CB 4.31Å; P369-S485 WeakPolarHBondContact CG-O 3.32Å; P369-T486 HydrophobicContact CB-CG2 4.36Å; P369-T486 HydrophobicContact CG-CG2 3.67Å
370	S	80.4	Confident	71.4	Confident	111 Å²	111	66.6 Å²	66.6	78%	0.776	40%	0.4	S	S	*	.	S	Bend	trans	-87.8	-20.4	175.2	76.5	0	0	0	0	112.7	L368 D374	L368-S370 PolarHBondContact O-N 3.29Å; S370-D374 WeakPolarHBondContact CA-OD2 3.41Å; S370-D374 WeakPolarHBondContact CB-OD2 3.24Å; S370-D374 PolarHBondContact N-OD2 3.36Å; S370-D374 PolarHBondContact OG-OD2 2.9Å
371	C	81.9	Confident	74	Confident	59 Å²	59	67 Å²	67	40%	0.399	39%	0.385	S	S	.	.	S	Bend	trans	-149.9	172.2	-179.6	71.7	0	0	0	0	112.7	A373 D374 A375	C371-A373 PolarHBondContact O-N 2.93Å; C371-A373 VanDerWaalsContact O-N 3.16Å; C371-D374 PolarHBondContact N-OD2 2.93Å; C371-D374 VanDerWaalsContact N-OD2 3.07Å; C371-D374 WeakPolarHBondContact O-CB 3.5Å; C371-D374 PolarHBondContact O-N 3.31Å; C371-D374 PolarHBondContact SG-OD2 2.76Å; C371-A375 PolarHBondContact O-N 2.67Å
372	H	79.2	Confident	77.1	Confident	118 Å²	118	65 Å²	65	55%	0.546	37%	0.368	S	S	.	.	H	α-helix	trans	-55.9	-30.7	177.7	-112.1	-72.3	0	0	0	114.3	T376	H372-T376 WeakPolarHBondContact O-CB 3.31Å; H372-T376 PolarHBondContact O-N 2.84Å; H372-T376 VanDerWaalsContact O-N 3.11Å; H372-T376 PolarHBondContact O-OG1 2.69Å
373	A	77.9	Confident	80	Confident	56 Å²	56	62.6 Å²	62.6	46%	0.463	35%	0.352	S	S	.	.	H	α-helix	trans	-74.5	-36.1	177.1	0	0	0	0	0	112.1	C371 R377	C371-A373 PolarHBondContact O-N 2.93Å; C371-A373 VanDerWaalsContact O-N 3.16Å; A373-R377 WeakPolarHBondContact O-CG 3.3Å; A373-R377 PolarHBondContact O-N 3.23Å; A373-R377 VanDerWaalsContact O-N 3.08Å; A373-R377 PolarHBondContact O-NE 3.09Å
374	D	83.3	Confident	82.7	Confident	32 Å²	32	59.4 Å²	59.4	17%	0.171	33%	0.329	C	S	.	.	H	α-helix	trans	-66.8	-45.6	173.6	-54.8	-31.6	0	0	0	110.6	P369 S370 C371 T376 R377 L378	P369-D374 HydrophobicContact CB-CB 3.67Å; S370-D374 WeakPolarHBondContact CA-OD2 3.41Å; S370-D374 WeakPolarHBondContact CB-OD2 3.24Å; S370-D374 PolarHBondContact N-OD2 3.36Å; S370-D374 PolarHBondContact OG-OD2 2.9Å; C371-D374 PolarHBondContact N-OD2 2.93Å; C371-D374 VanDerWaalsContact N-OD2 3.07Å; C371-D374 WeakPolarHBondContact O-CB 3.5Å; C371-D374 PolarHBondContact O-N 3.31Å; C371-D374 PolarHBondContact SG-OD2 2.76Å; D374-T376 VanDerWaalsContact C-N 3.29Å; D374-T376 PolarHBondContact O-N 2.9Å; D374-R377 PolarHBondContact O-N 2.94Å; D374-R377 IonicContact OD1-CZ 2.96Å; D374-R377 IonicContact OD1-NH2 3.76Å; D374-R377 PolarHBondContact OD1-NH2 2.95Å; D374-L378 WeakPolarHBondContact O-CB 3.45Å; D374-L378 PolarHBondContact O-N 2.91Å
375	A	89.7	Confident	85	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-55.1	-46	176.8	0	0	0	0	0	111.6	P369 C371 E379 S485 T486	P369-A375 HydrophobicContact CB-CB 3.92Å; P369-A375 HydrophobicContact CG-CB 4.31Å; C371-A375 PolarHBondContact O-N 2.67Å; A375-E379 WeakPolarHBondContact O-CB 3.4Å; A375-E379 VanDerWaalsContact O-CG 3.23Å; A375-E379 WeakPolarHBondContact O-CG 3.48Å; A375-E379 PolarHBondContact O-N 2.96Å; A375-S485 WeakPolarHBondContact CA-OG 3.43Å; A375-S485 WeakPolarHBondContact CB-OG 3.44Å; A375-S485 PolarHBondContact O-OG 3.08Å; A375-T486 HydrophobicContact CB-CG2 4.02Å
376	T	88	Confident	86.8	Confident	61 Å²	61	55.8 Å²	55.8	37%	0.374	30%	0.304	S	S	.	.	H	α-helix	trans	-65.6	-41.4	178.7	-53.4	0	0	0	0	112	H372 D374 E380	H372-T376 WeakPolarHBondContact O-CB 3.31Å; H372-T376 PolarHBondContact O-N 2.84Å; H372-T376 VanDerWaalsContact O-N 3.11Å; H372-T376 PolarHBondContact O-OG1 2.69Å; D374-T376 VanDerWaalsContact C-N 3.29Å; D374-T376 PolarHBondContact O-N 2.9Å; T376-E380 WeakPolarHBondContact O-CB 3.31Å; T376-E380 PolarHBondContact O-N 2.7Å
377	R	87.6	Confident	88	Confident	152 Å²	152	56 Å²	56	57%	0.574	30%	0.303	S	S	*	.	H	α-helix	trans	-67.4	-44.7	177.6	-73.5	-176.4	-68	-177.1	2	112.6	A373 D374 E379 E380 E381	A373-R377 WeakPolarHBondContact O-CG 3.3Å; A373-R377 PolarHBondContact O-N 3.23Å; A373-R377 VanDerWaalsContact O-N 3.08Å; A373-R377 PolarHBondContact O-NE 3.09Å; D374-R377 PolarHBondContact O-N 2.94Å; D374-R377 IonicContact OD1-CZ 2.96Å; D374-R377 IonicContact OD1-NH2 3.76Å; D374-R377 PolarHBondContact OD1-NH2 2.95Å; R377-E379 VanDerWaalsContact C-N 3.31Å; R377-E379 PolarHBondContact O-N 2.91Å; R377-E380 PolarHBondContact O-N 2.76Å; R377-E381 WeakPolarHBondContact O-CB 3.32Å; R377-E381 PolarHBondContact O-N 2.79Å
378	L	90.4	Very high	88.5	Confident	13 Å²	13	54.9 Å²	54.9	7%	0.068	29%	0.291	C	S	.	.	H	α-helix	trans	-61.3	-41.3	177.9	-174.3	73.9	0	0	0	111.1	P366 D374 Y382 L579 Y645	P366-L378 HydrophobicContact CB-CD1 4.29Å; D374-L378 WeakPolarHBondContact O-CB 3.45Å; D374-L378 PolarHBondContact O-N 2.91Å; L378-Y382 HydrophobicContact CD1-CD2 3.66Å; L378-Y382 HydrophobicContact CD1-CE2 4.1Å; L378-Y382 HydrophobicContact CD1-CG 4.46Å; L378-Y382 HydrophobicContact CG-CD2 4.43Å; L378-Y382 WeakPolarHBondContact O-CB 3.47Å; L378-Y382 PolarHBondContact O-N 2.98Å; L378-L579 HydrophobicContact CD1-CD1 3.65Å; L378-L579 HydrophobicContact CD2-CD1 3.92Å; L378-L579 HydrophobicContact CG-CD1 4.41Å; L378-Y645 HydrophobicContact CD2-CD2 3.9Å; L378-Y645 HydrophobicContact CD2-CE2 4.19Å; L378-Y645 HydrophobicContact CD2-CG 4.22Å
379	E	95.9	Very high	88.8	Confident	1 Å²	1	54 Å²	54	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-69.8	-37.6	175	-71.2	167.4	-150.7	0	0	112.3	A375 R377 V383 H384 S485 R489	A375-E379 WeakPolarHBondContact O-CB 3.4Å; A375-E379 VanDerWaalsContact O-CG 3.23Å; A375-E379 WeakPolarHBondContact O-CG 3.48Å; A375-E379 PolarHBondContact O-N 2.96Å; R377-E379 VanDerWaalsContact C-N 3.31Å; R377-E379 PolarHBondContact O-N 2.91Å; E379-V383 CarbonylContact O-C 3.59Å; E379-V383 VanDerWaalsContact O-CA 3.28Å; E379-V383 WeakPolarHBondContact O-CA 3.27Å; E379-V383 WeakPolarHBondContact O-CB 3.44Å; E379-V383 PolarHBondContact O-N 2.83Å; E379-H384 PolarHBondContact O-N 3.15Å; E379-S485 WeakPolarHBondContact OE1-CB 3.41Å; E379-S485 PolarHBondContact OE1-N 2.73Å; E379-S485 PolarHBondContact OE1-OG 3.39Å; E379-R489 VanDerWaalsContact CD-NE 3.29Å; E379-R489 WeakPolarHBondContact OE1-CD 3.28Å; E379-R489 IonicContact OE1-CZ 2.78Å; E379-R489 IonicContact OE1-NE 3.71Å; E379-R489 PolarHBondContact OE1-NE 3.02Å; E379-R489 IonicContact OE2-CZ 3.15Å; E379-R489 IonicContact OE2-NE 3.28Å; E379-R489 PolarHBondContact OE2-NE 2.79Å; E379-R489 IonicContact OE2-NH2 2.89Å; E379-R489 PolarHBondContact OE2-NH2 3.45Å
380	E	92.2	Very high	89.1	Confident	98 Å²	98	53 Å²	53	46%	0.458	29%	0.288	S	S	.	.	I	π-helix	trans	-63.1	-50.6	174.8	-174.6	154.1	-126.4	0	0	112.4	T376 R377 H384 L385	T376-E380 WeakPolarHBondContact O-CB 3.31Å; T376-E380 PolarHBondContact O-N 2.7Å; R377-E380 PolarHBondContact O-N 2.76Å; E380-H384 WeakPolarHBondContact CA-ND1 3.32Å; E380-H384 PolarHBondContact O-N 3.05Å; E380-L385 HydrophobicContact CG-CG 4.5Å; E380-L385 WeakPolarHBondContact O-CB 3.45Å; E380-L385 WeakPolarHBondContact O-CG 3.41Å; E380-L385 PolarHBondContact O-N 2.8Å
381	E	90.2	Very high	89.6	Confident	104 Å²	104	47.9 Å²	47.9	49%	0.486	25%	0.253	S	S	.	.	I	π-helix	trans	-70.2	-50.8	-178.4	-170	-177.2	158.5	0	0	112.3	R377 V386	R377-E381 WeakPolarHBondContact O-CB 3.32Å; R377-E381 PolarHBondContact O-N 2.79Å; E381-V386 WeakPolarHBondContact O-CG2 3.44Å
382	Y	94.9	Very high	89.7	Confident	22 Å²	22	49.4 Å²	49.4	9%	0.086	26%	0.264	C	S	.	.	I	π-helix	trans	-101	4.7	-171.1	-60.6	-89.7	0	0	0	114.4	P366 L378 L594 H643 R644 Y645	P366-Y382 HydrophobicContact CB-CE2 4.15Å; P366-Y382 HydrophobicContact CG-CE1 4.33Å; P366-Y382 HydrophobicContact CG-CE2 4.29Å; L378-Y382 HydrophobicContact CD1-CD2 3.66Å; L378-Y382 HydrophobicContact CD1-CE2 4.1Å; L378-Y382 HydrophobicContact CD1-CG 4.46Å; L378-Y382 HydrophobicContact CG-CD2 4.43Å; L378-Y382 WeakPolarHBondContact O-CB 3.47Å; L378-Y382 PolarHBondContact O-N 2.98Å; Y382-L594 HydrophobicContact CD1-CD1 4.1Å; Y382-L594 HydrophobicContact CD1-CD2 3.44Å; Y382-L594 VanDerWaalsContact CD1-CD2 3.44Å; Y382-L594 HydrophobicContact CD1-CG 4.43Å; Y382-L594 HydrophobicContact CE1-CD1 3.87Å; Y382-L594 HydrophobicContact CE1-CD2 4.07Å; Y382-L594 HydrophobicContact CG-CD2 3.84Å; Y382-H643 HydrophobicContact CD1-CB 4.01Å; Y382-H643 HydrophobicContact CE1-CB 4.17Å; Y382-R644 CarbonylContact O-C 3.41Å; Y382-R644 WeakPolarHBondContact O-CA 3.37Å; Y382-Y645 PolarHBondContact O-N 3.48Å
383	V	95.7	Very high	90.1	Very high	12 Å²	12	45.3 Å²	45.3	7%	0.073	25%	0.245	C	C	.	.	I	π-helix	trans	-130.1	-63.1	170.4	-173	0	0	0	0	110.8	E379 V386 Y387 H483	E379-V383 CarbonylContact O-C 3.59Å; E379-V383 VanDerWaalsContact O-CA 3.28Å; E379-V383 WeakPolarHBondContact O-CA 3.27Å; E379-V383 WeakPolarHBondContact O-CB 3.44Å; E379-V383 PolarHBondContact O-N 2.83Å; V383-V386 PolarHBondContact O-N 2.92Å; V383-Y387 HydrophobicContact CG1-CD2 3.72Å; V383-Y387 HydrophobicContact CG1-CE2 3.97Å; V383-Y387 WeakPolarHBondContact O-CB 3.36Å; V383-Y387 WeakPolarHBondContact O-CD2 3.37Å; V383-Y387 PolarHBondContact O-N 2.99Å; V383-H483 HydrophobicContact CG1-CB 3.79Å; V383-H483 HydrophobicContact CG2-CB 3.96Å
384	H	95.4	Very high	90.7	Very high	23 Å²	23	43.9 Å²	43.9	11%	0.106	23%	0.229	C	C	.	.	I	π-helix	trans	-68.2	-50	-167.5	-53.9	148.4	0	0	0	113.1	E379 E380 V386 N388	E379-H384 PolarHBondContact O-N 3.15Å; E380-H384 WeakPolarHBondContact CA-ND1 3.32Å; E380-H384 PolarHBondContact O-N 3.05Å; H384-V386 VanDerWaalsContact C-N 3.34Å; H384-N388 PolarHBondContact O-N 2.94Å; H384-N388 PolarHBondContact O-ND2 2.92Å
385	L	90.4	Very high	90.9	Very high	109 Å²	109	42.8 Å²	42.8	57%	0.571	22%	0.223	S	C	*	.	H	α-helix	trans	-64.8	-41	177	-68.6	178.7	0	0	0	111	E380 A389	E380-L385 HydrophobicContact CG-CG 4.5Å; E380-L385 WeakPolarHBondContact O-CB 3.45Å; E380-L385 WeakPolarHBondContact O-CG 3.41Å; E380-L385 PolarHBondContact O-N 2.8Å; L385-A389 WeakPolarHBondContact O-CB 3.45Å; L385-A389 PolarHBondContact O-N 2.96Å
386	V	92.1	Very high	90.5	Very high	10 Å²	10	46.2 Å²	46.2	6%	0.061	25%	0.248	C	C	.	.	H	α-helix	trans	-63	-51.8	178.8	177.3	0	0	0	0	111.9	E381 V383 H384 N388 A389 I390 F642 R644	E381-V386 WeakPolarHBondContact O-CG2 3.44Å; V383-V386 PolarHBondContact O-N 2.92Å; H384-V386 VanDerWaalsContact C-N 3.34Å; V386-N388 VanDerWaalsContact C-N 3.29Å; V386-N388 PolarHBondContact O-N 3.09Å; V386-A389 PolarHBondContact O-N 3.34Å; V386-A389 VanDerWaalsContact O-N 3.09Å; V386-I390 HydrophobicContact CG1-CD1 4.24Å; V386-I390 HydrophobicContact CG1-CG1 4.49Å; V386-I390 HydrophobicContact CG1-CG2 4.11Å; V386-I390 WeakPolarHBondContact O-CG1 3.34Å; V386-I390 WeakPolarHBondContact O-CG2 3.28Å; V386-I390 PolarHBondContact O-N 2.93Å; V386-F642 HydrophobicContact CG1-CB 3.55Å; V386-F642 HydrophobicContact CG1-CD1 4.17Å; V386-F642 HydrophobicContact CG1-CG 4.11Å; V386-F642 HydrophobicContact CG2-CB 4.29Å; V386-F642 HydrophobicContact CG2-CD1 4.29Å; V386-R644 HydrophobicContact CB-CG 4.24Å; V386-R644 HydrophobicContact CG1-CG 3.44Å; V386-R644 VanDerWaalsContact CG1-CG 3.44Å
387	Y	94.8	Very high	90.1	Very high	25 Å²	25	46.7 Å²	46.7	10%	0.098	25%	0.251	C	S	.	.	H	α-helix	trans	-64.2	-33.6	-177.5	-86.1	-68.2	0	0	0	113.2	V383 I390 A391 F394 L446 H483 R644	V383-Y387 HydrophobicContact CG1-CD2 3.72Å; V383-Y387 HydrophobicContact CG1-CE2 3.97Å; V383-Y387 WeakPolarHBondContact O-CB 3.36Å; V383-Y387 WeakPolarHBondContact O-CD2 3.37Å; V383-Y387 PolarHBondContact O-N 2.99Å; Y387-I390 HydrophobicContact CD1-CD1 4.06Å; Y387-I390 HydrophobicContact CD1-CG1 4.27Å; Y387-I390 HydrophobicContact CE1-CD1 4.2Å; Y387-A391 WeakPolarHBondContact O-CB 3.34Å; Y387-A391 PolarHBondContact O-N 3.43Å; Y387-A391 VanDerWaalsContact O-N 3.16Å; Y387-F394 HydrophobicContact CD1-CD2 4.19Å; Y387-F394 HydrophobicContact CD1-CE2 4.4Å; Y387-F394 AromaticContact CE1-CD2 3.72Å; Y387-F394 HydrophobicContact CE1-CD2 3.72Å; Y387-F394 AromaticContact CE1-CE2 3.67Å; Y387-F394 HydrophobicContact CE1-CE2 3.67Å; Y387-L446 HydrophobicContact CD1-CD1 4.28Å; Y387-H483 AromaticContact CE2-CD2 3.82Å; Y387-H483 AromaticContact CE2-CE1 3.66Å; Y387-H483 AromaticContact CE2-NE2 3.31Å; Y387-H483 VanDerWaalsContact CE2-NE2 3.31Å; Y387-H483 WeakPolarHBondContact CE2-NE2 3.14Å; Y387-H483 AromaticContact CZ-CE1 3.99Å; Y387-H483 AromaticContact CZ-NE2 3.44Å; Y387-H483 PolarHBondContact OH-CE1 3.37Å; Y387-H483 PolarHBondContact OH-NE2 3.17Å; Y387-R644 PolarHBondContact OH-NH1 2.79Å
388	N	90.5	Very high	89.6	Confident	46 Å²	46	43 Å²	43	25%	0.246	24%	0.236	C	C	.	.	H	α-helix	trans	-61.4	-51.5	168.2	-78	-51.8	0	0	0	111.7	H384 V386 I390 A391 S443 S444 A445	H384-N388 PolarHBondContact O-N 2.94Å; H384-N388 PolarHBondContact O-ND2 2.92Å; V386-N388 VanDerWaalsContact C-N 3.29Å; V386-N388 PolarHBondContact O-N 3.09Å; N388-I390 VanDerWaalsContact C-N 3.33Å; N388-I390 PolarHBondContact O-N 3.2Å; N388-A391 PolarHBondContact O-N 2.92Å; N388-S443 WeakPolarHBondContact CA-OG 3.25Å; N388-S443 VanDerWaalsContact OD1-CA 3.22Å; N388-S443 WeakPolarHBondContact OD1-CA 3.45Å; N388-S443 WeakPolarHBondContact OD1-CB 3.49Å; N388-S443 PolarHBondContact OD1-OG 3.37Å; N388-S444 PolarHBondContact OD1-N 3.26Å; N388-S444 VanDerWaalsContact OD1-N 3.12Å; N388-S444 PolarHBondContact OD1-OG 2.75Å; N388-A445 PolarHBondContact OD1-N 3.33Å
389	A	89.3	Confident	89	Confident	59 Å²	59	48.2 Å²	48.2	49%	0.488	26%	0.26	S	S	.	.	H	α-helix	trans	-63.5	-32.8	-178.1	0	0	0	0	0	113.9	L385 V386 F642	L385-A389 WeakPolarHBondContact O-CB 3.45Å; L385-A389 PolarHBondContact O-N 2.96Å; V386-A389 PolarHBondContact O-N 3.34Å; V386-A389 VanDerWaalsContact O-N 3.09Å; A389-F642 HydrophobicContact CB-CD1 4.37Å; A389-F642 HydrophobicContact CB-CE1 3.57Å; A389-F642 HydrophobicContact CB-CZ 3.91Å
390	I	91.5	Very high	88.6	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-96.2	-2.9	-176.5	74.9	169.9	0	0	0	114.1	V386 Y387 N388 S392 H393 F394 W597 L599 F642	V386-I390 HydrophobicContact CG1-CD1 4.24Å; V386-I390 HydrophobicContact CG1-CG1 4.49Å; V386-I390 HydrophobicContact CG1-CG2 4.11Å; V386-I390 WeakPolarHBondContact O-CG1 3.34Å; V386-I390 WeakPolarHBondContact O-CG2 3.28Å; V386-I390 PolarHBondContact O-N 2.93Å; Y387-I390 HydrophobicContact CD1-CD1 4.06Å; Y387-I390 HydrophobicContact CD1-CG1 4.27Å; Y387-I390 HydrophobicContact CE1-CD1 4.2Å; N388-I390 VanDerWaalsContact C-N 3.33Å; N388-I390 PolarHBondContact O-N 3.2Å; I390-S392 VanDerWaalsContact C-N 3.34Å; I390-S392 PolarHBondContact O-N 2.82Å; I390-S392 VanDerWaalsContact O-N 3.13Å; I390-H393 PolarHBondContact O-N 2.69Å; I390-F394 HydrophobicContact CD1-CB 4.49Å; I390-F394 HydrophobicContact CG1-CB 4.33Å; I390-F394 PolarHBondContact O-N 2.64Å; I390-W597 VanDerWaalsContact CD1-CD1 3.49Å; I390-W597 HydrophobicContact CD1-CD2 4.19Å; I390-W597 HydrophobicContact CD1-CG 3.85Å; I390-L599 HydrophobicContact CB-CD2 4.16Å; I390-L599 HydrophobicContact CG2-CD2 4.08Å; I390-F642 HydrophobicContact CG2-CB 4.23Å; I390-F642 HydrophobicContact CG2-CD1 4.17Å; I390-F642 HydrophobicContact CG2-CD2 3.48Å; I390-F642 VanDerWaalsContact CG2-CD2 3.48Å; I390-F642 HydrophobicContact CG2-CE1 4.41Å; I390-F642 HydrophobicContact CG2-CE2 3.76Å; I390-F642 HydrophobicContact CG2-CG 3.7Å; I390-F642 HydrophobicContact CG2-CZ 4.22Å
391	A	90.8	Very high	88.5	Confident	4 Å²	4	50 Å²	50	3%	0.033	28%	0.279	C	S	.	.	H	α-helix	trans	-48	-46.6	-166.3	0	0	0	0	0	114.6	Y387 N388 F394 S395 A445 L446 I449	Y387-A391 WeakPolarHBondContact O-CB 3.34Å; Y387-A391 PolarHBondContact O-N 3.43Å; Y387-A391 VanDerWaalsContact O-N 3.16Å; N388-A391 PolarHBondContact O-N 2.92Å; A391-F394 PolarHBondContact O-N 2.73Å; A391-S395 VanDerWaalsContact O-CB 3.23Å; A391-S395 WeakPolarHBondContact O-CB 3.42Å; A391-S395 PolarHBondContact O-N 3.38Å; A391-A445 HydrophobicContact CB-CB 3.56Å; A391-L446 HydrophobicContact CB-CD2 3.77Å; A391-L446 HydrophobicContact CB-CG 3.88Å; A391-I449 HydrophobicContact CB-CD1 4.21Å
392	S	84.6	Confident	88.6	Confident	91 Å²	91	48.9 Å²	48.9	64%	0.636	27%	0.271	S	S	*	.	H	α-helix	trans	-66	-41.3	-179.9	-176.9	0	0	0	0	113.3	I390 S395 S396	I390-S392 VanDerWaalsContact C-N 3.34Å; I390-S392 PolarHBondContact O-N 2.82Å; I390-S392 VanDerWaalsContact O-N 3.13Å; S392-S395 PolarHBondContact O-N 3.36Å; S392-S396 PolarHBondContact O-N 2.77Å; S392-S396 VanDerWaalsContact O-N 3.11Å; S392-S396 PolarHBondContact O-OG 3.34Å
393	H	87.1	Confident	88.5	Confident	32 Å²	32	53.1 Å²	53.1	15%	0.148	30%	0.301	C	S	.	.	H	α-helix	trans	-75.1	-36	176.1	-178.9	-95.9	0	0	0	112	I390 S395 S396 T397 W597 H598 L599 K600	I390-H393 PolarHBondContact O-N 2.69Å; H393-S395 VanDerWaalsContact C-N 3.35Å; H393-S396 WeakPolarHBondContact CA-OG 3.39Å; H393-S396 PolarHBondContact O-OG 3.26Å; H393-T397 WeakPolarHBondContact O-CB 3.35Å; H393-T397 WeakPolarHBondContact O-CG2 3.47Å; H393-T397 PolarHBondContact O-N 3.26Å; H393-T397 VanDerWaalsContact O-N 3.14Å; H393-T397 PolarHBondContact O-OG1 3.16Å; H393-W597 AromaticContact CE1-CE2 3.92Å; H393-W597 AromaticContact CE1-CZ2 3.57Å; H393-W597 AromaticContact ND1-CE2 3.42Å; H393-W597 AromaticContact ND1-CZ2 3.18Å; H393-W597 WeakPolarHBondContact ND1-CZ2 3.43Å; H393-W597 AromaticContact ND1-NE1 3.29Å; H393-W597 PolarHBondContact ND1-NE1 2.9Å; H393-H598 PolarHBondContact CE1-O 2.78Å; H393-H598 VanDerWaalsContact CE1-O 3.24Å; H393-L599 HydrophobicContact CB-CD2 3.47Å; H393-L599 VanDerWaalsContact CB-CD2 3.47Å; H393-K600 PolarHBondContact NE2-N 2.98Å
394	F	90.1	Very high	88.5	Confident	26 Å²	26	58.3 Å²	58.3	11%	0.114	32%	0.319	C	S	.	.	H	α-helix	trans	-56.9	-50.5	169.3	177	-79.4	0	0	0	110.3	Y387 I390 A391 S396 T397 R398 L446	Y387-F394 HydrophobicContact CD1-CD2 4.19Å; Y387-F394 HydrophobicContact CD1-CE2 4.4Å; Y387-F394 AromaticContact CE1-CD2 3.72Å; Y387-F394 HydrophobicContact CE1-CD2 3.72Å; Y387-F394 AromaticContact CE1-CE2 3.67Å; Y387-F394 HydrophobicContact CE1-CE2 3.67Å; I390-F394 HydrophobicContact CD1-CB 4.49Å; I390-F394 HydrophobicContact CG1-CB 4.33Å; I390-F394 PolarHBondContact O-N 2.64Å; A391-F394 PolarHBondContact O-N 2.73Å; F394-S396 PolarHBondContact O-N 3.2Å; F394-T397 PolarHBondContact O-N 2.75Å; F394-T397 PolarHBondContact O-OG1 2.81Å; F394-R398 HydrophobicContact CE1-CB 4.47Å; F394-R398 WeakPolarHBondContact O-CB 3.27Å; F394-R398 PolarHBondContact O-N 2.99Å; F394-L446 HydrophobicContact CD1-CD2 3.94Å; F394-L446 HydrophobicContact CE1-CD2 4.49Å
395	S	88.4	Confident	88.6	Confident	8 Å²	8	57.2 Å²	57.2	6%	0.056	31%	0.314	C	S	.	.	H	α-helix	trans	-66.9	-38.8	-173.4	-177.1	0	0	0	0	113.4	A391 S392 H393 N425 I449 R453	A391-S395 VanDerWaalsContact O-CB 3.23Å; A391-S395 WeakPolarHBondContact O-CB 3.42Å; A391-S395 PolarHBondContact O-N 3.38Å; S392-S395 PolarHBondContact O-N 3.36Å; H393-S395 VanDerWaalsContact C-N 3.35Å; S395-N425 WeakPolarHBondContact CA-ND2 3.34Å; S395-N425 PolarHBondContact O-ND2 2.98Å; S395-N425 WeakPolarHBondContact OG-CB 3.3Å; S395-N425 PolarHBondContact OG-ND2 3.2Å; S395-N425 VanDerWaalsContact OG-ND2 3.14Å; S395-I449 WeakPolarHBondContact OG-CG2 3.23Å; S395-R453 PolarHBondContact OG-NH2 2.83Å
396	S	81.8	Confident	88.9	Confident	73 Å²	73	53.5 Å²	53.5	51%	0.51	30%	0.297	S	S	.	.	H	α-helix	trans	-70.7	-35.7	176	46.6	0	0	0	0	112.9	S392 H393 F394 H399	S392-S396 PolarHBondContact O-N 2.77Å; S392-S396 VanDerWaalsContact O-N 3.11Å; S392-S396 PolarHBondContact O-OG 3.34Å; H393-S396 WeakPolarHBondContact CA-OG 3.39Å; H393-S396 PolarHBondContact O-OG 3.26Å; F394-S396 PolarHBondContact O-N 3.2Å; S396-H399 PolarHBondContact O-ND1 3.38Å
397	T	78	Confident	89.1	Confident	71 Å²	71	59.8 Å²	59.8	44%	0.436	33%	0.325	S	S	.	.	H	α-helix	trans	-84.8	-14.8	180	57	0	0	0	0	114.8	H393 F394	H393-T397 WeakPolarHBondContact O-CB 3.35Å; H393-T397 WeakPolarHBondContact O-CG2 3.47Å; H393-T397 PolarHBondContact O-N 3.26Å; H393-T397 VanDerWaalsContact O-N 3.14Å; H393-T397 PolarHBondContact O-OG1 3.16Å; F394-T397 PolarHBondContact O-N 2.75Å; F394-T397 PolarHBondContact O-OG1 2.81Å
398	R	77.3	Confident	89.3	Confident	73 Å²	73	59.1 Å²	59.1	28%	0.275	32%	0.323	S	S	.	.			trans	-128.9	73	-179.1	-64.4	-175.4	175.2	92.5	-5.7	112	F394 N425 W597	F394-R398 HydrophobicContact CE1-CB 4.47Å; F394-R398 WeakPolarHBondContact O-CB 3.27Å; F394-R398 PolarHBondContact O-N 2.99Å; R398-N425 PolarHBondContact O-ND2 2.94Å; R398-W597 VanDerWaalsContact NH1-CZ3 3.3Å
399	H	77.8	Confident	89.6	Confident	123 Å²	123	57 Å²	57	57%	0.569	31%	0.311	S	S	*	.			trans	-104.4	-24.3	176.1	60.5	-95.5	0	0	0	113.9	S396 P401	S396-H399 PolarHBondContact O-ND1 3.38Å; H399-P401 WeakPolarHBondContact O-CD 3.2Å
400	T	87.3	Confident	90	Very high	94 Å²	94	57.9 Å²	57.9	58%	0.577	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-76.7	121.8	-177.5	-35.5	0	0	0	0	112.4	K427	T400-K427 WeakPolarHBondContact O-CD 3.49Å; T400-K427 PolarHBondContact O-NZ 3.41Å
401	P	90.2	Very high	90.3	Very high	44 Å²	44	61.3 Å²	61.3	29%	0.286	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-62.2	156.8	169.5	-25	38.2	0	0	0	112.6	H399 C406 Y428 V431	H399-P401 WeakPolarHBondContact O-CD 3.2Å; P401-C406 WeakPolarHBondContact CB-SG 3.37Å; P401-Y428 HydrophobicContact CB-CD1 4.29Å; P401-Y428 HydrophobicContact CB-CE1 4.03Å; P401-V431 HydrophobicContact CB-CG2 4.13Å; P401-V431 HydrophobicContact CG-CG2 3.92Å
402	W	92.6	Very high	90.6	Very high	80 Å²	80	61.6 Å²	61.6	30%	0.303	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-92.7	130.9	177.8	-67	-16.2	0	0	0	110.8	R404 V405 C406 I478 Y510	W402-R404 PolarHBondContact O-N 2.74Å; W402-V405 HydrophobicContact CB-CB 4.41Å; W402-V405 HydrophobicContact CB-CG2 4.03Å; W402-V405 HydrophobicContact CE3-CG2 4.27Å; W402-V405 PolarHBondContact O-N 3.25Å; W402-C406 PolarHBondContact O-N 3.49Å; W402-C406 PolarHBondContact O-SG 2.77Å; W402-C406 VanDerWaalsContact O-SG 3.38Å; W402-I478 HydrophobicContact CE3-CG2 3.81Å; W402-I478 HydrophobicContact CH2-CG2 4.46Å; W402-I478 HydrophobicContact CZ3-CG2 3.6Å; W402-Y510 AromaticContact CE3-CD1 3.73Å; W402-Y510 HydrophobicContact CE3-CD1 3.73Å; W402-Y510 AromaticContact CE3-CE1 3.75Å; W402-Y510 HydrophobicContact CE3-CE1 3.75Å; W402-Y510 HydrophobicContact CE3-CG 4.47Å; W402-Y510 AromaticContact CZ3-CD1 3.46Å; W402-Y510 HydrophobicContact CZ3-CD1 3.46Å; W402-Y510 VanDerWaalsContact CZ3-CD1 3.46Å; W402-Y510 AromaticContact CZ3-CE1 3.95Å; W402-Y510 HydrophobicContact CZ3-CE1 3.95Å; W402-Y510 HydrophobicContact CZ3-CG 4.16Å
403	P	93.6	Very high	91.2	Very high	110 Å²	110	61 Å²	61	71%	0.714	33%	0.333	S	S	*	.	H	α-helix	trans	-55.6	-39.6	-169.2	-30	35.9	0	0	0	115.8	C406 H407	P403-C406 WeakPolarHBondContact O-CB 3.49Å; P403-C406 PolarHBondContact O-N 2.74Å; P403-H407 PolarHBondContact O-N 3.15Å
404	R	95.5	Very high	91.7	Very high	122 Å²	122	64.1 Å²	64.1	46%	0.46	36%	0.356	S	S	.	.	H	α-helix	trans	-69.5	-37.4	177.5	-76.2	-172.6	178.1	-156.2	-0.7	112.9	W402 H407 F408 Y510	W402-R404 PolarHBondContact O-N 2.74Å; R404-H407 PolarHBondContact O-N 3.04Å; R404-F408 PolarHBondContact O-N 3.46Å; R404-Y510 VanDerWaalsContact CB-OH 3.25Å; R404-Y510 WeakPolarHBondContact CB-OH 3.5Å
405	V	97.2	Very high	92.1	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-65.5	-40.5	172.1	-173.4	0	0	0	0	110.3	W402 H407 F408 L409 Y428 I478 L508 Y510	W402-V405 HydrophobicContact CB-CB 4.41Å; W402-V405 HydrophobicContact CB-CG2 4.03Å; W402-V405 HydrophobicContact CE3-CG2 4.27Å; W402-V405 PolarHBondContact O-N 3.25Å; V405-H407 PolarHBondContact O-N 3.11Å; V405-F408 PolarHBondContact O-N 2.61Å; V405-L409 HydrophobicContact CG1-CD1 4.03Å; V405-L409 HydrophobicContact CG1-CG 4.48Å; V405-L409 VanDerWaalsContact O-CG 3.26Å; V405-L409 WeakPolarHBondContact O-CG 3.28Å; V405-L409 PolarHBondContact O-N 3.14Å; V405-Y428 HydrophobicContact CB-CD1 4.34Å; V405-Y428 HydrophobicContact CB-CE1 3.72Å; V405-Y428 HydrophobicContact CG1-CD1 3.65Å; V405-Y428 HydrophobicContact CG1-CD2 4.45Å; V405-Y428 HydrophobicContact CG1-CE1 3.44Å; V405-Y428 VanDerWaalsContact CG1-CE1 3.44Å; V405-Y428 HydrophobicContact CG1-CE2 4.27Å; V405-Y428 HydrophobicContact CG1-CG 4.16Å; V405-Y428 HydrophobicContact CG2-CE1 4.36Å; V405-I478 HydrophobicContact CG1-CD1 4.22Å; V405-I478 HydrophobicContact CG1-CG1 4.27Å; V405-I478 HydrophobicContact CG2-CD1 4.08Å; V405-I478 HydrophobicContact CG2-CG2 4.49Å; V405-L508 HydrophobicContact CB-CD2 4.4Å; V405-L508 HydrophobicContact CG1-CD2 4.19Å; V405-L508 HydrophobicContact CG2-CD2 4.22Å; V405-Y510 HydrophobicContact CG2-CD2 4.15Å; V405-Y510 HydrophobicContact CG2-CE1 4.48Å; V405-Y510 HydrophobicContact CG2-CE2 3.62Å
406	C	96.3	Very high	92.6	Very high	31 Å²	31	65.1 Å²	65.1	21%	0.209	37%	0.373	C	S	.	.	H	α-helix	trans	-61.4	-43.5	172.5	-60.8	0	0	0	0	112.4	P401 W402 P403 F408 L409 S410 V431	P401-C406 WeakPolarHBondContact CB-SG 3.37Å; W402-C406 PolarHBondContact O-N 3.49Å; W402-C406 PolarHBondContact O-SG 2.77Å; W402-C406 VanDerWaalsContact O-SG 3.38Å; P403-C406 WeakPolarHBondContact O-CB 3.49Å; P403-C406 PolarHBondContact O-N 2.74Å; C406-F408 PolarHBondContact O-N 2.87Å; C406-L409 PolarHBondContact O-N 2.94Å; C406-S410 WeakPolarHBondContact O-CB 3.37Å; C406-S410 PolarHBondContact O-N 2.94Å; C406-S410 PolarHBondContact O-OG 3.35Å; C406-V431 HydrophobicContact CB-CG1 4Å
407	H	96.9	Very high	93.4	Very high	142 Å²	142	63.4 Å²	63.4	66%	0.657	36%	0.359	S	S	*	.	H	α-helix	trans	-60.7	-44.1	178.3	-179.5	72.2	0	0	0	111.7	P403 R404 V405 S410 S411	P403-H407 PolarHBondContact O-N 3.15Å; R404-H407 PolarHBondContact O-N 3.04Å; V405-H407 PolarHBondContact O-N 3.11Å; H407-S410 PolarHBondContact O-N 3.4Å; H407-S411 WeakPolarHBondContact O-CB 3.42Å; H407-S411 PolarHBondContact O-N 2.88Å; H407-S411 PolarHBondContact O-OG 3.38Å
408	F	98.2	Very high	94.4	Very high	10 Å²	10	60.1 Å²	60.1	4%	0.044	34%	0.339	C	S	.	.	H	α-helix	trans	-56.3	-53.6	171.7	177.4	-101.1	0	0	0	111.3	R404 V405 C406 S410 S411 L412 A474 I476 Q506 L508 I679	R404-F408 PolarHBondContact O-N 3.46Å; V405-F408 PolarHBondContact O-N 2.61Å; C406-F408 PolarHBondContact O-N 2.87Å; F408-S410 VanDerWaalsContact C-N 3.31Å; F408-S410 PolarHBondContact O-N 3.07Å; F408-S411 PolarHBondContact O-N 2.74Å; F408-S411 PolarHBondContact O-OG 2.89Å; F408-L412 HydrophobicContact CE1-CD1 4.34Å; F408-L412 HydrophobicContact CZ-CD2 4.36Å; F408-L412 PolarHBondContact O-N 2.88Å; F408-A474 HydrophobicContact CE1-CB 4.46Å; F408-A474 HydrophobicContact CZ-CB 4.39Å; F408-I476 HydrophobicContact CD1-CG2 3.98Å; F408-I476 HydrophobicContact CE1-CG2 3.7Å; F408-Q506 HydrophobicContact CE2-CB 4.18Å; F408-Q506 HydrophobicContact CZ-CB 4.11Å; F408-L508 HydrophobicContact CB-CD2 3.83Å; F408-L508 HydrophobicContact CD1-CB 3.94Å; F408-L508 HydrophobicContact CD1-CD2 3.78Å; F408-L508 HydrophobicContact CD2-CB 4.38Å; F408-L508 HydrophobicContact CD2-CD2 4.47Å; F408-L508 HydrophobicContact CE1-CB 3.79Å; F408-L508 HydrophobicContact CE1-CD2 4.47Å; F408-L508 HydrophobicContact CE2-CB 4.24Å; F408-L508 HydrophobicContact CG-CB 4.24Å; F408-L508 HydrophobicContact CG-CD2 3.78Å; F408-L508 HydrophobicContact CZ-CB 3.94Å; F408-I679 HydrophobicContact CD2-CD1 4.05Å; F408-I679 HydrophobicContact CE2-CD1 4.4Å; F408-I679 HydrophobicContact CE2-CG2 4.37Å
409	L	98.1	Very high	95.4	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-63.2	-33	-178.4	-66.5	171.1	0	0	0	113.7	V405 C406 L412 L418 Y428 V431 N432 L435 I476	V405-L409 HydrophobicContact CG1-CD1 4.03Å; V405-L409 HydrophobicContact CG1-CG 4.48Å; V405-L409 VanDerWaalsContact O-CG 3.26Å; V405-L409 WeakPolarHBondContact O-CG 3.28Å; V405-L409 PolarHBondContact O-N 3.14Å; C406-L409 PolarHBondContact O-N 2.94Å; L409-L412 HydrophobicContact CD2-CD1 4.19Å; L409-L418 HydrophobicContact CD2-CD1 3.93Å; L409-L418 HydrophobicContact CD2-CD2 3.52Å; L409-L418 HydrophobicContact CD2-CG 4.39Å; L409-Y428 HydrophobicContact CD1-CD1 4.02Å; L409-Y428 HydrophobicContact CD1-CG 4.25Å; L409-V431 HydrophobicContact CB-CG1 4.28Å; L409-V431 HydrophobicContact CD1-CB 4.11Å; L409-V431 HydrophobicContact CD1-CG1 4.21Å; L409-N432 PolarHBondContact O-ND2 3.21Å; L409-L435 HydrophobicContact CD2-CD1 4.48Å; L409-I476 HydrophobicContact CD1-CD1 4.39Å; L409-I476 HydrophobicContact CD2-CD1 4.42Å; L409-I476 HydrophobicContact CD2-CG2 4.15Å
410	S	97.1	Very high	96.4	Very high	78 Å²	78	51 Å²	51	55%	0.545	30%	0.3	S	S	.	.	H	α-helix	trans	-80.8	-13.8	174.6	-63.7	0	0	0	0	113.7	C406 H407 F408	C406-S410 WeakPolarHBondContact O-CB 3.37Å; C406-S410 PolarHBondContact O-N 2.94Å; C406-S410 PolarHBondContact O-OG 3.35Å; H407-S410 PolarHBondContact O-N 3.4Å; F408-S410 VanDerWaalsContact C-N 3.31Å; F408-S410 PolarHBondContact O-N 3.07Å
411	S	96.9	Very high	96.9	Very high	74 Å²	74	46.6 Å²	46.6	52%	0.517	27%	0.273	S	S	.	.	H	α-helix	trans	-86.3	-15.2	173.7	74.5	0	0	0	0	113.5	H407 F408	H407-S411 WeakPolarHBondContact O-CB 3.42Å; H407-S411 PolarHBondContact O-N 2.88Å; H407-S411 PolarHBondContact O-OG 3.38Å; F408-S411 PolarHBondContact O-N 2.74Å; F408-S411 PolarHBondContact O-OG 2.89Å
412	L	97.8	Very high	97.3	Very high	11 Å²	11	45.2 Å²	45.2	6%	0.058	27%	0.267	C	S	.	.	S	Bend	trans	-68.9	139.3	177.5	-66.2	176.8	0	0	0	111.2	F408 L409 L418 L435 A474	F408-L412 HydrophobicContact CE1-CD1 4.34Å; F408-L412 HydrophobicContact CZ-CD2 4.36Å; F408-L412 PolarHBondContact O-N 2.88Å; L409-L412 HydrophobicContact CD2-CD1 4.19Å; L412-L418 HydrophobicContact CD1-CD1 4.31Å; L412-L435 HydrophobicContact CB-CD1 4.33Å; L412-L435 HydrophobicContact CB-CD2 3.78Å; L412-L435 HydrophobicContact CD1-CD1 3.85Å; L412-A474 HydrophobicContact CD1-CB 3.55Å; L412-A474 HydrophobicContact CD2-CB 3.7Å; L412-A474 HydrophobicContact CG-CB 4.29Å
413	P	97.8	Very high	97.5	Very high	78 Å²	78	41.7 Å²	41.7	51%	0.506	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-58.2	149.5	179.1	-26.2	34.7	0	0	0	114.2	G415 S416 L435	P413-G415 PolarHBondContact O-N 3.38Å; P413-S416 VanDerWaalsContact O-CB 3.3Å; P413-S416 WeakPolarHBondContact O-CB 3.34Å; P413-S416 PolarHBondContact O-N 2.89Å; P413-S416 PolarHBondContact O-OG 3.24Å; P413-L435 WeakPolarHBondContact O-CD2 3.43Å
414	P	97.9	Very high	97.7	Very high	97 Å²	97	36.8 Å²	36.8	63%	0.63	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	134.5	172.2	-21.1	32.6	0	0	0	111.3	S416 Q434	P414-S416 VanDerWaalsContact C-N 3.34Å; P414-Q434 HydrophobicContact CB-CB 4.27Å
415	G	97.5	Very high	97.7	Very high	42 Å²	42	31.1 Å²	31.1	43%	0.433	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	-4.6	-177.5	0	0	0	0	0	115.4	P413 Q434	P413-G415 PolarHBondContact O-N 3.38Å; G415-Q434 PolarHBondContact N-O 2.94Å
416	S	98.5	Very high	97.7	Very high	14 Å²	14	31.2 Å²	31.2	10%	0.098	20%	0.204	C	C	.	.			trans	-61.5	140.2	175.6	-75.5	0	0	0	0	112.5	P413 P414 I436	P413-S416 VanDerWaalsContact O-CB 3.3Å; P413-S416 WeakPolarHBondContact O-CB 3.34Å; P413-S416 PolarHBondContact O-N 2.89Å; P413-S416 PolarHBondContact O-OG 3.24Å; P414-S416 VanDerWaalsContact C-N 3.34Å; S416-I436 PolarHBondContact O-N 3Å
417	V	98.7	Very high	97.7	Very high	37 Å²	37	31.3 Å²	31.3	22%	0.224	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	123.7	177	-178.6	0	0	0	0	109.8	I436 D473 A474	V417-I436 WeakPolarHBondContact CA-O 3.45Å; V417-I436 HydrophobicContact CG2-CB 4.29Å; V417-I436 HydrophobicContact CG2-CD1 4.5Å; V417-I436 HydrophobicContact CG2-CG2 4.49Å; V417-D473 WeakPolarHBondContact CB-OD2 3.45Å; V417-D473 PolarHBondContact N-OD2 2.84Å; V417-D473 PolarHBondContact O-N 3.15Å; V417-A474 PolarHBondContact O-N 2.82Å; V417-A474 VanDerWaalsContact O-N 3.1Å
418	L	98.7	Very high	97.7	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.5	-179.1	175.1	71.7	0	0	0	111.1	L409 L412 L435 I436 T437 V438 A474 I476	L409-L418 HydrophobicContact CD2-CD1 3.93Å; L409-L418 HydrophobicContact CD2-CD2 3.52Å; L409-L418 HydrophobicContact CD2-CG 4.39Å; L412-L418 HydrophobicContact CD1-CD1 4.31Å; L418-L435 HydrophobicContact CB-CD1 4.46Å; L418-L435 HydrophobicContact CD2-CD1 4.11Å; L418-I436 PolarHBondContact N-O 3.33Å; L418-T437 HydrophobicContact CB-CG2 4.22Å; L418-T437 HydrophobicContact CD2-CG2 3.83Å; L418-V438 PolarHBondContact O-N 2.98Å; L418-A474 WeakPolarHBondContact CA-O 3.49Å; L418-A474 HydrophobicContact CD1-CB 4Å; L418-I476 HydrophobicContact CD1-CG2 4.21Å
419	A	98.7	Very high	97.6	Very high	2 Å²	2	24.8 Å²	24.8	2%	0.017	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	123.5	163.6	0	0	0	0	0	111.6	V421 V438 L467 A474 C475 I476 L500	A419-V421 HydrophobicContact CB-CG2 4.12Å; A419-V438 WeakPolarHBondContact CA-O 3.48Å; A419-L467 HydrophobicContact CB-CD1 4.21Å; A419-A474 PolarHBondContact N-O 3.02Å; A419-A474 VanDerWaalsContact N-O 3.1Å; A419-C475 CarbonylContact O-C 3.59Å; A419-C475 VanDerWaalsContact O-CA 3.28Å; A419-C475 WeakPolarHBondContact O-CA 3.42Å; A419-I476 PolarHBondContact O-N 2.85Å; A419-L500 HydrophobicContact CB-CD1 4.29Å
420	D	98.7	Very high	97.4	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	100.7	170.2	-170.3	0.9	0	0	0	108.3	C423 L429 V438 G439 C440 I476	D420-C423 HydrophobicContact CB-CB 3.78Å; D420-C423 WeakPolarHBondContact O-CB 3.18Å; D420-C423 WeakPolarHBondContact OD1-CA 3.4Å; D420-C423 WeakPolarHBondContact OD2-CB 3.04Å; D420-L429 HydrophobicContact CB-CD2 3.63Å; D420-L429 HydrophobicContact CB-CG 4.38Å; D420-V438 PolarHBondContact N-O 3.14Å; D420-G439 CarbonylContact O-C 3.53Å; D420-G439 WeakPolarHBondContact O-CA 3.49Å; D420-C440 PolarHBondContact O-N 3.13Å; D420-I476 HydrophobicContact CB-CD1 4.2Å; D420-I476 HydrophobicContact CB-CG1 3.95Å; D420-I476 WeakPolarHBondContact OD1-CG1 3.25Å
421	V	98.6	Very high	97.4	Very high	2 Å²	2	25 Å²	25	1%	0.012	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	105.8	-169.3	178.7	0	0	0	0	109.6	A419 A462 V465 I476 S477 L497 L500	A419-V421 HydrophobicContact CB-CG2 4.12Å; V421-A462 HydrophobicContact CG1-CB 3.57Å; V421-V465 HydrophobicContact CG1-CG2 4.19Å; V421-I476 PolarHBondContact N-O 2.91Å; V421-S477 PolarHBondContact O-OG 2.82Å; V421-L497 HydrophobicContact CB-CD2 3.79Å; V421-L497 HydrophobicContact CG1-CD2 4.16Å; V421-L497 HydrophobicContact CG2-CD2 3.82Å; V421-L500 HydrophobicContact CG2-CD1 4.04Å
422	G	98	Very high	97.4	Very high	16 Å²	16	22.3 Å²	22.3	17%	0.165	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	47.8	-159.8	0	0	0	0	0	111.6	G424 C440	G422-G424 PolarHBondContact O-N 3.05Å; G422-G424 VanDerWaalsContact O-N 3.09Å; G422-C440 CarbonylContact C-O 3.52Å; G422-C440 VanDerWaalsContact CA-O 3.26Å; G422-C440 WeakPolarHBondContact CA-O 3.29Å; G422-C440 PolarHBondContact N-O 3.41Å
423	C	97.9	Very high	97.3	Very high	6 Å²	6	27.6 Å²	27.6	4%	0.041	19%	0.192	C	C	.	.			trans	-65.5	-11.9	-171.9	67.7	0	0	0	0	114.9	D420 N425 G426 L429 C440	D420-C423 HydrophobicContact CB-CB 3.78Å; D420-C423 WeakPolarHBondContact O-CB 3.18Å; D420-C423 WeakPolarHBondContact OD1-CA 3.4Å; D420-C423 WeakPolarHBondContact OD2-CB 3.04Å; C423-N425 PolarHBondContact O-N 3.29Å; C423-G426 PolarHBondContact O-N 3.36Å; C423-L429 HydrophobicContact CB-CD1 4.39Å; C423-C440 PolarHBondContact N-O 3.02Å
424	G	97.1	Very high	97.2	Very high	7 Å²	7	29.5 Å²	29.5	7%	0.072	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	-124.5	-174	0	0	0	0	0	111.3	G422 G426 D441 C450	G422-G424 PolarHBondContact O-N 3.05Å; G422-G424 VanDerWaalsContact O-N 3.09Å; G424-G426 PolarHBondContact O-N 3.2Å; G424-D441 VanDerWaalsContact CA-OD2 3.26Å; G424-D441 WeakPolarHBondContact CA-OD2 3.38Å; G424-D441 PolarHBondContact N-OD2 2.73Å; G424-C450 PolarHBondContact O-SG 2.8Å
425	N	95.9	Very high	97.2	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.016	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	19.4	177.6	68.3	-19.9	0	0	0	114.3	S395 R398 C423 K427 L446 I449 R453	S395-N425 WeakPolarHBondContact CA-ND2 3.34Å; S395-N425 PolarHBondContact O-ND2 2.98Å; S395-N425 WeakPolarHBondContact OG-CB 3.3Å; S395-N425 PolarHBondContact OG-ND2 3.2Å; S395-N425 VanDerWaalsContact OG-ND2 3.14Å; R398-N425 PolarHBondContact O-ND2 2.94Å; C423-N425 PolarHBondContact O-N 3.29Å; N425-K427 VanDerWaalsContact C-N 3.33Å; N425-K427 PolarHBondContact O-N 2.83Å; N425-L446 HydrophobicContact CB-CD2 4.43Å; N425-I449 HydrophobicContact CB-CG2 3.86Å; N425-R453 VanDerWaalsContact CG-NH1 3.31Å; N425-R453 PolarHBondContact ND2-NH1 3.11Å; N425-R453 PolarHBondContact O-NH1 3.49Å
426	G	96.7	Very high	97.3	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.01	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	26.2	177.1	0	0	0	0	0	113.4	C423 G424 Y428 L429 C450 F455	C423-G426 PolarHBondContact O-N 3.36Å; G424-G426 PolarHBondContact O-N 3.2Å; G426-Y428 PolarHBondContact O-N 2.83Å; G426-L429 PolarHBondContact O-N 3.42Å; G426-C450 VanDerWaalsContact CA-SG 3.52Å; G426-C450 PolarHBondContact N-SG 3.27Å; G426-F455 VanDerWaalsContact O-CE2 3.3Å; G426-F455 WeakPolarHBondContact O-CE2 3.28Å
427	K	95.3	Very high	97.3	Very high	33 Å²	33	29 Å²	29	14%	0.143	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-27.8	-171.9	-158.4	-175.5	68.9	155.9	0	114	T400 N425	T400-K427 WeakPolarHBondContact O-CD 3.49Å; T400-K427 PolarHBondContact O-NZ 3.41Å; N425-K427 VanDerWaalsContact C-N 3.33Å; N425-K427 PolarHBondContact O-N 2.83Å
428	Y	97.6	Very high	97.2	Very high	12 Å²	12	28.6 Å²	28.6	5%	0.047	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-19.9	-176.2	-63.8	-61.5	0	0	0	114	P401 V405 L409 G426 G430 V431 I476 I478	P401-Y428 HydrophobicContact CB-CD1 4.29Å; P401-Y428 HydrophobicContact CB-CE1 4.03Å; V405-Y428 HydrophobicContact CB-CD1 4.34Å; V405-Y428 HydrophobicContact CB-CE1 3.72Å; V405-Y428 HydrophobicContact CG1-CD1 3.65Å; V405-Y428 HydrophobicContact CG1-CD2 4.45Å; V405-Y428 HydrophobicContact CG1-CE1 3.44Å; V405-Y428 VanDerWaalsContact CG1-CE1 3.44Å; V405-Y428 HydrophobicContact CG1-CE2 4.27Å; V405-Y428 HydrophobicContact CG1-CG 4.16Å; V405-Y428 HydrophobicContact CG2-CE1 4.36Å; L409-Y428 HydrophobicContact CD1-CD1 4.02Å; L409-Y428 HydrophobicContact CD1-CG 4.25Å; G426-Y428 PolarHBondContact O-N 2.83Å; Y428-G430 PolarHBondContact O-N 3.45Å; Y428-G430 VanDerWaalsContact O-N 3.09Å; Y428-V431 HydrophobicContact CD1-CG2 4.34Å; Y428-V431 WeakPolarHBondContact O-CB 3.29Å; Y428-V431 PolarHBondContact O-N 2.88Å; Y428-I476 HydrophobicContact CD2-CD1 3.85Å; Y428-I476 HydrophobicContact CG-CD1 3.87Å; Y428-I478 HydrophobicContact CD2-CB 4.48Å; Y428-I478 HydrophobicContact CD2-CG1 4.26Å; Y428-I478 HydrophobicContact CE2-CB 3.77Å; Y428-I478 HydrophobicContact CE2-CG1 3.84Å; Y428-I478 HydrophobicContact CE2-CG2 3.68Å
429	L	96.6	Very high	97.2	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.021	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-23.3	-173.3	-66.2	174.8	0	0	0	114.6	D420 C423 G426 T437 F455	D420-L429 HydrophobicContact CB-CD2 3.63Å; D420-L429 HydrophobicContact CB-CG 4.38Å; C423-L429 HydrophobicContact CB-CD1 4.39Å; G426-L429 PolarHBondContact O-N 3.42Å; L429-T437 WeakPolarHBondContact O-CG2 3.5Å; L429-T437 PolarHBondContact O-OG1 2.87Å; L429-F455 HydrophobicContact CB-CB 4.18Å; L429-F455 HydrophobicContact CB-CD1 3.86Å; L429-F455 HydrophobicContact CB-CD2 4.15Å; L429-F455 HydrophobicContact CB-CE1 4.25Å; L429-F455 HydrophobicContact CB-CG 3.82Å; L429-F455 HydrophobicContact CD1-CB 3.72Å; L429-F455 HydrophobicContact CD1-CD2 4.38Å; L429-F455 HydrophobicContact CD1-CG 4.15Å
430	G	93.9	Very high	97.2	Very high	44 Å²	44	28.6 Å²	28.6	45%	0.454	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	9.8	176.9	0	0	0	0	0	115.6	Y428	Y428-G430 PolarHBondContact O-N 3.45Å; Y428-G430 VanDerWaalsContact O-N 3.09Å
431	V	95.9	Very high	97.2	Very high	38 Å²	38	29.6 Å²	29.6	23%	0.23	18%	0.178	C	C	.	.	S	Bend	trans	-73	-37.5	-174.7	168.9	0	0	0	0	112.8	P401 C406 L409 Y428	P401-V431 HydrophobicContact CB-CG2 4.13Å; P401-V431 HydrophobicContact CG-CG2 3.92Å; C406-V431 HydrophobicContact CB-CG1 4Å; L409-V431 HydrophobicContact CB-CG1 4.28Å; L409-V431 HydrophobicContact CD1-CB 4.11Å; L409-V431 HydrophobicContact CD1-CG1 4.21Å; Y428-V431 HydrophobicContact CD1-CG2 4.34Å; Y428-V431 WeakPolarHBondContact O-CB 3.29Å; Y428-V431 PolarHBondContact O-N 2.88Å
432	N	97	Very high	97.1	Very high	18 Å²	18	34.4 Å²	34.4	10%	0.096	20%	0.196	C	C	.	.			trans	-122.7	103.8	172.6	-178.9	-3.5	0	0	0	109.1	L409 Q434 L435	L409-N432 PolarHBondContact O-ND2 3.21Å; N432-Q434 PolarHBondContact O-N 2.84Å; N432-Q434 VanDerWaalsContact O-N 3.12Å; N432-Q434 WeakPolarHBondContact OD1-CB 3.18Å; N432-Q434 PolarHBondContact OD1-N 3.32Å; N432-Q434 VanDerWaalsContact OD1-N 3.08Å; N432-L435 HydrophobicContact CB-CD1 3.86Å; N432-L435 HydrophobicContact CB-CG 3.93Å; N432-L435 PolarHBondContact O-N 3.29Å
433	P	95.6	Very high	97.1	Very high	122 Å²	122	33.8 Å²	33.8	79%	0.792	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	1.7	-176.4	32	-36.9	0	0	0	113.8
434	Q	97.4	Very high	97	Very high	118 Å²	118	36.7 Å²	36.7	55%	0.551	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-3	175.2	-52.8	-175.7	12.2	0	0	112.7	P414 G415 N432	P414-Q434 HydrophobicContact CB-CB 4.27Å; G415-Q434 PolarHBondContact N-O 2.94Å; N432-Q434 PolarHBondContact O-N 2.84Å; N432-Q434 VanDerWaalsContact O-N 3.12Å; N432-Q434 WeakPolarHBondContact OD1-CB 3.18Å; N432-Q434 PolarHBondContact OD1-N 3.32Å; N432-Q434 VanDerWaalsContact OD1-N 3.08Å
435	L	98.1	Very high	96.9	Very high	16 Å²	16	38 Å²	38	8%	0.084	22%	0.219	C	C	.	.	S	Bend	trans	-95.3	150.9	178.9	-56.5	-178.8	0	0	0	111.9	L409 L412 P413 L418 N432 T437	L409-L435 HydrophobicContact CD2-CD1 4.48Å; L412-L435 HydrophobicContact CB-CD1 4.33Å; L412-L435 HydrophobicContact CB-CD2 3.78Å; L412-L435 HydrophobicContact CD1-CD1 3.85Å; P413-L435 WeakPolarHBondContact O-CD2 3.43Å; L418-L435 HydrophobicContact CB-CD1 4.46Å; L418-L435 HydrophobicContact CD2-CD1 4.11Å; N432-L435 HydrophobicContact CB-CD1 3.86Å; N432-L435 HydrophobicContact CB-CG 3.93Å; N432-L435 PolarHBondContact O-N 3.29Å; L435-T437 HydrophobicContact CB-CG2 3.67Å; L435-T437 PolarHBondContact O-N 3.35Å
436	I	98.1	Very high	97	Very high	106 Å²	106	37.9 Å²	37.9	54%	0.544	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	92.3	169	-59.5	174.7	0	0	0	107	S416 V417 L418	S416-I436 PolarHBondContact O-N 3Å; V417-I436 WeakPolarHBondContact CA-O 3.45Å; V417-I436 HydrophobicContact CG2-CB 4.29Å; V417-I436 HydrophobicContact CG2-CD1 4.5Å; V417-I436 HydrophobicContact CG2-CG2 4.49Å; L418-I436 PolarHBondContact N-O 3.33Å
437	T	98.1	Very high	97	Very high	20 Å²	20	38.5 Å²	38.5	12%	0.123	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	139.2	-172.5	68.4	0	0	0	0	112.9	L418 L429 L435	L418-T437 HydrophobicContact CB-CG2 4.22Å; L418-T437 HydrophobicContact CD2-CG2 3.83Å; L429-T437 WeakPolarHBondContact O-CG2 3.5Å; L429-T437 PolarHBondContact O-OG1 2.87Å; L435-T437 HydrophobicContact CB-CG2 3.67Å; L435-T437 PolarHBondContact O-N 3.35Å
438	V	98.1	Very high	97	Very high	29 Å²	29	41.6 Å²	41.6	18%	0.176	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	134.3	167.9	66.2	0	0	0	0	110.1	L418 A419 D420 N456 F458 L467	L418-V438 PolarHBondContact O-N 2.98Å; A419-V438 WeakPolarHBondContact CA-O 3.48Å; D420-V438 PolarHBondContact N-O 3.14Å; V438-N456 WeakPolarHBondContact CA-O 3.48Å; V438-N456 HydrophobicContact CG2-CB 4.39Å; V438-F458 HydrophobicContact CG2-CD1 3.98Å; V438-F458 HydrophobicContact CG2-CE1 3.64Å; V438-L467 HydrophobicContact CG1-CD1 3.89Å
439	G	98.4	Very high	96.9	Very high	2 Å²	2	42.1 Å²	42.1	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	156.2	174.9	0	0	0	0	0	112.5	D420 N456 A457 F458	D420-G439 CarbonylContact O-C 3.53Å; D420-G439 WeakPolarHBondContact O-CA 3.49Å; G439-N456 PolarHBondContact N-O 2.87Å; G439-A457 WeakPolarHBondContact O-CA 3.34Å; G439-F458 PolarHBondContact O-N 3.4Å
440	C	98.3	Very high	96.8	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.02	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	148.7	160.1	66.3	0	0	0	0	111.2	D420 G422 C423 F458	D420-C440 PolarHBondContact O-N 3.13Å; G422-C440 CarbonylContact C-O 3.52Å; G422-C440 VanDerWaalsContact CA-O 3.26Å; G422-C440 WeakPolarHBondContact CA-O 3.29Å; G422-C440 PolarHBondContact N-O 3.41Å; C423-C440 PolarHBondContact N-O 3.02Å; C440-F458 VanDerWaalsContact CA-O 3.27Å; C440-F458 WeakPolarHBondContact CA-O 3.33Å; C440-F458 HydrophobicContact CB-CD2 3.82Å; C440-F458 HydrophobicContact CB-CE1 4.31Å; C440-F458 HydrophobicContact CB-CE2 3.37Å; C440-F458 HydrophobicContact CB-CG 4.43Å; C440-F458 HydrophobicContact CB-CZ 3.66Å
441	D	98.6	Very high	96.8	Very high	22 Å²	22	42.6 Å²	42.6	12%	0.118	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	154.6	177.2	-161.3	-72.1	0	0	0	109.7	G424 S443 V447 F458 V459 S460	G424-D441 VanDerWaalsContact CA-OD2 3.26Å; G424-D441 WeakPolarHBondContact CA-OD2 3.38Å; G424-D441 PolarHBondContact N-OD2 2.73Å; D441-S443 VanDerWaalsContact C-N 3.32Å; D441-S443 WeakPolarHBondContact OD1-CB 3.24Å; D441-S443 PolarHBondContact OD1-N 2.96Å; D441-V447 HydrophobicContact CB-CG2 3.91Å; D441-F458 PolarHBondContact N-O 2.89Å; D441-V459 VanDerWaalsContact O-CA 3.31Å; D441-V459 WeakPolarHBondContact O-CA 3.28Å; D441-S460 CarbonylContact C-O 3.54Å; D441-S460 PolarHBondContact O-N 3.22Å
442	R	96.9	Very high	96.7	Very high	103 Å²	103	46.8 Å²	46.8	39%	0.389	26%	0.258	S	S	.	.	S	Bend	trans	-78.3	-20.6	178.5	-167	60.9	173.5	80	3.1	112.2	S460 D461	R442-S460 WeakPolarHBondContact CA-O 3.34Å; R442-S460 WeakPolarHBondContact CD-O 3.46Å; R442-S460 PolarHBondContact N-O 2.87Å; R442-D461 IonicContact NE-OD2 2.8Å
443	S	97.6	Very high	96.5	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.014	27%	0.272	C	S	.	.			trans	-87	112.8	176.5	174.7	0	0	0	0	111.7	N388 D441 A445 L446 V447	N388-S443 WeakPolarHBondContact CA-OG 3.25Å; N388-S443 VanDerWaalsContact OD1-CA 3.22Å; N388-S443 WeakPolarHBondContact OD1-CA 3.45Å; N388-S443 WeakPolarHBondContact OD1-CB 3.49Å; N388-S443 PolarHBondContact OD1-OG 3.37Å; D441-S443 VanDerWaalsContact C-N 3.32Å; D441-S443 WeakPolarHBondContact OD1-CB 3.24Å; D441-S443 PolarHBondContact OD1-N 2.96Å; S443-A445 PolarHBondContact O-N 3.21Å; S443-A445 PolarHBondContact OG-N 3.41Å; S443-L446 PolarHBondContact O-N 3.06Å; S443-L446 VanDerWaalsContact O-N 3.15Å; S443-L446 PolarHBondContact OG-N 2.99Å; S443-V447 WeakPolarHBondContact O-CG2 3.17Å; S443-V447 PolarHBondContact O-N 2.93Å
444	S	96.1	Very high	96.5	Very high	68 Å²	68	48.1 Å²	48.1	48%	0.476	27%	0.266	S	S	.	.	H	α-helix	trans	-60.5	-34.3	172.3	52.7	0	0	0	0	112.3	N388 L446 V447 Q448	N388-S444 PolarHBondContact OD1-N 3.26Å; N388-S444 VanDerWaalsContact OD1-N 3.12Å; N388-S444 PolarHBondContact OD1-OG 2.75Å; S444-L446 VanDerWaalsContact C-N 3.34Å; S444-L446 PolarHBondContact O-N 2.9Å; S444-V447 PolarHBondContact O-N 2.95Å; S444-Q448 VanDerWaalsContact O-CB 3.3Å; S444-Q448 WeakPolarHBondContact O-CB 3.2Å; S444-Q448 PolarHBondContact O-N 3Å
445	A	95.6	Very high	96.5	Very high	33 Å²	33	45.2 Å²	45.2	27%	0.273	25%	0.252	S	S	.	.	H	α-helix	trans	-67.9	-29.7	176.2	0	0	0	0	0	113.4	N388 A391 S443 I449	N388-A445 PolarHBondContact OD1-N 3.33Å; A391-A445 HydrophobicContact CB-CB 3.56Å; S443-A445 PolarHBondContact O-N 3.21Å; S443-A445 PolarHBondContact OG-N 3.41Å; A445-I449 WeakPolarHBondContact O-CD1 3.46Å; A445-I449 WeakPolarHBondContact O-CG1 3.25Å; A445-I449 PolarHBondContact O-N 2.86Å
446	L	97	Very high	96.4	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-79.9	-39.2	173.3	-71.8	172.7	0	0	0	111.9	Y387 A391 F394 N425 S443 S444 Q448 I449 C450	Y387-L446 HydrophobicContact CD1-CD1 4.28Å; A391-L446 HydrophobicContact CB-CD2 3.77Å; A391-L446 HydrophobicContact CB-CG 3.88Å; F394-L446 HydrophobicContact CD1-CD2 3.94Å; F394-L446 HydrophobicContact CE1-CD2 4.49Å; N425-L446 HydrophobicContact CB-CD2 4.43Å; S443-L446 PolarHBondContact O-N 3.06Å; S443-L446 VanDerWaalsContact O-N 3.15Å; S443-L446 PolarHBondContact OG-N 2.99Å; S444-L446 VanDerWaalsContact C-N 3.34Å; S444-L446 PolarHBondContact O-N 2.9Å; L446-Q448 VanDerWaalsContact C-N 3.34Å; L446-Q448 PolarHBondContact O-N 2.92Å; L446-I449 WeakPolarHBondContact O-CB 3.37Å; L446-I449 PolarHBondContact O-N 3.4Å; L446-I449 VanDerWaalsContact O-N 3.14Å; L446-C450 PolarHBondContact O-N 2.85Å; L446-C450 VanDerWaalsContact O-N 3.09Å
447	V	97.9	Very high	96.4	Very high	14 Å²	14	46.1 Å²	46.1	9%	0.085	26%	0.262	C	S	.	.	H	α-helix	trans	-61.8	-40.1	172.9	173.6	0	0	0	0	111.9	D441 S443 S444 I449 C450 A451 A457 F458 V459	D441-V447 HydrophobicContact CB-CG2 3.91Å; S443-V447 WeakPolarHBondContact O-CG2 3.17Å; S443-V447 PolarHBondContact O-N 2.93Å; S444-V447 PolarHBondContact O-N 2.95Å; V447-I449 VanDerWaalsContact C-N 3.29Å; V447-I449 PolarHBondContact O-N 2.88Å; V447-C450 WeakPolarHBondContact O-CA 3.4Å; V447-C450 VanDerWaalsContact O-CB 3.29Å; V447-C450 WeakPolarHBondContact O-CB 3.4Å; V447-C450 PolarHBondContact O-N 2.81Å; V447-A451 PolarHBondContact O-N 3.44Å; V447-A457 HydrophobicContact CG1-CB 4.18Å; V447-F458 WeakPolarHBondContact CG2-O 3.34Å; V447-V459 HydrophobicContact CB-CG2 4.04Å; V447-V459 HydrophobicContact CG1-CG2 4.14Å; V447-V459 HydrophobicContact CG2-CG2 3.99Å
448	Q	94.9	Very high	96.4	Very high	98 Å²	98	47.7 Å²	47.7	46%	0.458	27%	0.267	S	S	.	.	H	α-helix	trans	-57.6	-41.5	173.1	174.8	58.2	29.1	0	0	111.7	S444 L446 C450 A451 E452	S444-Q448 VanDerWaalsContact O-CB 3.3Å; S444-Q448 WeakPolarHBondContact O-CB 3.2Å; S444-Q448 PolarHBondContact O-N 3Å; L446-Q448 VanDerWaalsContact C-N 3.34Å; L446-Q448 PolarHBondContact O-N 2.92Å; Q448-C450 VanDerWaalsContact C-N 3.31Å; Q448-C450 PolarHBondContact O-N 2.81Å; Q448-A451 PolarHBondContact O-N 2.92Å; Q448-E452 WeakPolarHBondContact CG-OE1 3.12Å; Q448-E452 PolarHBondContact NE2-OE1 3.1Å; Q448-E452 WeakPolarHBondContact O-CG 3.17Å; Q448-E452 PolarHBondContact O-N 2.8Å
449	I	94.5	Very high	96.4	Very high	22 Å²	22	49.9 Å²	49.9	11%	0.113	28%	0.28	C	S	.	.	H	α-helix	trans	-66.9	-29.8	175.6	-70.6	168.6	0	0	0	112	A391 S395 N425 A445 L446 V447 R453	A391-I449 HydrophobicContact CB-CD1 4.21Å; S395-I449 WeakPolarHBondContact OG-CG2 3.23Å; N425-I449 HydrophobicContact CB-CG2 3.86Å; A445-I449 WeakPolarHBondContact O-CD1 3.46Å; A445-I449 WeakPolarHBondContact O-CG1 3.25Å; A445-I449 PolarHBondContact O-N 2.86Å; L446-I449 WeakPolarHBondContact O-CB 3.37Å; L446-I449 PolarHBondContact O-N 3.4Å; L446-I449 VanDerWaalsContact O-N 3.14Å; V447-I449 VanDerWaalsContact C-N 3.29Å; V447-I449 PolarHBondContact O-N 2.88Å; I449-R453 WeakPolarHBondContact O-CD 3.35Å; I449-R453 VanDerWaalsContact O-CG 3.22Å; I449-R453 WeakPolarHBondContact O-CG 3.31Å; I449-R453 PolarHBondContact O-N 3.26Å
450	C	95.8	Very high	96.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-67.2	-44.4	170.4	-66.2	0	0	0	0	111.8	G424 G426 L446 V447 Q448 R453 G454 F455 A457	G424-C450 PolarHBondContact O-SG 2.8Å; G426-C450 VanDerWaalsContact CA-SG 3.52Å; G426-C450 PolarHBondContact N-SG 3.27Å; L446-C450 PolarHBondContact O-N 2.85Å; L446-C450 VanDerWaalsContact O-N 3.09Å; V447-C450 WeakPolarHBondContact O-CA 3.4Å; V447-C450 VanDerWaalsContact O-CB 3.29Å; V447-C450 WeakPolarHBondContact O-CB 3.4Å; V447-C450 PolarHBondContact O-N 2.81Å; Q448-C450 VanDerWaalsContact C-N 3.31Å; Q448-C450 PolarHBondContact O-N 2.81Å; C450-R453 CarbonylContact O-C 3.46Å; C450-R453 WeakPolarHBondContact O-CA 3.38Å; C450-R453 WeakPolarHBondContact O-CB 3.48Å; C450-R453 PolarHBondContact O-N 3.11Å; C450-R453 VanDerWaalsContact O-N 3.08Å; C450-G454 PolarHBondContact O-N 2.8Å; C450-F455 HydrophobicContact CB-CB 4.33Å; C450-F455 PolarHBondContact O-N 3.01Å; C450-A457 HydrophobicContact CB-CB 3.56Å
451	A	92.9	Very high	96.2	Very high	59 Å²	59	52.4 Å²	52.4	49%	0.488	29%	0.294	S	S	.	.	H	α-helix	trans	-63	-42.3	177.3	0	0	0	0	0	111.9	V447 Q448 R453 G454	V447-A451 PolarHBondContact O-N 3.44Å; Q448-A451 PolarHBondContact O-N 2.92Å; A451-R453 PolarHBondContact O-N 3.23Å; A451-G454 PolarHBondContact O-N 2.93Å
452	E	93.3	Very high	96.2	Very high	125 Å²	125	52 Å²	52	58%	0.584	29%	0.294	S	S	*	.	H	α-helix	trans	-61.1	-22.7	172.7	-74.1	169.3	-161.4	0	0	113.7	Q448	Q448-E452 WeakPolarHBondContact CG-OE1 3.12Å; Q448-E452 PolarHBondContact NE2-OE1 3.1Å; Q448-E452 WeakPolarHBondContact O-CG 3.17Å; Q448-E452 PolarHBondContact O-N 2.8Å
453	R	93.9	Very high	96.2	Very high	103 Å²	103	48.9 Å²	48.9	39%	0.389	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-2.7	174.4	-71.3	169.8	175.3	-162.1	-7.2	113.4	S395 N425 I449 C450 A451 F455	S395-R453 PolarHBondContact OG-NH2 2.83Å; N425-R453 VanDerWaalsContact CG-NH1 3.31Å; N425-R453 PolarHBondContact ND2-NH1 3.11Å; N425-R453 PolarHBondContact O-NH1 3.49Å; I449-R453 WeakPolarHBondContact O-CD 3.35Å; I449-R453 VanDerWaalsContact O-CG 3.22Å; I449-R453 WeakPolarHBondContact O-CG 3.31Å; I449-R453 PolarHBondContact O-N 3.26Å; C450-R453 CarbonylContact O-C 3.46Å; C450-R453 WeakPolarHBondContact O-CA 3.38Å; C450-R453 WeakPolarHBondContact O-CB 3.48Å; C450-R453 PolarHBondContact O-N 3.11Å; C450-R453 VanDerWaalsContact O-N 3.08Å; A451-R453 PolarHBondContact O-N 3.23Å; R453-F455 HydrophobicContact CB-CD2 3.66Å; R453-F455 HydrophobicContact CB-CE2 3.78Å; R453-F455 HydrophobicContact CB-CG 4.45Å
454	G	95.4	Very high	96.2	Very high	66 Å²	66	52.8 Å²	52.8	68%	0.68	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	19.2	-176.8	0	0	0	0	0	114.4	C450 A451	C450-G454 PolarHBondContact O-N 2.8Å; A451-G454 PolarHBondContact O-N 2.93Å
455	F	97.2	Very high	96.3	Very high	56 Å²	56	49.7 Å²	49.7	25%	0.246	29%	0.29	C	S	.	.			trans	-93.9	142.7	176.1	-60.2	-48.9	0	0	0	112	G426 L429 C450 R453 A457	G426-F455 VanDerWaalsContact O-CE2 3.3Å; G426-F455 WeakPolarHBondContact O-CE2 3.28Å; L429-F455 HydrophobicContact CB-CB 4.18Å; L429-F455 HydrophobicContact CB-CD1 3.86Å; L429-F455 HydrophobicContact CB-CD2 4.15Å; L429-F455 HydrophobicContact CB-CE1 4.25Å; L429-F455 HydrophobicContact CB-CG 3.82Å; L429-F455 HydrophobicContact CD1-CB 3.72Å; L429-F455 HydrophobicContact CD1-CD2 4.38Å; L429-F455 HydrophobicContact CD1-CG 4.15Å; C450-F455 HydrophobicContact CB-CB 4.33Å; C450-F455 PolarHBondContact O-N 3.01Å; R453-F455 HydrophobicContact CB-CD2 3.66Å; R453-F455 HydrophobicContact CB-CE2 3.78Å; R453-F455 HydrophobicContact CB-CG 4.45Å; F455-A457 PolarHBondContact O-N 2.85Å
456	N	96.5	Very high	96.3	Very high	114 Å²	114	53 Å²	53	61%	0.61	31%	0.309	S	S	*	.			trans	-70.8	109.2	171.5	-56.6	-57	0	0	0	109.3	V438 G439	V438-N456 WeakPolarHBondContact CA-O 3.48Å; V438-N456 HydrophobicContact CG2-CB 4.39Å; G439-N456 PolarHBondContact N-O 2.87Å
457	A	97.8	Very high	96.3	Very high	27 Å²	27	55 Å²	55	22%	0.223	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	152.7	172.4	0	0	0	0	0	112	G439 V447 C450 F455	G439-A457 WeakPolarHBondContact O-CA 3.34Å; V447-A457 HydrophobicContact CG1-CB 4.18Å; C450-A457 HydrophobicContact CB-CB 3.56Å; F455-A457 PolarHBondContact O-N 2.85Å
458	F	98.3	Very high	96.3	Very high	54 Å²	54	64.6 Å²	64.6	24%	0.237	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	158.7	177.3	59	-97.3	0	0	0	112.1	V438 G439 C440 D441 V447 V465 P466 L467	V438-F458 HydrophobicContact CG2-CD1 3.98Å; V438-F458 HydrophobicContact CG2-CE1 3.64Å; G439-F458 PolarHBondContact O-N 3.4Å; C440-F458 VanDerWaalsContact CA-O 3.27Å; C440-F458 WeakPolarHBondContact CA-O 3.33Å; C440-F458 HydrophobicContact CB-CD2 3.82Å; C440-F458 HydrophobicContact CB-CE1 4.31Å; C440-F458 HydrophobicContact CB-CE2 3.37Å; C440-F458 HydrophobicContact CB-CG 4.43Å; C440-F458 HydrophobicContact CB-CZ 3.66Å; D441-F458 PolarHBondContact N-O 2.89Å; V447-F458 WeakPolarHBondContact CG2-O 3.34Å; F458-V465 HydrophobicContact CE2-CG1 4.22Å; F458-V465 HydrophobicContact CZ-CG1 3.96Å; F458-P466 HydrophobicContact CD2-CG 4.1Å; F458-P466 HydrophobicContact CE2-CG 3.6Å; F458-P466 HydrophobicContact CZ-CG 4.21Å; F458-L467 HydrophobicContact CE1-CD1 4.49Å; F458-L467 HydrophobicContact CE1-CD2 4.23Å; F458-L467 HydrophobicContact CE1-CG 4.33Å; F458-L467 HydrophobicContact CZ-CD1 4.23Å; F458-L467 HydrophobicContact CZ-CD2 4.33Å; F458-L467 HydrophobicContact CZ-CG 3.98Å
459	V	98.3	Very high	96.5	Very high	75 Å²	75	63.5 Å²	63.5	46%	0.455	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	127.4	178.1	-175.6	0	0	0	0	109.8	D441 V447	D441-V459 VanDerWaalsContact O-CA 3.31Å; D441-V459 WeakPolarHBondContact O-CA 3.28Å; V447-V459 HydrophobicContact CB-CG2 4.04Å; V447-V459 HydrophobicContact CG1-CG2 4.14Å; V447-V459 HydrophobicContact CG2-CG2 3.99Å
460	S	96.7	Very high	96.7	Very high	12 Å²	12	66 Å²	66	8%	0.084	37%	0.368	C	S	.	.			trans	-153.1	157.3	-177.8	-165	0	0	0	0	112.4	D441 R442 S464 P466	D441-S460 CarbonylContact C-O 3.54Å; D441-S460 PolarHBondContact O-N 3.22Å; R442-S460 WeakPolarHBondContact CA-O 3.34Å; R442-S460 WeakPolarHBondContact CD-O 3.46Å; R442-S460 PolarHBondContact N-O 2.87Å; S460-S464 PolarHBondContact OG-O 3.38Å; S460-P466 WeakPolarHBondContact OG-CD 3.5Å
461	D	95.7	Very high	96.8	Very high	45 Å²	45	67.6 Å²	67.6	24%	0.241	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-79.1	141.8	155.6	-154.9	-51.5	0	0	0	109.3	R442 L463 S464	R442-D461 IonicContact NE-OD2 2.8Å; D461-L463 WeakPolarHBondContact OD1-CB 3.21Å; D461-L463 WeakPolarHBondContact OD1-CG 3.47Å; D461-L463 PolarHBondContact OD1-N 3.04Å; D461-S464 CarbonylContact O-C 3.52Å; D461-S464 PolarHBondContact O-N 3.2Å
462	A	97.3	Very high	97.1	Very high	14 Å²	14	64.9 Å²	64.9	12%	0.116	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-4.8	175	0	0	0	0	0	112.5	V421 F484	V421-A462 HydrophobicContact CG1-CB 3.57Å; A462-F484 HydrophobicContact CB-CZ 4.11Å
463	L	97.3	Very high	97.3	Very high	37 Å²	37	61.2 Å²	61.2	19%	0.194	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-9.4	167.6	-54.4	-176.9	0	0	0	113.3	D461 F484 R489 A492 A493	D461-L463 WeakPolarHBondContact OD1-CB 3.21Å; D461-L463 WeakPolarHBondContact OD1-CG 3.47Å; D461-L463 PolarHBondContact OD1-N 3.04Å; L463-F484 HydrophobicContact CD1-CD1 4.15Å; L463-F484 HydrophobicContact CD1-CE1 3.81Å; L463-F484 HydrophobicContact CD1-CZ 4.49Å; L463-F484 HydrophobicContact CD2-CD1 4.12Å; L463-F484 HydrophobicContact CD2-CD2 4.36Å; L463-F484 HydrophobicContact CD2-CE1 3.68Å; L463-F484 HydrophobicContact CD2-CE2 3.96Å; L463-F484 HydrophobicContact CD2-CG 4.44Å; L463-F484 HydrophobicContact CD2-CZ 3.59Å; L463-F484 HydrophobicContact CG-CD1 4.28Å; L463-F484 HydrophobicContact CG-CE1 3.58Å; L463-F484 HydrophobicContact CG-CZ 3.78Å; L463-R489 HydrophobicContact CD1-CB 4.33Å; L463-R489 HydrophobicContact CD1-CG 4.3Å; L463-R489 VanDerWaalsContact CD1-NH1 3.3Å; L463-R489 VanDerWaalsContact CD2-O 3.22Å; L463-R489 WeakPolarHBondContact CD2-O 3.25Å; L463-A492 HydrophobicContact CD2-CB 4.02Å; L463-A493 HydrophobicContact CD2-CB 3.77Å
464	S	97.2	Very high	97.6	Very high	85 Å²	85	56.3 Å²	56.3	59%	0.594	32%	0.322	S	S	*	.	B	Isolated β-bridge	trans	-160.5	84.3	-179.3	173.7	0	0	0	0	110.5	S460 D461	S460-S464 PolarHBondContact OG-O 3.38Å; D461-S464 CarbonylContact O-C 3.52Å; D461-S464 PolarHBondContact O-N 3.2Å
465	V	98.1	Very high	97.7	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.018	29%	0.29	C	S	.	.			trans	-87.9	124.4	-177.8	-177.2	0	0	0	0	110.1	V421 F458 L467 E496 R499 L500	V421-V465 HydrophobicContact CG1-CG2 4.19Å; F458-V465 HydrophobicContact CE2-CG1 4.22Å; F458-V465 HydrophobicContact CZ-CG1 3.96Å; V465-L467 HydrophobicContact CG1-CB 4.17Å; V465-L467 HydrophobicContact CG1-CD1 4Å; V465-L467 HydrophobicContact CG1-CG 3.94Å; V465-L467 PolarHBondContact O-N 3.12Å; V465-E496 HydrophobicContact CB-CG 4.44Å; V465-E496 WeakPolarHBondContact CB-OE1 3.45Å; V465-E496 HydrophobicContact CG2-CG 4.03Å; V465-E496 PolarHBondContact N-OE1 3.35Å; V465-R499 PolarHBondContact O-NH2 2.82Å; V465-L500 HydrophobicContact CB-CD1 4.14Å; V465-L500 HydrophobicContact CB-CD2 4.45Å; V465-L500 HydrophobicContact CG1-CD1 4.08Å; V465-L500 HydrophobicContact CG2-CD1 4.35Å
466	P	97.3	Very high	97.8	Very high	102 Å²	102	50.5 Å²	50.5	66%	0.662	28%	0.278	S	S	*	.	S	Bend	trans	-71.2	31	-178.8	30.8	-38.4	0	0	0	115.1	F458 S460	F458-P466 HydrophobicContact CD2-CG 4.1Å; F458-P466 HydrophobicContact CE2-CG 3.6Å; F458-P466 HydrophobicContact CZ-CG 4.21Å; S460-P466 WeakPolarHBondContact OG-CD 3.5Å
467	L	97.2	Very high	97.9	Very high	45 Å²	45	45.2 Å²	45.2	24%	0.236	25%	0.25	C	S	.	.	S	Bend	trans	-98.5	151.8	169.5	-65.4	175.3	0	0	0	110.3	A419 V438 F458 V465 R499 L500	A419-L467 HydrophobicContact CB-CD1 4.21Å; V438-L467 HydrophobicContact CG1-CD1 3.89Å; F458-L467 HydrophobicContact CE1-CD1 4.49Å; F458-L467 HydrophobicContact CE1-CD2 4.23Å; F458-L467 HydrophobicContact CE1-CG 4.33Å; F458-L467 HydrophobicContact CZ-CD1 4.23Å; F458-L467 HydrophobicContact CZ-CD2 4.33Å; F458-L467 HydrophobicContact CZ-CG 3.98Å; V465-L467 HydrophobicContact CG1-CB 4.17Å; V465-L467 HydrophobicContact CG1-CD1 4Å; V465-L467 HydrophobicContact CG1-CG 3.94Å; V465-L467 PolarHBondContact O-N 3.12Å; L467-R499 PolarHBondContact O-NH1 3.05Å; L467-R499 PolarHBondContact O-NH2 2.8Å; L467-L500 HydrophobicContact CB-CD2 3.6Å
468	R	97.9	Very high	97.9	Very high	215 Å²	215	44.8 Å²	44.8	81%	0.811	24%	0.244	S	C	*	.	P	Polyproline II helix	trans	-68.2	146.9	-177.6	-67.2	178.9	-178.4	159.5	1.2	110.9	S471	R468-S471 WeakPolarHBondContact O-CB 3.42Å; R468-S471 PolarHBondContact O-OG 3.22Å
469	T	98.3	Very high	97.8	Very high	74 Å²	74	43.5 Å²	43.5	45%	0.454	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	144.5	166.9	-52.2	0	0	0	0	109.4	S471 R499	T469-S471 VanDerWaalsContact C-N 3.31Å; T469-S471 PolarHBondContact O-N 2.82Å; T469-R499 VanDerWaalsContact CA-O 3.27Å; T469-R499 WeakPolarHBondContact CA-O 3.48Å; T469-R499 HydrophobicContact CG2-CG 3.74Å; T469-R499 WeakPolarHBondContact CG2-O 3.06Å; T469-R499 VanDerWaalsContact N-NH1 3.16Å; T469-R499 WeakPolarHBondContact OG1-CG 3.44Å; T469-R499 PolarHBondContact OG1-NH1 2.86Å
470	D	98.3	Very high	97.8	Very high	75 Å²	75	40.8 Å²	40.8	40%	0.401	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	39.5	179.5	-53.4	-52.2	0	0	0	114.3	R499 K502 K682	D470-R499 PolarHBondContact N-O 2.92Å; D470-K502 WeakPolarHBondContact O-CG 3.3Å; D470-K682 IonicContact OD1-NZ 2.65Å; D470-K682 PolarHBondContact OD1-NZ 2.88Å
471	S	98.2	Very high	97.9	Very high	34 Å²	34	40.3 Å²	40.3	24%	0.238	22%	0.223	C	C	.	.			trans	-109.5	-23.7	-177.8	67.2	0	0	0	0	115.3	R468 T469 L500 K502	R468-S471 WeakPolarHBondContact O-CB 3.42Å; R468-S471 PolarHBondContact O-OG 3.22Å; T469-S471 VanDerWaalsContact C-N 3.31Å; T469-S471 PolarHBondContact O-N 2.82Å; S471-L500 PolarHBondContact N-O 3.27Å; S471-K502 WeakPolarHBondContact O-CE 3.18Å
472	C	98.5	Very high	98	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.007	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	138.8	-179.7	-59.2	0	0	0	0	111.7	L500 L501 K502	C472-L500 PolarHBondContact N-O 3.11Å; C472-L501 CarbonylContact O-C 3.59Å; C472-L501 WeakPolarHBondContact O-CA 3.18Å; C472-K502 WeakPolarHBondContact O-CG 3.26Å; C472-K502 PolarHBondContact O-N 3.29Å
473	D	98.8	Very high	98	Very high	48 Å²	48	38.2 Å²	38.2	26%	0.257	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-30.8	169.8	-55.5	-82.8	0	0	0	110.6	V417 K502 G505 Q506	V417-D473 WeakPolarHBondContact CB-OD2 3.45Å; V417-D473 PolarHBondContact N-OD2 2.84Å; V417-D473 PolarHBondContact O-N 3.15Å; D473-K502 VanDerWaalsContact OD1-CD 3.23Å; D473-K502 WeakPolarHBondContact OD1-CD 3.42Å; D473-K502 IonicContact OD1-NZ 3.61Å; D473-K502 PolarHBondContact OD1-NZ 2.83Å; D473-K502 IonicContact OD2-NZ 3.44Å; D473-K502 PolarHBondContact OD2-NZ 3.04Å; D473-G505 WeakPolarHBondContact O-CA 3.48Å; D473-Q506 PolarHBondContact O-N 2.6Å; D473-Q506 VanDerWaalsContact O-N 3.1Å
474	A	98.8	Very high	98	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	154.9	171.6	0	0	0	0	0	112.9	F408 L412 V417 L418 A419 Q506	F408-A474 HydrophobicContact CE1-CB 4.46Å; F408-A474 HydrophobicContact CZ-CB 4.39Å; L412-A474 HydrophobicContact CD1-CB 3.55Å; L412-A474 HydrophobicContact CD2-CB 3.7Å; L412-A474 HydrophobicContact CG-CB 4.29Å; V417-A474 PolarHBondContact O-N 2.82Å; V417-A474 VanDerWaalsContact O-N 3.1Å; L418-A474 WeakPolarHBondContact CA-O 3.49Å; L418-A474 HydrophobicContact CD1-CB 4Å; A419-A474 PolarHBondContact N-O 3.02Å; A419-A474 VanDerWaalsContact N-O 3.1Å; A474-Q506 CarbonylContact C-O 3.57Å; A474-Q506 WeakPolarHBondContact CA-O 3.35Å
475	C	98.7	Very high	97.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	151	167.7	-60.1	0	0	0	0	109.9	A419 L497 L501 Q506 A507 L508	A419-C475 CarbonylContact O-C 3.59Å; A419-C475 VanDerWaalsContact O-CA 3.28Å; A419-C475 WeakPolarHBondContact O-CA 3.42Å; C475-L497 HydrophobicContact CB-CD2 4.01Å; C475-L501 HydrophobicContact CB-CD2 4.21Å; C475-Q506 PolarHBondContact N-O 3.48Å; C475-A507 HydrophobicContact CB-CB 4.29Å; C475-A507 CarbonylContact O-C 3.53Å; C475-A507 VanDerWaalsContact O-CA 3.29Å; C475-A507 WeakPolarHBondContact O-CA 3.12Å; C475-L508 PolarHBondContact O-N 2.63Å
476	I	98.8	Very high	97.8	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	147.3	164.7	64.5	172.2	0	0	0	110.1	F408 L409 L418 A419 D420 V421 Y428 I478 L508	F408-I476 HydrophobicContact CD1-CG2 3.98Å; F408-I476 HydrophobicContact CE1-CG2 3.7Å; L409-I476 HydrophobicContact CD1-CD1 4.39Å; L409-I476 HydrophobicContact CD2-CD1 4.42Å; L409-I476 HydrophobicContact CD2-CG2 4.15Å; L418-I476 HydrophobicContact CD1-CG2 4.21Å; A419-I476 PolarHBondContact O-N 2.85Å; D420-I476 HydrophobicContact CB-CD1 4.2Å; D420-I476 HydrophobicContact CB-CG1 3.95Å; D420-I476 WeakPolarHBondContact OD1-CG1 3.25Å; V421-I476 PolarHBondContact N-O 2.91Å; Y428-I476 HydrophobicContact CD2-CD1 3.85Å; Y428-I476 HydrophobicContact CG-CD1 3.87Å; I476-I478 HydrophobicContact CB-CD1 4.2Å; I476-I478 HydrophobicContact CB-CG1 4.06Å; I476-I478 HydrophobicContact CD1-CG1 4.15Å; I476-I478 HydrophobicContact CG1-CG1 4.36Å; I476-L508 WeakPolarHBondContact CA-O 3.42Å; I476-L508 HydrophobicContact CG2-CB 4.11Å
477	S	98.6	Very high	97.7	Very high	3 Å²	3	34 Å²	34	2%	0.021	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	98.3	170.1	-162.5	0	0	0	0	109.1	V421 V480 L508 Y510	V421-S477 PolarHBondContact O-OG 2.82Å; S477-V480 WeakPolarHBondContact OG-CB 3.43Å; S477-L508 PolarHBondContact N-O 3.15Å; S477-Y510 PolarHBondContact O-N 2.98Å; S477-Y510 VanDerWaalsContact O-N 3.08Å
478	I	98.3	Very high	97.6	Very high	18 Å²	18	37.5 Å²	37.5	9%	0.092	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	105.4	-161.8	-52.2	-61.9	0	0	0	110.7	W402 V405 Y428 I476 L508 Y510	W402-I478 HydrophobicContact CE3-CG2 3.81Å; W402-I478 HydrophobicContact CH2-CG2 4.46Å; W402-I478 HydrophobicContact CZ3-CG2 3.6Å; V405-I478 HydrophobicContact CG1-CD1 4.22Å; V405-I478 HydrophobicContact CG1-CG1 4.27Å; V405-I478 HydrophobicContact CG2-CD1 4.08Å; V405-I478 HydrophobicContact CG2-CG2 4.49Å; Y428-I478 HydrophobicContact CD2-CB 4.48Å; Y428-I478 HydrophobicContact CD2-CG1 4.26Å; Y428-I478 HydrophobicContact CE2-CB 3.77Å; Y428-I478 HydrophobicContact CE2-CG1 3.84Å; Y428-I478 HydrophobicContact CE2-CG2 3.68Å; I476-I478 HydrophobicContact CB-CD1 4.2Å; I476-I478 HydrophobicContact CB-CG1 4.06Å; I476-I478 HydrophobicContact CD1-CG1 4.15Å; I476-I478 HydrophobicContact CG1-CG1 4.36Å; I478-L508 HydrophobicContact CD1-CD2 4.22Å; I478-L508 HydrophobicContact CD1-CG 4.14Å; I478-Y510 HydrophobicContact CD1-CD2 3.65Å; I478-Y510 HydrophobicContact CD1-CE2 4.46Å; I478-Y510 HydrophobicContact CD1-CG 4.13Å; I478-Y510 HydrophobicContact CG2-CG 4.36Å
479	A	96.6	Very high	97.5	Very high	26 Å²	26	28.4 Å²	28.4	22%	0.215	15%	0.153	C	C	.	.	S	Bend	trans	62.9	50	-173.4	0	0	0	0	0	113.5	H482 Y510	A479-H482 VanDerWaalsContact C-CE1 3.45Å; A479-H482 WeakPolarHBondContact CA-CE1 3.29Å; A479-H482 VanDerWaalsContact CB-CE1 3.47Å; A479-H482 WeakPolarHBondContact CB-CE1 3.25Å; A479-H482 PolarHBondContact O-NE2 2.78Å; A479-Y510 WeakPolarHBondContact CA-O 3.5Å; A479-Y510 PolarHBondContact N-O 3.32Å
480	V	97.9	Very high	97.5	Very high	19 Å²	19	25.6 Å²	25.6	12%	0.115	13%	0.134	C	C	.	.			trans	-125.5	-55.2	-174.3	-176.4	0	0	0	0	112.2	S477 H482 H483	S477-V480 WeakPolarHBondContact OG-CB 3.43Å; V480-H482 PolarHBondContact O-N 2.93Å; V480-H482 VanDerWaalsContact O-N 3.08Å; V480-H483 WeakPolarHBondContact O-CB 3.44Å; V480-H483 PolarHBondContact O-N 3.21Å
481	I	98.4	Very high	97.5	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-61.1	-27.2	-170.4	-56.5	-173.1	0	0	0	112.8	H483 F484 R490 A493 V494 L497 I509 V511 F649	I481-H483 PolarHBondContact O-N 2.92Å; I481-F484 HydrophobicContact CG2-CD2 4.38Å; I481-F484 PolarHBondContact O-N 2.94Å; I481-F484 VanDerWaalsContact O-N 3.11Å; I481-R490 HydrophobicContact CG2-CB 3.9Å; I481-R490 HydrophobicContact CG2-CG 4.06Å; I481-A493 HydrophobicContact CD1-CB 4.31Å; I481-A493 HydrophobicContact CG1-CB 4.24Å; I481-A493 HydrophobicContact CG2-CB 4.46Å; I481-V494 HydrophobicContact CD1-CG2 3.86Å; I481-L497 HydrophobicContact CD1-CD1 4.14Å; I481-I509 HydrophobicContact CD1-CD1 4.2Å; I481-I509 HydrophobicContact CD1-CG1 4.4Å; I481-I509 HydrophobicContact CD1-CG2 3.83Å; I481-V511 HydrophobicContact CB-CG1 4.15Å; I481-F649 HydrophobicContact CG2-CZ 4.2Å
482	H	97.7	Very high	97.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-64.4	-4.3	172.1	55.7	-126.5	0	0	0	115.2	A479 V480 W512 Y646 H647 F649	A479-H482 VanDerWaalsContact C-CE1 3.45Å; A479-H482 WeakPolarHBondContact CA-CE1 3.29Å; A479-H482 VanDerWaalsContact CB-CE1 3.47Å; A479-H482 WeakPolarHBondContact CB-CE1 3.25Å; A479-H482 PolarHBondContact O-NE2 2.78Å; V480-H482 PolarHBondContact O-N 2.93Å; V480-H482 VanDerWaalsContact O-N 3.08Å; H482-W512 AromaticContact CE1-CD1 3.5Å; H482-W512 VanDerWaalsContact CE1-CD1 3.5Å; H482-W512 AromaticContact CE1-CG 3.87Å; H482-W512 PolarHBondContact ND1-N 2.95Å; H482-Y646 AromaticContact CD2-CD1 3.5Å; H482-Y646 VanDerWaalsContact CD2-CD1 3.5Å; H482-Y646 WeakPolarHBondContact CD2-CD1 3.29Å; H482-Y646 AromaticContact CD2-CE1 3.34Å; H482-Y646 WeakPolarHBondContact CD2-CE1 3.45Å; H482-Y646 AromaticContact CE1-CE1 3.79Å; H482-Y646 AromaticContact NE2-CD1 3.76Å; H482-Y646 AromaticContact NE2-CE1 3.09Å; H482-Y646 WeakPolarHBondContact NE2-CE1 3.43Å; H482-Y646 AromaticContact NE2-CZ 3.74Å; H482-Y646 CarbonylContact O-C 3.3Å; H482-Y646 WeakPolarHBondContact O-CA 3.47Å; H482-H647 WeakPolarHBondContact CB-O 3.13Å; H482-H647 PolarHBondContact O-N 2.88Å; H482-F649 HydrophobicContact CB-CD2 4.47Å; H482-F649 HydrophobicContact CB-CE2 4.11Å
483	H	97.7	Very high	97.5	Very high	16 Å²	16	22.7 Å²	22.7	7%	0.074	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-89.6	-9.9	172.4	-72.4	-50.1	0	0	0	113.9	V383 Y387 V480 I481 Y645 Y646	V383-H483 HydrophobicContact CG1-CB 3.79Å; V383-H483 HydrophobicContact CG2-CB 3.96Å; Y387-H483 AromaticContact CE2-CD2 3.82Å; Y387-H483 AromaticContact CE2-CE1 3.66Å; Y387-H483 AromaticContact CE2-NE2 3.31Å; Y387-H483 VanDerWaalsContact CE2-NE2 3.31Å; Y387-H483 WeakPolarHBondContact CE2-NE2 3.14Å; Y387-H483 AromaticContact CZ-CE1 3.99Å; Y387-H483 AromaticContact CZ-NE2 3.44Å; Y387-H483 PolarHBondContact OH-CE1 3.37Å; Y387-H483 PolarHBondContact OH-NE2 3.17Å; V480-H483 WeakPolarHBondContact O-CB 3.44Å; V480-H483 PolarHBondContact O-N 3.21Å; I481-H483 PolarHBondContact O-N 2.92Å; H483-Y645 PolarHBondContact CE1-O 2.75Å; H483-Y645 PolarHBondContact ND1-O 3.44Å; H483-Y645 WeakPolarHBondContact O-CD1 3.2Å; H483-Y646 AromaticContact CE1-CD2 3.89Å; H483-Y646 AromaticContact CE1-CE2 3.44Å; H483-Y646 VanDerWaalsContact CE1-CE2 3.44Å; H483-Y646 WeakPolarHBondContact CE1-CE2 3.5Å; H483-Y646 AromaticContact CE1-CZ 3.54Å
484	F	97.4	Very high	97.5	Very high	13 Å²	13	20.4 Å²	20.4	6%	0.057	11%	0.109	C	C	.	.			trans	-84.5	128	174.8	-63	-65.2	0	0	0	111.8	A462 L463 I481 T486 R489 R490 A493	A462-F484 HydrophobicContact CB-CZ 4.11Å; L463-F484 HydrophobicContact CD1-CD1 4.15Å; L463-F484 HydrophobicContact CD1-CE1 3.81Å; L463-F484 HydrophobicContact CD1-CZ 4.49Å; L463-F484 HydrophobicContact CD2-CD1 4.12Å; L463-F484 HydrophobicContact CD2-CD2 4.36Å; L463-F484 HydrophobicContact CD2-CE1 3.68Å; L463-F484 HydrophobicContact CD2-CE2 3.96Å; L463-F484 HydrophobicContact CD2-CG 4.44Å; L463-F484 HydrophobicContact CD2-CZ 3.59Å; L463-F484 HydrophobicContact CG-CD1 4.28Å; L463-F484 HydrophobicContact CG-CE1 3.58Å; L463-F484 HydrophobicContact CG-CZ 3.78Å; I481-F484 HydrophobicContact CG2-CD2 4.38Å; I481-F484 PolarHBondContact O-N 2.94Å; I481-F484 VanDerWaalsContact O-N 3.11Å; F484-T486 PolarHBondContact O-N 2.86Å; F484-R489 HydrophobicContact CB-CB 3.84Å; F484-R489 HydrophobicContact CD1-CB 4.21Å; F484-R489 HydrophobicContact CG-CB 4.23Å; F484-R490 HydrophobicContact CB-CG 3.74Å; F484-R490 WeakPolarHBondContact O-CG 3.31Å; F484-R490 PolarHBondContact O-NH1 2.82Å; F484-A493 HydrophobicContact CD2-CB 3.88Å; F484-A493 HydrophobicContact CE2-CB 3.52Å; F484-A493 HydrophobicContact CZ-CB 4.35Å
485	S	95	Very high	97.5	Very high	5 Å²	5	26.4 Å²	26.4	4%	0.035	13%	0.131	C	C	.	.	S	Bend	trans	-83.5	-4.8	-163.2	60.7	0	0	0	0	116.1	P369 A375 E379 Y645	P369-S485 WeakPolarHBondContact CG-O 3.32Å; A375-S485 WeakPolarHBondContact CA-OG 3.43Å; A375-S485 WeakPolarHBondContact CB-OG 3.44Å; A375-S485 PolarHBondContact O-OG 3.08Å; E379-S485 WeakPolarHBondContact OE1-CB 3.41Å; E379-S485 PolarHBondContact OE1-N 2.73Å; E379-S485 PolarHBondContact OE1-OG 3.39Å; S485-Y645 VanDerWaalsContact CA-CE1 3.48Å; S485-Y645 WeakPolarHBondContact CA-OH 3.48Å
486	T	94.8	Very high	97.5	Very high	25 Å²	25	27.3 Å²	27.3	15%	0.153	14%	0.136	C	C	.	.	S	Bend	trans	-140.2	149	-176.8	40	0	0	0	0	109.6	P369 A375 F484 E488 R489 R490	P369-T486 HydrophobicContact CB-CG2 4.36Å; P369-T486 HydrophobicContact CG-CG2 3.67Å; A375-T486 HydrophobicContact CB-CG2 4.02Å; F484-T486 PolarHBondContact O-N 2.86Å; T486-E488 WeakPolarHBondContact CB-OE2 3.5Å; T486-E488 PolarHBondContact O-N 3.08Å; T486-R489 PolarHBondContact O-N 2.72Å; T486-R489 VanDerWaalsContact O-N 3.16Å; T486-R489 WeakPolarHBondContact OG1-CB 3.35Å; T486-R489 VanDerWaalsContact OG1-CD 3.22Å; T486-R489 WeakPolarHBondContact OG1-CD 3.47Å; T486-R489 VanDerWaalsContact OG1-CG 3.25Å; T486-R489 WeakPolarHBondContact OG1-CG 2.99Å; T486-R490 WeakPolarHBondContact O-CG 3.4Å; T486-R490 PolarHBondContact O-N 2.85Å
487	Q	95.3	Very high	97.5	Very high	95 Å²	95	27.4 Å²	27.4	44%	0.444	14%	0.136	S	C	.	.	H	α-helix	trans	-60.1	-37.3	-179.3	-179.7	174.2	-12.2	0	0	110.9	R489 R490 L491 L657 E660	Q487-R489 VanDerWaalsContact C-N 3.34Å; Q487-R489 PolarHBondContact O-N 3.32Å; Q487-R490 PolarHBondContact O-N 2.94Å; Q487-L491 WeakPolarHBondContact O-CB 3.49Å; Q487-L491 PolarHBondContact O-N 3.1Å; Q487-L657 HydrophobicContact CG-CD1 4.03Å; Q487-E660 PolarHBondContact NE2-OE1 2.57Å; Q487-E660 VanDerWaalsContact NE2-OE1 3.11Å
488	E	95.8	Very high	97.5	Very high	118 Å²	118	27.7 Å²	27.7	55%	0.551	14%	0.138	S	C	*	.	H	α-helix	trans	-60.6	-41.2	177.7	-61.6	75.2	-169.2	0	0	111.8	T486 A492	T486-E488 WeakPolarHBondContact CB-OE2 3.5Å; T486-E488 PolarHBondContact O-N 3.08Å; E488-A492 VanDerWaalsContact O-CB 3.29Å; E488-A492 WeakPolarHBondContact O-CB 3.48Å; E488-A492 PolarHBondContact O-N 2.99Å
489	R	96.9	Very high	97.5	Very high	24 Å²	24	30.1 Å²	30.1	9%	0.091	15%	0.146	C	C	.	.	H	α-helix	trans	-74.3	-39.7	176.1	-67.9	175.8	70.6	74	-4.9	111.4	E379 L463 F484 T486 Q487 L491 A492 A493	E379-R489 VanDerWaalsContact CD-NE 3.29Å; E379-R489 WeakPolarHBondContact OE1-CD 3.28Å; E379-R489 IonicContact OE1-CZ 2.78Å; E379-R489 IonicContact OE1-NE 3.71Å; E379-R489 PolarHBondContact OE1-NE 3.02Å; E379-R489 IonicContact OE2-CZ 3.15Å; E379-R489 IonicContact OE2-NE 3.28Å; E379-R489 PolarHBondContact OE2-NE 2.79Å; E379-R489 IonicContact OE2-NH2 2.89Å; E379-R489 PolarHBondContact OE2-NH2 3.45Å; L463-R489 HydrophobicContact CD1-CB 4.33Å; L463-R489 HydrophobicContact CD1-CG 4.3Å; L463-R489 VanDerWaalsContact CD1-NH1 3.3Å; L463-R489 VanDerWaalsContact CD2-O 3.22Å; L463-R489 WeakPolarHBondContact CD2-O 3.25Å; F484-R489 HydrophobicContact CB-CB 3.84Å; F484-R489 HydrophobicContact CD1-CB 4.21Å; F484-R489 HydrophobicContact CG-CB 4.23Å; T486-R489 PolarHBondContact O-N 2.72Å; T486-R489 VanDerWaalsContact O-N 3.16Å; T486-R489 WeakPolarHBondContact OG1-CB 3.35Å; T486-R489 VanDerWaalsContact OG1-CD 3.22Å; T486-R489 WeakPolarHBondContact OG1-CD 3.47Å; T486-R489 VanDerWaalsContact OG1-CG 3.25Å; T486-R489 WeakPolarHBondContact OG1-CG 2.99Å; Q487-R489 VanDerWaalsContact C-N 3.34Å; Q487-R489 PolarHBondContact O-N 3.32Å; R489-L491 VanDerWaalsContact C-N 3.32Å; R489-L491 PolarHBondContact O-N 3.25Å; R489-A492 PolarHBondContact O-N 2.89Å; R489-A493 PolarHBondContact O-N 3.04Å
490	R	98.1	Very high	97.6	Very high	16 Å²	16	28.9 Å²	28.9	6%	0.06	14%	0.136	C	C	.	.	H	α-helix	trans	-58.3	-44.6	172.2	-69.3	-168.4	-69.4	-88.3	13.3	111.3	I481 F484 T486 Q487 A493 V494 H647 L657	I481-R490 HydrophobicContact CG2-CB 3.9Å; I481-R490 HydrophobicContact CG2-CG 4.06Å; F484-R490 HydrophobicContact CB-CG 3.74Å; F484-R490 WeakPolarHBondContact O-CG 3.31Å; F484-R490 PolarHBondContact O-NH1 2.82Å; T486-R490 WeakPolarHBondContact O-CG 3.4Å; T486-R490 PolarHBondContact O-N 2.85Å; Q487-R490 PolarHBondContact O-N 2.94Å; R490-A493 WeakPolarHBondContact O-CB 3.45Å; R490-A493 PolarHBondContact O-N 3.17Å; R490-V494 PolarHBondContact O-N 3.01Å; R490-H647 VanDerWaalsContact CZ-CD2 3.42Å; R490-H647 PolarHBondContact NH2-CD2 2.82Å; R490-H647 PolarHBondContact NH2-CE1 3.18Å; R490-H647 PolarHBondContact NH2-ND1 2.94Å; R490-H647 PolarHBondContact NH2-NE2 3.39Å; R490-H647 VanDerWaalsContact NH2-NE2 3.16Å; R490-L657 HydrophobicContact CB-CD1 4.35Å; R490-L657 HydrophobicContact CB-CD2 3.87Å
491	L	98	Very high	97.6	Very high	10 Å²	10	28 Å²	28	5%	0.052	13%	0.13	C	C	.	.	H	α-helix	trans	-68.8	-38.9	178.1	-176.8	56.9	0	0	0	112.6	Q487 R489 A493 V494 R495 L657 E660 V661	Q487-L491 WeakPolarHBondContact O-CB 3.49Å; Q487-L491 PolarHBondContact O-N 3.1Å; R489-L491 VanDerWaalsContact C-N 3.32Å; R489-L491 PolarHBondContact O-N 3.25Å; L491-A493 VanDerWaalsContact C-N 3.31Å; L491-A493 PolarHBondContact O-N 2.97Å; L491-V494 PolarHBondContact O-N 3.03Å; L491-R495 VanDerWaalsContact CD2-NH2 3.3Å; L491-R495 WeakPolarHBondContact O-CG 3.34Å; L491-R495 PolarHBondContact O-N 3.27Å; L491-L657 HydrophobicContact CB-CD1 3.81Å; L491-L657 HydrophobicContact CD1-CD1 4.2Å; L491-L657 HydrophobicContact CD1-CG 4.48Å; L491-L657 VanDerWaalsContact CD1-O 3.23Å; L491-L657 WeakPolarHBondContact CD1-O 3.45Å; L491-E660 HydrophobicContact CD1-CB 3.66Å; L491-E660 HydrophobicContact CD2-CB 4.21Å; L491-E660 VanDerWaalsContact CD2-OE2 3.26Å; L491-E660 WeakPolarHBondContact CD2-OE2 3.23Å; L491-V661 HydrophobicContact CD1-CG2 3.78Å
492	A	98.1	Very high	97.6	Very high	35 Å²	35	30.8 Å²	30.8	29%	0.289	14%	0.143	S	C	.	.	H	α-helix	trans	-61.3	-38.1	173.3	0	0	0	0	0	112.2	L463 E488 R489 R495 E496	L463-A492 HydrophobicContact CD2-CB 4.02Å; E488-A492 VanDerWaalsContact O-CB 3.29Å; E488-A492 WeakPolarHBondContact O-CB 3.48Å; E488-A492 PolarHBondContact O-N 2.99Å; R489-A492 PolarHBondContact O-N 2.89Å; A492-R495 PolarHBondContact O-N 3.4Å; A492-E496 WeakPolarHBondContact O-CB 3.48Å; A492-E496 PolarHBondContact O-N 2.66Å
493	A	98.3	Very high	97.6	Very high	3 Å²	3	35 Å²	35	3%	0.025	17%	0.169	C	C	.	.	H	α-helix	trans	-62.6	-41.7	173.3	0	0	0	0	0	112.4	L463 I481 F484 R489 R490 L491 E496 L497	L463-A493 HydrophobicContact CD2-CB 3.77Å; I481-A493 HydrophobicContact CD1-CB 4.31Å; I481-A493 HydrophobicContact CG1-CB 4.24Å; I481-A493 HydrophobicContact CG2-CB 4.46Å; F484-A493 HydrophobicContact CD2-CB 3.88Å; F484-A493 HydrophobicContact CE2-CB 3.52Å; F484-A493 HydrophobicContact CZ-CB 4.35Å; R489-A493 PolarHBondContact O-N 3.04Å; R490-A493 WeakPolarHBondContact O-CB 3.45Å; R490-A493 PolarHBondContact O-N 3.17Å; L491-A493 VanDerWaalsContact C-N 3.31Å; L491-A493 PolarHBondContact O-N 2.97Å; A493-E496 PolarHBondContact O-N 2.97Å; A493-L497 WeakPolarHBondContact O-CG 3.24Å; A493-L497 PolarHBondContact O-N 3.04Å; A493-L497 VanDerWaalsContact O-N 3.1Å
494	V	98.5	Very high	97.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.2	-44.4	175.2	-174	0	0	0	0	110.8	I481 R490 L491 E496 L497 V498 I509 L657 V661 L680	I481-V494 HydrophobicContact CD1-CG2 3.86Å; R490-V494 PolarHBondContact O-N 3.01Å; L491-V494 PolarHBondContact O-N 3.03Å; V494-E496 PolarHBondContact O-N 3.01Å; V494-L497 PolarHBondContact O-N 3.27Å; V494-V498 VanDerWaalsContact O-CG2 3.31Å; V494-V498 WeakPolarHBondContact O-CG2 3.49Å; V494-V498 PolarHBondContact O-N 2.87Å; V494-V498 VanDerWaalsContact O-N 3.08Å; V494-I509 HydrophobicContact CG1-CD1 4.27Å; V494-I509 HydrophobicContact CG2-CD1 4.32Å; V494-L657 HydrophobicContact CG2-CD2 4.04Å; V494-L657 HydrophobicContact CG2-CG 4.36Å; V494-V661 HydrophobicContact CB-CG2 4.18Å; V494-V661 HydrophobicContact CG1-CG2 3.85Å; V494-L680 HydrophobicContact CG1-CD1 3.84Å
495	R	98.6	Very high	97.7	Very high	126 Å²	126	35.3 Å²	35.3	48%	0.475	18%	0.181	S	C	.	.	H	α-helix	trans	-57.4	-38.4	174.9	-72.9	175.8	177	141.8	5.5	112.2	L491 A492 V498 R499 E660 V661	L491-R495 VanDerWaalsContact CD2-NH2 3.3Å; L491-R495 WeakPolarHBondContact O-CG 3.34Å; L491-R495 PolarHBondContact O-N 3.27Å; A492-R495 PolarHBondContact O-N 3.4Å; R495-V498 PolarHBondContact O-N 2.82Å; R495-R499 PolarHBondContact O-N 3Å; R495-E660 PolarHBondContact NH2-O 2.69Å; R495-V661 HydrophobicContact CG-CB 4.49Å; R495-V661 HydrophobicContact CG-CG1 4.08Å; R495-V661 HydrophobicContact CG-CG2 3.71Å
496	E	98.6	Very high	97.8	Very high	19 Å²	19	37.8 Å²	37.8	9%	0.089	19%	0.192	C	C	.	.	H	α-helix	trans	-69.8	-42.4	179.7	-176.5	61	179.8	0	0	112.3	V465 A492 A493 V494 V498 R499 L500	V465-E496 HydrophobicContact CB-CG 4.44Å; V465-E496 WeakPolarHBondContact CB-OE1 3.45Å; V465-E496 HydrophobicContact CG2-CG 4.03Å; V465-E496 PolarHBondContact N-OE1 3.35Å; A492-E496 WeakPolarHBondContact O-CB 3.48Å; A492-E496 PolarHBondContact O-N 2.66Å; A493-E496 PolarHBondContact O-N 2.97Å; V494-E496 PolarHBondContact O-N 3.01Å; E496-V498 VanDerWaalsContact C-N 3.26Å; E496-V498 PolarHBondContact O-N 2.86Å; E496-R499 WeakPolarHBondContact O-CB 3.48Å; E496-R499 PolarHBondContact O-N 3.4Å; E496-R499 VanDerWaalsContact O-N 3.14Å; E496-R499 IonicContact OE1-CZ 3.45Å; E496-R499 IonicContact OE1-NE 3.94Å; E496-R499 PolarHBondContact OE1-NE 3.18Å; E496-R499 IonicContact OE1-NH2 3.77Å; E496-R499 PolarHBondContact OE1-NH2 2.88Å; E496-R499 IonicContact OE2-CZ 3.8Å; E496-R499 IonicContact OE2-NE 3.18Å; E496-R499 PolarHBondContact OE2-NE 2.77Å; E496-R499 IonicContact OE2-NH2 2.64Å; E496-L500 WeakPolarHBondContact O-CG 3.21Å; E496-L500 PolarHBondContact O-N 3.33Å; E496-L500 VanDerWaalsContact O-N 3.11Å
497	L	98.5	Very high	98	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.016	19%	0.185	C	C	.	.	H	α-helix	trans	-55.3	-43.8	170.2	-66.7	169.7	0	0	0	111.4	V421 C475 I481 A493 V494 R499 L500 L501 I509	V421-L497 HydrophobicContact CB-CD2 3.79Å; V421-L497 HydrophobicContact CG1-CD2 4.16Å; V421-L497 HydrophobicContact CG2-CD2 3.82Å; C475-L497 HydrophobicContact CB-CD2 4.01Å; I481-L497 HydrophobicContact CD1-CD1 4.14Å; A493-L497 WeakPolarHBondContact O-CG 3.24Å; A493-L497 PolarHBondContact O-N 3.04Å; A493-L497 VanDerWaalsContact O-N 3.1Å; V494-L497 PolarHBondContact O-N 3.27Å; L497-R499 VanDerWaalsContact C-N 3.34Å; L497-L500 PolarHBondContact O-N 2.83Å; L497-L501 WeakPolarHBondContact O-CG 3.32Å; L497-L501 PolarHBondContact O-N 3Å; L497-I509 HydrophobicContact CD1-CD1 3.9Å; L497-I509 HydrophobicContact CD1-CG1 3.87Å
498	V	98.3	Very high	98.2	Very high	10 Å²	10	32 Å²	32	6%	0.061	16%	0.164	C	C	.	.	H	α-helix	trans	-69.7	-30.2	179.4	173.9	0	0	0	0	112.5	V494 R495 E496 V661 V664 L680 K682	V494-V498 VanDerWaalsContact O-CG2 3.31Å; V494-V498 WeakPolarHBondContact O-CG2 3.49Å; V494-V498 PolarHBondContact O-N 2.87Å; V494-V498 VanDerWaalsContact O-N 3.08Å; R495-V498 PolarHBondContact O-N 2.82Å; E496-V498 VanDerWaalsContact C-N 3.26Å; E496-V498 PolarHBondContact O-N 2.86Å; V498-V661 HydrophobicContact CB-CG1 4.16Å; V498-V661 HydrophobicContact CG1-CG1 4.04Å; V498-V661 HydrophobicContact CG2-CG1 4.07Å; V498-V664 HydrophobicContact CB-CG1 4.12Å; V498-V664 HydrophobicContact CG1-CG1 3.45Å; V498-V664 VanDerWaalsContact CG1-CG1 3.45Å; V498-V664 HydrophobicContact CG2-CG1 3.46Å; V498-V664 VanDerWaalsContact CG2-CG1 3.46Å; V498-L680 HydrophobicContact CG2-CD1 4.41Å; V498-K682 HydrophobicContact CG1-CD 4.41Å; V498-K682 HydrophobicContact CG1-CG 4.48Å; V498-K682 WeakPolarHBondContact O-CD 3.47Å; V498-K682 WeakPolarHBondContact O-CE 3.22Å; V498-K682 PolarHBondContact O-NZ 3.47Å
499	R	98.3	Very high	98.3	Very high	68 Å²	68	26.4 Å²	26.4	26%	0.257	14%	0.137	S	C	.	.	H	α-helix	trans	-64.5	-42.6	171.7	-169.2	-171.5	65.4	75.5	-0.6	111.2	V465 L467 T469 D470 R495 E496 L497	V465-R499 PolarHBondContact O-NH2 2.82Å; L467-R499 PolarHBondContact O-NH1 3.05Å; L467-R499 PolarHBondContact O-NH2 2.8Å; T469-R499 VanDerWaalsContact CA-O 3.27Å; T469-R499 WeakPolarHBondContact CA-O 3.48Å; T469-R499 HydrophobicContact CG2-CG 3.74Å; T469-R499 WeakPolarHBondContact CG2-O 3.06Å; T469-R499 VanDerWaalsContact N-NH1 3.16Å; T469-R499 WeakPolarHBondContact OG1-CG 3.44Å; T469-R499 PolarHBondContact OG1-NH1 2.86Å; D470-R499 PolarHBondContact N-O 2.92Å; R495-R499 PolarHBondContact O-N 3Å; E496-R499 WeakPolarHBondContact O-CB 3.48Å; E496-R499 PolarHBondContact O-N 3.4Å; E496-R499 VanDerWaalsContact O-N 3.14Å; E496-R499 IonicContact OE1-CZ 3.45Å; E496-R499 IonicContact OE1-NE 3.94Å; E496-R499 PolarHBondContact OE1-NE 3.18Å; E496-R499 IonicContact OE1-NH2 3.77Å; E496-R499 PolarHBondContact OE1-NH2 2.88Å; E496-R499 IonicContact OE2-CZ 3.8Å; E496-R499 IonicContact OE2-NE 3.18Å; E496-R499 PolarHBondContact OE2-NE 2.77Å; E496-R499 IonicContact OE2-NH2 2.64Å; L497-R499 VanDerWaalsContact C-N 3.34Å
500	L	98.6	Very high	98.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.1	-38.6	-179.4	-64.5	-176.7	0	0	0	113.3	A419 V421 V465 L467 S471 C472 E496 L497	A419-L500 HydrophobicContact CB-CD1 4.29Å; V421-L500 HydrophobicContact CG2-CD1 4.04Å; V465-L500 HydrophobicContact CB-CD1 4.14Å; V465-L500 HydrophobicContact CB-CD2 4.45Å; V465-L500 HydrophobicContact CG1-CD1 4.08Å; V465-L500 HydrophobicContact CG2-CD1 4.35Å; L467-L500 HydrophobicContact CB-CD2 3.6Å; S471-L500 PolarHBondContact N-O 3.27Å; C472-L500 PolarHBondContact N-O 3.11Å; E496-L500 WeakPolarHBondContact O-CG 3.21Å; E496-L500 PolarHBondContact O-N 3.33Å; E496-L500 VanDerWaalsContact O-N 3.11Å; L497-L500 PolarHBondContact O-N 2.83Å
501	L	98.8	Very high	98.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	137.7	178.3	-71.9	179.8	0	0	0	112.8	C472 C475 L497 Q506 A507 K682	C472-L501 CarbonylContact O-C 3.59Å; C472-L501 WeakPolarHBondContact O-CA 3.18Å; C475-L501 HydrophobicContact CB-CD2 4.21Å; L497-L501 WeakPolarHBondContact O-CG 3.32Å; L497-L501 PolarHBondContact O-N 3Å; L501-Q506 WeakPolarHBondContact CD2-O 3.24Å; L501-A507 HydrophobicContact CD1-CB 3.89Å; L501-K682 HydrophobicContact CB-CB 4.22Å; L501-K682 HydrophobicContact CB-CD 3.96Å; L501-K682 HydrophobicContact CD1-CB 4.29Å; L501-K682 WeakPolarHBondContact O-CD 3.31Å; L501-K682 PolarHBondContact O-NZ 2.68Å
502	K	98.5	Very high	98.3	Very high	61 Å²	61	25.8 Å²	25.8	27%	0.265	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	156	160.4	-67.8	157.3	176.7	169	0	110.8	D470 S471 C472 D473 G504 G505	D470-K502 WeakPolarHBondContact O-CG 3.3Å; S471-K502 WeakPolarHBondContact O-CE 3.18Å; C472-K502 WeakPolarHBondContact O-CG 3.26Å; C472-K502 PolarHBondContact O-N 3.29Å; D473-K502 VanDerWaalsContact OD1-CD 3.23Å; D473-K502 WeakPolarHBondContact OD1-CD 3.42Å; D473-K502 IonicContact OD1-NZ 3.61Å; D473-K502 PolarHBondContact OD1-NZ 2.83Å; D473-K502 IonicContact OD2-NZ 3.44Å; D473-K502 PolarHBondContact OD2-NZ 3.04Å; K502-G504 PolarHBondContact O-N 2.6Å; K502-G505 WeakPolarHBondContact O-CA 3.43Å; K502-G505 PolarHBondContact O-N 3.32Å
503	P	98.1	Very high	98.1	Very high	87 Å²	87	24.1 Å²	24.1	57%	0.565	12%	0.12	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-50.2	132.2	163.9	-26	35.9	0	0	0	110.6	G505	P503-G505 VanDerWaalsContact C-N 3.27Å; P503-G505 PolarHBondContact O-N 2.98Å
504	G	97.6	Very high	97.6	Very high	29 Å²	29	27.5 Å²	27.5	30%	0.299	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	78.7	-8.6	-173.4	0	0	0	0	0	116.8	K502 K681 K682	K502-G504 PolarHBondContact O-N 2.6Å; G504-K681 VanDerWaalsContact CA-CE 3.45Å; G504-K681 WeakPolarHBondContact O-CE 3.47Å; G504-K682 WeakPolarHBondContact CA-O 3.24Å; G504-K682 PolarHBondContact N-O 3.23Å
505	G	98.3	Very high	97.1	Very high	7 Å²	7	29.6 Å²	29.6	7%	0.072	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	164.3	177.1	0	0	0	0	0	113.6	D473 K502 P503 K681 K682	D473-G505 WeakPolarHBondContact O-CA 3.48Å; K502-G505 WeakPolarHBondContact O-CA 3.43Å; K502-G505 PolarHBondContact O-N 3.32Å; P503-G505 VanDerWaalsContact C-N 3.27Å; P503-G505 PolarHBondContact O-N 2.98Å; G505-K681 CarbonylContact O-C 3.49Å; G505-K681 WeakPolarHBondContact O-CA 3.49Å; G505-K682 PolarHBondContact O-N 2.65Å
506	Q	98.6	Very high	96.3	Very high	57 Å²	57	24.1 Å²	24.1	27%	0.266	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	133.8	-170.5	-63.9	175.2	-78.2	0	0	114.4	F408 D473 A474 C475 L501 L680 K681	F408-Q506 HydrophobicContact CE2-CB 4.18Å; F408-Q506 HydrophobicContact CZ-CB 4.11Å; D473-Q506 PolarHBondContact O-N 2.6Å; D473-Q506 VanDerWaalsContact O-N 3.1Å; A474-Q506 CarbonylContact C-O 3.57Å; A474-Q506 WeakPolarHBondContact CA-O 3.35Å; C475-Q506 PolarHBondContact N-O 3.48Å; L501-Q506 WeakPolarHBondContact CD2-O 3.24Å; Q506-L680 CarbonylContact C-O 3.58Å; Q506-L680 WeakPolarHBondContact CA-O 3.37Å; Q506-K681 HydrophobicContact CG-CB 4.35Å
507	A	98.6	Very high	95.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129.2	171.6	0	0	0	0	0	111	C475 L501 I679 L680	C475-A507 HydrophobicContact CB-CB 4.29Å; C475-A507 CarbonylContact O-C 3.53Å; C475-A507 VanDerWaalsContact O-CA 3.29Å; C475-A507 WeakPolarHBondContact O-CA 3.12Å; L501-A507 HydrophobicContact CD1-CB 3.89Å; A507-I679 CarbonylContact O-C 3.6Å; A507-I679 WeakPolarHBondContact O-CA 3.46Å; A507-L680 HydrophobicContact CB-CB 4.34Å; A507-L680 PolarHBondContact N-O 2.91Å; A507-L680 PolarHBondContact O-N 3.05Å
508	L	98.8	Very high	94.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	118.2	169.7	174.5	68	0	0	0	110.3	V405 F408 C475 I476 S477 I478 Y510 I679	V405-L508 HydrophobicContact CB-CD2 4.4Å; V405-L508 HydrophobicContact CG1-CD2 4.19Å; V405-L508 HydrophobicContact CG2-CD2 4.22Å; F408-L508 HydrophobicContact CB-CD2 3.83Å; F408-L508 HydrophobicContact CD1-CB 3.94Å; F408-L508 HydrophobicContact CD1-CD2 3.78Å; F408-L508 HydrophobicContact CD2-CB 4.38Å; F408-L508 HydrophobicContact CD2-CD2 4.47Å; F408-L508 HydrophobicContact CE1-CB 3.79Å; F408-L508 HydrophobicContact CE1-CD2 4.47Å; F408-L508 HydrophobicContact CE2-CB 4.24Å; F408-L508 HydrophobicContact CG-CB 4.24Å; F408-L508 HydrophobicContact CG-CD2 3.78Å; F408-L508 HydrophobicContact CZ-CB 3.94Å; C475-L508 PolarHBondContact O-N 2.63Å; I476-L508 WeakPolarHBondContact CA-O 3.42Å; I476-L508 HydrophobicContact CG2-CB 4.11Å; S477-L508 PolarHBondContact N-O 3.15Å; I478-L508 HydrophobicContact CD1-CD2 4.22Å; I478-L508 HydrophobicContact CD1-CG 4.14Å; L508-Y510 HydrophobicContact CD1-CD2 4.08Å; L508-Y510 HydrophobicContact CD1-CE2 3.9Å; L508-Y510 HydrophobicContact CD2-CD2 4.39Å; L508-Y510 HydrophobicContact CD2-CE2 4.06Å; L508-Y510 HydrophobicContact CG-CD2 4.1Å; L508-Y510 HydrophobicContact CG-CE2 4.13Å; L508-I679 HydrophobicContact CD1-CD1 4.28Å; L508-I679 HydrophobicContact CD1-CG1 3.56Å
509	I	98.8	Very high	92.9	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	137.2	179.9	-60.2	167.3	0	0	0	109.3	I481 V494 L497 V511 L654 C677 V678 L680	I481-I509 HydrophobicContact CD1-CD1 4.2Å; I481-I509 HydrophobicContact CD1-CG1 4.4Å; I481-I509 HydrophobicContact CD1-CG2 3.83Å; V494-I509 HydrophobicContact CG1-CD1 4.27Å; V494-I509 HydrophobicContact CG2-CD1 4.32Å; L497-I509 HydrophobicContact CD1-CD1 3.9Å; L497-I509 HydrophobicContact CD1-CG1 3.87Å; I509-V511 HydrophobicContact CG2-CG1 4.08Å; I509-L654 HydrophobicContact CB-CD2 4.47Å; I509-L654 HydrophobicContact CG2-CD1 3.91Å; I509-L654 HydrophobicContact CG2-CD2 4.03Å; I509-C677 VanDerWaalsContact O-CA 3.29Å; I509-C677 WeakPolarHBondContact O-CA 3.45Å; I509-V678 PolarHBondContact N-O 3.28Å; I509-V678 PolarHBondContact O-N 2.71Å; I509-L680 HydrophobicContact CD1-CD1 3.94Å; I509-L680 HydrophobicContact CD1-CG 4.47Å
510	Y	98.3	Very high	91.5	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	124.9	172.8	-96.1	-113	0	0	0	109.7	W402 R404 V405 S477 I478 A479 L508 D672 N675 C677	W402-Y510 AromaticContact CE3-CD1 3.73Å; W402-Y510 HydrophobicContact CE3-CD1 3.73Å; W402-Y510 AromaticContact CE3-CE1 3.75Å; W402-Y510 HydrophobicContact CE3-CE1 3.75Å; W402-Y510 HydrophobicContact CE3-CG 4.47Å; W402-Y510 AromaticContact CZ3-CD1 3.46Å; W402-Y510 HydrophobicContact CZ3-CD1 3.46Å; W402-Y510 VanDerWaalsContact CZ3-CD1 3.46Å; W402-Y510 AromaticContact CZ3-CE1 3.95Å; W402-Y510 HydrophobicContact CZ3-CE1 3.95Å; W402-Y510 HydrophobicContact CZ3-CG 4.16Å; R404-Y510 VanDerWaalsContact CB-OH 3.25Å; R404-Y510 WeakPolarHBondContact CB-OH 3.5Å; V405-Y510 HydrophobicContact CG2-CD2 4.15Å; V405-Y510 HydrophobicContact CG2-CE1 4.48Å; V405-Y510 HydrophobicContact CG2-CE2 3.62Å; S477-Y510 PolarHBondContact O-N 2.98Å; S477-Y510 VanDerWaalsContact O-N 3.08Å; I478-Y510 HydrophobicContact CD1-CD2 3.65Å; I478-Y510 HydrophobicContact CD1-CE2 4.46Å; I478-Y510 HydrophobicContact CD1-CG 4.13Å; I478-Y510 HydrophobicContact CG2-CG 4.36Å; A479-Y510 WeakPolarHBondContact CA-O 3.5Å; A479-Y510 PolarHBondContact N-O 3.32Å; L508-Y510 HydrophobicContact CD1-CD2 4.08Å; L508-Y510 HydrophobicContact CD1-CE2 3.9Å; L508-Y510 HydrophobicContact CD2-CD2 4.39Å; L508-Y510 HydrophobicContact CD2-CE2 4.06Å; L508-Y510 HydrophobicContact CG-CD2 4.1Å; L508-Y510 HydrophobicContact CG-CE2 4.13Å; Y510-D672 HydrophobicContact CE1-CB 3.93Å; Y510-D672 WeakPolarHBondContact CE1-OD2 3.34Å; Y510-D672 PolarHBondContact OH-OD2 2.94Å; Y510-N675 HydrophobicContact CD1-CB 3.94Å; Y510-C677 HydrophobicContact CD1-CB 4.43Å; Y510-C677 WeakPolarHBondContact CD1-SG 3.33Å; Y510-C677 HydrophobicContact CD2-CB 4.05Å; Y510-C677 HydrophobicContact CE1-CB 4.39Å; Y510-C677 WeakPolarHBondContact CE1-SG 3.44Å; Y510-C677 HydrophobicContact CE2-CB 3.98Å; Y510-C677 HydrophobicContact CG-CB 4.28Å
511	V	97.9	Very high	90.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	156.8	176.3	-57.5	0	0	0	0	110.9	I481 I509 F649 L654 N675 W676	I481-V511 HydrophobicContact CB-CG1 4.15Å; I509-V511 HydrophobicContact CG2-CG1 4.08Å; V511-F649 HydrophobicContact CB-CD2 3.58Å; V511-F649 HydrophobicContact CB-CE2 3.67Å; V511-F649 HydrophobicContact CB-CG 4.13Å; V511-F649 HydrophobicContact CB-CZ 4.28Å; V511-F649 HydrophobicContact CG1-CD2 4.12Å; V511-F649 HydrophobicContact CG1-CE2 3.69Å; V511-F649 HydrophobicContact CG1-CZ 3.9Å; V511-F649 HydrophobicContact CG2-CB 3.76Å; V511-F649 HydrophobicContact CG2-CD1 3.91Å; V511-F649 HydrophobicContact CG2-CD2 3.43Å; V511-F649 VanDerWaalsContact CG2-CD2 3.43Å; V511-F649 HydrophobicContact CG2-CE1 4.31Å; V511-F649 HydrophobicContact CG2-CE2 3.89Å; V511-F649 HydrophobicContact CG2-CG 3.43Å; V511-F649 VanDerWaalsContact CG2-CG 3.43Å; V511-F649 HydrophobicContact CG2-CZ 4.29Å; V511-L654 HydrophobicContact CG1-CD1 4.32Å; V511-L654 HydrophobicContact CG1-CD2 4.49Å; V511-L654 HydrophobicContact CG2-CB 4.34Å; V511-L654 HydrophobicContact CG2-CD2 3.91Å; V511-L654 HydrophobicContact CG2-CG 4.48Å; V511-N675 CarbonylContact O-C 3.54Å; V511-N675 WeakPolarHBondContact O-CA 3.43Å; V511-N675 WeakPolarHBondContact O-CB 3.32Å; V511-W676 HydrophobicContact CG2-CB 3.99Å; V511-W676 PolarHBondContact N-O 2.92Å; V511-W676 PolarHBondContact O-N 3.31Å
512	W	95.6	Very high	88.9	Confident	37 Å²	37	54.2 Å²	54.2	14%	0.14	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	134.4	178.9	-84.3	19.9	0	0	0	110.1	H482 Y525 F588 V595 Y646 V648 F649 N675	H482-W512 AromaticContact CE1-CD1 3.5Å; H482-W512 VanDerWaalsContact CE1-CD1 3.5Å; H482-W512 AromaticContact CE1-CG 3.87Å; H482-W512 PolarHBondContact ND1-N 2.95Å; W512-Y525 HydrophobicContact CH2-CD2 4.41Å; W512-Y525 AromaticContact CH2-CE2 3.94Å; W512-Y525 HydrophobicContact CH2-CE2 3.94Å; W512-Y525 HydrophobicContact CZ3-CE2 4.35Å; W512-F588 HydrophobicContact CE3-CE2 4.38Å; W512-F588 AromaticContact CE3-CZ 3.71Å; W512-F588 HydrophobicContact CE3-CZ 3.71Å; W512-F588 HydrophobicContact CZ3-CE1 4.49Å; W512-F588 AromaticContact CZ3-CZ 3.86Å; W512-F588 HydrophobicContact CZ3-CZ 3.86Å; W512-V595 HydrophobicContact CH2-CG1 4.36Å; W512-V595 HydrophobicContact CZ3-CG1 4.13Å; W512-V595 HydrophobicContact CZ3-CG2 4.36Å; W512-Y646 AromaticContact CD2-CD1 3.92Å; W512-Y646 HydrophobicContact CD2-CD1 3.92Å; W512-Y646 AromaticContact CD2-CE1 3.44Å; W512-Y646 HydrophobicContact CD2-CE1 3.44Å; W512-Y646 VanDerWaalsContact CD2-CE1 3.44Å; W512-Y646 AromaticContact CE2-CE1 3.79Å; W512-Y646 AromaticContact CE3-CD1 3.69Å; W512-Y646 HydrophobicContact CE3-CD1 3.69Å; W512-Y646 AromaticContact CE3-CE1 3.51Å; W512-Y646 HydrophobicContact CE3-CE1 3.51Å; W512-Y646 HydrophobicContact CG-CD1 4.27Å; W512-Y646 AromaticContact CG-CE1 3.94Å; W512-Y646 HydrophobicContact CG-CE1 3.94Å; W512-Y646 HydrophobicContact CH2-CE1 4.28Å; W512-Y646 HydrophobicContact CZ2-CE1 4.21Å; W512-Y646 HydrophobicContact CZ3-CD1 4.3Å; W512-Y646 AromaticContact CZ3-CE1 3.94Å; W512-Y646 HydrophobicContact CZ3-CE1 3.94Å; W512-V648 HydrophobicContact CB-CB 4.48Å; W512-V648 HydrophobicContact CB-CG1 3.84Å; W512-V648 HydrophobicContact CE3-CG1 4.25Å; W512-V648 CarbonylContact O-C 3.46Å; W512-V648 WeakPolarHBondContact O-CA 3.24Å; W512-F649 PolarHBondContact O-N 3.31Å; W512-N675 VanDerWaalsContact CD1-OD1 3.28Å
513	A	94	Very high	87.8	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-81.6	142.8	176.5	0	0	0	0	0	111.4	E515 Q516 F588 F649 G674 W676	A513-E515 VanDerWaalsContact C-N 3.27Å; A513-Q516 PolarHBondContact O-NE2 3.37Å; A513-F588 WeakPolarHBondContact O-CD2 3.37Å; A513-F588 WeakPolarHBondContact O-CE2 3.32Å; A513-F649 CarbonylContact C-O 3.58Å; A513-F649 WeakPolarHBondContact CA-O 3.27Å; A513-G674 PolarHBondContact N-O 3.4Å; A513-W676 VanDerWaalsContact CB-CD1 3.46Å; A513-W676 HydrophobicContact CB-CG 4.18Å
514	Y	89.6	Confident	86.7	Confident	73 Å²	73	56.1 Å²	56.1	29%	0.286	26%	0.262	S	S	.	.	S	Bend	trans	-64.2	-39.1	165	-175	-108.1	0	0	0	109.9	Q516 F588 Q591 V648 F649 Q650	Y514-Q516 PolarHBondContact O-N 2.55Å; Y514-F588 HydrophobicContact CD2-CB 3.67Å; Y514-F588 HydrophobicContact CE2-CB 3.71Å; Y514-Q591 HydrophobicContact CD2-CG 4.31Å; Y514-V648 HydrophobicContact CD2-CG2 3.77Å; Y514-F649 PolarHBondContact N-O 3.45Å; Y514-Q650 HydrophobicContact CD1-CG 4.21Å; Y514-Q650 HydrophobicContact CG-CG 4.24Å
515	E	86.8	Confident	85	Confident	45 Å²	45	56.7 Å²	56.7	21%	0.21	26%	0.256	C	S	.	.			trans	-76.7	85.9	178.5	-54	79.9	-176.1	0	0	111.7	A513 E517 Q650 Q651 W676	A513-E515 VanDerWaalsContact C-N 3.27Å; E515-E517 PolarHBondContact O-N 3.39Å; E515-Q650 WeakPolarHBondContact OE1-CA 3.25Å; E515-Q651 PolarHBondContact OE1-N 2.69Å; E515-Q651 PolarHBondContact OE2-N 3.01Å; E515-W676 PolarHBondContact OE2-NE1 2.92Å
516	Q	81.1	Confident	83	Confident	10 Å²	10	58.2 Å²	58.2	5%	0.047	26%	0.262	C	S	.	.	S	Bend	trans	-77.6	3.7	174.9	-66.9	-61.8	-51.9	0	0	114.3	A513 Y514 S523 L526 F588 G674	A513-Q516 PolarHBondContact O-NE2 3.37Å; Y514-Q516 PolarHBondContact O-N 2.55Å; Q516-S523 PolarHBondContact O-N 3.46Å; Q516-S523 PolarHBondContact O-OG 3.36Å; Q516-S523 PolarHBondContact OE1-OG 2.93Å; Q516-L526 HydrophobicContact CB-CD1 4.01Å; Q516-L526 HydrophobicContact CB-CD2 4.01Å; Q516-L526 HydrophobicContact CB-CG 3.99Å; Q516-L526 WeakPolarHBondContact O-CD1 3.5Å; Q516-F588 HydrophobicContact CG-CD2 3.75Å; Q516-F588 HydrophobicContact CG-CE2 3.52Å; Q516-F588 HydrophobicContact CG-CZ 4.39Å; Q516-G674 PolarHBondContact NE2-O 3.26Å
517	E	80.8	Confident	80.8	Confident	94 Å²	94	61 Å²	61	44%	0.439	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	126.9	163.1	-175.6	174	155.8	0	0	109	E515 Q521 K522	E515-E517 PolarHBondContact O-N 3.39Å; E517-Q521 WeakPolarHBondContact CA-O 3.32Å; E517-K522 HydrophobicContact CB-CG 4.09Å; E517-K522 HydrophobicContact CG-CG 3.83Å; E517-K522 WeakPolarHBondContact OE2-CE 3.38Å; E517-K522 WeakPolarHBondContact OE2-CG 3.37Å; E517-K522 IonicContact OE2-NZ 2.81Å
518	Y	73.9	Confident	78.2	Confident	62 Å²	62	67 Å²	67	24%	0.243	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	138.1	-177.8	-175.1	-107	0	0	0	110.4	K520 Q521 H671 W676	Y518-K520 PolarHBondContact O-N 3.47Å; Y518-K520 VanDerWaalsContact O-N 3.15Å; Y518-Q521 PolarHBondContact N-O 3.09Å; Y518-Q521 PolarHBondContact O-N 3.13Å; Y518-H671 HydrophobicContact CD1-CB 3.67Å; Y518-H671 AromaticContact CD1-CG 3.78Å; Y518-H671 AromaticContact CD1-ND1 3.56Å; Y518-H671 HydrophobicContact CE1-CB 3.86Å; Y518-H671 HydrophobicContact CG-CB 4.17Å; Y518-H671 AromaticContact CG-CG 3.95Å; Y518-H671 AromaticContact CG-ND1 3.78Å; Y518-W676 AromaticContact CD2-CH2 3.95Å; Y518-W676 HydrophobicContact CD2-CH2 3.95Å; Y518-W676 HydrophobicContact CD2-CZ2 4.28Å; Y518-W676 AromaticContact CE2-CH2 3.58Å; Y518-W676 HydrophobicContact CE2-CH2 3.58Å; Y518-W676 HydrophobicContact CE2-CZ2 4.27Å; Y518-W676 AromaticContact CZ-CH2 3.92Å
519	N	70.1	Confident	75.4	Confident	125 Å²	125	74.6 Å²	74.6	67%	0.668	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	38.5	-174.8	-71.3	-12.3	0	0	0	114	Q521	N519-Q521 PolarHBondContact O-N 2.92Å
520	K	69.2	Low	72.3	Confident	196 Å²	196	81.7 Å²	81.7	85%	0.852	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	16.9	-175.2	-50.4	176.1	-177.2	175.9	0	114.6	Y518	Y518-K520 PolarHBondContact O-N 3.47Å; Y518-K520 VanDerWaalsContact O-N 3.15Å
521	Q	68.4	Low	69	Low	139 Å²	139	90.7 Å²	90.7	65%	0.65	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.9	120.7	171.8	-62.3	-171.2	2.6	0	0	109.8	E517 Y518 N519	E517-Q521 WeakPolarHBondContact CA-O 3.32Å; Y518-Q521 PolarHBondContact N-O 3.09Å; Y518-Q521 PolarHBondContact O-N 3.13Å; N519-Q521 PolarHBondContact O-N 2.92Å
522	K	73.7	Confident	65.8	Low	117 Å²	117	96.5 Å²	96.5	51%	0.509	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	142.2	173.6	-70.9	179.1	179.1	175.8	0	110.5	E517 L526	E517-K522 HydrophobicContact CB-CG 4.09Å; E517-K522 HydrophobicContact CG-CG 3.83Å; E517-K522 WeakPolarHBondContact OE2-CE 3.38Å; E517-K522 WeakPolarHBondContact OE2-CG 3.37Å; E517-K522 IonicContact OE2-NZ 2.81Å; K522-L526 HydrophobicContact CB-CD1 4.18Å; K522-L526 HydrophobicContact CD-CD1 4.25Å; K522-L526 HydrophobicContact CG-CD1 4.08Å
523	S	75.8	Confident	62.7	Low	6 Å²	6	104.2 Å²	104.2	4%	0.042	49%	0.493	C	S	.	.			trans	-66.3	156.1	171.9	79.3	0	0	0	0	110.9	Q516 Y525 L526	Q516-S523 PolarHBondContact O-N 3.46Å; Q516-S523 PolarHBondContact O-OG 3.36Å; Q516-S523 PolarHBondContact OE1-OG 2.93Å; S523-Y525 PolarHBondContact O-N 3.15Å; S523-Y525 VanDerWaalsContact OG-CB 3.31Å; S523-Y525 WeakPolarHBondContact OG-CB 3.31Å; S523-Y525 PolarHBondContact OG-N 3.32Å; S523-L526 PolarHBondContact O-N 3.21Å
524	K	74.1	Confident	59.5	Low	181 Å²	181	111.8 Å²	111.8	79%	0.787	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-0.5	171.5	-70.3	169.8	-171.6	165.9	0	113.6	Q673	K524-Q673 VanDerWaalsContact CG-OE1 3.28Å
525	Y	62.8	Low	56.7	Low	42 Å²	42	112.2 Å²	112.2	17%	0.165	56%	0.56	C	S	.	*	T	Hydrogen-bonded Turn	trans	-76.8	-40.4	173.5	-175.1	-107	0	0	0	111.7	W512 S523 H582 N584 R585 F588	W512-Y525 HydrophobicContact CH2-CD2 4.41Å; W512-Y525 AromaticContact CH2-CE2 3.94Å; W512-Y525 HydrophobicContact CH2-CE2 3.94Å; W512-Y525 HydrophobicContact CZ3-CE2 4.35Å; S523-Y525 PolarHBondContact O-N 3.15Å; S523-Y525 VanDerWaalsContact OG-CB 3.31Å; S523-Y525 WeakPolarHBondContact OG-CB 3.31Å; S523-Y525 PolarHBondContact OG-N 3.32Å; Y525-H582 AromaticContact CE1-NE2 3.49Å; Y525-H582 WeakPolarHBondContact CE1-NE2 3.35Å; Y525-H582 AromaticContact CZ-NE2 3.73Å; Y525-H582 PolarHBondContact OH-CD2 3.29Å; Y525-H582 PolarHBondContact OH-NE2 3.47Å; Y525-H582 VanDerWaalsContact OH-NE2 3.07Å; Y525-N584 WeakPolarHBondContact OH-CA 3.5Å; Y525-N584 PolarHBondContact OH-OD1 3.33Å; Y525-R585 WeakPolarHBondContact O-CB 3.45Å; Y525-R585 WeakPolarHBondContact O-CD 3.19Å; Y525-R585 WeakPolarHBondContact O-CG 3.49Å; Y525-R585 PolarHBondContact OH-N 3Å; Y525-F588 HydrophobicContact CE1-CE1 4.4Å; Y525-F588 HydrophobicContact CE1-CZ 4.18Å
526	L	56.9	Low	53.8	Low	38 Å²	38	113.6 Å²	113.6	20%	0.199	59%	0.587	C	S	.	*	S	Bend	trans	-69.3	150.5	-176.8	-63	-179.8	0	0	0	112.5	Q516 K522 S523 T586	Q516-L526 HydrophobicContact CB-CD1 4.01Å; Q516-L526 HydrophobicContact CB-CD2 4.01Å; Q516-L526 HydrophobicContact CB-CG 3.99Å; Q516-L526 WeakPolarHBondContact O-CD1 3.5Å; K522-L526 HydrophobicContact CB-CD1 4.18Å; K522-L526 HydrophobicContact CD-CD1 4.25Å; K522-L526 HydrophobicContact CG-CD1 4.08Å; S523-L526 PolarHBondContact O-N 3.21Å; L526-T586 VanDerWaalsContact CD2-O 3.26Å; L526-T586 WeakPolarHBondContact CD2-O 3.34Å
527	K	52.3	Low	51.4	Low	115 Å²	115	123.4 Å²	123.4	50%	0.5	63%	0.629	S	S	.	*			trans	-85.3	124.8	164.8	-82.3	171.2	173.3	173.5	0	110.1	H529 R585	K527-H529 PolarHBondContact O-N 3.4Å; K527-H529 VanDerWaalsContact O-N 3.15Å; K527-R585 HydrophobicContact CD-CB 4.38Å; K527-R585 HydrophobicContact CG-CB 4Å; K527-R585 PolarHBondContact N-O 3.06Å
528	D	43.7	Very low	48.8	Very low	127 Å²	127	124.9 Å²	124.9	68%	0.679	65%	0.65	S	S	*	*			trans	-65.8	111	158.5	-86.5	-33.6	0	0	0	109.6	N530	D528-N530 VanDerWaalsContact C-N 3.34Å
529	H	40.6	Very low	46.7	Very low	159 Å²	159	131.7 Å²	131.7	74%	0.736	68%	0.681	S	S	*	*			trans	-86	-3.4	175	-92.7	-93.1	0	0	0	113.7	K527	K527-H529 PolarHBondContact O-N 3.4Å; K527-H529 VanDerWaalsContact O-N 3.15Å
530	N	32.7	Very low	44.7	Very low	149 Å²	149	133.1 Å²	133.1	80%	0.797	69%	0.688	S	S	*	*			trans	-121.9	83.5	-177.8	-81.4	-19.6	0	0	0	113	D528	D528-N530 VanDerWaalsContact C-N 3.34Å
531	K	28.5	Very low	42.5	Very low	189 Å²	189	133.4 Å²	133.4	82%	0.822	69%	0.689	S	S	*	*			trans	-135.1	104.6	145.3	-80.3	-166.5	177	179.4	0	109.2
532	P	30.5	Very low	40.5	Very low	122 Å²	122	132.5 Å²	132.5	79%	0.792	70%	0.696	S	S	*	*			trans	-63.2	142.3	167	26.9	-31.6	0	0	0	109	N534	P532-N534 PolarHBondContact O-N 2.98Å
533	Q	30.3	Very low	38.1	Very low	199 Å²	199	136.2 Å²	136.2	93%	0.93	72%	0.715	S	S	*	*			trans	-66.1	117.4	172.5	-71.5	-177.1	-10.4	0	0	109
534	N	28.6	Very low	35.6	Very low	160 Å²	160	144.5 Å²	144.5	86%	0.856	75%	0.753	S	S	*	*			trans	-146.9	129.2	162	-136.3	-13.7	0	0	0	109.6	P532	P532-N534 PolarHBondContact O-N 2.98Å
535	G	29.7	Very low	33.4	Very low	82 Å²	82	142.5 Å²	142.5	85%	0.845	76%	0.756	S	S	*	*			trans	-80.9	125.2	-175.5	0	0	0	0	0	111.5
536	G	25.8	Very low	31.5	Very low	74 Å²	74	149 Å²	149	76%	0.763	79%	0.787	S	S	*	*			trans	-163.6	115.9	176.3	0	0	0	0	0	112
537	K	30.3	Very low	29.8	Very low	216 Å²	216	155.4 Å²	155.4	94%	0.939	82%	0.816	S	S	*	*			trans	-76.5	129.1	171.5	-67.2	178.9	179	178.3	0	109.5
538	S	26.9	Very low	28.8	Very low	125 Å²	125	153.9 Å²	153.9	87%	0.874	82%	0.819	S	S	*	*			trans	-137.1	151.2	159.9	-83.8	0	0	0	0	109.6
539	K	28.9	Very low	27.8	Very low	204 Å²	204	157.9 Å²	157.9	89%	0.887	83%	0.826	S	S	*	*			trans	-89.4	165.6	-165.6	-68.4	177.1	175.2	178.5	0	113.7
540	D	28.5	Very low	26.9	Very low	156 Å²	156	160.2 Å²	160.2	83%	0.834	83%	0.833	S	S	*	*			trans	-55.6	148.3	171.8	-39.5	-95.8	0	0	0	113.5
541	K	23.3	Very low	26.5	Very low	201 Å²	201	162 Å²	162	87%	0.874	84%	0.837	S	S	*	*			trans	-142.2	149.5	143.8	-88.9	-160	172.8	-171.8	0	109.2
542	P	26.3	Very low	26.3	Very low	120 Å²	120	159 Å²	159	78%	0.779	84%	0.837	S	S	*	*			trans	-78.7	165.8	-171.4	33.1	-37.1	0	0	0	113.2
543	E	24.4	Very low	26	Very low	196 Å²	196	158.2 Å²	158.2	92%	0.916	83%	0.834	S	S	*	*			trans	-66.5	144.5	170.4	-60	176.8	135.2	0	0	110.9
544	E	22.5	Very low	25.7	Very low	179 Å²	179	155 Å²	155	84%	0.836	83%	0.828	S	S	*	*			trans	-118.7	131.5	177.7	-163	167.1	-122.8	0	0	109.5
545	V	27.5	Very low	25.5	Very low	140 Å²	140	155.1 Å²	155.1	85%	0.848	83%	0.828	S	S	*	*			trans	-87.6	125.6	-171.3	176.8	0	0	0	0	110.5
546	Q	23	Very low	25.2	Very low	177 Å²	177	157.4 Å²	157.4	83%	0.827	83%	0.825	S	S	*	*			trans	-139.1	133.4	164.1	-68.3	-166.4	6.9	0	0	113
547	E	20.9	Very low	25.3	Very low	173 Å²	173	159 Å²	159	81%	0.808	83%	0.831	S	S	*	*			trans	-131.9	167.3	166.8	-111.9	-158.3	-148.6	0	0	106.5
548	P	32.5	Very low	25	Very low	84 Å²	84	154 Å²	154	55%	0.545	82%	0.824	S	S	.	*			cis	-139.7	-178.5	-18.9	33.2	-12.5	0	0	0	114.6
549	Y	22.2	Very low	24.9	Very low	211 Å²	211	156.1 Å²	156.1	83%	0.827	82%	0.819	S	S	*	*			trans	56.1	129.9	160	-60.1	-63.3	0	0	0	122.2
550	K	21.7	Very low	24.7	Very low	207 Å²	207	154.6 Å²	154.6	90%	0.9	82%	0.82	S	S	*	*				-155.5	136.2	124.2	-111.1	173.3	-173.9	178.9	0	110.8
551	E	23.6	Very low	24.4	Very low	186 Å²	186	153.5 Å²	153.5	87%	0.869	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-79.1	146	175.2	-62	179.7	129.9	0	0	111.7
552	P	25.9	Very low	24.5	Very low	128 Å²	128	151.5 Å²	151.5	83%	0.831	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-87.9	136.3	154.8	-1.9	21.7	0	0	0	110.4
553	S	22.9	Very low	24.5	Very low	104 Å²	104	153.3 Å²	153.3	73%	0.727	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-76.2	152.2	-176.8	53.3	0	0	0	0	114.1
554	V	25.2	Very low	24.5	Very low	131 Å²	131	153.4 Å²	153.4	79%	0.794	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-55.5	136.9	165.8	179	0	0	0	0	110.6
555	L	24.6	Very low	24.7	Very low	164 Å²	164	151 Å²	151	86%	0.859	81%	0.809	S	S	*	*			trans	-126.3	131.8	162.2	-74.5	175.4	0	0	0	109.5
556	T	22.5	Very low	24.5	Very low	129 Å²	129	147.9 Å²	147.9	79%	0.791	80%	0.804	S	S	*	*			trans	-90.2	152.3	-179.1	41.7	0	0	0	0	111.6
557	A	27.7	Very low	24.6	Very low	107 Å²	107	147 Å²	147	88%	0.884	81%	0.805	S	S	*	*			trans	-75.4	133.7	177.7	0	0	0	0	0	112.2
558	S	23.7	Very low	24.7	Very low	112 Å²	112	147.1 Å²	147.1	78%	0.783	81%	0.811	S	S	*	*			trans	-156	149.7	157	56.3	0	0	0	0	111
559	H	24.7	Very low	24.4	Very low	169 Å²	169	152.4 Å²	152.4	78%	0.782	83%	0.825	S	S	*	*			trans	-35.7	145.8	-171.9	-62.6	-96	0	0	0	118.8
560	L	24.7	Very low	24.7	Very low	172 Å²	172	148.4 Å²	148.4	90%	0.901	82%	0.818	S	S	*	*				-158.2	115.6	122.4	-111.7	168.6	0	0	0	111.6
561	D	22.8	Very low	24.8	Very low	133 Å²	133	145.5 Å²	145.5	71%	0.711	81%	0.812	S	S	*	*			trans	-78.3	140	166.3	-67.5	-72.7	0	0	0	110.8
562	N	26	Very low	25	Very low	159 Å²	159	140.6 Å²	140.6	85%	0.85	80%	0.798	S	S	*	*				-162.7	154.7	129.7	-123	-52.3	0	0	0	114
563	H	25.7	Very low	25.1	Very low	159 Å²	159	143.3 Å²	143.3	74%	0.736	80%	0.797	S	S	*	*			trans	-77.3	141.4	-178.2	-73.5	-94.5	0	0	0	113.3
564	H	24	Very low	25.4	Very low	197 Å²	197	146.5 Å²	146.5	91%	0.912	80%	0.803	S	S	*	*			trans	-139.1	117.4	139.9	-117.2	55.4	0	0	0	110.9
565	T	26.4	Very low	25.7	Very low	130 Å²	130	146.6 Å²	146.6	80%	0.798	80%	0.804	S	S	*	*			trans	-88	122.8	176	47.7	0	0	0	0	109.9
566	G	24.6	Very low	26.4	Very low	73 Å²	73	146 Å²	146	75%	0.753	80%	0.796	S	S	*	*			trans	-148.2	124.9	173.4	0	0	0	0	0	110.4	L568	G566-L568 PolarHBondContact O-N 2.98Å
567	D	23.8	Very low	28.2	Very low	159 Å²	159	141.7 Å²	141.7	85%	0.85	78%	0.778	S	S	*	*			trans	-25.7	116.9	-167.8	-72.9	-34.3	0	0	0	117.7	K569	D567-K569 PolarHBondContact O-N 3.41Å; D567-K569 VanDerWaalsContact O-N 3.11Å
568	L	24.1	Very low	30.6	Very low	176 Å²	176	142.2 Å²	142.2	92%	0.921	76%	0.76	S	S	*	*			trans	-66.8	100.9	153.8	-77.4	165.9	0	0	0	108.9	G566 D570	G566-L568 PolarHBondContact O-N 2.98Å; L568-D570 PolarHBondContact O-N 3.48Å; L568-D570 VanDerWaalsContact O-N 3.17Å
569	K	25.2	Very low	33.5	Very low	195 Å²	195	137 Å²	137	85%	0.848	72%	0.724	S	S	*	*			trans	-77.3	95.6	156.5	-81.1	-168.3	172.6	-176.5	0	109	D567 D571	D567-K569 PolarHBondContact O-N 3.41Å; D567-K569 VanDerWaalsContact O-N 3.11Å; K569-D571 PolarHBondContact O-N 2.85Å
570	D	27.8	Very low	36.4	Very low	126 Å²	126	130 Å²	130	67%	0.674	69%	0.694	S	S	*	*			trans	-56.6	117.7	165.1	179.5	20.2	0	0	0	110.2	L568 S572	L568-D570 PolarHBondContact O-N 3.48Å; L568-D570 VanDerWaalsContact O-N 3.17Å; D570-S572 WeakPolarHBondContact OD1-CA 3.24Å; D570-S572 WeakPolarHBondContact OD1-CB 3.03Å; D570-S572 PolarHBondContact OD1-N 3.14Å; D570-S572 PolarHBondContact OD1-OG 3.22Å
571	D	25.4	Very low	39.3	Very low	147 Å²	147	125.3 Å²	125.3	79%	0.786	67%	0.672	S	S	*	*			trans	-129.2	35	165.1	-142.6	-20.1	0	0	0	108.9	K569 K573	K569-D571 PolarHBondContact O-N 2.85Å; D571-K573 PolarHBondContact O-N 3.33Å
572	S	27.9	Very low	42.1	Very low	82 Å²	82	119.2 Å²	119.2	57%	0.573	64%	0.639	S	S	*	*			trans	-76.3	67.3	-178.2	68.1	0	0	0	0	112	D570 M574	D570-S572 WeakPolarHBondContact OD1-CA 3.24Å; D570-S572 WeakPolarHBondContact OD1-CB 3.03Å; D570-S572 PolarHBondContact OD1-N 3.14Å; D570-S572 PolarHBondContact OD1-OG 3.22Å; S572-M574 PolarHBondContact O-N 3.07Å
573	K	28.1	Very low	44.6	Very low	185 Å²	185	116.3 Å²	116.3	80%	0.804	63%	0.628	S	S	*	*			trans	-66.6	77.5	156.7	-85.4	-176.5	173.3	173.5	0	110	D571 T575	D571-K573 PolarHBondContact O-N 3.33Å; K573-T575 PolarHBondContact O-N 2.9Å
574	M	27.7	Very low	46.9	Very low	172 Å²	172	111.5 Å²	111.5	85%	0.847	61%	0.607	S	S	*	*			trans	-57.8	101.9	165.4	-79.9	-159.5	172.5	0	0	109.2	S572 E576	S572-M574 PolarHBondContact O-N 3.07Å; M574-E576 PolarHBondContact O-N 2.91Å
575	T	31.3	Very low	49.1	Very low	132 Å²	132	108.4 Å²	108.4	81%	0.81	59%	0.588	S	S	*	*			trans	-76.1	109.5	165.2	50.6	0	0	0	0	108.4	K573 G577	K573-T575 PolarHBondContact O-N 2.9Å; T575-G577 PolarHBondContact O-N 3.45Å; T575-G577 VanDerWaalsContact O-N 3.15Å
576	E	41.1	Very low	51.3	Low	151 Å²	151	105.3 Å²	105.3	71%	0.706	57%	0.568	S	S	*	*			trans	-49.7	113.5	-172.5	-55.7	164.6	129.6	0	0	113.6	M574 K578	M574-E576 PolarHBondContact O-N 2.91Å; E576-K578 VanDerWaalsContact C-N 3.25Å; E576-K578 WeakPolarHBondContact O-CD 3.49Å; E576-K578 VanDerWaalsContact O-CG 3.26Å; E576-K578 WeakPolarHBondContact O-CG 3.2Å; E576-K578 PolarHBondContact O-N 3.35Å
577	G	60.1	Low	53.8	Low	40 Å²	40	104.9 Å²	104.9	41%	0.412	56%	0.558	S	S	.	*	S	Bend	trans	59.8	-4.7	147.1	0	0	0	0	0	121.1	S367 L368 T575	S367-G577 CarbonylContact C-O 3.6Å; S367-G577 WeakPolarHBondContact CA-O 3.04Å; S367-G577 WeakPolarHBondContact CB-O 3.38Å; L368-G577 PolarHBondContact N-O 2.92Å; T575-G577 PolarHBondContact O-N 3.45Å; T575-G577 VanDerWaalsContact O-N 3.15Å
578	K	78.1	Confident	56.6	Low	117 Å²	117	97.9 Å²	97.9	51%	0.509	52%	0.52	S	S	.	.	B	Isolated β-bridge	trans	-92.6	128.7	-166.9	-68.5	153.6	-174.3	159.7	0	113.2	Q365 E576	Q365-K578 HydrophobicContact CB-CB 4.08Å; Q365-K578 HydrophobicContact CB-CD 4.45Å; Q365-K578 HydrophobicContact CB-CG 4.14Å; Q365-K578 HydrophobicContact CG-CB 3.98Å; Q365-K578 WeakPolarHBondContact O-CG 3.4Å; E576-K578 VanDerWaalsContact C-N 3.25Å; E576-K578 WeakPolarHBondContact O-CD 3.49Å; E576-K578 VanDerWaalsContact O-CG 3.26Å; E576-K578 WeakPolarHBondContact O-CG 3.2Å; E576-K578 PolarHBondContact O-N 3.35Å
579	L	84.9	Confident	59.2	Low	3 Å²	3	94.4 Å²	94.4	2%	0.016	50%	0.502	C	S	.	.	P	Polyproline II helix	trans	-67.3	130.1	178.2	-66.2	166.7	0	0	0	111.4	Q365 P366 L368 L378 D592 L594 Y645	Q365-L579 WeakPolarHBondContact CG-O 3.42Å; Q365-L579 PolarHBondContact NE2-O 3.2Å; P366-L579 HydrophobicContact CB-CD1 4.38Å; P366-L579 HydrophobicContact CG-CD1 4.5Å; P366-L579 WeakPolarHBondContact O-CB 3.4Å; P366-L579 WeakPolarHBondContact O-CD1 3.09Å; P366-L579 WeakPolarHBondContact O-CG 3.33Å; P366-L579 PolarHBondContact O-N 2.81Å; L368-L579 HydrophobicContact CD2-CD2 3.85Å; L368-L579 HydrophobicContact CG-CD2 4.33Å; L378-L579 HydrophobicContact CD1-CD1 3.65Å; L378-L579 HydrophobicContact CD2-CD1 3.92Å; L378-L579 HydrophobicContact CG-CD1 4.41Å; L579-D592 HydrophobicContact CD2-CB 3.65Å; L579-D592 WeakPolarHBondContact CD2-O 3.45Å; L579-L594 HydrophobicContact CB-CG 4.5Å; L579-Y645 HydrophobicContact CD1-CD2 4.16Å; L579-Y645 HydrophobicContact CD2-CD2 4.32Å; L579-Y645 HydrophobicContact CD2-CE2 4.1Å
580	S	85.3	Confident	62.2	Low	21 Å²	21	86.7 Å²	86.7	15%	0.147	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	153.8	177.4	86.1	0	0	0	0	112.2	N589 S590 L593 L594	S580-N589 PolarHBondContact OG-ND2 2.79Å; S580-N589 VanDerWaalsContact OG-ND2 3.15Å; S580-N589 PolarHBondContact OG-OD1 3.26Å; S580-S590 PolarHBondContact OG-OG 3.31Å; S580-L593 WeakPolarHBondContact O-CA 3.48Å; S580-L593 WeakPolarHBondContact O-CB 3.38Å; S580-L594 PolarHBondContact O-N 3.01Å
581	V	85.7	Confident	65.3	Low	75 Å²	75	83.3 Å²	83.3	46%	0.455	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	122.7	171.7	-179.1	0	0	0	0	109.5	L594 P596	V581-L594 HydrophobicContact CG2-CB 4.21Å; V581-L594 HydrophobicContact CG2-CD1 4.28Å; V581-P596 HydrophobicContact CG1-CG 4.4Å
582	H	80.2	Confident	68.5	Low	4 Å²	4	78 Å²	78	2%	0.019	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-75.1	131.5	-175.5	-178.2	63.4	0	0	0	113.1	Y525 N584 T586 A587 F588 L593 L594 V595 P596	Y525-H582 AromaticContact CE1-NE2 3.49Å; Y525-H582 WeakPolarHBondContact CE1-NE2 3.35Å; Y525-H582 AromaticContact CZ-NE2 3.73Å; Y525-H582 PolarHBondContact OH-CD2 3.29Å; Y525-H582 PolarHBondContact OH-NE2 3.47Å; Y525-H582 VanDerWaalsContact OH-NE2 3.07Å; H582-N584 PolarHBondContact O-N 2.79Å; H582-T586 PolarHBondContact CE1-O 3.17Å; H582-T586 PolarHBondContact CE1-OG1 3.32Å; H582-A587 PolarHBondContact CE1-O 2.98Å; H582-F588 AromaticContact CD2-CE1 3.88Å; H582-F588 AromaticContact CE1-CD1 3.46Å; H582-F588 VanDerWaalsContact CE1-CD1 3.46Å; H582-F588 WeakPolarHBondContact CE1-CD1 3.38Å; H582-F588 AromaticContact CE1-CE1 3.49Å; H582-F588 VanDerWaalsContact CE1-CE1 3.49Å; H582-F588 WeakPolarHBondContact CE1-CE1 3.48Å; H582-F588 AromaticContact CG-CE1 3.87Å; H582-F588 AromaticContact ND1-CD1 3.39Å; H582-F588 WeakPolarHBondContact ND1-CD1 3.22Å; H582-F588 AromaticContact ND1-CE1 3.64Å; H582-F588 AromaticContact NE2-CE1 3.66Å; H582-L593 HydrophobicContact CB-CD1 3.7Å; H582-L593 HydrophobicContact CB-CG 4.25Å; H582-L594 PolarHBondContact N-O 2.85Å; H582-V595 HydrophobicContact CB-CG2 4.31Å; H582-P596 WeakPolarHBondContact O-CD 3.45Å; H582-P596 VanDerWaalsContact O-CG 3.22Å; H582-P596 WeakPolarHBondContact O-CG 3.46Å
583	T	79.1	Confident	71.6	Confident	99 Å²	99	74.1 Å²	74.1	61%	0.607	40%	0.398	S	S	*	.			trans	-80	99.9	170.2	-62	0	0	0	0	110.3	R585 T586	T583-R585 PolarHBondContact O-N 3.18Å; T583-T586 HydrophobicContact CG2-CG2 3.83Å; T583-T586 WeakPolarHBondContact O-CG2 3.45Å; T583-T586 PolarHBondContact O-N 3.22Å; T583-T586 PolarHBondContact O-OG1 2.86Å
584	N	73.3	Confident	74.7	Confident	57 Å²	57	65.5 Å²	65.5	31%	0.305	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-40.2	123.4	-176.5	-95.9	-47.9	0	0	0	114.7	Y525 H582 P596	Y525-N584 WeakPolarHBondContact OH-CA 3.5Å; Y525-N584 PolarHBondContact OH-OD1 3.33Å; H582-N584 PolarHBondContact O-N 2.79Å; N584-P596 PolarHBondContact ND2-O 2.94Å
585	R	72	Confident	77.6	Confident	133 Å²	133	57.3 Å²	57.3	50%	0.502	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	19	179.6	-46.8	-169.2	-179.5	-178.5	-4.2	115.9	Y525 K527 T583	Y525-R585 WeakPolarHBondContact O-CB 3.45Å; Y525-R585 WeakPolarHBondContact O-CD 3.19Å; Y525-R585 WeakPolarHBondContact O-CG 3.49Å; Y525-R585 PolarHBondContact OH-N 3Å; K527-R585 HydrophobicContact CD-CB 4.38Å; K527-R585 HydrophobicContact CG-CB 4Å; K527-R585 PolarHBondContact N-O 3.06Å; T583-R585 PolarHBondContact O-N 3.18Å
586	T	72.8	Confident	80.3	Confident	64 Å²	64	51.6 Å²	51.6	39%	0.393	29%	0.285	S	S	.	.	S	Bend	trans	-94.2	177.3	160.2	68.2	0	0	0	0	110.7	L526 H582 T583	L526-T586 VanDerWaalsContact CD2-O 3.26Å; L526-T586 WeakPolarHBondContact CD2-O 3.34Å; H582-T586 PolarHBondContact CE1-O 3.17Å; H582-T586 PolarHBondContact CE1-OG1 3.32Å; T583-T586 HydrophobicContact CG2-CG2 3.83Å; T583-T586 WeakPolarHBondContact O-CG2 3.45Å; T583-T586 PolarHBondContact O-N 3.22Å; T583-T586 PolarHBondContact O-OG1 2.86Å
587	A	76.4	Confident	82.3	Confident	64 Å²	64	46.1 Å²	46.1	53%	0.529	26%	0.258	S	S	.	.			trans	-63.8	160.7	163.3	0	0	0	0	0	111.1	H582	H582-A587 PolarHBondContact CE1-O 2.98Å
588	F	81.5	Confident	83.3	Confident	13 Å²	13	48.4 Å²	48.4	6%	0.057	26%	0.257	C	S	.	.			trans	-80.5	152.8	170.2	-60.5	-54.9	0	0	0	110.9	W512 A513 Y514 Q516 Y525 H582 L593 V648	W512-F588 HydrophobicContact CE3-CE2 4.38Å; W512-F588 AromaticContact CE3-CZ 3.71Å; W512-F588 HydrophobicContact CE3-CZ 3.71Å; W512-F588 HydrophobicContact CZ3-CE1 4.49Å; W512-F588 AromaticContact CZ3-CZ 3.86Å; W512-F588 HydrophobicContact CZ3-CZ 3.86Å; A513-F588 WeakPolarHBondContact O-CD2 3.37Å; A513-F588 WeakPolarHBondContact O-CE2 3.32Å; Y514-F588 HydrophobicContact CD2-CB 3.67Å; Y514-F588 HydrophobicContact CE2-CB 3.71Å; Q516-F588 HydrophobicContact CG-CD2 3.75Å; Q516-F588 HydrophobicContact CG-CE2 3.52Å; Q516-F588 HydrophobicContact CG-CZ 4.39Å; Y525-F588 HydrophobicContact CE1-CE1 4.4Å; Y525-F588 HydrophobicContact CE1-CZ 4.18Å; H582-F588 AromaticContact CD2-CE1 3.88Å; H582-F588 AromaticContact CE1-CD1 3.46Å; H582-F588 VanDerWaalsContact CE1-CD1 3.46Å; H582-F588 WeakPolarHBondContact CE1-CD1 3.38Å; H582-F588 AromaticContact CE1-CE1 3.49Å; H582-F588 VanDerWaalsContact CE1-CE1 3.49Å; H582-F588 WeakPolarHBondContact CE1-CE1 3.48Å; H582-F588 AromaticContact CG-CE1 3.87Å; H582-F588 AromaticContact ND1-CD1 3.39Å; H582-F588 WeakPolarHBondContact ND1-CD1 3.22Å; H582-F588 AromaticContact ND1-CE1 3.64Å; H582-F588 AromaticContact NE2-CE1 3.66Å; F588-L593 HydrophobicContact CD1-CD1 3.64Å; F588-L593 HydrophobicContact CE1-CD1 4.27Å; F588-L593 HydrophobicContact CG-CD1 4.46Å; F588-V648 HydrophobicContact CB-CG2 4.2Å; F588-V648 HydrophobicContact CD2-CB 4.25Å; F588-V648 HydrophobicContact CD2-CG1 4.17Å; F588-V648 HydrophobicContact CD2-CG2 3.91Å; F588-V648 HydrophobicContact CE1-CG1 4.48Å; F588-V648 HydrophobicContact CE2-CB 4.37Å; F588-V648 HydrophobicContact CE2-CG1 3.9Å; F588-V648 HydrophobicContact CE2-CG2 4.47Å; F588-V648 HydrophobicContact CG-CG2 3.99Å; F588-V648 HydrophobicContact CZ-CG1 4.08Å
589	N	80.3	Confident	82.9	Confident	103 Å²	103	44.8 Å²	44.8	55%	0.551	24%	0.244	S	C	*	.	S	Bend	trans	-124.9	-7.7	-173.6	63.7	-26.5	0	0	0	112.7	S580	S580-N589 PolarHBondContact OG-ND2 2.79Å; S580-N589 VanDerWaalsContact OG-ND2 3.15Å; S580-N589 PolarHBondContact OG-OD1 3.26Å
590	S	88.4	Confident	81.5	Confident	33 Å²	33	52.3 Å²	52.3	23%	0.231	28%	0.276	C	S	.	.			trans	-159.4	149	-177.4	40.7	0	0	0	0	107.1	S580	S580-S590 PolarHBondContact OG-OG 3.31Å
591	Q	91.6	Very high	79.3	Confident	55 Å²	55	54.3 Å²	54.3	26%	0.257	30%	0.3	S	S	.	.	S	Bend	trans	-72.5	-41.3	173.9	-70.8	173.8	-101.3	0	0	110.8	Y514 L593 H647 V648 Q650 E653	Y514-Q591 HydrophobicContact CD2-CG 4.31Å; Q591-L593 WeakPolarHBondContact O-CD2 3.33Å; Q591-H647 PolarHBondContact NE2-NE2 2.81Å; Q591-H647 CarbonylContact O-C 3.59Å; Q591-H647 WeakPolarHBondContact O-CA 3.44Å; Q591-V648 WeakPolarHBondContact CG-O 3.49Å; Q591-V648 WeakPolarHBondContact O-CG2 3.35Å; Q591-V648 PolarHBondContact O-N 2.93Å; Q591-Q650 HydrophobicContact CG-CG 4.23Å; Q591-E653 PolarHBondContact NE2-OE2 2.9Å
592	D	93.6	Very high	76.7	Confident	36 Å²	36	61.8 Å²	61.8	19%	0.193	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	109.8	-179.7	-65.6	-79	0	0	0	111.5	L368 L579 Y645 Y646 H647	L368-D592 HydrophobicContact CD2-CB 3.5Å; L579-D592 HydrophobicContact CD2-CB 3.65Å; L579-D592 WeakPolarHBondContact CD2-O 3.45Å; D592-Y645 HydrophobicContact CB-CE2 4.21Å; D592-Y645 PolarHBondContact OD1-OH 3.32Å; D592-Y646 WeakPolarHBondContact CA-O 3.44Å; D592-H647 IonicContact OD1-CE1 3.37Å; D592-H647 IonicContact OD1-CG 2.72Å; D592-H647 IonicContact OD1-ND1 2.71Å; D592-H647 PolarHBondContact OD1-ND1 3.48Å; D592-H647 IonicContact OD2-CE1 2.75Å; D592-H647 PolarHBondContact OD2-CE1 3.19Å; D592-H647 VanDerWaalsContact OD2-CE1 3.28Å; D592-H647 IonicContact OD2-ND1 3.62Å; D592-H647 PolarHBondContact OD2-ND1 2.9Å; D592-H647 VanDerWaalsContact OD2-ND1 3.15Å
593	L	92.7	Very high	74.1	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	162.7	-172.9	79.7	-179.6	0	0	0	114.8	S580 H582 F588 Q591 V595 Y646 V648	S580-L593 WeakPolarHBondContact O-CA 3.48Å; S580-L593 WeakPolarHBondContact O-CB 3.38Å; H582-L593 HydrophobicContact CB-CD1 3.7Å; H582-L593 HydrophobicContact CB-CG 4.25Å; F588-L593 HydrophobicContact CD1-CD1 3.64Å; F588-L593 HydrophobicContact CE1-CD1 4.27Å; F588-L593 HydrophobicContact CG-CD1 4.46Å; Q591-L593 WeakPolarHBondContact O-CD2 3.33Å; L593-V595 HydrophobicContact CD2-CG2 4.44Å; L593-V595 HydrophobicContact CG-CG2 4.33Å; L593-Y646 PolarHBondContact N-O 3.04Å; L593-Y646 PolarHBondContact O-N 3.26Å; L593-V648 HydrophobicContact CD2-CG1 4.17Å; L593-V648 HydrophobicContact CD2-CG2 4.16Å
594	L	92.3	Very high	71.6	Confident	4 Å²	4	71.8 Å²	71.8	2%	0.021	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	116.1	176.5	-69.7	-176.3	0	0	0	111.6	P366 Y382 L579 S580 V581 H582 P596 H643 R644	P366-L594 HydrophobicContact CG-CD1 3.65Å; Y382-L594 HydrophobicContact CD1-CD1 4.1Å; Y382-L594 HydrophobicContact CD1-CD2 3.44Å; Y382-L594 VanDerWaalsContact CD1-CD2 3.44Å; Y382-L594 HydrophobicContact CD1-CG 4.43Å; Y382-L594 HydrophobicContact CE1-CD1 3.87Å; Y382-L594 HydrophobicContact CE1-CD2 4.07Å; Y382-L594 HydrophobicContact CG-CD2 3.84Å; L579-L594 HydrophobicContact CB-CG 4.5Å; S580-L594 PolarHBondContact O-N 3.01Å; V581-L594 HydrophobicContact CG2-CB 4.21Å; V581-L594 HydrophobicContact CG2-CD1 4.28Å; H582-L594 PolarHBondContact N-O 2.85Å; L594-P596 WeakPolarHBondContact O-CD 3.41Å; L594-H643 HydrophobicContact CB-CB 4.17Å; L594-H643 HydrophobicContact CD1-CB 4.05Å; L594-H643 HydrophobicContact CD2-CB 4.35Å; L594-H643 HydrophobicContact CG-CB 4.43Å; L594-R644 CarbonylContact C-O 3.57Å; L594-R644 WeakPolarHBondContact CA-O 3.47Å
595	V	89.2	Confident	69.3	Low	0 Å²	0	75.9 Å²	75.9	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	107.3	-179.4	-177.5	0	0	0	0	111.1	W512 H582 L593 W597 R644 Y646	W512-V595 HydrophobicContact CH2-CG1 4.36Å; W512-V595 HydrophobicContact CZ3-CG1 4.13Å; W512-V595 HydrophobicContact CZ3-CG2 4.36Å; H582-V595 HydrophobicContact CB-CG2 4.31Å; L593-V595 HydrophobicContact CD2-CG2 4.44Å; L593-V595 HydrophobicContact CG-CG2 4.33Å; V595-W597 PolarHBondContact O-N 3.23Å; V595-R644 PolarHBondContact N-O 3.28Å; V595-R644 PolarHBondContact O-N 3.27Å; V595-Y646 HydrophobicContact CB-CD2 3.66Å; V595-Y646 HydrophobicContact CB-CE2 3.87Å; V595-Y646 HydrophobicContact CB-CG 4.42Å; V595-Y646 HydrophobicContact CG1-CE2 4.41Å; V595-Y646 HydrophobicContact CG2-CD1 4.47Å; V595-Y646 HydrophobicContact CG2-CD2 3.44Å; V595-Y646 VanDerWaalsContact CG2-CD2 3.44Å; V595-Y646 HydrophobicContact CG2-CE2 4.05Å; V595-Y646 HydrophobicContact CG2-CG 3.72Å
596	P	87.8	Confident	67.2	Low	11 Å²	11	72.8 Å²	72.8	7%	0.071	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	127.5	-172.1	25.4	-31.8	0	0	0	113.5	V581 H582 N584 L594 H598 V641 F642	V581-P596 HydrophobicContact CG1-CG 4.4Å; H582-P596 WeakPolarHBondContact O-CD 3.45Å; H582-P596 VanDerWaalsContact O-CG 3.22Å; H582-P596 WeakPolarHBondContact O-CG 3.46Å; N584-P596 PolarHBondContact ND2-O 2.94Å; L594-P596 WeakPolarHBondContact O-CD 3.41Å; P596-H598 PolarHBondContact O-ND1 3.48Å; P596-V641 HydrophobicContact CB-CG1 3.56Å; P596-F642 CarbonylContact C-O 3.34Å
597	W	82.6	Confident	65.1	Low	36 Å²	36	78.1 Å²	78.1	14%	0.136	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	121.6	-179.8	-179.5	-102.5	0	0	0	111.5	I390 H393 R398 V595 V641 F642	I390-W597 VanDerWaalsContact CD1-CD1 3.49Å; I390-W597 HydrophobicContact CD1-CD2 4.19Å; I390-W597 HydrophobicContact CD1-CG 3.85Å; H393-W597 AromaticContact CE1-CE2 3.92Å; H393-W597 AromaticContact CE1-CZ2 3.57Å; H393-W597 AromaticContact ND1-CE2 3.42Å; H393-W597 AromaticContact ND1-CZ2 3.18Å; H393-W597 WeakPolarHBondContact ND1-CZ2 3.43Å; H393-W597 AromaticContact ND1-NE1 3.29Å; H393-W597 PolarHBondContact ND1-NE1 2.9Å; R398-W597 VanDerWaalsContact NH1-CZ3 3.3Å; V595-W597 PolarHBondContact O-N 3.23Å; W597-V641 WeakPolarHBondContact O-CA 3.4Å; W597-F642 HydrophobicContact CB-CB 4.5Å; W597-F642 PolarHBondContact N-O 2.92Å; W597-F642 PolarHBondContact O-N 2.99Å
598	H	81.5	Confident	62.7	Low	88 Å²	88	84.6 Å²	84.6	41%	0.407	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	116	-174.6	-61.3	55.3	0	0	0	110.1	H393 P596 K600 V639	H393-H598 PolarHBondContact CE1-O 2.78Å; H393-H598 VanDerWaalsContact CE1-O 3.24Å; P596-H598 PolarHBondContact O-ND1 3.48Å; H598-K600 PolarHBondContact O-N 2.87Å; H598-V639 HydrophobicContact CB-CG1 3.92Å
599	L	70.4	Confident	60.1	Low	42 Å²	42	93.4 Å²	93.4	22%	0.22	49%	0.486	C	S	.	.			trans	-69.3	86.2	172.9	-62.6	-172	0	0	0	112.3	I390 H393 G601 V639 P640 F642	I390-L599 HydrophobicContact CB-CD2 4.16Å; I390-L599 HydrophobicContact CG2-CD2 4.08Å; H393-L599 HydrophobicContact CB-CD2 3.47Å; H393-L599 VanDerWaalsContact CB-CD2 3.47Å; L599-G601 PolarHBondContact O-N 3.22Å; L599-V639 VanDerWaalsContact C-CG1 3.45Å; L599-V639 HydrophobicContact CB-CG1 4.13Å; L599-V639 WeakPolarHBondContact O-CG1 3.21Å; L599-V639 VanDerWaalsContact O-CG2 3.24Å; L599-V639 WeakPolarHBondContact O-CG2 3.47Å; L599-P640 HydrophobicContact CD1-CB 4.39Å; L599-P640 HydrophobicContact CD1-CG 4.38Å; L599-P640 PolarHBondContact N-O 2.74Å; L599-F642 HydrophobicContact CD1-CE2 3.66Å; L599-F642 HydrophobicContact CD1-CZ 4.47Å; L599-F642 HydrophobicContact CD2-CE2 4.47Å; L599-F642 HydrophobicContact CG-CD2 4.31Å; L599-F642 HydrophobicContact CG-CE2 3.9Å
600	K	54.1	Low	57.4	Low	160 Å²	160	94.4 Å²	94.4	70%	0.696	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-63.9	127.3	178.2	-71.8	-172.8	176.3	-175.5	0	110.8	H393 H598	H393-K600 PolarHBondContact NE2-N 2.98Å; H598-K600 PolarHBondContact O-N 2.87Å
601	G	40.5	Very low	54.4	Low	63 Å²	63	98.8 Å²	98.8	65%	0.649	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-56.4	144.2	170.1	0	0	0	0	0	111.4	L599 K603	L599-G601 PolarHBondContact O-N 3.22Å; G601-K603 PolarHBondContact O-N 2.92Å
602	R	30.8	Very low	51.2	Low	232 Å²	232	102.3 Å²	102.3	88%	0.875	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-56.1	123.5	176.1	-78	180	171	166.6	-2.2	109.8
603	K	25.8	Very low	47.9	Very low	185 Å²	185	104.4 Å²	104.4	80%	0.804	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-61.1	141	159.8	-82.3	-163.9	167.4	-156.9	0	109.1	G601	G601-K603 PolarHBondContact O-N 2.92Å
604	T	25.4	Very low	44.6	Very low	129 Å²	129	111.5 Å²	111.5	79%	0.791	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-67	135	166.2	33.6	0	0	0	0	110	G606	T604-G606 PolarHBondContact O-N 3.2Å
605	P	26.3	Very low	41.5	Very low	142 Å²	142	118.5 Å²	118.5	92%	0.922	66%	0.662	S	S	*	*	S	Bend	trans	-76.9	89.1	175.2	30.6	-33.1	0	0	0	109.9
606	G	27.6	Very low	38.3	Very low	68 Å²	68	123.8 Å²	123.8	70%	0.701	70%	0.695	S	S	*	*			trans	-143.1	-5.3	-179.5	0	0	0	0	0	116	T604	T604-G606 PolarHBondContact O-N 3.2Å
607	E	28.6	Very low	35.2	Very low	177 Å²	177	128.6 Å²	128.6	83%	0.827	72%	0.724	S	S	*	*			trans	-137.9	76.7	-174.2	-66	-179.2	152.9	0	0	111.7
608	E	26	Very low	32.3	Very low	199 Å²	199	134.2 Å²	134.2	93%	0.93	76%	0.757	S	S	*	*			trans	-138.5	138.9	149.8	-75.3	-163.8	157.2	0	0	108.7
609	E	26	Very low	29.5	Very low	198 Å²	198	135.5 Å²	135.5	93%	0.925	78%	0.776	S	S	*	*			trans	-80.8	167.3	-174.8	-67.2	-173.9	115	0	0	112.9	S611	E609-S611 PolarHBondContact O-N 2.84Å
610	S	24.1	Very low	27.6	Very low	125 Å²	125	138.4 Å²	138.4	87%	0.874	80%	0.797	S	S	*	*			trans	-73.7	121.6	-174.8	55.6	0	0	0	0	114
611	S	25.6	Very low	26.1	Very low	125 Å²	125	138 Å²	138	87%	0.874	80%	0.802	S	S	*	*			trans	-141.5	151.3	142.1	71.2	0	0	0	0	110.7	E609	E609-S611 PolarHBondContact O-N 2.84Å
612	S	25	Very low	25.3	Very low	128 Å²	128	139.5 Å²	139.5	90%	0.895	80%	0.803	S	S	*	*			trans	-117.9	134.5	-163	57	0	0	0	0	113.9
613	G	23.9	Very low	25	Very low	81 Å²	81	137 Å²	137	84%	0.835	80%	0.798	S	S	*	*			trans	-137.7	155.2	167.3	0	0	0	0	0	111
614	L	23.6	Very low	24.8	Very low	149 Å²	149	134.9 Å²	134.9	78%	0.78	80%	0.796	S	S	*	*			trans	-132	165.5	-166.1	-170.2	60.2	0	0	0	112.5
615	H	25.8	Very low	24.8	Very low	150 Å²	150	133.4 Å²	133.4	69%	0.694	79%	0.791	S	S	*	*			trans	84.7	126.6	178.2	-57.7	-72.8	0	0	0	114.8
616	T	22.7	Very low	24.8	Very low	111 Å²	111	132.9 Å²	132.9	68%	0.681	79%	0.787	S	S	*	*			cis	74.1	129.5	39.2	77.6	0	0	0	0	112.5
617	T	22.3	Very low	24.8	Very low	113 Å²	113	135 Å²	135	69%	0.693	79%	0.791	S	S	*	*			cis	-156.7	161.6	30.6	41.6	0	0	0	0	115.6
618	N	23	Very low	24.5	Very low	154 Å²	154	133.2 Å²	133.2	82%	0.824	79%	0.792	S	S	*	*			trans	81.8	150.9	144.2	-67.2	-3.5	0	0	0	123.9
619	S	21	Very low	24.5	Very low	115 Å²	115	130.2 Å²	130.2	80%	0.804	78%	0.782	S	S	*	*			trans	-111.5	-159.9	-177.1	-24.9	0	0	0	0	110
620	P	31.6	Very low	24.4	Very low	102 Å²	102	126.8 Å²	126.8	66%	0.662	78%	0.775	S	S	*	*			cis	-139.3	-178.7	11.8	45.3	-26.7	0	0	0	117.8
621	D	23.1	Very low	24.4	Very low	151 Å²	151	125.2 Å²	125.2	81%	0.807	76%	0.764	S	S	*	*			trans	58.5	144.1	154.4	-62.6	-35.1	0	0	0	120.3
622	S	23	Very low	24.4	Very low	95 Å²	95	128 Å²	128	66%	0.664	76%	0.763	S	S	*	*			cis	-167	-172	-13.2	60.1	0	0	0	0	108.1
623	K	23.6	Very low	24.4	Very low	179 Å²	179	127.4 Å²	127.4	78%	0.778	75%	0.754	S	S	*	*			cis	-166.3	171.4	9.2	-136.5	164.2	-173.6	171.6	0	110.2
624	L	22.6	Very low	24.6	Very low	142 Å²	142	129.2 Å²	129.2	74%	0.743	75%	0.751	S	S	*	*			trans	43.2	107	162.3	-92.1	74.7	0	0	0	122.2
625	S	25.1	Very low	24.7	Very low	98 Å²	98	125.2 Å²	125.2	69%	0.685	75%	0.746	S	S	*	*				33.3	139.4	114.7	65.1	0	0	0	0	121.1
626	P	27.4	Very low	24.7	Very low	131 Å²	131	121 Å²	121	85%	0.851	74%	0.743	S	S	*	*				-132.2	-178.2	55.6	39.3	-24.6	0	0	0	116.6
627	S	26	Very low	25.2	Very low	113 Å²	113	118.7 Å²	118.7	79%	0.79	73%	0.731	S	S	*	*			trans	-97	140.9	-166.4	52.4	0	0	0	0	115.1
628	V	23.9	Very low	25.7	Very low	139 Å²	139	116.2 Å²	116.2	84%	0.842	72%	0.718	S	S	*	*			trans	-131.6	143.4	159.6	179.6	0	0	0	0	108.4
629	D	25.3	Very low	26.7	Very low	136 Å²	136	111.7 Å²	111.7	73%	0.727	70%	0.697	S	S	*	*			trans	-75.1	143	-173.9	-158.5	-25.7	0	0	0	112.1	S631	D629-S631 PolarHBondContact OD1-OG 3.39Å
630	T	22.9	Very low	28.8	Very low	125 Å²	125	108.9 Å²	108.9	77%	0.767	68%	0.675	S	S	*	*			trans	-152.5	95.5	172.7	15.3	0	0	0	0	110.6
631	S	24.1	Very low	31	Very low	93 Å²	93	106.9 Å²	106.9	65%	0.65	66%	0.661	S	S	*	*			trans	-127.4	91.5	177.5	45.9	0	0	0	0	112.1	D629	D629-S631 PolarHBondContact OD1-OG 3.39Å
632	Q	26	Very low	34.1	Very low	183 Å²	183	102.2 Å²	102.2	86%	0.855	63%	0.634	S	S	*	*			trans	-173.6	128.6	151.4	-108.3	165.1	80.1	0	0	111.7
633	V	24.7	Very low	37.3	Very low	115 Å²	115	100.8 Å²	100.8	70%	0.697	62%	0.616	S	S	*	*			trans	-137.8	97.6	168.4	179.8	0	0	0	0	108.5
634	P	29.2	Very low	40.6	Very low	119 Å²	119	92.4 Å²	92.4	77%	0.773	58%	0.58	S	S	*	*			trans	-78.9	151.8	179.3	31.9	-34.4	0	0	0	111.8
635	G	24.6	Very low	44.2	Very low	66 Å²	66	85.7 Å²	85.7	68%	0.68	55%	0.545	S	S	*	.			trans	-130.3	130.9	178.7	0	0	0	0	0	113.6
636	G	26.4	Very low	47.5	Very low	60 Å²	60	81.2 Å²	81.2	62%	0.619	51%	0.513	S	S	*	.			trans	100.3	4.2	152.3	0	0	0	0	0	119.1
637	S	32.6	Very low	50.9	Low	64 Å²	64	75.3 Å²	75.3	45%	0.448	47%	0.474	S	S	.	.			trans	-63.6	162.9	176.1	59.9	0	0	0	0	113.4	V639	S637-V639 PolarHBondContact O-N 2.89Å
638	S	32.8	Very low	54.2	Low	60 Å²	60	69.9 Å²	69.9	42%	0.42	44%	0.436	S	S	.	.	S	Bend	trans	-55.3	113	160.4	52.7	0	0	0	0	108.1	P640	S638-P640 WeakPolarHBondContact O-CD 3.49Å; S638-P640 VanDerWaalsContact O-N 3.14Å
639	V	45.1	Very low	57.6	Low	60 Å²	60	63.3 Å²	63.3	36%	0.364	40%	0.396	S	S	.	.			trans	-42.9	114.3	-169.5	169.1	0	0	0	0	112	H598 L599 S637 V641	H598-V639 HydrophobicContact CB-CG1 3.92Å; L599-V639 VanDerWaalsContact C-CG1 3.45Å; L599-V639 HydrophobicContact CB-CG1 4.13Å; L599-V639 WeakPolarHBondContact O-CG1 3.21Å; L599-V639 VanDerWaalsContact O-CG2 3.24Å; L599-V639 WeakPolarHBondContact O-CG2 3.47Å; S637-V639 PolarHBondContact O-N 2.89Å; V639-V641 PolarHBondContact O-N 3.49Å
640	P	64.6	Low	61	Low	55 Å²	55	60.7 Å²	60.7	36%	0.357	38%	0.379	S	S	.	.			trans	-59.2	129	173.5	-25	35	0	0	0	110.3	L599 S638 F642	L599-P640 HydrophobicContact CD1-CB 4.39Å; L599-P640 HydrophobicContact CD1-CG 4.38Å; L599-P640 PolarHBondContact N-O 2.74Å; S638-P640 WeakPolarHBondContact O-CD 3.49Å; S638-P640 VanDerWaalsContact O-N 3.14Å; P640-F642 HydrophobicContact CB-CD2 4.38Å; P640-F642 HydrophobicContact CB-CE2 3.73Å; P640-F642 HydrophobicContact CB-CZ 4.28Å
641	V	77.6	Confident	64.3	Low	60 Å²	60	60.1 Å²	60.1	36%	0.364	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	108	178	-177.3	0	0	0	0	108.4	P596 W597 V639	P596-V641 HydrophobicContact CB-CG1 3.56Å; W597-V641 WeakPolarHBondContact O-CA 3.4Å; V639-V641 PolarHBondContact O-N 3.49Å
642	F	87.7	Confident	67.7	Low	53 Å²	53	57 Å²	57	23%	0.232	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	128	178.1	-63.5	-99.5	0	0	0	110	V386 A389 I390 P596 W597 L599 P640	V386-F642 HydrophobicContact CG1-CB 3.55Å; V386-F642 HydrophobicContact CG1-CD1 4.17Å; V386-F642 HydrophobicContact CG1-CG 4.11Å; V386-F642 HydrophobicContact CG2-CB 4.29Å; V386-F642 HydrophobicContact CG2-CD1 4.29Å; A389-F642 HydrophobicContact CB-CD1 4.37Å; A389-F642 HydrophobicContact CB-CE1 3.57Å; A389-F642 HydrophobicContact CB-CZ 3.91Å; I390-F642 HydrophobicContact CG2-CB 4.23Å; I390-F642 HydrophobicContact CG2-CD1 4.17Å; I390-F642 HydrophobicContact CG2-CD2 3.48Å; I390-F642 VanDerWaalsContact CG2-CD2 3.48Å; I390-F642 HydrophobicContact CG2-CE1 4.41Å; I390-F642 HydrophobicContact CG2-CE2 3.76Å; I390-F642 HydrophobicContact CG2-CG 3.7Å; I390-F642 HydrophobicContact CG2-CZ 4.22Å; P596-F642 CarbonylContact C-O 3.34Å; W597-F642 HydrophobicContact CB-CB 4.5Å; W597-F642 PolarHBondContact N-O 2.92Å; W597-F642 PolarHBondContact O-N 2.99Å; L599-F642 HydrophobicContact CD1-CE2 3.66Å; L599-F642 HydrophobicContact CD1-CZ 4.47Å; L599-F642 HydrophobicContact CD2-CE2 4.47Å; L599-F642 HydrophobicContact CG-CD2 4.31Å; L599-F642 HydrophobicContact CG-CE2 3.9Å; P640-F642 HydrophobicContact CB-CD2 4.38Å; P640-F642 HydrophobicContact CB-CE2 3.73Å; P640-F642 HydrophobicContact CB-CZ 4.28Å
643	H	90.5	Very high	71.1	Confident	65 Å²	65	50.4 Å²	50.4	30%	0.301	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	127.4	174.4	-66.4	99.5	0	0	0	109.7	Y382 L594	Y382-H643 HydrophobicContact CD1-CB 4.01Å; Y382-H643 HydrophobicContact CE1-CB 4.17Å; L594-H643 HydrophobicContact CB-CB 4.17Å; L594-H643 HydrophobicContact CD1-CB 4.05Å; L594-H643 HydrophobicContact CD2-CB 4.35Å; L594-H643 HydrophobicContact CG-CB 4.43Å
644	R	94.4	Very high	74.6	Confident	4 Å²	4	45 Å²	45	2%	0.015	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	129.9	177.5	-67.1	174.7	-57	128.1	23.3	110.4	Y382 V386 Y387 L594 V595 Y646	Y382-R644 CarbonylContact O-C 3.41Å; Y382-R644 WeakPolarHBondContact O-CA 3.37Å; V386-R644 HydrophobicContact CB-CG 4.24Å; V386-R644 HydrophobicContact CG1-CG 3.44Å; V386-R644 VanDerWaalsContact CG1-CG 3.44Å; Y387-R644 PolarHBondContact OH-NH1 2.79Å; L594-R644 CarbonylContact C-O 3.57Å; L594-R644 WeakPolarHBondContact CA-O 3.47Å; V595-R644 PolarHBondContact N-O 3.28Å; V595-R644 PolarHBondContact O-N 3.27Å; R644-Y646 HydrophobicContact CB-CD2 4.25Å; R644-Y646 HydrophobicContact CB-CE2 3.95Å; R644-Y646 PolarHBondContact NH1-OH 2.86Å; R644-Y646 VanDerWaalsContact NH2-CE2 3.32Å; R644-Y646 PolarHBondContact NH2-OH 3.28Å
645	Y	96.5	Very high	77.8	Confident	0 Å²	0	41 Å²	41	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	138.4	173.8	169.2	-94.3	0	0	0	111	L378 Y382 H483 S485 L579 D592 H647	L378-Y645 HydrophobicContact CD2-CD2 3.9Å; L378-Y645 HydrophobicContact CD2-CE2 4.19Å; L378-Y645 HydrophobicContact CD2-CG 4.22Å; Y382-Y645 PolarHBondContact O-N 3.48Å; H483-Y645 PolarHBondContact CE1-O 2.75Å; H483-Y645 PolarHBondContact ND1-O 3.44Å; H483-Y645 WeakPolarHBondContact O-CD1 3.2Å; S485-Y645 VanDerWaalsContact CA-CE1 3.48Å; S485-Y645 WeakPolarHBondContact CA-OH 3.48Å; L579-Y645 HydrophobicContact CD1-CD2 4.16Å; L579-Y645 HydrophobicContact CD2-CD2 4.32Å; L579-Y645 HydrophobicContact CD2-CE2 4.1Å; D592-Y645 HydrophobicContact CB-CE2 4.21Å; D592-Y645 PolarHBondContact OD1-OH 3.32Å; Y645-H647 WeakPolarHBondContact OH-CB 3.43Å
646	Y	96.3	Very high	81.2	Confident	4 Å²	4	43.1 Å²	43.1	2%	0.016	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	137.3	175.4	-86.6	-105.9	0	0	0	109.8	H482 H483 W512 D592 L593 V595 R644 V648	H482-Y646 AromaticContact CD2-CD1 3.5Å; H482-Y646 VanDerWaalsContact CD2-CD1 3.5Å; H482-Y646 WeakPolarHBondContact CD2-CD1 3.29Å; H482-Y646 AromaticContact CD2-CE1 3.34Å; H482-Y646 WeakPolarHBondContact CD2-CE1 3.45Å; H482-Y646 AromaticContact CE1-CE1 3.79Å; H482-Y646 AromaticContact NE2-CD1 3.76Å; H482-Y646 AromaticContact NE2-CE1 3.09Å; H482-Y646 WeakPolarHBondContact NE2-CE1 3.43Å; H482-Y646 AromaticContact NE2-CZ 3.74Å; H482-Y646 CarbonylContact O-C 3.3Å; H482-Y646 WeakPolarHBondContact O-CA 3.47Å; H483-Y646 AromaticContact CE1-CD2 3.89Å; H483-Y646 AromaticContact CE1-CE2 3.44Å; H483-Y646 VanDerWaalsContact CE1-CE2 3.44Å; H483-Y646 WeakPolarHBondContact CE1-CE2 3.5Å; H483-Y646 AromaticContact CE1-CZ 3.54Å; W512-Y646 AromaticContact CD2-CD1 3.92Å; W512-Y646 HydrophobicContact CD2-CD1 3.92Å; W512-Y646 AromaticContact CD2-CE1 3.44Å; W512-Y646 HydrophobicContact CD2-CE1 3.44Å; W512-Y646 VanDerWaalsContact CD2-CE1 3.44Å; W512-Y646 AromaticContact CE2-CE1 3.79Å; W512-Y646 AromaticContact CE3-CD1 3.69Å; W512-Y646 HydrophobicContact CE3-CD1 3.69Å; W512-Y646 AromaticContact CE3-CE1 3.51Å; W512-Y646 HydrophobicContact CE3-CE1 3.51Å; W512-Y646 HydrophobicContact CG-CD1 4.27Å; W512-Y646 AromaticContact CG-CE1 3.94Å; W512-Y646 HydrophobicContact CG-CE1 3.94Å; W512-Y646 HydrophobicContact CH2-CE1 4.28Å; W512-Y646 HydrophobicContact CZ2-CE1 4.21Å; W512-Y646 HydrophobicContact CZ3-CD1 4.3Å; W512-Y646 AromaticContact CZ3-CE1 3.94Å; W512-Y646 HydrophobicContact CZ3-CE1 3.94Å; D592-Y646 WeakPolarHBondContact CA-O 3.44Å; L593-Y646 PolarHBondContact N-O 3.04Å; L593-Y646 PolarHBondContact O-N 3.26Å; V595-Y646 HydrophobicContact CB-CD2 3.66Å; V595-Y646 HydrophobicContact CB-CE2 3.87Å; V595-Y646 HydrophobicContact CB-CG 4.42Å; V595-Y646 HydrophobicContact CG1-CE2 4.41Å; V595-Y646 HydrophobicContact CG2-CD1 4.47Å; V595-Y646 HydrophobicContact CG2-CD2 3.44Å; V595-Y646 VanDerWaalsContact CG2-CD2 3.44Å; V595-Y646 HydrophobicContact CG2-CE2 4.05Å; V595-Y646 HydrophobicContact CG2-CG 3.72Å; R644-Y646 HydrophobicContact CB-CD2 4.25Å; R644-Y646 HydrophobicContact CB-CE2 3.95Å; R644-Y646 PolarHBondContact NH1-OH 2.86Å; R644-Y646 VanDerWaalsContact NH2-CE2 3.32Å; R644-Y646 PolarHBondContact NH2-OH 3.28Å; Y646-V648 HydrophobicContact CD1-CG1 4.4Å
647	H	97	Very high	84.6	Confident	7 Å²	7	40.4 Å²	40.4	3%	0.032	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	106	153.6	-164	77.8	0	0	0	108.9	H482 R490 Q591 D592 Y645 F649 E653	H482-H647 WeakPolarHBondContact CB-O 3.13Å; H482-H647 PolarHBondContact O-N 2.88Å; R490-H647 VanDerWaalsContact CZ-CD2 3.42Å; R490-H647 PolarHBondContact NH2-CD2 2.82Å; R490-H647 PolarHBondContact NH2-CE1 3.18Å; R490-H647 PolarHBondContact NH2-ND1 2.94Å; R490-H647 PolarHBondContact NH2-NE2 3.39Å; R490-H647 VanDerWaalsContact NH2-NE2 3.16Å; Q591-H647 PolarHBondContact NE2-NE2 2.81Å; Q591-H647 CarbonylContact O-C 3.59Å; Q591-H647 WeakPolarHBondContact O-CA 3.44Å; D592-H647 IonicContact OD1-CE1 3.37Å; D592-H647 IonicContact OD1-CG 2.72Å; D592-H647 IonicContact OD1-ND1 2.71Å; D592-H647 PolarHBondContact OD1-ND1 3.48Å; D592-H647 IonicContact OD2-CE1 2.75Å; D592-H647 PolarHBondContact OD2-CE1 3.19Å; D592-H647 VanDerWaalsContact OD2-CE1 3.28Å; D592-H647 IonicContact OD2-ND1 3.62Å; D592-H647 PolarHBondContact OD2-ND1 2.9Å; D592-H647 VanDerWaalsContact OD2-ND1 3.15Å; Y645-H647 WeakPolarHBondContact OH-CB 3.43Å; H647-F649 WeakPolarHBondContact O-CD2 3.47Å; H647-E653 IonicContact CD2-OE1 3.82Å; H647-E653 PolarHBondContact CD2-OE1 2.85Å; H647-E653 IonicContact NE2-OE1 3.79Å; H647-E653 PolarHBondContact NE2-OE1 3.32Å; H647-E653 IonicContact NE2-OE2 2.79Å
648	V	95.3	Very high	87.6	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-87.9	125.9	174.8	-62.3	0	0	0	0	109.9	W512 Y514 F588 Q591 L593 Y646	W512-V648 HydrophobicContact CB-CB 4.48Å; W512-V648 HydrophobicContact CB-CG1 3.84Å; W512-V648 HydrophobicContact CE3-CG1 4.25Å; W512-V648 CarbonylContact O-C 3.46Å; W512-V648 WeakPolarHBondContact O-CA 3.24Å; Y514-V648 HydrophobicContact CD2-CG2 3.77Å; F588-V648 HydrophobicContact CB-CG2 4.2Å; F588-V648 HydrophobicContact CD2-CB 4.25Å; F588-V648 HydrophobicContact CD2-CG1 4.17Å; F588-V648 HydrophobicContact CD2-CG2 3.91Å; F588-V648 HydrophobicContact CE1-CG1 4.48Å; F588-V648 HydrophobicContact CE2-CB 4.37Å; F588-V648 HydrophobicContact CE2-CG1 3.9Å; F588-V648 HydrophobicContact CE2-CG2 4.47Å; F588-V648 HydrophobicContact CG-CG2 3.99Å; F588-V648 HydrophobicContact CZ-CG1 4.08Å; Q591-V648 WeakPolarHBondContact CG-O 3.49Å; Q591-V648 WeakPolarHBondContact O-CG2 3.35Å; Q591-V648 PolarHBondContact O-N 2.93Å; L593-V648 HydrophobicContact CD2-CG1 4.17Å; L593-V648 HydrophobicContact CD2-CG2 4.16Å; Y646-V648 HydrophobicContact CD1-CG1 4.4Å
649	F	96.8	Very high	90.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-82.9	140.8	-168.2	-76.3	-119	0	0	0	111.4	I481 H482 V511 W512 A513 Y514 H647 E653 L654 L657 W676	I481-F649 HydrophobicContact CG2-CZ 4.2Å; H482-F649 HydrophobicContact CB-CD2 4.47Å; H482-F649 HydrophobicContact CB-CE2 4.11Å; V511-F649 HydrophobicContact CB-CD2 3.58Å; V511-F649 HydrophobicContact CB-CE2 3.67Å; V511-F649 HydrophobicContact CB-CG 4.13Å; V511-F649 HydrophobicContact CB-CZ 4.28Å; V511-F649 HydrophobicContact CG1-CD2 4.12Å; V511-F649 HydrophobicContact CG1-CE2 3.69Å; V511-F649 HydrophobicContact CG1-CZ 3.9Å; V511-F649 HydrophobicContact CG2-CB 3.76Å; V511-F649 HydrophobicContact CG2-CD1 3.91Å; V511-F649 HydrophobicContact CG2-CD2 3.43Å; V511-F649 VanDerWaalsContact CG2-CD2 3.43Å; V511-F649 HydrophobicContact CG2-CE1 4.31Å; V511-F649 HydrophobicContact CG2-CE2 3.89Å; V511-F649 HydrophobicContact CG2-CG 3.43Å; V511-F649 VanDerWaalsContact CG2-CG 3.43Å; V511-F649 HydrophobicContact CG2-CZ 4.29Å; W512-F649 PolarHBondContact O-N 3.31Å; A513-F649 CarbonylContact C-O 3.58Å; A513-F649 WeakPolarHBondContact CA-O 3.27Å; Y514-F649 PolarHBondContact N-O 3.45Å; H647-F649 WeakPolarHBondContact O-CD2 3.47Å; F649-E653 VanDerWaalsContact CA-OE2 3.22Å; F649-E653 WeakPolarHBondContact CA-OE2 3.26Å; F649-E653 HydrophobicContact CB-CB 4.43Å; F649-E653 HydrophobicContact CD1-CB 4.08Å; F649-E653 HydrophobicContact CD1-CG 3.96Å; F649-E653 WeakPolarHBondContact CD1-OE1 3.29Å; F649-L654 HydrophobicContact CD1-CB 3.91Å; F649-L654 HydrophobicContact CE1-CB 4.21Å; F649-L654 HydrophobicContact CE1-CD1 3.99Å; F649-L657 HydrophobicContact CE1-CD2 3.87Å; F649-L657 HydrophobicContact CZ-CD2 4.17Å; F649-W676 VanDerWaalsContact O-CD1 3.29Å
650	Q	95.1	Very high	92.9	Very high	81 Å²	81	40 Å²	40	38%	0.379	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-81.6	164.1	170.2	-69.3	-178.8	8	0	0	112.3	Y514 E515 Q591 G652 E653	Y514-Q650 HydrophobicContact CD1-CG 4.21Å; Y514-Q650 HydrophobicContact CG-CG 4.24Å; E515-Q650 WeakPolarHBondContact OE1-CA 3.25Å; Q591-Q650 HydrophobicContact CG-CG 4.23Å; Q650-G652 PolarHBondContact O-N 3.18Å; Q650-E653 PolarHBondContact N-OE2 2.8Å; Q650-E653 VanDerWaalsContact O-CB 3.24Å; Q650-E653 WeakPolarHBondContact O-CB 3.32Å; Q650-E653 PolarHBondContact O-N 2.96Å
651	Q	94.3	Very high	94.4	Very high	113 Å²	113	37.9 Å²	37.9	53%	0.528	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	122.4	176	-177.8	166.7	1	0	0	112	E515 E653 W676	E515-Q651 PolarHBondContact OE1-N 2.69Å; E515-Q651 PolarHBondContact OE2-N 3.01Å; Q651-E653 VanDerWaalsContact C-N 3.32Å; Q651-W676 HydrophobicContact CB-CH2 3.97Å; Q651-W676 HydrophobicContact CB-CZ2 3.49Å; Q651-W676 VanDerWaalsContact CB-CZ2 3.49Å; Q651-W676 HydrophobicContact CG-CH2 3.58Å; Q651-W676 HydrophobicContact CG-CZ2 3.68Å; Q651-W676 HydrophobicContact CG-CZ3 4.3Å
652	G	94.6	Very high	95.1	Very high	29 Å²	29	41.3 Å²	41.3	30%	0.299	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	-11.9	-179.2	0	0	0	0	0	115	Q650 E655 Q656	Q650-G652 PolarHBondContact O-N 3.18Å; G652-E655 VanDerWaalsContact C-OE2 3.31Å; G652-E655 VanDerWaalsContact CA-OE2 3.22Å; G652-E655 WeakPolarHBondContact CA-OE2 3.46Å; G652-E655 PolarHBondContact O-N 2.89Å; G652-Q656 WeakPolarHBondContact O-CB 3.37Å; G652-Q656 PolarHBondContact O-N 2.64Å
653	E	97.4	Very high	95.4	Very high	44 Å²	44	40.7 Å²	40.7	21%	0.206	22%	0.22	C	C	.	.	H	α-helix	trans	-67.1	-41.6	-177.2	-170.1	-162.1	140.4	0	0	112	Q591 H647 F649 Q650 Q651 Q656 L657	Q591-E653 PolarHBondContact NE2-OE2 2.9Å; H647-E653 IonicContact CD2-OE1 3.82Å; H647-E653 PolarHBondContact CD2-OE1 2.85Å; H647-E653 IonicContact NE2-OE1 3.79Å; H647-E653 PolarHBondContact NE2-OE1 3.32Å; H647-E653 IonicContact NE2-OE2 2.79Å; F649-E653 VanDerWaalsContact CA-OE2 3.22Å; F649-E653 WeakPolarHBondContact CA-OE2 3.26Å; F649-E653 HydrophobicContact CB-CB 4.43Å; F649-E653 HydrophobicContact CD1-CB 4.08Å; F649-E653 HydrophobicContact CD1-CG 3.96Å; F649-E653 WeakPolarHBondContact CD1-OE1 3.29Å; Q650-E653 PolarHBondContact N-OE2 2.8Å; Q650-E653 VanDerWaalsContact O-CB 3.24Å; Q650-E653 WeakPolarHBondContact O-CB 3.32Å; Q650-E653 PolarHBondContact O-N 2.96Å; Q651-E653 VanDerWaalsContact C-N 3.32Å; E653-Q656 PolarHBondContact O-N 3.05Å; E653-L657 WeakPolarHBondContact O-CB 3.25Å; E653-L657 PolarHBondContact O-N 3.48Å
654	L	97.6	Very high	95.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66.8	-40.4	179.4	178.3	61.3	0	0	0	110.9	I509 V511 F649 L657 C658 V678	I509-L654 HydrophobicContact CB-CD2 4.47Å; I509-L654 HydrophobicContact CG2-CD1 3.91Å; I509-L654 HydrophobicContact CG2-CD2 4.03Å; V511-L654 HydrophobicContact CG1-CD1 4.32Å; V511-L654 HydrophobicContact CG1-CD2 4.49Å; V511-L654 HydrophobicContact CG2-CB 4.34Å; V511-L654 HydrophobicContact CG2-CD2 3.91Å; V511-L654 HydrophobicContact CG2-CG 4.48Å; F649-L654 HydrophobicContact CD1-CB 3.91Å; F649-L654 HydrophobicContact CE1-CB 4.21Å; F649-L654 HydrophobicContact CE1-CD1 3.99Å; L654-L657 PolarHBondContact O-N 3.45Å; L654-C658 WeakPolarHBondContact O-CB 3.28Å; L654-C658 PolarHBondContact O-N 2.81Å; L654-C658 PolarHBondContact O-SG 2.83Å; L654-V678 HydrophobicContact CB-CG2 4.4Å; L654-V678 HydrophobicContact CD2-CB 3.92Å; L654-V678 HydrophobicContact CD2-CG2 3.67Å; L654-V678 HydrophobicContact CG-CB 4.21Å; L654-V678 HydrophobicContact CG-CG2 3.77Å
655	E	96.6	Very high	95.7	Very high	37 Å²	37	44.6 Å²	44.6	17%	0.173	24%	0.238	C	C	.	.	H	α-helix	trans	-60.8	-47.1	175.5	-62.1	93.1	135.2	0	0	111.3	G652 C658 I659 S669 V678	G652-E655 VanDerWaalsContact C-OE2 3.31Å; G652-E655 VanDerWaalsContact CA-OE2 3.22Å; G652-E655 WeakPolarHBondContact CA-OE2 3.46Å; G652-E655 PolarHBondContact O-N 2.89Å; E655-C658 PolarHBondContact O-N 2.94Å; E655-I659 WeakPolarHBondContact O-CD1 3.44Å; E655-I659 VanDerWaalsContact O-CG1 3.3Å; E655-I659 WeakPolarHBondContact O-CG1 3.47Å; E655-I659 PolarHBondContact O-N 3.41Å; E655-S669 VanDerWaalsContact OE1-CB 3.24Å; E655-S669 WeakPolarHBondContact OE1-CB 3.49Å; E655-S669 PolarHBondContact OE1-OG 3.27Å; E655-V678 HydrophobicContact CG-CG2 3.94Å
656	Q	96.2	Very high	95.8	Very high	109 Å²	109	46.5 Å²	46.5	51%	0.509	25%	0.25	S	C	.	.	H	α-helix	trans	-61.9	-48.2	177.8	-177	55.1	50	0	0	111.6	G652 E653 C658 I659 E660	G652-Q656 WeakPolarHBondContact O-CB 3.37Å; G652-Q656 PolarHBondContact O-N 2.64Å; E653-Q656 PolarHBondContact O-N 3.05Å; Q656-C658 PolarHBondContact O-N 2.69Å; Q656-I659 PolarHBondContact O-N 2.94Å; Q656-I659 VanDerWaalsContact O-N 3.07Å; Q656-E660 PolarHBondContact O-N 2.66Å
657	L	97.1	Very high	95.7	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-56.9	-33.3	175.6	-173.6	75.2	0	0	0	112.3	Q487 R490 L491 V494 F649 E653 L654	Q487-L657 HydrophobicContact CG-CD1 4.03Å; R490-L657 HydrophobicContact CB-CD1 4.35Å; R490-L657 HydrophobicContact CB-CD2 3.87Å; L491-L657 HydrophobicContact CB-CD1 3.81Å; L491-L657 HydrophobicContact CD1-CD1 4.2Å; L491-L657 HydrophobicContact CD1-CG 4.48Å; L491-L657 VanDerWaalsContact CD1-O 3.23Å; L491-L657 WeakPolarHBondContact CD1-O 3.45Å; V494-L657 HydrophobicContact CG2-CD2 4.04Å; V494-L657 HydrophobicContact CG2-CG 4.36Å; F649-L657 HydrophobicContact CE1-CD2 3.87Å; F649-L657 HydrophobicContact CZ-CD2 4.17Å; E653-L657 WeakPolarHBondContact O-CB 3.25Å; E653-L657 PolarHBondContact O-N 3.48Å; L654-L657 PolarHBondContact O-N 3.45Å
658	C	96.6	Very high	95.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-78.4	-32	177.5	-66.5	0	0	0	0	113.4	L654 E655 Q656 E660 V661 V666 L680	L654-C658 WeakPolarHBondContact O-CB 3.28Å; L654-C658 PolarHBondContact O-N 2.81Å; L654-C658 PolarHBondContact O-SG 2.83Å; E655-C658 PolarHBondContact O-N 2.94Å; Q656-C658 PolarHBondContact O-N 2.69Å; C658-E660 VanDerWaalsContact C-N 3.27Å; C658-E660 PolarHBondContact O-N 2.72Å; C658-V661 WeakPolarHBondContact O-CB 3.29Å; C658-V661 PolarHBondContact O-N 3.22Å; C658-V666 HydrophobicContact CB-CG2 4.25Å; C658-L680 HydrophobicContact CB-CD1 4.09Å; C658-L680 HydrophobicContact CB-CD2 3.55Å; C658-L680 HydrophobicContact CB-CG 4.4Å
659	I	94.2	Very high	95.7	Very high	108 Å²	108	55.2 Å²	55.2	55%	0.554	30%	0.3	S	S	*	.	H	α-helix	trans	-73.6	-20.5	178	-68.3	163.9	0	0	0	111.5	E655 Q656 V661 V666	E655-I659 WeakPolarHBondContact O-CD1 3.44Å; E655-I659 VanDerWaalsContact O-CG1 3.3Å; E655-I659 WeakPolarHBondContact O-CG1 3.47Å; E655-I659 PolarHBondContact O-N 3.41Å; Q656-I659 PolarHBondContact O-N 2.94Å; Q656-I659 VanDerWaalsContact O-N 3.07Å; I659-V661 PolarHBondContact O-N 2.8Å; I659-V666 HydrophobicContact CD1-CG2 4.4Å; I659-V666 HydrophobicContact CG1-CG2 4.01Å
660	E	95.5	Very high	95.7	Very high	67 Å²	67	57.3 Å²	57.3	31%	0.313	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-1.1	167.4	-70.4	179.8	-126.7	0	0	114.5	Q487 L491 R495 Q656 C658	Q487-E660 PolarHBondContact NE2-OE1 2.57Å; Q487-E660 VanDerWaalsContact NE2-OE1 3.11Å; L491-E660 HydrophobicContact CD1-CB 3.66Å; L491-E660 HydrophobicContact CD2-CB 4.21Å; L491-E660 VanDerWaalsContact CD2-OE2 3.26Å; L491-E660 WeakPolarHBondContact CD2-OE2 3.23Å; R495-E660 PolarHBondContact NH2-O 2.69Å; Q656-E660 PolarHBondContact O-N 2.66Å; C658-E660 VanDerWaalsContact C-N 3.27Å; C658-E660 PolarHBondContact O-N 2.72Å
661	V	95.8	Very high	95.6	Very high	10 Å²	10	55 Å²	55	6%	0.061	30%	0.298	C	S	.	.	S	Bend	trans	-102.7	125.8	172.8	-174.4	0	0	0	0	110.2	L491 V494 R495 V498 C658 I659 V664	L491-V661 HydrophobicContact CD1-CG2 3.78Å; V494-V661 HydrophobicContact CB-CG2 4.18Å; V494-V661 HydrophobicContact CG1-CG2 3.85Å; R495-V661 HydrophobicContact CG-CB 4.49Å; R495-V661 HydrophobicContact CG-CG1 4.08Å; R495-V661 HydrophobicContact CG-CG2 3.71Å; V498-V661 HydrophobicContact CB-CG1 4.16Å; V498-V661 HydrophobicContact CG1-CG1 4.04Å; V498-V661 HydrophobicContact CG2-CG1 4.07Å; C658-V661 WeakPolarHBondContact O-CB 3.29Å; C658-V661 PolarHBondContact O-N 3.22Å; I659-V661 PolarHBondContact O-N 2.8Å; V661-V664 HydrophobicContact CB-CG2 4.06Å; V661-V664 HydrophobicContact CG1-CG2 4.38Å; V661-V664 WeakPolarHBondContact O-CG2 3.21Å
662	T	92.6	Very high	95.4	Very high	133 Å²	133	50.9 Å²	50.9	82%	0.816	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	139.7	178.8	52.7	0	0	0	0	112
663	G	92.9	Very high	95	Very high	39 Å²	39	53.3 Å²	53.3	40%	0.402	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	26.6	175.6	0	0	0	0	0	114.3	E683	G663-E683 PolarHBondContact O-N 3.01Å
664	V	95.8	Very high	94.6	Very high	21 Å²	21	51.4 Å²	51.4	13%	0.127	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	154.7	169.1	-63.1	0	0	0	0	112.3	V498 V661 K681	V498-V664 HydrophobicContact CB-CG1 4.12Å; V498-V664 HydrophobicContact CG1-CG1 3.45Å; V498-V664 VanDerWaalsContact CG1-CG1 3.45Å; V498-V664 HydrophobicContact CG2-CG1 3.46Å; V498-V664 VanDerWaalsContact CG2-CG1 3.46Å; V661-V664 HydrophobicContact CB-CG2 4.06Å; V661-V664 HydrophobicContact CG1-CG2 4.38Å; V661-V664 WeakPolarHBondContact O-CG2 3.21Å; V664-K681 CarbonylContact C-O 3.45Å; V664-K681 WeakPolarHBondContact CA-O 3.45Å
665	K	96.6	Very high	94.5	Very high	130 Å²	130	52 Å²	52	57%	0.565	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	125.1	171.2	-176.1	167.7	-175.6	169.6	0	110.3	Q667 K681 E683	K665-Q667 PolarHBondContact O-N 2.77Å; K665-K681 PolarHBondContact N-O 3.14Å; K665-K681 PolarHBondContact O-N 3.33Å; K665-E683 HydrophobicContact CB-CG 4.46Å
666	V	97.1	Very high	94.5	Very high	41 Å²	41	50.4 Å²	50.4	25%	0.248	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	116.5	162.9	175.6	0	0	0	0	107.6	C658 I659 V678 L680	C658-V666 HydrophobicContact CB-CG2 4.25Å; I659-V666 HydrophobicContact CD1-CG2 4.4Å; I659-V666 HydrophobicContact CG1-CG2 4.01Å; V666-V678 HydrophobicContact CG1-CG1 4.15Å; V666-V678 HydrophobicContact CG2-CG1 4.34Å; V666-L680 HydrophobicContact CB-CD2 4.46Å; V666-L680 HydrophobicContact CG2-CD2 3.72Å
667	Q	95.8	Very high	94.6	Very high	85 Å²	85	45.2 Å²	45.2	40%	0.397	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-43.7	177.3	-63.9	-166.9	-71.7	0	0	111.6	K665 I679 K681	K665-Q667 PolarHBondContact O-N 2.77Å; Q667-I679 HydrophobicContact CB-CG2 4.42Å; Q667-I679 PolarHBondContact N-O 2.75Å; Q667-K681 VanDerWaalsContact CD-CB 3.47Å; Q667-K681 HydrophobicContact CG-CB 3.67Å
668	T	95.9	Very high	94.6	Very high	64 Å²	64	45 Å²	45	39%	0.393	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	145.3	174.8	58.4	0	0	0	0	110	V678 I679	T668-V678 WeakPolarHBondContact O-CA 3.42Å; T668-I679 PolarHBondContact O-N 2.9Å
669	S	96.1	Very high	94.7	Very high	45 Å²	45	46.2 Å²	46.2	32%	0.315	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	146.3	159.8	-179.4	0	0	0	0	109	E655 C677	E655-S669 VanDerWaalsContact OE1-CB 3.24Å; E655-S669 WeakPolarHBondContact OE1-CB 3.49Å; E655-S669 PolarHBondContact OE1-OG 3.27Å; S669-C677 CarbonylContact C-O 3.59Å; S669-C677 WeakPolarHBondContact CA-O 3.48Å
670	Y	95.3	Very high	94.8	Very high	43 Å²	43	41.1 Å²	41.1	17%	0.169	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	156.3	174.1	54.9	-89.7	0	0	0	112.4	D672 C677	Y670-D672 HydrophobicContact CD2-CB 4.1Å; Y670-D672 HydrophobicContact CE2-CB 4.06Å; Y670-C677 HydrophobicContact CD1-CB 4.45Å; Y670-C677 HydrophobicContact CD2-CB 3.64Å; Y670-C677 HydrophobicContact CE1-CB 4.18Å; Y670-C677 HydrophobicContact CE2-CB 3.34Å; Y670-C677 HydrophobicContact CG-CB 4.21Å; Y670-C677 PolarHBondContact N-O 3.02Å; Y670-C677 WeakPolarHBondContact O-CB 3.29Å; Y670-C677 PolarHBondContact O-N 3.08Å
671	H	93.3	Very high	94.9	Very high	33 Å²	33	41.8 Å²	41.8	15%	0.153	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	135.4	165.4	177.7	-109	0	0	0	110.8	Y518 G674 N675 W676	Y518-H671 HydrophobicContact CD1-CB 3.67Å; Y518-H671 AromaticContact CD1-CG 3.78Å; Y518-H671 AromaticContact CD1-ND1 3.56Å; Y518-H671 HydrophobicContact CE1-CB 3.86Å; Y518-H671 HydrophobicContact CG-CB 4.17Å; Y518-H671 AromaticContact CG-CG 3.95Å; Y518-H671 AromaticContact CG-ND1 3.78Å; H671-G674 PolarHBondContact CE1-N 3.17Å; H671-G674 VanDerWaalsContact NE2-CA 3.26Å; H671-G674 WeakPolarHBondContact NE2-CA 3.3Å; H671-G674 PolarHBondContact NE2-N 3.41Å; H671-N675 CarbonylContact C-O 3.51Å; H671-N675 WeakPolarHBondContact CA-O 3.21Å; H671-N675 PolarHBondContact CD2-O 2.83Å; H671-W676 HydrophobicContact CB-CE3 4.06Å; H671-W676 HydrophobicContact CB-CH2 4Å; H671-W676 HydrophobicContact CB-CZ3 3.69Å
672	D	90.6	Very high	95	Very high	27 Å²	27	42.7 Å²	42.7	14%	0.144	23%	0.23	C	C	.	.			trans	-135.8	102.3	174.2	-171.2	14	0	0	0	111.2	Y510 Y670 G674 N675	Y510-D672 HydrophobicContact CE1-CB 3.93Å; Y510-D672 WeakPolarHBondContact CE1-OD2 3.34Å; Y510-D672 PolarHBondContact OH-OD2 2.94Å; Y670-D672 HydrophobicContact CD2-CB 4.1Å; Y670-D672 HydrophobicContact CE2-CB 4.06Å; D672-G674 VanDerWaalsContact C-N 3.35Å; D672-G674 PolarHBondContact O-N 3.21Å; D672-N675 PolarHBondContact N-O 3.35Å; D672-N675 WeakPolarHBondContact O-CB 3.37Å; D672-N675 PolarHBondContact O-N 3.36Å; D672-N675 VanDerWaalsContact O-N 3.11Å; D672-N675 PolarHBondContact O-ND2 3.15Å
673	Q	86.6	Confident	95.1	Very high	80 Å²	80	44 Å²	44	37%	0.374	23%	0.227	S	C	.	.	S	Bend	trans	54.4	38.7	168.7	-62.9	-69.7	-59.9	0	0	115.7	K524	K524-Q673 VanDerWaalsContact CG-OE1 3.28Å
674	G	87.8	Confident	95.2	Very high	3 Å²	3	44.3 Å²	44.3	3%	0.031	22%	0.218	C	C	.	.	S	Bend	trans	95	19.7	-177.9	0	0	0	0	0	113.8	A513 Q516 H671 D672	A513-G674 PolarHBondContact N-O 3.4Å; Q516-G674 PolarHBondContact NE2-O 3.26Å; H671-G674 PolarHBondContact CE1-N 3.17Å; H671-G674 VanDerWaalsContact NE2-CA 3.26Å; H671-G674 WeakPolarHBondContact NE2-CA 3.3Å; H671-G674 PolarHBondContact NE2-N 3.41Å; D672-G674 VanDerWaalsContact C-N 3.35Å; D672-G674 PolarHBondContact O-N 3.21Å
675	N	95.5	Very high	95.2	Very high	12 Å²	12	45.5 Å²	45.5	6%	0.064	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	142.1	178.7	-53.2	-94.5	0	0	0	110.3	Y510 V511 W512 H671 D672	Y510-N675 HydrophobicContact CD1-CB 3.94Å; V511-N675 CarbonylContact O-C 3.54Å; V511-N675 WeakPolarHBondContact O-CA 3.43Å; V511-N675 WeakPolarHBondContact O-CB 3.32Å; W512-N675 VanDerWaalsContact CD1-OD1 3.28Å; H671-N675 CarbonylContact C-O 3.51Å; H671-N675 WeakPolarHBondContact CA-O 3.21Å; H671-N675 PolarHBondContact CD2-O 2.83Å; D672-N675 PolarHBondContact N-O 3.35Å; D672-N675 WeakPolarHBondContact O-CB 3.37Å; D672-N675 PolarHBondContact O-N 3.36Å; D672-N675 VanDerWaalsContact O-N 3.11Å; D672-N675 PolarHBondContact O-ND2 3.15Å
676	W	97.1	Very high	95.1	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.015	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	135.5	163.4	-71	116.6	0	0	0	109.4	V511 A513 E515 Y518 F649 Q651 H671	V511-W676 HydrophobicContact CG2-CB 3.99Å; V511-W676 PolarHBondContact N-O 2.92Å; V511-W676 PolarHBondContact O-N 3.31Å; A513-W676 VanDerWaalsContact CB-CD1 3.46Å; A513-W676 HydrophobicContact CB-CG 4.18Å; E515-W676 PolarHBondContact OE2-NE1 2.92Å; Y518-W676 AromaticContact CD2-CH2 3.95Å; Y518-W676 HydrophobicContact CD2-CH2 3.95Å; Y518-W676 HydrophobicContact CD2-CZ2 4.28Å; Y518-W676 AromaticContact CE2-CH2 3.58Å; Y518-W676 HydrophobicContact CE2-CH2 3.58Å; Y518-W676 HydrophobicContact CE2-CZ2 4.27Å; Y518-W676 AromaticContact CZ-CH2 3.92Å; F649-W676 VanDerWaalsContact O-CD1 3.29Å; Q651-W676 HydrophobicContact CB-CH2 3.97Å; Q651-W676 HydrophobicContact CB-CZ2 3.49Å; Q651-W676 VanDerWaalsContact CB-CZ2 3.49Å; Q651-W676 HydrophobicContact CG-CH2 3.58Å; Q651-W676 HydrophobicContact CG-CZ2 3.68Å; Q651-W676 HydrophobicContact CG-CZ3 4.3Å; H671-W676 HydrophobicContact CB-CE3 4.06Å; H671-W676 HydrophobicContact CB-CH2 4Å; H671-W676 HydrophobicContact CB-CZ3 3.69Å
677	C	97.9	Very high	95	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	128.4	-166.7	-44.2	0	0	0	0	110.1	I509 Y510 S669 Y670	I509-C677 VanDerWaalsContact O-CA 3.29Å; I509-C677 WeakPolarHBondContact O-CA 3.45Å; Y510-C677 HydrophobicContact CD1-CB 4.43Å; Y510-C677 WeakPolarHBondContact CD1-SG 3.33Å; Y510-C677 HydrophobicContact CD2-CB 4.05Å; Y510-C677 HydrophobicContact CE1-CB 4.39Å; Y510-C677 WeakPolarHBondContact CE1-SG 3.44Å; Y510-C677 HydrophobicContact CE2-CB 3.98Å; Y510-C677 HydrophobicContact CG-CB 4.28Å; S669-C677 CarbonylContact C-O 3.59Å; S669-C677 WeakPolarHBondContact CA-O 3.48Å; Y670-C677 HydrophobicContact CD1-CB 4.45Å; Y670-C677 HydrophobicContact CD2-CB 3.64Å; Y670-C677 HydrophobicContact CE1-CB 4.18Å; Y670-C677 HydrophobicContact CE2-CB 3.34Å; Y670-C677 HydrophobicContact CG-CB 4.21Å; Y670-C677 PolarHBondContact N-O 3.02Å; Y670-C677 WeakPolarHBondContact O-CB 3.29Å; Y670-C677 PolarHBondContact O-N 3.08Å
678	V	98.3	Very high	94.9	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	136.2	-178.1	168.4	0	0	0	0	110.5	I509 L654 E655 V666 T668 L680	I509-V678 PolarHBondContact N-O 3.28Å; I509-V678 PolarHBondContact O-N 2.71Å; L654-V678 HydrophobicContact CB-CG2 4.4Å; L654-V678 HydrophobicContact CD2-CB 3.92Å; L654-V678 HydrophobicContact CD2-CG2 3.67Å; L654-V678 HydrophobicContact CG-CB 4.21Å; L654-V678 HydrophobicContact CG-CG2 3.77Å; E655-V678 HydrophobicContact CG-CG2 3.94Å; V666-V678 HydrophobicContact CG1-CG1 4.15Å; V666-V678 HydrophobicContact CG2-CG1 4.34Å; T668-V678 WeakPolarHBondContact O-CA 3.42Å; V678-L680 HydrophobicContact CG1-CD2 3.42Å; V678-L680 VanDerWaalsContact CG1-CD2 3.42Å; V678-L680 HydrophobicContact CG1-CG 3.99Å
679	I	98.4	Very high	94.9	Very high	26 Å²	26	36.3 Å²	36.3	13%	0.133	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	114.8	163.5	-61.2	177	0	0	0	108.3	F408 A507 L508 Q667 T668	F408-I679 HydrophobicContact CD2-CD1 4.05Å; F408-I679 HydrophobicContact CE2-CD1 4.4Å; F408-I679 HydrophobicContact CE2-CG2 4.37Å; A507-I679 CarbonylContact O-C 3.6Å; A507-I679 WeakPolarHBondContact O-CA 3.46Å; L508-I679 HydrophobicContact CD1-CD1 4.28Å; L508-I679 HydrophobicContact CD1-CG1 3.56Å; Q667-I679 HydrophobicContact CB-CG2 4.42Å; Q667-I679 PolarHBondContact N-O 2.75Å; T668-I679 PolarHBondContact O-N 2.9Å
680	L	96.5	Very high	94.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	148.9	168.3	-54	-178.7	0	0	0	109.9	V494 V498 Q506 A507 I509 C658 V666 V678	V494-L680 HydrophobicContact CG1-CD1 3.84Å; V498-L680 HydrophobicContact CG2-CD1 4.41Å; Q506-L680 CarbonylContact C-O 3.58Å; Q506-L680 WeakPolarHBondContact CA-O 3.37Å; A507-L680 HydrophobicContact CB-CB 4.34Å; A507-L680 PolarHBondContact N-O 2.91Å; A507-L680 PolarHBondContact O-N 3.05Å; I509-L680 HydrophobicContact CD1-CD1 3.94Å; I509-L680 HydrophobicContact CD1-CG 4.47Å; C658-L680 HydrophobicContact CB-CD1 4.09Å; C658-L680 HydrophobicContact CB-CD2 3.55Å; C658-L680 HydrophobicContact CB-CG 4.4Å; V666-L680 HydrophobicContact CB-CD2 4.46Å; V666-L680 HydrophobicContact CG2-CD2 3.72Å; V678-L680 HydrophobicContact CG1-CD2 3.42Å; V678-L680 VanDerWaalsContact CG1-CD2 3.42Å; V678-L680 HydrophobicContact CG1-CG 3.99Å
681	K	97.8	Very high	94.7	Very high	81 Å²	81	35.1 Å²	35.1	35%	0.352	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	133.8	161.6	174.1	168.6	178.3	172	0	109.3	G504 G505 Q506 V664 K665 Q667	G504-K681 VanDerWaalsContact CA-CE 3.45Å; G504-K681 WeakPolarHBondContact O-CE 3.47Å; G505-K681 CarbonylContact O-C 3.49Å; G505-K681 WeakPolarHBondContact O-CA 3.49Å; Q506-K681 HydrophobicContact CG-CB 4.35Å; V664-K681 CarbonylContact C-O 3.45Å; V664-K681 WeakPolarHBondContact CA-O 3.45Å; K665-K681 PolarHBondContact N-O 3.14Å; K665-K681 PolarHBondContact O-N 3.33Å; Q667-K681 VanDerWaalsContact CD-CB 3.47Å; Q667-K681 HydrophobicContact CG-CB 3.67Å
682	K	98	Very high	94.8	Very high	30 Å²	30	35.3 Å²	35.3	13%	0.13	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	138.2	169.1	-168.3	173.8	-175.3	173.1	0	109.5	D470 V498 L501 G504 G505	D470-K682 IonicContact OD1-NZ 2.65Å; D470-K682 PolarHBondContact OD1-NZ 2.88Å; V498-K682 HydrophobicContact CG1-CD 4.41Å; V498-K682 HydrophobicContact CG1-CG 4.48Å; V498-K682 WeakPolarHBondContact O-CD 3.47Å; V498-K682 WeakPolarHBondContact O-CE 3.22Å; V498-K682 PolarHBondContact O-NZ 3.47Å; L501-K682 HydrophobicContact CB-CB 4.22Å; L501-K682 HydrophobicContact CB-CD 3.96Å; L501-K682 HydrophobicContact CD1-CB 4.29Å; L501-K682 WeakPolarHBondContact O-CD 3.31Å; L501-K682 PolarHBondContact O-NZ 2.68Å; G504-K682 WeakPolarHBondContact CA-O 3.24Å; G504-K682 PolarHBondContact N-O 3.23Å; G505-K682 PolarHBondContact O-N 2.65Å
683	E	93.7	Very high	95.2	Very high	160 Å²	160	36 Å²	36	75%	0.748	17%	0.168	S	C	*	.			trans	-77.1	0	179.6	-58.6	-165.4	128.5	0	0	112.2	G663 K665	G663-E683 PolarHBondContact O-N 3.01Å; K665-E683 HydrophobicContact CB-CG 4.46Å

Retrieved 683 of 683 residues in 328.4 ms (Link to these results)

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