A0A087X7M7_POEFO Loading...

Deoxyribonuclease-2-alpha

Hydrolyzes DNA under acidic conditions with a preference for double-stranded DNA. Plays a major role in the clearance of nucleic acids generated through apoptosis, hence preventing autoinflammation. Necessary for proper fetal development and for definitive erythropoiesis in fetal liver and bone marrow, where it degrades nuclear DNA expelled from erythroid precursor cells.

AlphaFold DB , UniProt , Accession A0A087X7M7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 376 aa.

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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	40.1	Very low	44.2	Very low	226 Å²	226	162.1 Å²	162.1	100%	1.113	82%	0.82	S	S	*	*				0	89.1	0	-160.6	162	77.1	0	0	106.7
2	F	38.1	Very low	44.3	Very low	207 Å²	207	155.4 Å²	155.4	91%	0.908	81%	0.808	S	S	*	*			trans	-98.2	113.4	-179.8	-83.1	-82.6	0	0	0	107.9
3	L	40.4	Very low	44.3	Very low	157 Å²	157	152 Å²	152	82%	0.822	80%	0.801	S	S	*	*			trans	-76.9	117.2	170.2	-111.6	86.1	0	0	0	108.1
4	I	43.8	Very low	44.4	Very low	150 Å²	150	149.9 Å²	149.9	77%	0.769	80%	0.801	S	S	*	*			trans	-89.7	112.6	168.1	-63.3	174.1	0	0	0	106.6	S6	I4-S6 PolarHBondContact O-N 3.41Å
5	L	47.7	Very low	44.1	Very low	152 Å²	152	144.5 Å²	144.5	80%	0.796	80%	0.796	S	S	*	*			trans	-86	98.9	174.1	-158.9	80.5	0	0	0	108	L7	L5-L7 PolarHBondContact O-N 3.28Å
6	S	45.7	Very low	43.7	Very low	100 Å²	100	140.3 Å²	140.3	70%	0.699	80%	0.795	S	S	*	*			trans	-75.9	107.3	174.2	-61.4	0	0	0	0	109.7	I4 L8	I4-S6 PolarHBondContact O-N 3.41Å; S6-L8 PolarHBondContact O-N 3.29Å
7	L	44.3	Very low	43.9	Very low	145 Å²	145	141.4 Å²	141.4	76%	0.759	80%	0.799	S	S	*	*			trans	-77.4	102.7	174.6	-157.1	80.5	0	0	0	109.1	L5 I9	L5-L7 PolarHBondContact O-N 3.28Å; L7-I9 HydrophobicContact CD2-CG1 4.5Å; L7-I9 PolarHBondContact O-N 3.16Å
8	L	44.8	Very low	45	Very low	158 Å²	158	138.6 Å²	138.6	83%	0.827	80%	0.796	S	S	*	*			trans	-72.8	101.2	168.5	-96	130.8	0	0	0	108.8	S6 M10	S6-L8 PolarHBondContact O-N 3.29Å; L8-M10 PolarHBondContact O-N 3.19Å; L8-M10 VanDerWaalsContact O-N 3.16Å
9	I	49.4	Very low	46.4	Very low	125 Å²	125	135.9 Å²	135.9	64%	0.641	79%	0.786	S	S	*	*			trans	-74.9	98.8	166.4	-60.3	173.9	0	0	0	106.5	L7 F11	L7-I9 HydrophobicContact CD2-CG1 4.5Å; L7-I9 PolarHBondContact O-N 3.16Å; I9-F11 HydrophobicContact CG2-CD2 4.25Å; I9-F11 HydrophobicContact CG2-CE2 4.21Å; I9-F11 PolarHBondContact O-N 3.13Å; I9-F11 VanDerWaalsContact O-N 3.13Å
10	M	46.4	Very low	48.4	Very low	173 Å²	173	132.1 Å²	132.1	85%	0.852	77%	0.766	S	S	*	*			trans	-69.5	104.5	166	-71	-140.6	-79.8	0	0	108	L8 A12	L8-M10 PolarHBondContact O-N 3.19Å; L8-M10 VanDerWaalsContact O-N 3.16Å; M10-A12 VanDerWaalsContact C-N 3.33Å; M10-A12 PolarHBondContact O-N 3.01Å
11	F	45.6	Very low	50.7	Low	190 Å²	190	126 Å²	126	83%	0.833	73%	0.73	S	S	*	*			trans	-64.8	98.5	160.7	-84	-91.6	0	0	0	107.3	I9	I9-F11 HydrophobicContact CG2-CD2 4.25Å; I9-F11 HydrophobicContact CG2-CE2 4.21Å; I9-F11 PolarHBondContact O-N 3.13Å; I9-F11 VanDerWaalsContact O-N 3.13Å
12	A	45.1	Very low	53.5	Low	82 Å²	82	115.4 Å²	115.4	68%	0.678	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-62.5	130.7	159	0	0	0	0	0	107	M10	M10-A12 VanDerWaalsContact C-N 3.33Å; M10-A12 PolarHBondContact O-N 3.01Å
13	P	44.2	Very low	56.3	Low	111 Å²	111	105.5 Å²	105.5	72%	0.721	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-54.5	142.4	168.4	-16.8	29.1	0	0	0	108	G15	P13-G15 PolarHBondContact O-N 3.23Å
14	P	46.1	Very low	59.1	Low	122 Å²	122	99 Å²	99	79%	0.792	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-49.1	132.7	164	-17.3	29.6	0	0	0	107.4	G16	P14-G16 PolarHBondContact O-N 3.21Å
15	G	40.1	Very low	61.6	Low	70 Å²	70	92.5 Å²	92.5	72%	0.722	57%	0.567	S	S	*	*			trans	-45.8	128.9	176.5	0	0	0	0	0	109.1	P13 D17	P13-G15 PolarHBondContact O-N 3.23Å; G15-D17 PolarHBondContact O-N 2.94Å
16	G	38.2	Very low	64	Low	77 Å²	77	86 Å²	86	79%	0.794	53%	0.533	S	S	*	.			trans	-54.6	110.3	-171.4	0	0	0	0	0	110.3	P14 A18	P14-G16 PolarHBondContact O-N 3.21Å; G16-A18 PolarHBondContact O-N 3.28Å; G16-A18 VanDerWaalsContact O-N 3.08Å
17	D	47	Very low	66.4	Low	159 Å²	159	86.1 Å²	86.1	85%	0.85	52%	0.522	S	S	*	.			trans	-56.4	115.8	160	-83.4	-32.7	0	0	0	105.5	G15 S19	G15-D17 PolarHBondContact O-N 2.94Å; D17-S19 PolarHBondContact O-N 3.08Å
18	A	62.8	Low	68.8	Low	90 Å²	90	80.4 Å²	80.4	74%	0.744	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-53.4	131.5	171.7	0	0	0	0	0	107.7	G16	G16-A18 PolarHBondContact O-N 3.28Å; G16-A18 VanDerWaalsContact O-N 3.08Å
19	S	72.6	Confident	71.2	Confident	89 Å²	89	77.5 Å²	77.5	62%	0.622	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-52.8	134.1	179.5	-57.6	0	0	0	0	109.9	D17 Y24	D17-S19 PolarHBondContact O-N 3.08Å; S19-Y24 WeakPolarHBondContact CB-OH 3.34Å
20	P	86.4	Confident	73.5	Confident	58 Å²	58	74.2 Å²	74.2	38%	0.377	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-65.7	146.4	-173.1	27.1	-35	0	0	0	111.2	S22 Y24 Q133	P20-S22 PolarHBondContact O-N 2.96Å; P20-S22 VanDerWaalsContact O-N 3.08Å; P20-S22 PolarHBondContact O-OG 3.27Å; P20-Y24 PolarHBondContact O-OH 3.35Å; P20-Q133 HydrophobicContact CB-CG 4.42Å
21	I	96.2	Very high	76	Confident	4 Å²	4	66.9 Å²	66.9	2%	0.021	44%	0.44	C	S	.	.	S	Bend	trans	-62.6	114	175.8	-58.4	-62.6	0	0	0	109.9	Q84 L128 D130 Q133 F135	I21-Q84 VanDerWaalsContact CA-OE1 3.28Å; I21-Q84 HydrophobicContact CD1-CB 4.3Å; I21-L128 HydrophobicContact CD1-CD2 4.08Å; I21-L128 HydrophobicContact CD1-CG 4.44Å; I21-L128 HydrophobicContact CG2-CB 4.15Å; I21-L128 HydrophobicContact CG2-CD2 3.94Å; I21-L128 HydrophobicContact CG2-CG 3.77Å; I21-L128 WeakPolarHBondContact CG2-O 3.29Å; I21-D130 HydrophobicContact CG1-CB 4.15Å; I21-Q133 PolarHBondContact O-NE2 3.45Å; I21-F135 HydrophobicContact CG2-CD1 3.93Å; I21-F135 HydrophobicContact CG2-CE1 4.21Å
22	S	98	Very high	78.5	Confident	4 Å²	4	58.7 Å²	58.7	3%	0.028	41%	0.405	C	S	.	.			trans	-150.3	167.7	-171.5	-50.6	0	0	0	0	112.5	P20 Y24 Q84 Q133 F135	P20-S22 PolarHBondContact O-N 2.96Å; P20-S22 VanDerWaalsContact O-N 3.08Å; P20-S22 PolarHBondContact O-OG 3.27Å; S22-Y24 VanDerWaalsContact O-CD2 3.29Å; S22-Y24 WeakPolarHBondContact O-CD2 3.44Å; S22-Q84 PolarHBondContact O-NE2 3.25Å; S22-Q133 PolarHBondContact OG-NE2 3.48Å; S22-F135 WeakPolarHBondContact O-CD1 3.38Å
23	C	98.6	Very high	81.1	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	140.1	156.9	-56.9	0	0	0	0	109.6	A30 V31 F34 C168 V169 T170	C23-A30 CarbonylContact O-C 3.53Å; C23-A30 WeakPolarHBondContact O-CA 3.5Å; C23-V31 HydrophobicContact CB-CG2 3.89Å; C23-V31 PolarHBondContact O-N 3Å; C23-F34 HydrophobicContact CB-CD1 3.82Å; C23-F34 HydrophobicContact CB-CE1 3.77Å; C23-C168 HydrophobicContact CB-CB 3.94Å; C23-C168 WeakPolarHBondContact CB-SG 3.34Å; C23-C168 WeakPolarHBondContact SG-CB 3.27Å; C23-C168 CovalentContact SG-SG 2.03Å; C23-C168 PolarHBondContact SG-SG 3.31Å; C23-V169 PolarHBondContact SG-N 3.17Å; C23-T170 PolarHBondContact N-OG1 3.44Å; C23-T170 PolarHBondContact SG-OG1 3.17Å
24	Y	98.1	Very high	83.7	Confident	21 Å²	21	49.9 Å²	49.9	8%	0.082	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	142.4	176	-73.5	-93.9	0	0	0	110.5	S19 P20 S22 G28 D29 A30 A77 T81 Q84	S19-Y24 WeakPolarHBondContact CB-OH 3.34Å; P20-Y24 PolarHBondContact O-OH 3.35Å; S22-Y24 VanDerWaalsContact O-CD2 3.29Å; S22-Y24 WeakPolarHBondContact O-CD2 3.44Å; Y24-G28 WeakPolarHBondContact CD1-O 3.27Å; Y24-D29 WeakPolarHBondContact CA-O 3.29Å; Y24-A30 HydrophobicContact CD1-CB 4.35Å; Y24-A30 HydrophobicContact CE1-CB 3.88Å; Y24-A77 CarbonylContact O-C 3.49Å; Y24-A77 VanDerWaalsContact O-CA 3.24Å; Y24-A77 WeakPolarHBondContact O-CA 3.31Å; Y24-A77 VanDerWaalsContact O-CB 3.31Å; Y24-A77 WeakPolarHBondContact O-CB 3.42Å; Y24-T81 PolarHBondContact N-OG1 3.13Å; Y24-T81 PolarHBondContact O-OG1 3.08Å; Y24-Q84 VanDerWaalsContact CE2-CD 3.47Å; Y24-Q84 HydrophobicContact CE2-CG 4.44Å
25	N	97.4	Very high	86.2	Confident	12 Å²	12	44.1 Å²	44.1	6%	0.064	30%	0.303	C	S	.	.			trans	-92.3	-175.9	174.1	68	9.7	0	0	0	112	Q27 G28 D29 V31 L56 D58 Q80	N25-Q27 PolarHBondContact ND2-OE1 2.97Å; N25-Q27 PolarHBondContact O-N 3.43Å; N25-Q27 VanDerWaalsContact O-N 3.13Å; N25-Q27 WeakPolarHBondContact OD1-CB 3.5Å; N25-Q27 PolarHBondContact OD1-N 3.11Å; N25-Q27 VanDerWaalsContact OD1-N 3.08Å; N25-Q27 PolarHBondContact OD1-OE1 3.01Å; N25-G28 PolarHBondContact O-N 3.08Å; N25-G28 PolarHBondContact OD1-N 3.44Å; N25-D29 PolarHBondContact N-O 2.82Å; N25-D29 VanDerWaalsContact N-O 3.12Å; N25-D29 PolarHBondContact OD1-N 2.87Å; N25-D29 VanDerWaalsContact OD1-N 3.1Å; N25-D29 PolarHBondContact OD1-O 3.19Å; N25-V31 HydrophobicContact CB-CG1 3.91Å; N25-L56 HydrophobicContact CB-CD2 4.13Å; N25-D58 WeakPolarHBondContact CB-OD2 3.24Å; N25-D58 PolarHBondContact ND2-OD2 3.12Å; N25-D58 VanDerWaalsContact ND2-OD2 3.11Å; N25-Q80 PolarHBondContact O-NE2 3.14Å
26	D	96.8	Very high	89	Confident	16 Å²	16	40.8 Å²	40.8	9%	0.086	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-7.1	-178.8	-75	11.3	0	0	0	114.4	Y54 L56 G67 K68 A77	D26-Y54 VanDerWaalsContact CG-OH 3.24Å; D26-Y54 PolarHBondContact OD1-OH 2.88Å; D26-Y54 PolarHBondContact OD2-OH 2.89Å; D26-Y54 VanDerWaalsContact OD2-OH 3.1Å; D26-L56 HydrophobicContact CB-CD2 4.31Å; D26-G67 VanDerWaalsContact OD2-CA 3.28Å; D26-G67 WeakPolarHBondContact OD2-CA 3.27Å; D26-K68 HydrophobicContact CB-CB 4.35Å; D26-K68 HydrophobicContact CB-CD 4.05Å; D26-K68 HydrophobicContact CB-CG 4.08Å; D26-K68 PolarHBondContact OD2-N 3.45Å; D26-A77 VanDerWaalsContact OD1-CB 3.31Å; D26-A77 WeakPolarHBondContact OD1-CB 3.43Å; D26-A77 PolarHBondContact OD1-N 3.1Å
27	Q	95.8	Very high	91.9	Very high	102 Å²	102	37.1 Å²	37.1	48%	0.477	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-12.7	173.5	-69.1	68	16.6	0	0	111.3	N25 D29 K68	N25-Q27 PolarHBondContact ND2-OE1 2.97Å; N25-Q27 PolarHBondContact O-N 3.43Å; N25-Q27 VanDerWaalsContact O-N 3.13Å; N25-Q27 WeakPolarHBondContact OD1-CB 3.5Å; N25-Q27 PolarHBondContact OD1-N 3.11Å; N25-Q27 VanDerWaalsContact OD1-N 3.08Å; N25-Q27 PolarHBondContact OD1-OE1 3.01Å; Q27-D29 VanDerWaalsContact C-N 3.28Å; Q27-D29 HydrophobicContact CB-CB 4.5Å; Q27-D29 VanDerWaalsContact CB-OD2 3.29Å; Q27-D29 WeakPolarHBondContact CB-OD2 3.32Å; Q27-K68 VanDerWaalsContact CD-NZ 3.31Å; Q27-K68 VanDerWaalsContact NE2-CE 3.29Å
28	G	95.2	Very high	94.3	Very high	25 Å²	25	29.5 Å²	29.5	26%	0.258	19%	0.19	S	C	.	.	S	Bend	trans	76.3	17.6	-168.1	0	0	0	0	0	113.5	Y24 N25 Q80	Y24-G28 WeakPolarHBondContact CD1-O 3.27Å; N25-G28 PolarHBondContact O-N 3.08Å; N25-G28 PolarHBondContact OD1-N 3.44Å; G28-Q80 VanDerWaalsContact N-NE2 3.18Å
29	D	96.3	Very high	96	Very high	97 Å²	97	25.4 Å²	25.4	52%	0.519	16%	0.155	S	C	.	.			trans	-87	138.3	173.5	-62.7	-42.6	0	0	0	109.8	Y24 N25 Q27 V31	Y24-D29 WeakPolarHBondContact CA-O 3.29Å; N25-D29 PolarHBondContact N-O 2.82Å; N25-D29 VanDerWaalsContact N-O 3.12Å; N25-D29 PolarHBondContact OD1-N 2.87Å; N25-D29 VanDerWaalsContact OD1-N 3.1Å; N25-D29 PolarHBondContact OD1-O 3.19Å; Q27-D29 VanDerWaalsContact C-N 3.28Å; Q27-D29 HydrophobicContact CB-CB 4.5Å; Q27-D29 VanDerWaalsContact CB-OD2 3.29Å; Q27-D29 WeakPolarHBondContact CB-OD2 3.32Å; D29-V31 PolarHBondContact O-N 2.84Å
30	A	97.6	Very high	97.1	Very high	57 Å²	57	21.1 Å²	21.1	47%	0.471	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	129.5	171.8	0	0	0	0	0	109.7	C23 Y24	C23-A30 CarbonylContact O-C 3.53Å; C23-A30 WeakPolarHBondContact O-CA 3.5Å; Y24-A30 HydrophobicContact CD1-CB 4.35Å; Y24-A30 HydrophobicContact CE1-CB 3.88Å
31	V	97.9	Very high	97.5	Very high	18 Å²	18	22.1 Å²	22.1	11%	0.109	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	152.1	-179.6	-63.6	0	0	0	0	111.7	C23 N25 D29 W33 F34 D58 T170	C23-V31 HydrophobicContact CB-CG2 3.89Å; C23-V31 PolarHBondContact O-N 3Å; N25-V31 HydrophobicContact CB-CG1 3.91Å; D29-V31 PolarHBondContact O-N 2.84Å; V31-W33 VanDerWaalsContact C-N 3.34Å; V31-F34 HydrophobicContact CG2-CD1 3.97Å; V31-D58 HydrophobicContact CG1-CB 4.49Å; V31-T170 PolarHBondContact O-OG1 3.23Å
32	D	98.5	Very high	97.2	Very high	18 Å²	18	23.6 Å²	23.6	10%	0.096	13%	0.131	C	C	.	.	S	Bend	trans	-65.5	-39.6	178.7	-171.1	31.4	0	0	0	111.7	K59 T170 S235 G237 T239	D32-K59 HydrophobicContact CB-CB 4.41Å; D32-K59 HydrophobicContact CB-CD 3.53Å; D32-K59 WeakPolarHBondContact OD2-CD 3.36Å; D32-K59 IonicContact OD2-NZ 2.8Å; D32-K59 PolarHBondContact OD2-NZ 2.83Å; D32-T170 PolarHBondContact O-N 3.28Å; D32-S235 WeakPolarHBondContact OD1-CB 3Å; D32-S235 PolarHBondContact OD1-OG 3.02Å; D32-S235 PolarHBondContact OD2-OG 2.79Å; D32-G237 VanDerWaalsContact CG-CA 3.44Å; D32-G237 VanDerWaalsContact OD1-CA 3.24Å; D32-G237 WeakPolarHBondContact OD1-CA 3.42Å; D32-G237 PolarHBondContact OD1-N 3.29Å; D32-G237 WeakPolarHBondContact OD2-CA 3.39Å; D32-T239 PolarHBondContact OD2-OG1 3.31Å
33	W	98.8	Very high	96.2	Very high	9 Å²	9	26.3 Å²	26.3	3%	0.034	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	158.7	175.6	51	-97.3	0	0	0	110.5	V31 Y35 K59 C168 V169 T239 F241 L350 V355	V31-W33 VanDerWaalsContact C-N 3.34Å; W33-Y35 AromaticContact CE3-CD2 3.85Å; W33-Y35 HydrophobicContact CE3-CD2 3.85Å; W33-Y35 AromaticContact CE3-CE2 3.8Å; W33-Y35 HydrophobicContact CE3-CE2 3.8Å; W33-Y35 AromaticContact CZ3-CD2 3.76Å; W33-Y35 HydrophobicContact CZ3-CD2 3.76Å; W33-Y35 AromaticContact CZ3-CE2 3.8Å; W33-Y35 HydrophobicContact CZ3-CE2 3.8Å; W33-K59 HydrophobicContact CD2-CB 4.16Å; W33-K59 HydrophobicContact CH2-CB 4.45Å; W33-K59 HydrophobicContact CZ2-CB 3.9Å; W33-K59 HydrophobicContact CZ2-CG 4.11Å; W33-K59 PolarHBondContact O-N 3.39Å; W33-C168 CarbonylContact C-O 3.46Å; W33-C168 WeakPolarHBondContact CA-O 3.46Å; W33-C168 WeakPolarHBondContact CB-O 3.44Å; W33-V169 HydrophobicContact CB-CB 4.39Å; W33-V169 HydrophobicContact CB-CG1 4.36Å; W33-V169 HydrophobicContact CB-CG2 4.05Å; W33-T239 PolarHBondContact NE1-OG1 3.49Å; W33-T239 VanDerWaalsContact NE1-OG1 3.12Å; W33-F241 HydrophobicContact CB-CE2 4.43Å; W33-F241 HydrophobicContact CB-CZ 3.86Å; W33-F241 AromaticContact CD1-CE2 3.89Å; W33-F241 AromaticContact CD1-CZ 3.6Å; W33-F241 HydrophobicContact CD2-CZ 4.17Å; W33-F241 HydrophobicContact CG-CE2 4.25Å; W33-F241 AromaticContact CG-CZ 3.61Å; W33-F241 HydrophobicContact CG-CZ 3.61Å; W33-L350 HydrophobicContact CH2-CD2 4.27Å; W33-L350 HydrophobicContact CZ2-CD2 4.11Å; W33-V355 HydrophobicContact CH2-CG2 3.66Å; W33-V355 HydrophobicContact CZ3-CG2 3.89Å
34	F	98.9	Very high	94.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	154.9	165.8	68.5	-103.5	0	0	0	111.8	C23 V31 L36 L56 L57 D58 A77 T81 L137 I167 C168	C23-F34 HydrophobicContact CB-CD1 3.82Å; C23-F34 HydrophobicContact CB-CE1 3.77Å; V31-F34 HydrophobicContact CG2-CD1 3.97Å; F34-L36 HydrophobicContact CD2-CB 4.1Å; F34-L36 HydrophobicContact CE2-CB 4.04Å; F34-L56 HydrophobicContact CB-CD1 4Å; F34-L56 HydrophobicContact CD2-CD1 3.88Å; F34-L56 HydrophobicContact CG-CD1 4.05Å; F34-L57 CarbonylContact C-O 3.58Å; F34-L57 WeakPolarHBondContact CA-O 3.31Å; F34-D58 HydrophobicContact CB-CB 3.84Å; F34-A77 HydrophobicContact CE1-CB 4.5Å; F34-A77 HydrophobicContact CZ-CB 4.42Å; F34-T81 HydrophobicContact CE1-CG2 4.4Å; F34-T81 WeakPolarHBondContact CE1-OG1 3.36Å; F34-L137 HydrophobicContact CZ-CD1 4.38Å; F34-I167 WeakPolarHBondContact O-CA 3.43Å; F34-C168 HydrophobicContact CD1-CB 3.75Å; F34-C168 HydrophobicContact CD2-CB 4.18Å; F34-C168 HydrophobicContact CE1-CB 3.33Å; F34-C168 HydrophobicContact CE2-CB 3.81Å; F34-C168 HydrophobicContact CG-CB 4.15Å; F34-C168 HydrophobicContact CZ-CB 3.36Å; F34-C168 PolarHBondContact N-O 2.81Å; F34-C168 PolarHBondContact O-N 3.16Å
35	Y	98.9	Very high	92.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	135.6	162.9	-66.3	-96.5	0	0	0	108.7	W33 L57 F166 I167 V329 V331 L350 V355 Y359	W33-Y35 AromaticContact CE3-CD2 3.85Å; W33-Y35 HydrophobicContact CE3-CD2 3.85Å; W33-Y35 AromaticContact CE3-CE2 3.8Å; W33-Y35 HydrophobicContact CE3-CE2 3.8Å; W33-Y35 AromaticContact CZ3-CD2 3.76Å; W33-Y35 HydrophobicContact CZ3-CD2 3.76Å; W33-Y35 AromaticContact CZ3-CE2 3.8Å; W33-Y35 HydrophobicContact CZ3-CE2 3.8Å; Y35-L57 HydrophobicContact CD2-CD2 4.49Å; Y35-L57 PolarHBondContact N-O 3.26Å; Y35-L57 PolarHBondContact O-N 2.74Å; Y35-F166 WeakPolarHBondContact CA-O 3.24Å; Y35-I167 HydrophobicContact CD1-CB 4.26Å; Y35-I167 HydrophobicContact CD1-CD1 4.43Å; Y35-I167 HydrophobicContact CD1-CG1 4.21Å; Y35-I167 HydrophobicContact CE1-CB 4.19Å; Y35-I167 HydrophobicContact CE1-CD1 3.6Å; Y35-I167 HydrophobicContact CE1-CG1 3.87Å; Y35-I167 HydrophobicContact CE2-CD1 4.43Å; Y35-I167 WeakPolarHBondContact OH-CD1 3.25Å; Y35-V329 HydrophobicContact CE1-CG1 4.36Å; Y35-V331 HydrophobicContact CD1-CG2 3.79Å; Y35-V331 HydrophobicContact CE1-CB 4.22Å; Y35-V331 HydrophobicContact CE1-CG2 3.65Å; Y35-L350 HydrophobicContact CE2-CD2 4.06Å; Y35-L350 VanDerWaalsContact OH-CB 3.25Å; Y35-L350 WeakPolarHBondContact OH-CB 3.24Å; Y35-V355 HydrophobicContact CD2-CG1 4.08Å; Y35-V355 HydrophobicContact CD2-CG2 4.32Å; Y35-V355 HydrophobicContact CE1-CG1 4.33Å; Y35-V355 HydrophobicContact CE2-CG1 3.68Å; Y35-V355 HydrophobicContact CE2-CG2 3.98Å; Y35-Y359 AromaticContact CD1-CE2 3.9Å; Y35-Y359 HydrophobicContact CD1-CE2 3.9Å; Y35-Y359 WeakPolarHBondContact CD1-OH 3.36Å; Y35-Y359 HydrophobicContact CE1-CE2 4.38Å; Y35-Y359 HydrophobicContact CG-CE2 4.25Å
36	L	98.8	Very high	91.5	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	128.6	172.4	-177.4	156.7	0	0	0	109	F34 K38 Y54 L55 L56 V71 A77 L78 N165 F166	F34-L36 HydrophobicContact CD2-CB 4.1Å; F34-L36 HydrophobicContact CE2-CB 4.04Å; L36-K38 HydrophobicContact CD2-CB 4.28Å; L36-Y54 HydrophobicContact CD1-CD1 4.43Å; L36-Y54 HydrophobicContact CD1-CD2 3.43Å; L36-Y54 VanDerWaalsContact CD1-CD2 3.43Å; L36-Y54 HydrophobicContact CD1-CE2 3.62Å; L36-Y54 HydrophobicContact CD1-CG 3.86Å; L36-Y54 HydrophobicContact CD2-CD2 4.23Å; L36-Y54 HydrophobicContact CD2-CG 4.04Å; L36-Y54 HydrophobicContact CG-CD2 3.53Å; L36-Y54 HydrophobicContact CG-CE2 4.22Å; L36-Y54 HydrophobicContact CG-CG 3.87Å; L36-L55 CarbonylContact C-O 3.59Å; L36-L55 WeakPolarHBondContact CA-O 3.31Å; L36-L56 HydrophobicContact CB-CD1 4.35Å; L36-V71 HydrophobicContact CD2-CG2 4.44Å; L36-A77 HydrophobicContact CD1-CB 4.45Å; L36-L78 HydrophobicContact CD1-CB 4.17Å; L36-N165 CarbonylContact O-C 3.59Å; L36-N165 WeakPolarHBondContact O-CA 3.4Å; L36-F166 HydrophobicContact CB-CB 4.13Å; L36-F166 HydrophobicContact CB-CD2 4.39Å; L36-F166 HydrophobicContact CD2-CD2 3.48Å; L36-F166 VanDerWaalsContact CD2-CD2 3.48Å; L36-F166 HydrophobicContact CD2-CE2 3.94Å; L36-F166 HydrophobicContact CD2-CG 4.34Å; L36-F166 HydrophobicContact CG-CD2 4.5Å; L36-F166 PolarHBondContact N-O 2.7Å; L36-F166 PolarHBondContact O-N 2.91Å
37	Y	98.7	Very high	90.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	100.8	176.7	-156	-54.6	0	0	0	109	L39 Y54 L55 W64 P297 F303 D308 S310 W312 Y359	Y37-L39 HydrophobicContact CD1-CD2 4.45Å; Y37-L39 PolarHBondContact O-N 2.88Å; Y37-Y54 CarbonylContact O-C 3.51Å; Y37-Y54 VanDerWaalsContact O-CA 3.27Å; Y37-Y54 WeakPolarHBondContact O-CA 3.34Å; Y37-Y54 WeakPolarHBondContact O-CB 3.34Å; Y37-L55 PolarHBondContact N-O 2.91Å; Y37-L55 PolarHBondContact O-N 2.83Å; Y37-W64 HydrophobicContact CD2-CZ2 4.38Å; Y37-P297 HydrophobicContact CD1-CG 4.25Å; Y37-P297 HydrophobicContact CD2-CB 4.31Å; Y37-P297 HydrophobicContact CE1-CG 4.22Å; Y37-P297 HydrophobicContact CE2-CB 4.44Å; Y37-P297 HydrophobicContact CG-CB 4.48Å; Y37-P297 HydrophobicContact CG-CG 4.45Å; Y37-F303 HydrophobicContact CE1-CZ 4.13Å; Y37-D308 VanDerWaalsContact CE1-OD2 3.25Å; Y37-D308 WeakPolarHBondContact CE1-OD2 3.36Å; Y37-D308 VanDerWaalsContact CZ-OD2 3.29Å; Y37-D308 VanDerWaalsContact OH-CG 3.23Å; Y37-D308 PolarHBondContact OH-OD1 3.48Å; Y37-D308 PolarHBondContact OH-OD2 3.32Å; Y37-S310 PolarHBondContact OH-OG 3.05Å; Y37-S310 VanDerWaalsContact OH-OG 3.13Å; Y37-W312 AromaticContact CE2-NE1 3.57Å; Y37-W312 AromaticContact CZ-NE1 4Å; Y37-Y359 HydrophobicContact CD2-CE1 4.29Å; Y37-Y359 HydrophobicContact CE2-CE1 4.44Å
38	K	98.3	Very high	89.6	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	123.2	174	-173.3	-146.1	73.3	79.5	0	109.1	L36 G51 V71 Y155 G159 V160 N162 G163 Q164	L36-K38 HydrophobicContact CD2-CB 4.28Å; K38-G51 WeakPolarHBondContact CD-O 3.44Å; K38-G51 PolarHBondContact NZ-O 2.82Å; K38-V71 HydrophobicContact CD-CG1 4.06Å; K38-V71 HydrophobicContact CG-CB 4.26Å; K38-V71 HydrophobicContact CG-CG1 4.15Å; K38-V71 HydrophobicContact CG-CG2 4.33Å; K38-Y155 HydrophobicContact CD-CE1 3.99Å; K38-Y155 VanDerWaalsContact CD-OH 3.3Å; K38-Y155 WeakPolarHBondContact CD-OH 3.16Å; K38-G159 WeakPolarHBondContact CE-O 3.28Å; K38-G159 PolarHBondContact NZ-O 3.39Å; K38-V160 PolarHBondContact NZ-O 3.09Å; K38-N162 WeakPolarHBondContact CE-O 3.37Å; K38-N162 PolarHBondContact NZ-O 3.08Å; K38-G163 CarbonylContact O-C 3.45Å; K38-G163 WeakPolarHBondContact O-CA 3.37Å; K38-Q164 HydrophobicContact CB-CB 4.32Å; K38-Q164 PolarHBondContact N-O 3.17Å; K38-Q164 PolarHBondContact O-N 3.08Å
39	L	97.9	Very high	89.3	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.016	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-74.3	146.1	-177	-61	176.2	0	0	0	110.8	Y37 F49 G51 T53 L55 P297 T300 F301 F303	Y37-L39 HydrophobicContact CD1-CD2 4.45Å; Y37-L39 PolarHBondContact O-N 2.88Å; L39-F49 HydrophobicContact CD1-CD1 4.07Å; L39-F49 HydrophobicContact CD1-CE1 4.2Å; L39-G51 WeakPolarHBondContact O-CA 3.3Å; L39-T53 PolarHBondContact N-O 2.89Å; L39-L55 HydrophobicContact CD1-CG 4.47Å; L39-L55 HydrophobicContact CD2-CD1 4.12Å; L39-L55 HydrophobicContact CD2-CG 4.32Å; L39-L55 HydrophobicContact CG-CG 4.5Å; L39-P297 HydrophobicContact CD2-CG 3.64Å; L39-T300 HydrophobicContact CD1-CG2 3.81Å; L39-F301 HydrophobicContact CB-CE1 4.06Å; L39-F301 HydrophobicContact CB-CZ 4.44Å; L39-F301 HydrophobicContact CD1-CE1 4.07Å; L39-F301 HydrophobicContact CG-CE1 4.49Å; L39-F303 HydrophobicContact CD2-CE1 4.38Å
40	P	97	Very high	89	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-64.9	165.1	174	25.5	-30.5	0	0	0	111.6	E42 F301 F303 Q307	P40-E42 PolarHBondContact O-N 3.43Å; P40-F301 HydrophobicContact CG-CE2 4.23Å; P40-F301 HydrophobicContact CG-CZ 3.92Å; P40-F303 HydrophobicContact CG-CB 4.09Å; P40-F303 HydrophobicContact CG-CD1 3.59Å; P40-F303 HydrophobicContact CG-CD2 3.79Å; P40-F303 HydrophobicContact CG-CE1 3.87Å; P40-F303 HydrophobicContact CG-CE2 4.08Å; P40-F303 HydrophobicContact CG-CG 3.54Å; P40-F303 HydrophobicContact CG-CZ 4.11Å; P40-Q307 HydrophobicContact CB-CB 4.32Å; P40-Q307 WeakPolarHBondContact CB-O 3.35Å
41	K	94.8	Very high	88.9	Confident	78 Å²	78	46 Å²	46	34%	0.339	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-65.3	126	166.2	-177	168.1	-175.8	161.7	0	109.2	G43 N161	K41-G43 PolarHBondContact O-N 3.09Å; K41-N161 PolarHBondContact N-O 2.66Å
42	E	89.4	Confident	88.7	Confident	36 Å²	36	47.7 Å²	47.7	17%	0.168	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-71	125.8	177	-175.1	-176.4	-141.7	0	0	110.1	P40 H47 E48 F49 F301	P40-E42 PolarHBondContact O-N 3.43Å; E42-H47 PolarHBondContact O-ND1 3.38Å; E42-E48 PolarHBondContact OE2-N 2.86Å; E42-F49 HydrophobicContact CB-CB 3.96Å; E42-F49 HydrophobicContact CB-CD2 4.26Å; E42-F49 PolarHBondContact N-O 2.94Å; E42-F301 HydrophobicContact CB-CE2 4.15Å; E42-F301 HydrophobicContact CB-CZ 4.25Å; E42-F301 HydrophobicContact CG-CD2 4.34Å; E42-F301 HydrophobicContact CG-CE2 4.27Å
43	G	76.7	Confident	88.6	Confident	60 Å²	60	49 Å²	49	62%	0.619	26%	0.257	S	S	*	.	P	Polyproline II helix	trans	-85.6	134.6	168.4	0	0	0	0	0	109.8	K41	K41-G43 PolarHBondContact O-N 3.09Å
44	G	69.2	Low	88.6	Confident	45 Å²	45	48.8 Å²	48.8	46%	0.464	26%	0.256	S	S	.	.	S	Bend	trans	149.5	-168.6	-179.5	0	0	0	0	0	112.4	H47	G44-H47 PolarHBondContact O-CD2 3.16Å; G44-H47 PolarHBondContact O-CE1 3.3Å; G44-H47 PolarHBondContact O-NE2 2.8Å
45	R	58.6	Low	88.6	Confident	252 Å²	252	49 Å²	49	95%	0.951	26%	0.257	S	S	*	.	S	Bend	trans	-89.8	-24.7	-179.7	-69.7	-177	177.6	175.2	-0.3	113.6
46	T	66.6	Low	88.6	Confident	109 Å²	109	49.1 Å²	49.1	67%	0.669	26%	0.258	S	S	*	.	S	Bend	trans	-84	-29.1	-175.1	44.1	0	0	0	0	112.6	E48	T46-E48 PolarHBondContact O-N 2.84Å; T46-E48 VanDerWaalsContact O-N 3.13Å
47	H	70.9	Confident	88.6	Confident	91 Å²	91	49.2 Å²	49.2	42%	0.421	26%	0.258	S	S	.	.			trans	42.8	45.3	176.3	-68.9	-61.7	0	0	0	113.1	E42 G44 Q50	E42-H47 PolarHBondContact O-ND1 3.38Å; G44-H47 PolarHBondContact O-CD2 3.16Å; G44-H47 PolarHBondContact O-CE1 3.3Å; G44-H47 PolarHBondContact O-NE2 2.8Å; H47-Q50 PolarHBondContact O-NE2 3.02Å
48	E	82.9	Confident	88.5	Confident	144 Å²	144	50 Å²	50	67%	0.673	26%	0.263	S	S	*	.			trans	-71.6	-42.2	-176	-174	170.9	178.8	0	0	110.3	E42 T46	E42-E48 PolarHBondContact OE2-N 2.86Å; T46-E48 PolarHBondContact O-N 2.84Å; T46-E48 VanDerWaalsContact O-N 3.13Å
49	F	87.6	Confident	88.3	Confident	26 Å²	26	54.3 Å²	54.3	11%	0.114	28%	0.281	C	S	.	.			trans	-97.5	111.7	178.7	-54.7	-82	0	0	0	111.4	L39 E42 G51 T53 T300 F301	L39-F49 HydrophobicContact CD1-CD1 4.07Å; L39-F49 HydrophobicContact CD1-CE1 4.2Å; E42-F49 HydrophobicContact CB-CB 3.96Å; E42-F49 HydrophobicContact CB-CD2 4.26Å; E42-F49 PolarHBondContact N-O 2.94Å; F49-G51 VanDerWaalsContact C-N 3.29Å; F49-G51 PolarHBondContact O-N 3.48Å; F49-T53 HydrophobicContact CD1-CG2 4.39Å; F49-T300 HydrophobicContact CD1-CG2 4.43Å; F49-T300 HydrophobicContact CE1-CG2 3.48Å; F49-T300 VanDerWaalsContact CE1-CG2 3.48Å; F49-T300 HydrophobicContact CE2-CG2 3.98Å; F49-T300 HydrophobicContact CZ-CG2 3.22Å; F49-F301 HydrophobicContact CB-CE1 3.83Å; F49-F301 HydrophobicContact CB-CZ 4.2Å; F49-F301 HydrophobicContact CD1-CD1 4.42Å; F49-F301 HydrophobicContact CD1-CE1 4.1Å; F49-F301 AromaticContact CD2-CD1 3.35Å; F49-F301 HydrophobicContact CD2-CD1 3.35Å; F49-F301 AromaticContact CD2-CE1 3.44Å; F49-F301 HydrophobicContact CD2-CE1 3.44Å; F49-F301 VanDerWaalsContact CD2-CE1 3.44Å; F49-F301 HydrophobicContact CD2-CG 4.13Å; F49-F301 HydrophobicContact CD2-CZ 4.29Å; F49-F301 HydrophobicContact CE2-CB 4.48Å; F49-F301 AromaticContact CE2-CD1 3.53Å; F49-F301 HydrophobicContact CE2-CD1 3.53Å; F49-F301 HydrophobicContact CE2-CE1 4.06Å; F49-F301 HydrophobicContact CE2-CG 4.27Å; F49-F301 AromaticContact CG-CD1 3.86Å; F49-F301 HydrophobicContact CG-CD1 3.86Å; F49-F301 AromaticContact CG-CE1 3.48Å; F49-F301 HydrophobicContact CG-CE1 3.48Å; F49-F301 VanDerWaalsContact CG-CE1 3.48Å; F49-F301 HydrophobicContact CG-CZ 4.3Å; F49-F301 HydrophobicContact CZ-CD1 4.16Å
50	Q	92	Very high	88	Confident	77 Å²	77	57.9 Å²	57.9	36%	0.36	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-85.3	-1.8	-179.2	-65.5	-61.3	-35.3	0	0	113.9	H47 V160	H47-Q50 PolarHBondContact O-NE2 3.02Å; Q50-V160 WeakPolarHBondContact O-CG1 3.08Å
51	G	93.9	Very high	87.9	Confident	0 Å²	0	59 Å²	59	0%	0	33%	0.326	C	S	.	.	S	Bend	trans	91.8	12.9	179.2	0	0	0	0	0	114.3	K38 L39 F49 V160	K38-G51 WeakPolarHBondContact CD-O 3.44Å; K38-G51 PolarHBondContact NZ-O 2.82Å; L39-G51 WeakPolarHBondContact O-CA 3.3Å; F49-G51 VanDerWaalsContact C-N 3.29Å; F49-G51 PolarHBondContact O-N 3.48Å; G51-V160 CarbonylContact C-O 3.57Å; G51-V160 VanDerWaalsContact CA-O 3.25Å; G51-V160 WeakPolarHBondContact CA-O 3.35Å; G51-V160 WeakPolarHBondContact O-CA 3.28Å
52	D	94.5	Very high	87.9	Confident	53 Å²	53	64.2 Å²	64.2	28%	0.283	35%	0.352	S	S	.	.			trans	-116.4	-10.9	179.9	59.1	-10.5	0	0	0	113.2	T70 V71	D52-T70 HydrophobicContact CB-CG2 4.36Å; D52-T70 CarbonylContact O-C 3.55Å; D52-T70 WeakPolarHBondContact O-CA 3.48Å; D52-V71 PolarHBondContact O-N 3.04Å
53	T	96.9	Very high	88.3	Confident	46 Å²	46	63.4 Å²	63.4	28%	0.282	35%	0.353	S	S	.	.			trans	-76.1	149.8	170	56.4	0	0	0	0	111.6	L39 F49	L39-T53 PolarHBondContact N-O 2.89Å; F49-T53 HydrophobicContact CD1-CG2 4.39Å
54	Y	98.4	Very high	89.3	Confident	5 Å²	5	62.2 Å²	62.2	2%	0.02	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	163.2	175.5	61.6	-88	0	0	0	112.3	D26 L36 Y37 L56 G67 V69 V71 G76	D26-Y54 VanDerWaalsContact CG-OH 3.24Å; D26-Y54 PolarHBondContact OD1-OH 2.88Å; D26-Y54 PolarHBondContact OD2-OH 2.89Å; D26-Y54 VanDerWaalsContact OD2-OH 3.1Å; L36-Y54 HydrophobicContact CD1-CD1 4.43Å; L36-Y54 HydrophobicContact CD1-CD2 3.43Å; L36-Y54 VanDerWaalsContact CD1-CD2 3.43Å; L36-Y54 HydrophobicContact CD1-CE2 3.62Å; L36-Y54 HydrophobicContact CD1-CG 3.86Å; L36-Y54 HydrophobicContact CD2-CD2 4.23Å; L36-Y54 HydrophobicContact CD2-CG 4.04Å; L36-Y54 HydrophobicContact CG-CD2 3.53Å; L36-Y54 HydrophobicContact CG-CE2 4.22Å; L36-Y54 HydrophobicContact CG-CG 3.87Å; Y37-Y54 CarbonylContact O-C 3.51Å; Y37-Y54 VanDerWaalsContact O-CA 3.27Å; Y37-Y54 WeakPolarHBondContact O-CA 3.34Å; Y37-Y54 WeakPolarHBondContact O-CB 3.34Å; Y54-L56 HydrophobicContact CD2-CB 4.43Å; Y54-L56 HydrophobicContact CE2-CB 4.29Å; Y54-G67 PolarHBondContact O-N 2.8Å; Y54-V69 WeakPolarHBondContact CE1-O 3.25Å; Y54-V71 HydrophobicContact CD1-CB 3.98Å; Y54-V71 HydrophobicContact CD1-CG2 4.5Å; Y54-G76 WeakPolarHBondContact OH-CA 3.37Å
55	L	98.6	Very high	90.7	Very high	4 Å²	4	63.3 Å²	63.3	2%	0.021	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	142.3	165.7	-57.7	173.6	0	0	0	109	L36 Y37 L39 W64 T65 E66 P297	L36-L55 CarbonylContact C-O 3.59Å; L36-L55 WeakPolarHBondContact CA-O 3.31Å; Y37-L55 PolarHBondContact N-O 2.91Å; Y37-L55 PolarHBondContact O-N 2.83Å; L39-L55 HydrophobicContact CD1-CG 4.47Å; L39-L55 HydrophobicContact CD2-CD1 4.12Å; L39-L55 HydrophobicContact CD2-CG 4.32Å; L39-L55 HydrophobicContact CG-CG 4.5Å; L55-W64 HydrophobicContact CB-CB 4.23Å; L55-W64 HydrophobicContact CB-CD2 4.01Å; L55-W64 HydrophobicContact CB-CE3 3.6Å; L55-W64 HydrophobicContact CB-CG 4.3Å; L55-W64 HydrophobicContact CB-CZ3 4.29Å; L55-W64 HydrophobicContact CD1-CB 4.17Å; L55-W64 HydrophobicContact CD1-CD2 4.31Å; L55-W64 HydrophobicContact CD1-CG 4.07Å; L55-T65 CarbonylContact C-O 3.25Å; L55-T65 VanDerWaalsContact CA-O 3.3Å; L55-T65 WeakPolarHBondContact CA-O 3.38Å; L55-E66 HydrophobicContact CD2-CG 4.09Å; L55-P297 VanDerWaalsContact CD1-C 3.5Å; L55-P297 HydrophobicContact CD1-CB 3.83Å; L55-P297 HydrophobicContact CD1-CG 4.11Å; L55-P297 WeakPolarHBondContact CD1-O 3.15Å
56	L	98.7	Very high	92.5	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.016	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	142.4	176.7	-171.8	67.6	0	0	0	109.6	N25 D26 F34 L36 Y54 T65 A77	N25-L56 HydrophobicContact CB-CD2 4.13Å; D26-L56 HydrophobicContact CB-CD2 4.31Å; F34-L56 HydrophobicContact CB-CD1 4Å; F34-L56 HydrophobicContact CD2-CD1 3.88Å; F34-L56 HydrophobicContact CG-CD1 4.05Å; L36-L56 HydrophobicContact CB-CD1 4.35Å; Y54-L56 HydrophobicContact CD2-CB 4.43Å; Y54-L56 HydrophobicContact CE2-CB 4.29Å; L56-T65 PolarHBondContact N-O 3.49Å; L56-T65 PolarHBondContact O-N 3.2Å; L56-T65 PolarHBondContact O-OG1 3.48Å; L56-A77 HydrophobicContact CD1-CB 3.79Å; L56-A77 HydrophobicContact CD2-CB 4.17Å
57	L	98.6	Very high	93.9	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	104.1	172.2	171.5	71.1	0	0	0	108	F34 Y35 G63 W64 T354 V355 A358	F34-L57 CarbonylContact C-O 3.58Å; F34-L57 WeakPolarHBondContact CA-O 3.31Å; Y35-L57 HydrophobicContact CD2-CD2 4.49Å; Y35-L57 PolarHBondContact N-O 3.26Å; Y35-L57 PolarHBondContact O-N 2.74Å; L57-G63 VanDerWaalsContact CD1-C 3.49Å; L57-G63 WeakPolarHBondContact CD1-O 3.44Å; L57-W64 HydrophobicContact CB-CD2 4.25Å; L57-W64 HydrophobicContact CB-CE3 3.52Å; L57-W64 HydrophobicContact CB-CH2 4.22Å; L57-W64 HydrophobicContact CB-CZ3 3.5Å; L57-T354 HydrophobicContact CD1-CG2 4.1Å; L57-V355 HydrophobicContact CD2-CB 4.1Å; L57-V355 HydrophobicContact CD2-CG1 4.1Å; L57-V355 HydrophobicContact CD2-CG2 3.8Å; L57-V355 HydrophobicContact CG-CG2 4.45Å; L57-A358 HydrophobicContact CD2-CB 3.96Å
58	D	97.1	Very high	95.2	Very high	18 Å²	18	55.9 Å²	55.9	10%	0.096	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	174.1	179.6	64.9	13.4	0	0	0	112.1	N25 V31 F34 G60 S61	N25-D58 WeakPolarHBondContact CB-OD2 3.24Å; N25-D58 PolarHBondContact ND2-OD2 3.12Å; N25-D58 VanDerWaalsContact ND2-OD2 3.11Å; V31-D58 HydrophobicContact CG1-CB 4.49Å; F34-D58 HydrophobicContact CB-CB 3.84Å; D58-G60 PolarHBondContact O-N 3.1Å; D58-G60 VanDerWaalsContact O-N 3.17Å; D58-S61 PolarHBondContact N-OG 2.8Å; D58-S61 VanDerWaalsContact O-CB 3.25Å; D58-S61 WeakPolarHBondContact O-CB 3.35Å; D58-S61 PolarHBondContact O-N 2.82Å; D58-S61 VanDerWaalsContact O-N 3.09Å; D58-S61 PolarHBondContact O-OG 3.17Å; D58-S61 PolarHBondContact OD1-OG 2.71Å
59	K	93.5	Very high	95.9	Very high	90 Å²	90	51.1 Å²	51.1	39%	0.391	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	120.7	177.1	-173.4	173.8	-173.9	173.6	0	110.8	D32 W33 G237 T239	D32-K59 HydrophobicContact CB-CB 4.41Å; D32-K59 HydrophobicContact CB-CD 3.53Å; D32-K59 WeakPolarHBondContact OD2-CD 3.36Å; D32-K59 IonicContact OD2-NZ 2.8Å; D32-K59 PolarHBondContact OD2-NZ 2.83Å; W33-K59 HydrophobicContact CD2-CB 4.16Å; W33-K59 HydrophobicContact CH2-CB 4.45Å; W33-K59 HydrophobicContact CZ2-CB 3.9Å; W33-K59 HydrophobicContact CZ2-CG 4.11Å; W33-K59 PolarHBondContact O-N 3.39Å; K59-G237 PolarHBondContact NZ-O 2.53Å; K59-T239 PolarHBondContact NZ-OG1 3.26Å
60	G	92.5	Very high	96.3	Very high	77 Å²	77	52.4 Å²	52.4	79%	0.794	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.7	-9.6	-179.9	0	0	0	0	0	114	D58	D58-G60 PolarHBondContact O-N 3.1Å; D58-G60 VanDerWaalsContact O-N 3.17Å
61	S	94.8	Very high	96.6	Very high	24 Å²	24	48.9 Å²	48.9	17%	0.168	27%	0.274	C	S	.	.			trans	-62.9	152.9	169.2	-74.9	0	0	0	0	112	D58 T354	D58-S61 PolarHBondContact N-OG 2.8Å; D58-S61 VanDerWaalsContact O-CB 3.25Å; D58-S61 WeakPolarHBondContact O-CB 3.35Å; D58-S61 PolarHBondContact O-N 2.82Å; D58-S61 VanDerWaalsContact O-N 3.09Å; D58-S61 PolarHBondContact O-OG 3.17Å; D58-S61 PolarHBondContact OD1-OG 2.71Å; S61-T354 WeakPolarHBondContact O-CG2 3.48Å
62	E	95.4	Very high	96.8	Very high	188 Å²	188	52.6 Å²	52.6	88%	0.879	29%	0.294	S	S	*	.	S	Bend	trans	-93.6	-3.6	174.6	-62.3	-169.9	160	0	0	113.4	T354	E62-T354 WeakPolarHBondContact O-CG2 3.33Å
63	G	96.8	Very high	97	Very high	19 Å²	19	52.6 Å²	52.6	20%	0.196	29%	0.294	C	S	.	.	S	Bend	trans	162.6	-169.1	-176	0	0	0	0	0	110.7	L57 T65	L57-G63 VanDerWaalsContact CD1-C 3.49Å; L57-G63 WeakPolarHBondContact CD1-O 3.44Å; G63-T65 PolarHBondContact O-N 2.97Å
64	W	98.1	Very high	97	Very high	35 Å²	35	54.2 Å²	54.2	13%	0.133	30%	0.304	C	S	.	.			trans	-60.9	131.9	173.2	-68.6	118.2	0	0	0	111.1	Y37 L55 L57 A358 Y359	Y37-W64 HydrophobicContact CD2-CZ2 4.38Å; L55-W64 HydrophobicContact CB-CB 4.23Å; L55-W64 HydrophobicContact CB-CD2 4.01Å; L55-W64 HydrophobicContact CB-CE3 3.6Å; L55-W64 HydrophobicContact CB-CG 4.3Å; L55-W64 HydrophobicContact CB-CZ3 4.29Å; L55-W64 HydrophobicContact CD1-CB 4.17Å; L55-W64 HydrophobicContact CD1-CD2 4.31Å; L55-W64 HydrophobicContact CD1-CG 4.07Å; L57-W64 HydrophobicContact CB-CD2 4.25Å; L57-W64 HydrophobicContact CB-CE3 3.52Å; L57-W64 HydrophobicContact CB-CH2 4.22Å; L57-W64 HydrophobicContact CB-CZ3 3.5Å; W64-A358 HydrophobicContact CG-CB 4.38Å; W64-A358 PolarHBondContact NE1-O 3.19Å; W64-Y359 AromaticContact CH2-CE2 3.73Å; W64-Y359 HydrophobicContact CH2-CE2 3.73Å; W64-Y359 AromaticContact CH2-CZ 3.76Å; W64-Y359 AromaticContact CZ2-CD2 3.91Å; W64-Y359 HydrophobicContact CZ2-CD2 3.91Å; W64-Y359 HydrophobicContact CZ2-CE1 4.16Å; W64-Y359 AromaticContact CZ2-CE2 3.44Å; W64-Y359 HydrophobicContact CZ2-CE2 3.44Å; W64-Y359 VanDerWaalsContact CZ2-CE2 3.44Å; W64-Y359 HydrophobicContact CZ2-CG 4.47Å; W64-Y359 AromaticContact CZ2-CZ 3.59Å
65	T	97.5	Very high	96.9	Very high	68 Å²	68	58.8 Å²	58.8	42%	0.417	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	146.3	166.6	59.2	0	0	0	0	109.6	L55 L56 G63	L55-T65 CarbonylContact C-O 3.25Å; L55-T65 VanDerWaalsContact CA-O 3.3Å; L55-T65 WeakPolarHBondContact CA-O 3.38Å; L56-T65 PolarHBondContact N-O 3.49Å; L56-T65 PolarHBondContact O-N 3.2Å; L56-T65 PolarHBondContact O-OG1 3.48Å; G63-T65 PolarHBondContact O-N 2.97Å
66	E	97.2	Very high	96.9	Very high	147 Å²	147	58.6 Å²	58.6	69%	0.687	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	136	172.1	-68.1	178.4	-177.8	0	0	110.6	L55	L55-E66 HydrophobicContact CD2-CG 4.09Å
67	G	97.1	Very high	96.8	Very high	20 Å²	20	58.5 Å²	58.5	21%	0.206	33%	0.328	C	S	.	.			trans	-62.3	139.8	172.4	0	0	0	0	0	110.6	D26 Y54 V69	D26-G67 VanDerWaalsContact OD2-CA 3.28Å; D26-G67 WeakPolarHBondContact OD2-CA 3.27Å; Y54-G67 PolarHBondContact O-N 2.8Å; G67-V69 VanDerWaalsContact C-N 3.25Å; G67-V69 PolarHBondContact O-N 2.75Å
68	K	96.4	Very high	96.8	Very high	128 Å²	128	58.5 Å²	58.5	56%	0.557	33%	0.328	S	S	*	.	S	Bend	trans	-74.3	-19.1	-176.8	-66.1	-173.9	-171.2	164.8	0	113.8	D26 Q27	D26-K68 HydrophobicContact CB-CB 4.35Å; D26-K68 HydrophobicContact CB-CD 4.05Å; D26-K68 HydrophobicContact CB-CG 4.08Å; D26-K68 PolarHBondContact OD2-N 3.45Å; Q27-K68 VanDerWaalsContact CD-NZ 3.31Å; Q27-K68 VanDerWaalsContact NE2-CE 3.29Å
69	V	97.6	Very high	96.9	Very high	45 Å²	45	57.8 Å²	57.8	27%	0.273	33%	0.325	S	S	.	.	S	Bend	trans	-141.8	176.5	-174.9	-64.4	0	0	0	0	109.5	Y54 G67 D73	Y54-V69 WeakPolarHBondContact CE1-O 3.25Å; G67-V69 VanDerWaalsContact C-N 3.25Å; G67-V69 PolarHBondContact O-N 2.75Å; V69-D73 HydrophobicContact CB-CB 3.71Å; V69-D73 HydrophobicContact CG2-CB 3.64Å
70	T	97.6	Very high	97.1	Very high	52 Å²	52	56 Å²	56	32%	0.319	32%	0.318	S	S	.	.			trans	-74.2	158.9	175.1	71.8	0	0	0	0	111.6	D52 N72 D73	D52-T70 HydrophobicContact CB-CG2 4.36Å; D52-T70 CarbonylContact O-C 3.55Å; D52-T70 WeakPolarHBondContact O-CA 3.48Å; T70-N72 PolarHBondContact O-N 3.29Å; T70-N72 VanDerWaalsContact O-N 3.13Å; T70-D73 VanDerWaalsContact O-CB 3.31Å; T70-D73 WeakPolarHBondContact O-CB 3.35Å; T70-D73 PolarHBondContact O-N 2.88Å
71	V	97.9	Very high	97.4	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.018	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.5	178.5	71.6	0	0	0	0	113.3	L36 K38 D52 Y54 L78 Y155	L36-V71 HydrophobicContact CD2-CG2 4.44Å; K38-V71 HydrophobicContact CD-CG1 4.06Å; K38-V71 HydrophobicContact CG-CB 4.26Å; K38-V71 HydrophobicContact CG-CG1 4.15Å; K38-V71 HydrophobicContact CG-CG2 4.33Å; D52-V71 PolarHBondContact O-N 3.04Å; Y54-V71 HydrophobicContact CD1-CB 3.98Å; Y54-V71 HydrophobicContact CD1-CG2 4.5Å; V71-L78 HydrophobicContact CG2-CD2 3.82Å; V71-Y155 HydrophobicContact CB-CD2 4.45Å; V71-Y155 HydrophobicContact CG1-CD1 3.62Å; V71-Y155 HydrophobicContact CG1-CD2 4Å; V71-Y155 HydrophobicContact CG1-CE1 3.89Å; V71-Y155 HydrophobicContact CG1-CE2 4.24Å; V71-Y155 HydrophobicContact CG1-CG 3.69Å; V71-Y155 HydrophobicContact CG2-CD2 3.67Å; V71-Y155 HydrophobicContact CG2-CE2 3.77Å; V71-Y155 HydrophobicContact CG2-CG 4.21Å
72	N	97.8	Very high	97.5	Very high	79 Å²	79	51.2 Å²	51.2	42%	0.422	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-7.9	176.8	-168.9	44.9	0	0	0	113.1	T70 Y154 Y155	T70-N72 PolarHBondContact O-N 3.29Å; T70-N72 VanDerWaalsContact O-N 3.13Å; N72-Y154 WeakPolarHBondContact OD1-CA 3.49Å; N72-Y155 PolarHBondContact OD1-N 3.31Å
73	D	97.9	Very high	97.6	Very high	52 Å²	52	43.2 Å²	43.2	28%	0.278	24%	0.24	S	C	.	.			trans	-77.8	134.3	-178.5	-162.8	-59.7	0	0	0	111.2	V69 T70 N75 G76	V69-D73 HydrophobicContact CB-CB 3.71Å; V69-D73 HydrophobicContact CG2-CB 3.64Å; T70-D73 VanDerWaalsContact O-CB 3.31Å; T70-D73 WeakPolarHBondContact O-CB 3.35Å; T70-D73 PolarHBondContact O-N 2.88Å; D73-N75 PolarHBondContact O-N 3Å; D73-N75 VanDerWaalsContact OD1-CB 3.32Å; D73-N75 WeakPolarHBondContact OD1-CB 3.03Å; D73-N75 PolarHBondContact OD1-N 3.13Å; D73-N75 PolarHBondContact OD1-ND2 2.81Å; D73-G76 PolarHBondContact O-N 3.01Å
74	T	97.1	Very high	97.6	Very high	80 Å²	80	43.1 Å²	43.1	49%	0.491	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-19	179.2	54	0	0	0	0	113.3	G79 Q80 F153	T74-G79 CarbonylContact O-C 3.59Å; T74-G79 VanDerWaalsContact O-C 3.25Å; T74-Q80 VanDerWaalsContact O-CG 3.27Å; T74-Q80 WeakPolarHBondContact O-CG 3.31Å; T74-Q80 PolarHBondContact O-N 2.79Å; T74-Q80 VanDerWaalsContact O-N 3.16Å; T74-F153 HydrophobicContact CG2-CD1 4.27Å
75	N	97.1	Very high	97.5	Very high	101 Å²	101	41.5 Å²	41.5	54%	0.54	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-7.3	178.2	-53.9	-65.8	0	0	0	113.2	D73 Q80	D73-N75 PolarHBondContact O-N 3Å; D73-N75 VanDerWaalsContact OD1-CB 3.32Å; D73-N75 WeakPolarHBondContact OD1-CB 3.03Å; D73-N75 PolarHBondContact OD1-N 3.13Å; D73-N75 PolarHBondContact OD1-ND2 2.81Å; N75-Q80 PolarHBondContact O-NE2 3.09Å
76	G	97.9	Very high	97.3	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.01	21%	0.212	C	C	.	.	S	Bend	trans	-78.3	164	173.8	0	0	0	0	0	111.9	Y54 D73 L78 G79 Q80	Y54-G76 WeakPolarHBondContact OH-CA 3.37Å; D73-G76 PolarHBondContact O-N 3.01Å; G76-L78 VanDerWaalsContact C-N 3.28Å; G76-L78 PolarHBondContact O-N 3.21Å; G76-G79 PolarHBondContact O-N 3.18Å; G76-Q80 WeakPolarHBondContact O-CG 3.4Å; G76-Q80 PolarHBondContact O-N 3.1Å
77	A	98.2	Very high	96.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-50.2	-45.7	-177.7	0	0	0	0	0	113.4	Y24 D26 F34 L36 L56 T81	Y24-A77 CarbonylContact O-C 3.49Å; Y24-A77 VanDerWaalsContact O-CA 3.24Å; Y24-A77 WeakPolarHBondContact O-CA 3.31Å; Y24-A77 VanDerWaalsContact O-CB 3.31Å; Y24-A77 WeakPolarHBondContact O-CB 3.42Å; D26-A77 VanDerWaalsContact OD1-CB 3.31Å; D26-A77 WeakPolarHBondContact OD1-CB 3.43Å; D26-A77 PolarHBondContact OD1-N 3.1Å; F34-A77 HydrophobicContact CE1-CB 4.5Å; F34-A77 HydrophobicContact CZ-CB 4.42Å; L36-A77 HydrophobicContact CD1-CB 4.45Å; L56-A77 HydrophobicContact CD1-CB 3.79Å; L56-A77 HydrophobicContact CD2-CB 4.17Å; A77-T81 WeakPolarHBondContact O-CB 3.04Å; A77-T81 PolarHBondContact O-N 2.89Å; A77-T81 PolarHBondContact O-OG1 2.8Å
78	L	98.3	Very high	96	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-67.2	-43.1	178.6	-170.5	63.3	0	0	0	112.1	L36 V71 G76 V82 L137 F144 F153 Y155 F166	L36-L78 HydrophobicContact CD1-CB 4.17Å; V71-L78 HydrophobicContact CG2-CD2 3.82Å; G76-L78 VanDerWaalsContact C-N 3.28Å; G76-L78 PolarHBondContact O-N 3.21Å; L78-V82 HydrophobicContact CD1-CG2 3.93Å; L78-V82 WeakPolarHBondContact O-CB 3.28Å; L78-V82 PolarHBondContact O-N 3.03Å; L78-L137 HydrophobicContact CD1-CD1 4.48Å; L78-L137 HydrophobicContact CD1-CD2 3.82Å; L78-F144 HydrophobicContact CD1-CE1 4.25Å; L78-F144 HydrophobicContact CD1-CZ 3.89Å; L78-F144 HydrophobicContact CD2-CE1 4.47Å; L78-F144 HydrophobicContact CD2-CE2 4.2Å; L78-F144 HydrophobicContact CD2-CZ 3.81Å; L78-F144 HydrophobicContact CG-CZ 3.92Å; L78-F153 HydrophobicContact CB-CZ 4.36Å; L78-F153 HydrophobicContact CD2-CE2 4.41Å; L78-F153 HydrophobicContact CD2-CZ 4.14Å; L78-F153 HydrophobicContact CG-CE2 3.97Å; L78-F153 HydrophobicContact CG-CZ 3.94Å; L78-Y155 HydrophobicContact CD2-CD2 4.03Å; L78-Y155 HydrophobicContact CD2-CE2 4.39Å; L78-F166 HydrophobicContact CD1-CD1 3.75Å; L78-F166 HydrophobicContact CD1-CE1 3.94Å; L78-F166 HydrophobicContact CD1-CG 4.44Å; L78-F166 HydrophobicContact CD2-CD1 4.3Å; L78-F166 HydrophobicContact CD2-CE1 3.8Å; L78-F166 HydrophobicContact CD2-CE2 4.43Å; L78-F166 HydrophobicContact CD2-CZ 3.89Å
79	G	97.9	Very high	94.6	Very high	3 Å²	3	38.5 Å²	38.5	3%	0.031	22%	0.215	C	C	.	.	H	α-helix	trans	-66.1	-42.9	179.3	0	0	0	0	0	112.7	T74 G76 G83	T74-G79 CarbonylContact O-C 3.59Å; T74-G79 VanDerWaalsContact O-C 3.25Å; G76-G79 PolarHBondContact O-N 3.18Å; G79-G83 WeakPolarHBondContact O-CA 3.35Å; G79-G83 PolarHBondContact O-N 3.19Å
80	Q	97.8	Very high	93	Very high	53 Å²	53	45.9 Å²	45.9	25%	0.248	24%	0.243	C	C	.	.	H	α-helix	trans	-68.7	-42.3	176	-67	-160.3	69.4	0	0	111.5	N25 G28 T74 N75 G76	N25-Q80 PolarHBondContact O-NE2 3.14Å; G28-Q80 VanDerWaalsContact N-NE2 3.18Å; T74-Q80 VanDerWaalsContact O-CG 3.27Å; T74-Q80 WeakPolarHBondContact O-CG 3.31Å; T74-Q80 PolarHBondContact O-N 2.79Å; T74-Q80 VanDerWaalsContact O-N 3.16Å; N75-Q80 PolarHBondContact O-NE2 3.09Å; G76-Q80 WeakPolarHBondContact O-CG 3.4Å; G76-Q80 PolarHBondContact O-N 3.1Å
81	T	98.6	Very high	92	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.5	-59.7	179.8	-61.5	0	0	0	0	111.6	Y24 F34 A77 G83 Q84 F135	Y24-T81 PolarHBondContact N-OG1 3.13Å; Y24-T81 PolarHBondContact O-OG1 3.08Å; F34-T81 HydrophobicContact CE1-CG2 4.4Å; F34-T81 WeakPolarHBondContact CE1-OG1 3.36Å; A77-T81 WeakPolarHBondContact O-CB 3.04Å; A77-T81 PolarHBondContact O-N 2.89Å; A77-T81 PolarHBondContact O-OG1 2.8Å; T81-G83 VanDerWaalsContact C-N 3.32Å; T81-G83 PolarHBondContact O-N 3.38Å; T81-Q84 WeakPolarHBondContact O-CB 3.48Å; T81-Q84 PolarHBondContact O-N 3.13Å; T81-Q84 PolarHBondContact O-NE2 3.06Å; T81-F135 HydrophobicContact CG2-CD1 3.99Å; T81-F135 HydrophobicContact CG2-CD2 4.07Å; T81-F135 HydrophobicContact CG2-CE1 3.81Å; T81-F135 HydrophobicContact CG2-CE2 3.93Å; T81-F135 HydrophobicContact CG2-CG 4.1Å; T81-F135 HydrophobicContact CG2-CZ 3.8Å; T81-F135 WeakPolarHBondContact O-CE1 3.49Å
82	V	98.3	Very high	90.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-74.7	-27.9	-176.7	-179.7	0	0	0	0	111.1	L78 Q84 L85 Y86 L137 F144 P145 F153	L78-V82 HydrophobicContact CD1-CG2 3.93Å; L78-V82 WeakPolarHBondContact O-CB 3.28Å; L78-V82 PolarHBondContact O-N 3.03Å; V82-Q84 PolarHBondContact O-N 3.05Å; V82-Q84 VanDerWaalsContact O-N 3.14Å; V82-L85 VanDerWaalsContact O-CB 3.28Å; V82-L85 WeakPolarHBondContact O-CB 3.21Å; V82-L85 PolarHBondContact O-N 3.3Å; V82-Y86 HydrophobicContact CG1-CE2 4.17Å; V82-L137 HydrophobicContact CG2-CD2 3.67Å; V82-F144 HydrophobicContact CB-CZ 4.48Å; V82-F144 HydrophobicContact CG1-CZ 4.33Å; V82-F144 HydrophobicContact CG2-CE1 4.48Å; V82-F144 HydrophobicContact CG2-CZ 4.05Å; V82-P145 HydrophobicContact CG1-CB 3.83Å; V82-P145 HydrophobicContact CG1-CG 4.3Å; V82-F153 HydrophobicContact CB-CD2 3.86Å; V82-F153 HydrophobicContact CB-CE2 4.02Å; V82-F153 HydrophobicContact CG1-CD2 3.96Å; V82-F153 HydrophobicContact CG1-CE2 4.36Å
83	G	96.9	Very high	90.5	Very high	21 Å²	21	50.1 Å²	50.1	22%	0.216	27%	0.267	C	S	.	.	H	α-helix	trans	-53.3	-31.1	174.9	0	0	0	0	0	114.2	G79 T81 L85 Y86 S87	G79-G83 WeakPolarHBondContact O-CA 3.35Å; G79-G83 PolarHBondContact O-N 3.19Å; T81-G83 VanDerWaalsContact C-N 3.32Å; T81-G83 PolarHBondContact O-N 3.38Å; G83-L85 PolarHBondContact O-N 3.42Å; G83-Y86 PolarHBondContact O-N 2.69Å; G83-Y86 VanDerWaalsContact O-N 3.09Å; G83-S87 PolarHBondContact O-N 3.05Å
84	Q	96.8	Very high	90.3	Very high	17 Å²	17	47.8 Å²	47.8	8%	0.079	26%	0.255	C	S	.	.	H	α-helix	trans	-51.7	-41.6	174.6	-73.5	167	92.9	0	0	111.7	I21 S22 Y24 T81 V82 Y86 S87 Q88 L128	I21-Q84 VanDerWaalsContact CA-OE1 3.28Å; I21-Q84 HydrophobicContact CD1-CB 4.3Å; S22-Q84 PolarHBondContact O-NE2 3.25Å; Y24-Q84 VanDerWaalsContact CE2-CD 3.47Å; Y24-Q84 HydrophobicContact CE2-CG 4.44Å; T81-Q84 WeakPolarHBondContact O-CB 3.48Å; T81-Q84 PolarHBondContact O-N 3.13Å; T81-Q84 PolarHBondContact O-NE2 3.06Å; V82-Q84 PolarHBondContact O-N 3.05Å; V82-Q84 VanDerWaalsContact O-N 3.14Å; Q84-Y86 PolarHBondContact O-N 3.26Å; Q84-S87 PolarHBondContact O-N 3.08Å; Q84-S87 VanDerWaalsContact O-N 3.1Å; Q84-S87 PolarHBondContact O-OG 2.96Å; Q84-Q88 VanDerWaalsContact O-CG 3.31Å; Q84-Q88 WeakPolarHBondContact O-CG 3.4Å; Q84-L128 HydrophobicContact CB-CD2 3.71Å
85	L	96	Very high	90.3	Very high	1 Å²	1	44 Å²	44	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-51.1	-43.9	179.5	174	65.6	0	0	0	112.5	V82 G83 Y96 L98 L128 R148	V82-L85 VanDerWaalsContact O-CB 3.28Å; V82-L85 WeakPolarHBondContact O-CB 3.21Å; V82-L85 PolarHBondContact O-N 3.3Å; G83-L85 PolarHBondContact O-N 3.42Å; L85-Y96 HydrophobicContact CD1-CD1 3.94Å; L85-Y96 HydrophobicContact CD1-CD2 3.83Å; L85-Y96 HydrophobicContact CD1-CE1 4.46Å; L85-Y96 HydrophobicContact CD1-CE2 4.36Å; L85-Y96 HydrophobicContact CD1-CG 3.59Å; L85-L98 HydrophobicContact CD2-CD1 3.9Å; L85-L98 HydrophobicContact CD2-CD2 3.81Å; L85-L98 HydrophobicContact CD2-CG 4.42Å; L85-L128 HydrophobicContact CB-CD2 4.26Å; L85-L128 HydrophobicContact CD1-CD1 3.98Å; L85-R148 HydrophobicContact CD1-CB 4.34Å; L85-R148 HydrophobicContact CD1-CG 4.16Å; L85-R148 HydrophobicContact CD2-CB 4.48Å; L85-R148 HydrophobicContact CG-CB 4.37Å; L85-R148 HydrophobicContact CG-CG 4.28Å
86	Y	93.8	Very high	90.3	Very high	17 Å²	17	39.8 Å²	39.8	7%	0.067	21%	0.208	C	C	.	.	H	α-helix	trans	-81.2	-20.9	-173.7	-50.5	-74.1	0	0	0	112.8	V82 G83 Q84 Q88 P146 F153	V82-Y86 HydrophobicContact CG1-CE2 4.17Å; G83-Y86 PolarHBondContact O-N 2.69Å; G83-Y86 VanDerWaalsContact O-N 3.09Å; Q84-Y86 PolarHBondContact O-N 3.26Å; Y86-Q88 VanDerWaalsContact C-N 3.29Å; Y86-Q88 PolarHBondContact O-N 2.97Å; Y86-P146 HydrophobicContact CE1-CB 4.42Å; Y86-P146 VanDerWaalsContact OH-CD 3.28Å; Y86-P146 WeakPolarHBondContact OH-CD 3.25Å; Y86-P146 PolarHBondContact OH-O 2.75Å; Y86-F153 HydrophobicContact CD2-CB 3.96Å; Y86-F153 VanDerWaalsContact CE2-CA 3.46Å; Y86-F153 HydrophobicContact CE2-CB 3.73Å
87	S	88.1	Confident	90.3	Very high	80 Å²	80	39.7 Å²	39.7	56%	0.559	21%	0.208	S	C	*	.	H	α-helix	trans	-77.9	-10.4	174.3	70	0	0	0	0	114.2	G83 Q84 E89	G83-S87 PolarHBondContact O-N 3.05Å; Q84-S87 PolarHBondContact O-N 3.08Å; Q84-S87 VanDerWaalsContact O-N 3.1Å; Q84-S87 PolarHBondContact O-OG 2.96Å; S87-E89 PolarHBondContact O-N 3.12Å
88	Q	78.9	Confident	90.3	Very high	36 Å²	36	39.7 Å²	39.7	17%	0.168	21%	0.208	C	C	.	.			trans	-91.5	37	-173.4	-61.7	-57.5	-42.7	0	0	114	Q84 Y86 K90 N91 V94 R148	Q84-Q88 VanDerWaalsContact O-CG 3.31Å; Q84-Q88 WeakPolarHBondContact O-CG 3.4Å; Y86-Q88 VanDerWaalsContact C-N 3.29Å; Y86-Q88 PolarHBondContact O-N 2.97Å; Q88-K90 PolarHBondContact O-N 2.8Å; Q88-N91 HydrophobicContact CB-CB 4.17Å; Q88-N91 WeakPolarHBondContact O-CB 3.21Å; Q88-N91 PolarHBondContact O-N 2.63Å; Q88-N91 PolarHBondContact OE1-ND2 3.38Å; Q88-V94 HydrophobicContact CG-CG1 4.42Å; Q88-V94 HydrophobicContact CG-CG2 4.23Å; Q88-R148 PolarHBondContact O-NH2 2.89Å
89	E	66.3	Low	90.3	Very high	167 Å²	167	39.7 Å²	39.7	78%	0.78	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.4	117.7	-173.7	-71.7	-166.9	-179.2	0	0	113.1	S87 N91	S87-E89 PolarHBondContact O-N 3.12Å; E89-N91 PolarHBondContact O-N 2.8Å; E89-N91 VanDerWaalsContact O-N 3.13Å
90	K	63.9	Low	90.2	Very high	200 Å²	200	39.5 Å²	39.5	87%	0.87	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	25.7	179.5	-59.7	177.8	-179	171.2	0	115.1	Q88 S92	Q88-K90 PolarHBondContact O-N 2.8Å; K90-S92 PolarHBondContact O-N 3.29Å
91	N	76.4	Confident	89.9	Confident	46 Å²	46	37.7 Å²	37.7	25%	0.246	20%	0.198	C	C	.	.			trans	-74.4	106.5	173	-168.2	-9.7	0	0	0	110.6	Q88 E89 E93 V94	Q88-N91 HydrophobicContact CB-CB 4.17Å; Q88-N91 WeakPolarHBondContact O-CB 3.21Å; Q88-N91 PolarHBondContact O-N 2.63Å; Q88-N91 PolarHBondContact OE1-ND2 3.38Å; E89-N91 PolarHBondContact O-N 2.8Å; E89-N91 VanDerWaalsContact O-N 3.13Å; N91-E93 PolarHBondContact O-N 3.43Å; N91-E93 WeakPolarHBondContact OD1-CA 3.09Å; N91-E93 VanDerWaalsContact OD1-CB 3.25Å; N91-E93 WeakPolarHBondContact OD1-CB 3.29Å; N91-E93 PolarHBondContact OD1-N 2.85Å; N91-V94 HydrophobicContact CB-CG2 4.34Å; N91-V94 PolarHBondContact O-N 2.93Å
92	S	75.6	Confident	89.6	Confident	83 Å²	83	42 Å²	42	58%	0.58	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	0.4	175.3	60.1	0	0	0	0	113.9	K90 P196 S198	K90-S92 PolarHBondContact O-N 3.29Å; S92-P196 WeakPolarHBondContact O-CB 3.08Å; S92-S198 PolarHBondContact O-OG 2.73Å; S92-S198 VanDerWaalsContact O-OG 3.04Å
93	E	88.2	Confident	89.1	Confident	94 Å²	94	45.9 Å²	45.9	44%	0.439	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	3.8	175.2	-56.2	-166.2	116.8	0	0	113.2	N91 D130 K131	N91-E93 PolarHBondContact O-N 3.43Å; N91-E93 WeakPolarHBondContact OD1-CA 3.09Å; N91-E93 VanDerWaalsContact OD1-CB 3.25Å; N91-E93 WeakPolarHBondContact OD1-CB 3.29Å; N91-E93 PolarHBondContact OD1-N 2.85Å; E93-D130 WeakPolarHBondContact O-CA 3.49Å; E93-K131 IonicContact OE1-NZ 2.87Å; E93-K131 PolarHBondContact OE1-NZ 2.73Å; E93-K131 IonicContact OE2-NZ 3.89Å
94	V	94.3	Very high	88.6	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.012	23%	0.229	C	C	.	.			trans	-121.8	135	-178.2	173.9	0	0	0	0	110.6	Q88 N91 L128 L129 D130 P196	Q88-V94 HydrophobicContact CG-CG1 4.42Å; Q88-V94 HydrophobicContact CG-CG2 4.23Å; N91-V94 HydrophobicContact CB-CG2 4.34Å; N91-V94 PolarHBondContact O-N 2.93Å; V94-L128 HydrophobicContact CG1-CD1 3.35Å; V94-L128 HydrophobicContact CG1-CG 4.22Å; V94-L129 CarbonylContact C-O 3.54Å; V94-L129 VanDerWaalsContact CA-O 3.27Å; V94-L129 WeakPolarHBondContact CA-O 3.33Å; V94-L129 WeakPolarHBondContact CG1-O 3.28Å; V94-D130 HydrophobicContact CG2-CB 4.43Å; V94-P196 VanDerWaalsContact O-CD 3.3Å; V94-P196 WeakPolarHBondContact O-CD 3.36Å; V94-P196 VanDerWaalsContact O-CG 3.3Å; V94-P196 WeakPolarHBondContact O-CG 3.46Å
95	A	96.6	Very high	87.3	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	146.5	170.7	0	0	0	0	0	110.4	L128 L129 D194 V195 L199	A95-L128 WeakPolarHBondContact O-CA 3.37Å; A95-L129 HydrophobicContact CB-CD2 3.89Å; A95-L129 HydrophobicContact CB-CG 4.05Å; A95-L129 PolarHBondContact N-O 2.84Å; A95-L129 PolarHBondContact O-N 3.48Å; A95-D194 CarbonylContact C-O 3.55Å; A95-D194 VanDerWaalsContact CA-O 3.27Å; A95-D194 WeakPolarHBondContact CA-O 3.49Å; A95-V195 HydrophobicContact CB-CB 4.39Å; A95-V195 HydrophobicContact CB-CG1 4.13Å; A95-V195 HydrophobicContact CB-CG2 4.33Å; A95-L199 HydrophobicContact CB-CD1 3.67Å
96	Y	97.8	Very high	85.4	Confident	13 Å²	13	51.6 Å²	51.6	5%	0.051	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	153.2	175.1	74.2	-84.7	0	0	0	113.3	L85 L98 V127 R148 D192 C193 D194	L85-Y96 HydrophobicContact CD1-CD1 3.94Å; L85-Y96 HydrophobicContact CD1-CD2 3.83Å; L85-Y96 HydrophobicContact CD1-CE1 4.46Å; L85-Y96 HydrophobicContact CD1-CE2 4.36Å; L85-Y96 HydrophobicContact CD1-CG 3.59Å; Y96-L98 HydrophobicContact CD2-CD2 4.01Å; Y96-L98 HydrophobicContact CD2-CG 3.87Å; Y96-L98 HydrophobicContact CE2-CD1 4.4Å; Y96-L98 HydrophobicContact CE2-CG 4.11Å; Y96-V127 CarbonylContact C-O 3.52Å; Y96-V127 WeakPolarHBondContact CA-O 3.39Å; Y96-V127 WeakPolarHBondContact CB-O 3.25Å; Y96-R148 VanDerWaalsContact CE1-CD 3.4Å; Y96-R148 HydrophobicContact CE2-CB 4.28Å; Y96-D192 HydrophobicContact CE2-CB 4.37Å; Y96-D192 WeakPolarHBondContact CE2-OD1 3.4Å; Y96-D192 PolarHBondContact OH-OD1 3.07Å; Y96-C193 VanDerWaalsContact CE2-CA 3.44Å; Y96-C193 WeakPolarHBondContact O-CA 3.35Å; Y96-C193 WeakPolarHBondContact O-CB 3.31Å; Y96-D194 HydrophobicContact CD1-CB 3.81Å; Y96-D194 HydrophobicContact CE1-CB 3.25Å; Y96-D194 PolarHBondContact N-O 2.83Å; Y96-D194 PolarHBondContact O-N 3.03Å; Y96-D194 VanDerWaalsContact O-N 3.07Å
97	I	98.3	Very high	83	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	122.2	169.3	-57.5	-162.5	0	0	0	108.7	Y99 V127 V190 C193 L206 V209 C210	I97-Y99 HydrophobicContact CG2-CD1 4.06Å; I97-V127 HydrophobicContact CB-CB 4.23Å; I97-V127 PolarHBondContact N-O 2.76Å; I97-V127 PolarHBondContact O-N 3.17Å; I97-V190 HydrophobicContact CG2-CB 4.38Å; I97-V190 HydrophobicContact CG2-CG1 3.71Å; I97-V190 HydrophobicContact CG2-CG2 3.8Å; I97-C193 HydrophobicContact CB-CB 4.47Å; I97-C193 HydrophobicContact CG1-CB 4.22Å; I97-L206 HydrophobicContact CD1-CD1 3.37Å; I97-L206 HydrophobicContact CD1-CG 3.55Å; I97-L206 WeakPolarHBondContact CD1-O 3.44Å; I97-L206 HydrophobicContact CG1-CD1 4.06Å; I97-L206 HydrophobicContact CG1-CG 4.11Å; I97-V209 HydrophobicContact CD1-CB 3.91Å; I97-V209 HydrophobicContact CD1-CG1 3.75Å; I97-V209 HydrophobicContact CG2-CG1 4.37Å; I97-C210 HydrophobicContact CD1-CB 4.34Å
98	L	98.2	Very high	80.5	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	123.6	169.5	-41.8	-175.4	0	0	0	108.8	L85 Y96 V126 P145 V190 Y191 D192	L85-L98 HydrophobicContact CD2-CD1 3.9Å; L85-L98 HydrophobicContact CD2-CD2 3.81Å; L85-L98 HydrophobicContact CD2-CG 4.42Å; Y96-L98 HydrophobicContact CD2-CD2 4.01Å; Y96-L98 HydrophobicContact CD2-CG 3.87Å; Y96-L98 HydrophobicContact CE2-CD1 4.4Å; Y96-L98 HydrophobicContact CE2-CG 4.11Å; L98-V126 HydrophobicContact CD2-CG1 3.8Å; L98-V126 HydrophobicContact CD2-CG2 4.44Å; L98-P145 HydrophobicContact CD1-CG 4.21Å; L98-P145 HydrophobicContact CD2-CG 4.03Å; L98-V190 WeakPolarHBondContact O-CA 3.46Å; L98-V190 WeakPolarHBondContact O-CG1 3.42Å; L98-Y191 HydrophobicContact CB-CD1 4.47Å; L98-Y191 HydrophobicContact CB-CD2 4.47Å; L98-Y191 HydrophobicContact CB-CE1 3.78Å; L98-Y191 HydrophobicContact CB-CE2 3.81Å; L98-Y191 VanDerWaalsContact CB-CZ 3.42Å; L98-Y191 WeakPolarHBondContact CB-OH 3.38Å; L98-Y191 HydrophobicContact CD1-CE2 4.04Å; L98-Y191 WeakPolarHBondContact O-CD1 3.36Å; L98-Y191 PolarHBondContact O-N 3.28Å; L98-D192 HydrophobicContact CB-CB 4.39Å; L98-D192 WeakPolarHBondContact CB-O 3.4Å; L98-D192 HydrophobicContact CD1-CB 3.96Å; L98-D192 HydrophobicContact CG-CB 4.28Å; L98-D192 PolarHBondContact N-O 2.96Å
99	Y	97.6	Very high	78.4	Confident	0 Å²	0	68 Å²	68	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	138.3	-180	60.9	-80	0	0	0	112	I97 T123 K124 G125 W136 L183 P188 N189	I97-Y99 HydrophobicContact CG2-CD1 4.06Å; Y99-T123 HydrophobicContact CD2-CG2 4.16Å; Y99-T123 HydrophobicContact CE2-CG2 4.42Å; Y99-T123 WeakPolarHBondContact CE2-OG1 3.27Å; Y99-K124 CarbonylContact O-C 3.53Å; Y99-K124 VanDerWaalsContact O-CA 3.24Å; Y99-K124 WeakPolarHBondContact O-CA 3.46Å; Y99-G125 VanDerWaalsContact CD1-O 3.27Å; Y99-G125 WeakPolarHBondContact CD1-O 3.3Å; Y99-G125 WeakPolarHBondContact CE1-O 3.5Å; Y99-G125 PolarHBondContact N-O 3.13Å; Y99-G125 VanDerWaalsContact N-O 3.12Å; Y99-G125 PolarHBondContact O-N 2.84Å; Y99-G125 WeakPolarHBondContact OH-CA 3.32Å; Y99-W136 AromaticContact CZ-NE1 3.92Å; Y99-W136 PolarHBondContact OH-NE1 2.97Å; Y99-L183 HydrophobicContact CE1-CD1 4.37Å; Y99-L183 HydrophobicContact CE1-CD2 4Å; Y99-L183 HydrophobicContact CE2-CD2 4Å; Y99-P188 HydrophobicContact CD2-CB 3.72Å; Y99-P188 HydrophobicContact CG-CB 3.91Å; Y99-N189 CarbonylContact C-O 3.46Å; Y99-N189 VanDerWaalsContact CA-O 3.25Å; Y99-N189 WeakPolarHBondContact CA-O 3.3Å; Y99-N189 WeakPolarHBondContact CB-O 3.06Å
100	N	96.4	Very high	76.8	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	127.1	-179.4	-161.5	-40.3	0	0	0	108.7	Q102 Q103 K124 T141 F144 N189 Y191	N100-Q102 PolarHBondContact O-N 2.77Å; N100-Q102 PolarHBondContact OD1-N 2.98Å; N100-Q102 PolarHBondContact OD1-O 3Å; N100-Q103 PolarHBondContact O-N 2.89Å; N100-K124 HydrophobicContact CB-CB 4.44Å; N100-K124 HydrophobicContact CB-CG 4.34Å; N100-K124 VanDerWaalsContact OD1-CD 3.3Å; N100-K124 WeakPolarHBondContact OD1-CD 3.27Å; N100-K124 WeakPolarHBondContact OD1-CE 3.1Å; N100-K124 WeakPolarHBondContact OD1-CG 3.45Å; N100-T141 PolarHBondContact ND2-O 2.82Å; N100-F144 PolarHBondContact ND2-O 3.18Å; N100-N189 PolarHBondContact N-O 3.47Å; N100-N189 WeakPolarHBondContact O-CB 3.1Å; N100-N189 PolarHBondContact O-ND2 2.93Å; N100-Y191 HydrophobicContact CB-CD1 4.13Å; N100-Y191 HydrophobicContact CB-CE1 3.68Å
101	D	91.9	Very high	75.3	Confident	14 Å²	14	64.9 Å²	64.9	8%	0.075	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-11.3	175.3	68.1	-51.1	0	0	0	113.6	G121 H122 T123 K124 R343	D101-G121 WeakPolarHBondContact CB-O 3.47Å; D101-H122 IonicContact OD2-CD2 2.62Å; D101-H122 PolarHBondContact OD2-CD2 2.93Å; D101-H122 IonicContact OD2-CG 3.71Å; D101-T123 PolarHBondContact N-O 2.96Å; D101-K124 WeakPolarHBondContact OD1-CE 3.3Å; D101-K124 IonicContact OD1-NZ 2.86Å; D101-K124 PolarHBondContact OD1-NZ 2.93Å; D101-R343 IonicContact OD2-CZ 3.27Å; D101-R343 IonicContact OD2-NH1 3.85Å; D101-R343 IonicContact OD2-NH2 3.87Å; D101-R343 PolarHBondContact OD2-NH2 3.32Å
102	Q	91.5	Very high	73.5	Confident	90 Å²	90	73.1 Å²	73.1	42%	0.421	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.1	69.5	169	-65.3	177.3	-31.9	0	0	108.5	N100 P142 H143	N100-Q102 PolarHBondContact O-N 2.77Å; N100-Q102 PolarHBondContact OD1-N 2.98Å; N100-Q102 PolarHBondContact OD1-O 3Å; Q102-P142 HydrophobicContact CB-CB 3.98Å; Q102-H143 VanDerWaalsContact O-CA 3.29Å; Q102-H143 WeakPolarHBondContact O-CA 3.42Å; Q102-H143 PolarHBondContact O-N 2.87Å; Q102-H143 PolarHBondContact O-ND1 2.89Å
103	Q	88.1	Confident	71.7	Confident	82 Å²	82	72.4 Å²	72.4	38%	0.383	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-55.6	156.2	-177.5	68.2	-177.1	61.1	0	0	113.4	N100 S105 H143 N189 Y191	N100-Q103 PolarHBondContact O-N 2.89Å; Q103-S105 PolarHBondContact O-N 3.07Å; Q103-H143 PolarHBondContact O-ND1 2.98Å; Q103-N189 PolarHBondContact OE1-ND2 2.78Å; Q103-N189 VanDerWaalsContact OE1-ND2 3.16Å; Q103-Y191 HydrophobicContact CB-CD1 3.8Å; Q103-Y191 HydrophobicContact CB-CD2 4.35Å; Q103-Y191 HydrophobicContact CB-CG 3.71Å
104	P	86.7	Confident	69.2	Low	12 Å²	12	76 Å²	76	8%	0.078	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-54.7	134.6	171.8	-16.7	26.3	0	0	0	111	P145 Y191	P104-P145 WeakPolarHBondContact CG-O 3.36Å; P104-Y191 HydrophobicContact CG-CE2 3.84Å
105	S	69.6	Low	66.4	Low	96 Å²	96	79.5 Å²	79.5	67%	0.671	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-86.4	126.2	170.6	55.1	0	0	0	0	109	Q103	Q103-S105 PolarHBondContact O-N 3.07Å
106	G	54.6	Low	63.7	Low	51 Å²	51	83.5 Å²	83.5	53%	0.526	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-57.2	151.5	167.5	0	0	0	0	0	111.3	F108	G106-F108 PolarHBondContact O-N 2.03Å
107	E	43.4	Very low	61.3	Low	193 Å²	193	86.1 Å²	86.1	90%	0.902	51%	0.506	S	S	*	.	S	Bend	trans	-56.7	-3.4	-173.7	-75.6	-167	138.1	0	0	116.5	G109	E107-G109 PolarHBondContact O-N 2.86Å
108	F	36.1	Very low	59.3	Low	198 Å²	198	87.3 Å²	87.3	87%	0.868	52%	0.515	S	S	*	.	S	Bend	trans	-93.5	106.9	176.1	-69.6	-77.9	0	0	0	110.8	G106 G110	G106-F108 PolarHBondContact O-N 2.03Å; F108-G110 PolarHBondContact O-N 2.93Å
109	G	35.9	Very low	57.8	Low	87 Å²	87	93 Å²	93	90%	0.897	56%	0.555	S	S	*	*			trans	-55	71.4	173.7	0	0	0	0	0	114.8	E107	E107-G109 PolarHBondContact O-N 2.86Å
110	G	31.1	Very low	57.3	Low	66 Å²	66	96.6 Å²	96.6	68%	0.68	57%	0.57	S	S	*	*			trans	-68.1	126.1	150.6	0	0	0	0	0	107.3	F108 W112	F108-G110 PolarHBondContact O-N 2.93Å; G110-W112 PolarHBondContact O-N 3.24Å
111	R	32.2	Very low	57.1	Low	236 Å²	236	96.6 Å²	96.6	89%	0.891	57%	0.57	S	S	*	*			trans	-29.8	130.1	174.6	-71.6	174.4	176	-173.2	-2.8	111	A113	R111-A113 PolarHBondContact O-N 3.28Å
112	W	38.6	Very low	57.2	Low	219 Å²	219	96.7 Å²	96.7	83%	0.83	57%	0.57	S	S	*	*			trans	-19.5	107.7	155.2	-57.7	89.8	0	0	0	110.2	G110 E114	G110-W112 PolarHBondContact O-N 3.24Å; W112-E114 HydrophobicContact CB-CB 4.1Å; W112-E114 HydrophobicContact CB-CG 3.91Å; W112-E114 HydrophobicContact CE3-CG 4.41Å; W112-E114 HydrophobicContact CG-CG 4.48Å; W112-E114 PolarHBondContact O-N 2.86Å
113	A	38.9	Very low	57.5	Low	68 Å²	68	92.4 Å²	92.4	56%	0.562	55%	0.55	S	S	*	*			trans	-73.1	62.5	149.9	0	0	0	0	0	106.1	R111 G115 S116	R111-A113 PolarHBondContact O-N 3.28Å; A113-G115 PolarHBondContact O-N 2.84Å; A113-S116 PolarHBondContact O-N 3.43Å
114	E	34.8	Very low	58	Low	169 Å²	169	88.6 Å²	88.6	79%	0.79	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	87.5	155	-96.8	179.7	178	0	0	104.7	W112	W112-E114 HydrophobicContact CB-CB 4.1Å; W112-E114 HydrophobicContact CB-CG 3.91Å; W112-E114 HydrophobicContact CE3-CG 4.41Å; W112-E114 HydrophobicContact CG-CG 4.48Å; W112-E114 PolarHBondContact O-N 2.86Å
115	G	35.9	Very low	58.5	Low	76 Å²	76	88 Å²	88	78%	0.784	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	136.6	-9.2	-171.9	0	0	0	0	0	116.9	A113 G117	A113-G115 PolarHBondContact O-N 2.84Å; G115-G117 PolarHBondContact O-N 2.99Å
116	S	39.5	Very low	59.9	Low	84 Å²	84	83.5 Å²	83.5	59%	0.587	50%	0.497	S	S	*	.			trans	-82.4	59.9	174.3	72	0	0	0	0	111.8	A113 S118	A113-S116 PolarHBondContact O-N 3.43Å; S116-S118 VanDerWaalsContact C-N 3.34Å; S116-S118 PolarHBondContact O-N 3.19Å
117	G	47.2	Very low	62	Low	67 Å²	67	81 Å²	81	69%	0.691	47%	0.472	S	S	*	.			trans	-58.7	107	154.5	0	0	0	0	0	106.4	G115 S119	G115-G117 PolarHBondContact O-N 2.99Å; G117-S119 PolarHBondContact O-N 2.94Å
118	S	56.6	Low	64.7	Low	26 Å²	26	71.9 Å²	71.9	18%	0.182	43%	0.429	C	S	.	.			trans	-57.7	127.7	170.7	-168.9	0	0	0	0	106.8	S116 K120	S116-S118 VanDerWaalsContact C-N 3.34Å; S116-S118 PolarHBondContact O-N 3.19Å; S118-K120 PolarHBondContact O-N 2.88Å; S118-K120 VanDerWaalsContact O-O 3.13Å; S118-K120 WeakPolarHBondContact OG-CB 3.46Å; S118-K120 WeakPolarHBondContact OG-CG 3.34Å
119	S	67.4	Low	67.6	Low	119 Å²	119	62.4 Å²	62.4	83%	0.832	39%	0.388	S	S	*	.	S	Bend	trans	-64.4	-1.5	171.9	58	0	0	0	0	112.6	G117	G117-S119 PolarHBondContact O-N 2.94Å
120	K	87.4	Confident	70.4	Confident	76 Å²	76	59.3 Å²	59.3	33%	0.33	35%	0.35	S	S	.	.	S	Bend	trans	-76	169.9	171.8	-56.8	-65.5	-179.6	164.3	0	111.3	S118 Q187 N189 R343	S118-K120 PolarHBondContact O-N 2.88Å; S118-K120 VanDerWaalsContact O-O 3.13Å; S118-K120 WeakPolarHBondContact OG-CB 3.46Å; S118-K120 WeakPolarHBondContact OG-CG 3.34Å; K120-Q187 WeakPolarHBondContact CA-O 3.32Å; K120-Q187 VanDerWaalsContact CB-O 3.23Å; K120-Q187 WeakPolarHBondContact CB-O 3.04Å; K120-N189 HydrophobicContact CB-CB 4.07Å; K120-N189 HydrophobicContact CG-CB 4.21Å; K120-R343 PolarHBondContact O-NE 3.43Å; K120-R343 PolarHBondContact O-NH2 3.46Å
121	G	91.5	Very high	73.5	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	34%	0.341	C	S	.	.			trans	-58.7	149.1	179.4	0	0	0	0	0	113.6	D101 T123 N186 Q187 G344	D101-G121 WeakPolarHBondContact CB-O 3.47Å; G121-T123 PolarHBondContact O-N 3.41Å; G121-N186 WeakPolarHBondContact CA-O 3.24Å; G121-Q187 PolarHBondContact N-O 2.82Å; G121-G344 CarbonylContact C-O 3.46Å; G121-G344 WeakPolarHBondContact CA-O 2.91Å
122	H	95.1	Very high	76.5	Confident	15 Å²	15	55.2 Å²	55.2	7%	0.069	33%	0.325	C	S	.	.	S	Bend	trans	-79.1	72.9	168.6	-170.4	-61.5	0	0	0	108.9	D101 K124 D333 N335 E340 R343 G344	D101-H122 IonicContact OD2-CD2 2.62Å; D101-H122 PolarHBondContact OD2-CD2 2.93Å; D101-H122 IonicContact OD2-CG 3.71Å; H122-K124 PolarHBondContact CE1-NZ 3.11Å; H122-D333 PolarHBondContact CE1-O 2.93Å; H122-D333 PolarHBondContact ND1-O 2.95Å; H122-D333 CarbonylContact O-C 3.49Å; H122-N335 PolarHBondContact NE2-ND2 2.92Å; H122-E340 WeakPolarHBondContact CB-OE2 3.25Å; H122-E340 IonicContact CD2-OE1 3.6Å; H122-E340 PolarHBondContact CD2-OE1 3.21Å; H122-E340 VanDerWaalsContact CD2-OE1 3.27Å; H122-E340 IonicContact CD2-OE2 2.85Å; H122-E340 IonicContact CG-OE1 2.7Å; H122-E340 IonicContact CG-OE2 3.5Å; H122-R343 PolarHBondContact CD2-NH1 3.29Å; H122-R343 VanDerWaalsContact CD2-NH1 3.25Å; H122-G344 PolarHBondContact N-O 3.1Å
123	T	96.9	Very high	79.3	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.006	29%	0.293	C	S	.	.			trans	-138.9	142.6	-172.6	-179.7	0	0	0	0	111.6	Y99 D101 G121 N186 P188 D333	Y99-T123 HydrophobicContact CD2-CG2 4.16Å; Y99-T123 HydrophobicContact CE2-CG2 4.42Å; Y99-T123 WeakPolarHBondContact CE2-OG1 3.27Å; D101-T123 PolarHBondContact N-O 2.96Å; G121-T123 PolarHBondContact O-N 3.41Å; T123-N186 HydrophobicContact CG2-CB 4.15Å; T123-P188 HydrophobicContact CG2-CB 3.56Å; T123-D333 WeakPolarHBondContact CA-OD2 3.08Å; T123-D333 WeakPolarHBondContact CB-OD2 3.38Å; T123-D333 PolarHBondContact OG1-OD2 2.9Å
124	K	98.2	Very high	82.2	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.009	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	139.5	-176.1	-42.5	175.3	171.8	49	0	112	Y99 N100 D101 H122 H139 T141 D333	Y99-K124 CarbonylContact O-C 3.53Å; Y99-K124 VanDerWaalsContact O-CA 3.24Å; Y99-K124 WeakPolarHBondContact O-CA 3.46Å; N100-K124 HydrophobicContact CB-CB 4.44Å; N100-K124 HydrophobicContact CB-CG 4.34Å; N100-K124 VanDerWaalsContact OD1-CD 3.3Å; N100-K124 WeakPolarHBondContact OD1-CD 3.27Å; N100-K124 WeakPolarHBondContact OD1-CE 3.1Å; N100-K124 WeakPolarHBondContact OD1-CG 3.45Å; D101-K124 WeakPolarHBondContact OD1-CE 3.3Å; D101-K124 IonicContact OD1-NZ 2.86Å; D101-K124 PolarHBondContact OD1-NZ 2.93Å; H122-K124 PolarHBondContact CE1-NZ 3.11Å; K124-H139 VanDerWaalsContact CB-CE1 3.44Å; K124-H139 WeakPolarHBondContact CB-CE1 3.39Å; K124-H139 WeakPolarHBondContact CB-O 3.07Å; K124-H139 PolarHBondContact O-N 3Å; K124-T141 WeakPolarHBondContact CD-O 3.34Å; K124-D333 PolarHBondContact N-OD2 3.49Å
125	G	98.4	Very high	85.2	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.4	-178	176.2	0	0	0	0	0	115.6	Y99 L137 H139	Y99-G125 VanDerWaalsContact CD1-O 3.27Å; Y99-G125 WeakPolarHBondContact CD1-O 3.3Å; Y99-G125 WeakPolarHBondContact CE1-O 3.5Å; Y99-G125 PolarHBondContact N-O 3.13Å; Y99-G125 VanDerWaalsContact N-O 3.12Å; Y99-G125 PolarHBondContact O-N 2.84Å; Y99-G125 WeakPolarHBondContact OH-CA 3.32Å; G125-L137 CarbonylContact C-O 3.56Å; G125-L137 WeakPolarHBondContact CA-O 3.48Å; G125-H139 PolarHBondContact N-NE2 2.89Å
126	V	98.8	Very high	88.2	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	130.3	-177.4	-174.6	0	0	0	0	108.4	L98 F135 W136 L137 P145	L98-V126 HydrophobicContact CD2-CG1 3.8Å; L98-V126 HydrophobicContact CD2-CG2 4.44Å; V126-F135 HydrophobicContact CB-CE2 4.09Å; V126-F135 HydrophobicContact CG1-CE2 3.75Å; V126-F135 HydrophobicContact CG1-CZ 4.11Å; V126-W136 WeakPolarHBondContact O-CA 3.39Å; V126-L137 HydrophobicContact CB-CB 4.08Å; V126-L137 HydrophobicContact CB-CD2 4.32Å; V126-L137 HydrophobicContact CG2-CD2 4.04Å; V126-L137 PolarHBondContact N-O 2.73Å; V126-L137 PolarHBondContact O-N 3.38Å; V126-P145 HydrophobicContact CG2-CB 4.49Å; V126-P145 HydrophobicContact CG2-CG 3.49Å; V126-P145 VanDerWaalsContact CG2-CG 3.49Å
127	V	98.9	Very high	91.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.5	165.3	171.5	0	0	0	0	107.1	Y96 I97 L129 W136 F176 I179 L183 L206	Y96-V127 CarbonylContact C-O 3.52Å; Y96-V127 WeakPolarHBondContact CA-O 3.39Å; Y96-V127 WeakPolarHBondContact CB-O 3.25Å; I97-V127 HydrophobicContact CB-CB 4.23Å; I97-V127 PolarHBondContact N-O 2.76Å; I97-V127 PolarHBondContact O-N 3.17Å; V127-L129 HydrophobicContact CG1-CD2 3.59Å; V127-W136 HydrophobicContact CG2-CG 4.22Å; V127-F176 HydrophobicContact CG1-CD1 3.69Å; V127-F176 HydrophobicContact CG1-CE1 3.67Å; V127-I179 HydrophobicContact CG2-CG2 4.37Å; V127-L183 HydrophobicContact CG2-CD1 4.27Å; V127-L206 HydrophobicContact CG1-CD1 4.23Å; V127-L206 HydrophobicContact CG1-CD2 3.95Å
128	L	98.6	Very high	93.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	129.1	171.7	-174.9	67.1	0	0	0	108	I21 Q84 L85 V94 A95 G134 F135	I21-L128 HydrophobicContact CD1-CD2 4.08Å; I21-L128 HydrophobicContact CD1-CG 4.44Å; I21-L128 HydrophobicContact CG2-CB 4.15Å; I21-L128 HydrophobicContact CG2-CD2 3.94Å; I21-L128 HydrophobicContact CG2-CG 3.77Å; I21-L128 WeakPolarHBondContact CG2-O 3.29Å; Q84-L128 HydrophobicContact CB-CD2 3.71Å; L85-L128 HydrophobicContact CB-CD2 4.26Å; L85-L128 HydrophobicContact CD1-CD1 3.98Å; V94-L128 HydrophobicContact CG1-CD1 3.35Å; V94-L128 HydrophobicContact CG1-CG 4.22Å; A95-L128 WeakPolarHBondContact O-CA 3.37Å; L128-G134 CarbonylContact O-C 3.59Å; L128-G134 WeakPolarHBondContact O-CA 3.28Å; L128-F135 HydrophobicContact CB-CD1 4.25Å; L128-F135 HydrophobicContact CB-CE1 3.69Å; L128-F135 HydrophobicContact CB-CE2 4.3Å; L128-F135 HydrophobicContact CB-CZ 3.7Å; L128-F135 HydrophobicContact CD2-CE1 3.74Å; L128-F135 HydrophobicContact CD2-CZ 4.1Å; L128-F135 HydrophobicContact CG-CE1 4.26Å; L128-F135 PolarHBondContact N-O 3.11Å; L128-F135 PolarHBondContact O-N 2.98Å
129	L	97.9	Very high	95.5	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	154.8	-178.6	65.2	147.1	0	0	0	112.5	V94 A95 V127 Q133 L173 F176 V203 L206	V94-L129 CarbonylContact C-O 3.54Å; V94-L129 VanDerWaalsContact CA-O 3.27Å; V94-L129 WeakPolarHBondContact CA-O 3.33Å; V94-L129 WeakPolarHBondContact CG1-O 3.28Å; A95-L129 HydrophobicContact CB-CD2 3.89Å; A95-L129 HydrophobicContact CB-CG 4.05Å; A95-L129 PolarHBondContact N-O 2.84Å; A95-L129 PolarHBondContact O-N 3.48Å; V127-L129 HydrophobicContact CG1-CD2 3.59Å; L129-Q133 CarbonylContact C-O 3.52Å; L129-Q133 WeakPolarHBondContact CA-O 3.27Å; L129-L173 HydrophobicContact CD1-CD1 3.43Å; L129-L173 VanDerWaalsContact CD1-CD1 3.43Å; L129-F176 HydrophobicContact CB-CD2 4.24Å; L129-F176 HydrophobicContact CB-CE1 4.38Å; L129-F176 HydrophobicContact CB-CE2 4.04Å; L129-F176 HydrophobicContact CB-CG 4.47Å; L129-F176 HydrophobicContact CB-CZ 4.13Å; L129-F176 HydrophobicContact CD1-CB 4.07Å; L129-F176 HydrophobicContact CD1-CD1 4.48Å; L129-F176 HydrophobicContact CD1-CD2 4.06Å; L129-F176 HydrophobicContact CD1-CG 3.93Å; L129-F176 HydrophobicContact CD2-CD1 3.99Å; L129-F176 HydrophobicContact CD2-CE1 4.34Å; L129-F176 HydrophobicContact CD2-CG 4.27Å; L129-F176 HydrophobicContact CG-CG 4.46Å; L129-V203 HydrophobicContact CD1-CG1 4.25Å; L129-L206 HydrophobicContact CD2-CD2 3.53Å
130	D	95.6	Very high	97	Very high	22 Å²	22	18.3 Å²	18.3	12%	0.118	9%	0.087	C	C	.	.			trans	-111.3	-167.5	166.1	65.2	37.6	0	0	0	110.7	I21 E93 V94 N132 Q133	I21-D130 HydrophobicContact CG1-CB 4.15Å; E93-D130 WeakPolarHBondContact O-CA 3.49Å; V94-D130 HydrophobicContact CG2-CB 4.43Å; D130-N132 PolarHBondContact O-N 2.71Å; D130-N132 WeakPolarHBondContact OD1-CA 3.32Å; D130-N132 WeakPolarHBondContact OD1-CB 3.17Å; D130-N132 PolarHBondContact OD1-N 2.74Å; D130-Q133 PolarHBondContact N-O 3.06Å; D130-Q133 PolarHBondContact OD1-N 2.62Å
131	K	95.1	Very high	97.4	Very high	110 Å²	110	14.7 Å²	14.7	48%	0.478	7%	0.071	S	C	.	.	S	Bend	trans	-69.9	-8.6	179.9	69.5	-169.4	170.5	-155.3	0	115.2	E93 L173 L199	E93-K131 IonicContact OE1-NZ 2.87Å; E93-K131 PolarHBondContact OE1-NZ 2.73Å; E93-K131 IonicContact OE2-NZ 3.89Å; K131-L173 VanDerWaalsContact O-CD2 3.28Å; K131-L173 WeakPolarHBondContact O-CD2 3.34Å; K131-L199 HydrophobicContact CB-CD2 4.11Å
132	N	95.4	Very high	97.6	Very high	105 Å²	105	15.3 Å²	15.3	56%	0.561	8%	0.075	S	C	*	.	S	Bend	trans	-111	-49.6	-177.8	-54.4	-48.9	0	0	0	111	D130 L173	D130-N132 PolarHBondContact O-N 2.71Å; D130-N132 WeakPolarHBondContact OD1-CA 3.32Å; D130-N132 WeakPolarHBondContact OD1-CB 3.17Å; D130-N132 PolarHBondContact OD1-N 2.74Å; N132-L173 PolarHBondContact O-N 2.73Å
133	Q	97.9	Very high	97.7	Very high	35 Å²	35	17.7 Å²	17.7	16%	0.164	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	-179.7	-171.5	59.4	172.4	75.2	0	0	111.9	P20 I21 S22 L129 D130 Y171	P20-Q133 HydrophobicContact CB-CG 4.42Å; I21-Q133 PolarHBondContact O-NE2 3.45Å; S22-Q133 PolarHBondContact OG-NE2 3.48Å; L129-Q133 CarbonylContact C-O 3.52Å; L129-Q133 WeakPolarHBondContact CA-O 3.27Å; D130-Q133 PolarHBondContact N-O 3.06Å; D130-Q133 PolarHBondContact OD1-N 2.62Å; Q133-Y171 WeakPolarHBondContact CA-O 2.91Å; Q133-Y171 WeakPolarHBondContact CB-O 3.42Å
134	G	98.5	Very high	97.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.1	-168.8	172.4	0	0	0	0	0	111.8	L128 T170 Y171 F176	L128-G134 CarbonylContact O-C 3.59Å; L128-G134 WeakPolarHBondContact O-CA 3.28Å; G134-T170 CarbonylContact O-C 3.43Å; G134-T170 VanDerWaalsContact O-CA 3.32Å; G134-T170 WeakPolarHBondContact O-CA 3.34Å; G134-Y171 PolarHBondContact N-O 2.82Å; G134-Y171 PolarHBondContact O-N 3.12Å; G134-F176 VanDerWaalsContact C-CZ 3.49Å
135	F	98.9	Very high	97.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	152.3	169.8	69	-99.8	0	0	0	112.7	I21 S22 T81 V126 L128 L137 V169	I21-F135 HydrophobicContact CG2-CD1 3.93Å; I21-F135 HydrophobicContact CG2-CE1 4.21Å; S22-F135 WeakPolarHBondContact O-CD1 3.38Å; T81-F135 HydrophobicContact CG2-CD1 3.99Å; T81-F135 HydrophobicContact CG2-CD2 4.07Å; T81-F135 HydrophobicContact CG2-CE1 3.81Å; T81-F135 HydrophobicContact CG2-CE2 3.93Å; T81-F135 HydrophobicContact CG2-CG 4.1Å; T81-F135 HydrophobicContact CG2-CZ 3.8Å; T81-F135 WeakPolarHBondContact O-CE1 3.49Å; V126-F135 HydrophobicContact CB-CE2 4.09Å; V126-F135 HydrophobicContact CG1-CE2 3.75Å; V126-F135 HydrophobicContact CG1-CZ 4.11Å; L128-F135 HydrophobicContact CB-CD1 4.25Å; L128-F135 HydrophobicContact CB-CE1 3.69Å; L128-F135 HydrophobicContact CB-CE2 4.3Å; L128-F135 HydrophobicContact CB-CZ 3.7Å; L128-F135 HydrophobicContact CD2-CE1 3.74Å; L128-F135 HydrophobicContact CD2-CZ 4.1Å; L128-F135 HydrophobicContact CG-CE1 4.26Å; L128-F135 PolarHBondContact N-O 3.11Å; L128-F135 PolarHBondContact O-N 2.98Å; F135-L137 HydrophobicContact CD2-CB 4.13Å; F135-L137 HydrophobicContact CE2-CB 4.17Å; F135-V169 VanDerWaalsContact CA-O 3.3Å; F135-V169 WeakPolarHBondContact CA-O 3.37Å
136	W	98.9	Very high	97.5	Very high	14 Å²	14	17.6 Å²	17.6	5%	0.053	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	119.4	163.2	-178.5	32.8	0	0	0	108.8	Y99 V126 V127 V138 V169 Y171 I179 L233 V348	Y99-W136 AromaticContact CZ-NE1 3.92Å; Y99-W136 PolarHBondContact OH-NE1 2.97Å; V126-W136 WeakPolarHBondContact O-CA 3.39Å; V127-W136 HydrophobicContact CG2-CG 4.22Å; W136-V138 HydrophobicContact CD2-CG2 4.09Å; W136-V138 VanDerWaalsContact CE2-CG2 3.48Å; W136-V138 HydrophobicContact CH2-CG2 4.19Å; W136-V138 HydrophobicContact CZ2-CG2 3.54Å; W136-V169 PolarHBondContact N-O 3.44Å; W136-V169 PolarHBondContact O-N 3.3Å; W136-Y171 HydrophobicContact CB-CD2 4.21Å; W136-Y171 HydrophobicContact CB-CE2 4.15Å; W136-Y171 HydrophobicContact CE3-CE2 4.19Å; W136-I179 HydrophobicContact CB-CD1 4.16Å; W136-I179 HydrophobicContact CD2-CD1 4.46Å; W136-I179 HydrophobicContact CD2-CG1 4.49Å; W136-I179 HydrophobicContact CD2-CG2 3.86Å; W136-I179 HydrophobicContact CE3-CD1 4.14Å; W136-I179 HydrophobicContact CE3-CG1 4.03Å; W136-I179 HydrophobicContact CE3-CG2 4.16Å; W136-I179 HydrophobicContact CG-CG2 4.1Å; W136-I179 HydrophobicContact CZ3-CG1 4.47Å; W136-L233 HydrophobicContact CE3-CD1 4.31Å; W136-L233 HydrophobicContact CZ3-CD1 3.96Å; W136-V348 HydrophobicContact CE3-CG2 4.47Å; W136-V348 HydrophobicContact CH2-CG2 3.78Å; W136-V348 HydrophobicContact CZ3-CG2 3.72Å
137	L	98.9	Very high	97.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	121.7	177	-176.4	77.6	0	0	0	108.8	F34 L78 V82 G125 V126 F135 F144 F166 I167 C168	F34-L137 HydrophobicContact CZ-CD1 4.38Å; L78-L137 HydrophobicContact CD1-CD1 4.48Å; L78-L137 HydrophobicContact CD1-CD2 3.82Å; V82-L137 HydrophobicContact CG2-CD2 3.67Å; G125-L137 CarbonylContact C-O 3.56Å; G125-L137 WeakPolarHBondContact CA-O 3.48Å; V126-L137 HydrophobicContact CB-CB 4.08Å; V126-L137 HydrophobicContact CB-CD2 4.32Å; V126-L137 HydrophobicContact CG2-CD2 4.04Å; V126-L137 PolarHBondContact N-O 2.73Å; V126-L137 PolarHBondContact O-N 3.38Å; F135-L137 HydrophobicContact CD2-CB 4.13Å; F135-L137 HydrophobicContact CE2-CB 4.17Å; L137-F144 HydrophobicContact CD2-CE1 4.22Å; L137-F166 HydrophobicContact CD1-CB 4.18Å; L137-F166 HydrophobicContact CD1-CD1 4.33Å; L137-F166 HydrophobicContact CD2-CD1 4.25Å; L137-F166 HydrophobicContact CG-CD1 4.45Å; L137-I167 CarbonylContact C-O 3.52Å; L137-I167 VanDerWaalsContact CA-O 3.32Å; L137-I167 WeakPolarHBondContact CA-O 3.36Å; L137-C168 HydrophobicContact CD1-CB 3.61Å
138	V	98.9	Very high	97.1	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.024	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	134.7	171.1	177.6	0	0	0	0	108.4	W136 F166 I167 D333 V348	W136-V138 HydrophobicContact CD2-CG2 4.09Å; W136-V138 VanDerWaalsContact CE2-CG2 3.48Å; W136-V138 HydrophobicContact CH2-CG2 4.19Å; W136-V138 HydrophobicContact CZ2-CG2 3.54Å; V138-F166 WeakPolarHBondContact O-CA 3.23Å; V138-I167 HydrophobicContact CB-CG2 3.81Å; V138-I167 PolarHBondContact N-O 2.85Å; V138-I167 PolarHBondContact O-N 3.01Å; V138-D333 HydrophobicContact CG1-CB 4.46Å; V138-V348 HydrophobicContact CG2-CG2 4.15Å
139	H	98.6	Very high	96.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	171.2	-176.5	68.3	81.1	0	0	0	114.1	K124 G125 T141 F144 N165 F166	K124-H139 VanDerWaalsContact CB-CE1 3.44Å; K124-H139 WeakPolarHBondContact CB-CE1 3.39Å; K124-H139 WeakPolarHBondContact CB-O 3.07Å; K124-H139 PolarHBondContact O-N 3Å; G125-H139 PolarHBondContact N-NE2 2.89Å; H139-T141 PolarHBondContact CE1-O 3.45Å; H139-T141 PolarHBondContact ND1-N 3.46Å; H139-T141 VanDerWaalsContact ND1-N 3.17Å; H139-T141 PolarHBondContact ND1-O 3.26Å; H139-F144 AromaticContact CD2-CD1 3.96Å; H139-F144 AromaticContact CE1-CD1 3.66Å; H139-F144 PolarHBondContact CE1-O 2.87Å; H139-F144 AromaticContact NE2-CD1 3.56Å; H139-N165 VanDerWaalsContact CA-O 3.27Å; H139-N165 WeakPolarHBondContact CA-O 3.18Å; H139-N165 WeakPolarHBondContact CB-O 3.46Å; H139-F166 HydrophobicContact CB-CD1 3.28Å; H139-F166 HydrophobicContact CB-CE1 3.43Å; H139-F166 VanDerWaalsContact CB-CE1 3.43Å; H139-F166 HydrophobicContact CB-CG 3.98Å; H139-F166 HydrophobicContact CB-CZ 4.23Å; H139-F166 AromaticContact CG-CE1 3.84Å
140	S	97.8	Very high	96.5	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.007	16%	0.155	C	C	.	.			trans	-105.5	-8.1	179.4	58.4	0	0	0	0	115	P142 Q164 N165 H309	S140-P142 VanDerWaalsContact O-CD 3.32Å; S140-P142 WeakPolarHBondContact O-CD 3.46Å; S140-Q164 PolarHBondContact O-OE1 2.95Å; S140-Q164 PolarHBondContact OG-OE1 3.21Å; S140-N165 WeakPolarHBondContact CB-OD1 3.48Å; S140-N165 PolarHBondContact N-O 2.9Å; S140-N165 PolarHBondContact OG-N 2.94Å; S140-N165 VanDerWaalsContact OG-N 3.08Å; S140-N165 PolarHBondContact OG-OD1 2.83Å; S140-N165 VanDerWaalsContact OG-OD1 3.06Å; S140-H309 WeakPolarHBondContact CB-O 3.36Å
141	T	97.4	Very high	96.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.			trans	-73.1	117.5	-173.3	-57.5	0	0	0	0	114.5	N100 K124 H139 F144 Y155 P156 Q164 F166	N100-T141 PolarHBondContact ND2-O 2.82Å; K124-T141 WeakPolarHBondContact CD-O 3.34Å; H139-T141 PolarHBondContact CE1-O 3.45Å; H139-T141 PolarHBondContact ND1-N 3.46Å; H139-T141 VanDerWaalsContact ND1-N 3.17Å; H139-T141 PolarHBondContact ND1-O 3.26Å; T141-F144 HydrophobicContact CG2-CB 3.8Å; T141-F144 HydrophobicContact CG2-CG 4.43Å; T141-Y155 HydrophobicContact CG2-CE2 3.88Å; T141-Y155 PolarHBondContact OG1-OH 3.45Å; T141-P156 HydrophobicContact CG2-CG 3.69Å; T141-Q164 WeakPolarHBondContact OG1-CG 3.32Å; T141-F166 VanDerWaalsContact OG1-CZ 3.23Å; T141-F166 WeakPolarHBondContact OG1-CZ 3.44Å
142	P	95.6	Very high	96.3	Very high	13 Å²	13	34.6 Å²	34.6	8%	0.084	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	153.8	168.9	-23.8	37.4	0	0	0	112.5	Q102 S140 F144 P156	Q102-P142 HydrophobicContact CB-CB 3.98Å; S140-P142 VanDerWaalsContact O-CD 3.32Å; S140-P142 WeakPolarHBondContact O-CD 3.46Å; P142-F144 PolarHBondContact O-N 3.46Å; P142-P156 WeakPolarHBondContact O-CG 3.41Å
143	H	95.6	Very high	96.4	Very high	65 Å²	65	30.2 Å²	30.2	30%	0.301	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	28.9	174	-48.3	-65.1	0	0	0	114.3	Q102 Q103 P156	Q102-H143 VanDerWaalsContact O-CA 3.29Å; Q102-H143 WeakPolarHBondContact O-CA 3.42Å; Q102-H143 PolarHBondContact O-N 2.87Å; Q102-H143 PolarHBondContact O-ND1 2.89Å; Q103-H143 PolarHBondContact O-ND1 2.98Å; H143-P156 HydrophobicContact CB-CB 4.24Å
144	F	97	Very high	96.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.158	C	C	.	.			trans	-135.2	148.1	-179.1	177.4	-93.1	0	0	0	110.9	L78 V82 N100 L137 H139 T141 P142 F153 Y155 P156 F166 Y191	L78-F144 HydrophobicContact CD1-CE1 4.25Å; L78-F144 HydrophobicContact CD1-CZ 3.89Å; L78-F144 HydrophobicContact CD2-CE1 4.47Å; L78-F144 HydrophobicContact CD2-CE2 4.2Å; L78-F144 HydrophobicContact CD2-CZ 3.81Å; L78-F144 HydrophobicContact CG-CZ 3.92Å; V82-F144 HydrophobicContact CB-CZ 4.48Å; V82-F144 HydrophobicContact CG1-CZ 4.33Å; V82-F144 HydrophobicContact CG2-CE1 4.48Å; V82-F144 HydrophobicContact CG2-CZ 4.05Å; N100-F144 PolarHBondContact ND2-O 3.18Å; L137-F144 HydrophobicContact CD2-CE1 4.22Å; H139-F144 AromaticContact CD2-CD1 3.96Å; H139-F144 AromaticContact CE1-CD1 3.66Å; H139-F144 PolarHBondContact CE1-O 2.87Å; H139-F144 AromaticContact NE2-CD1 3.56Å; T141-F144 HydrophobicContact CG2-CB 3.8Å; T141-F144 HydrophobicContact CG2-CG 4.43Å; P142-F144 PolarHBondContact O-N 3.46Å; F144-F153 HydrophobicContact CE2-CD2 4.31Å; F144-F153 AromaticContact CE2-CE2 3.54Å; F144-F153 HydrophobicContact CE2-CE2 3.54Å; F144-F153 HydrophobicContact CE2-CZ 4.18Å; F144-F153 AromaticContact CZ-CE2 3.8Å; F144-F153 HydrophobicContact CZ-CE2 3.8Å; F144-Y155 HydrophobicContact CD2-CD2 4.38Å; F144-Y155 HydrophobicContact CE2-CD2 4.47Å; F144-P156 HydrophobicContact CB-CG 4Å; F144-F166 HydrophobicContact CD1-CE1 4.22Å; F144-F166 AromaticContact CE1-CE1 3.92Å; F144-F166 HydrophobicContact CE1-CE1 3.92Å; F144-Y191 PolarHBondContact O-OH 3.02Å
145	P	97.3	Very high	96.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.16	C	C	.	.	S	Bend	cis	-80.6	171	-14.2	36	-42.4	0	0	0	113.9	V82 L98 P104 V126 Y191	V82-P145 HydrophobicContact CG1-CB 3.83Å; V82-P145 HydrophobicContact CG1-CG 4.3Å; L98-P145 HydrophobicContact CD1-CG 4.21Å; L98-P145 HydrophobicContact CD2-CG 4.03Å; P104-P145 WeakPolarHBondContact CG-O 3.36Å; V126-P145 HydrophobicContact CG2-CB 4.49Å; V126-P145 HydrophobicContact CG2-CG 3.49Å; V126-P145 VanDerWaalsContact CG2-CG 3.49Å; P145-Y191 WeakPolarHBondContact CD-OH 3.44Å; P145-Y191 VanDerWaalsContact N-OH 3.11Å; P145-Y191 PolarHBondContact O-OH 3.3Å
146	P	95.9	Very high	96.1	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-56.1	149.3	170.1	-21.9	31.4	0	0	0	112.8	Y86 E150 Y154	Y86-P146 HydrophobicContact CE1-CB 4.42Å; Y86-P146 VanDerWaalsContact OH-CD 3.28Å; Y86-P146 WeakPolarHBondContact OH-CD 3.25Å; Y86-P146 PolarHBondContact OH-O 2.75Å; P146-E150 HydrophobicContact CB-CB 4.08Å; P146-E150 HydrophobicContact CB-CG 4.1Å; P146-Y154 HydrophobicContact CB-CD1 3.99Å; P146-Y154 HydrophobicContact CB-CE1 3.45Å; P146-Y154 VanDerWaalsContact CB-CE1 3.45Å; P146-Y154 HydrophobicContact CB-CE2 4.45Å; P146-Y154 WeakPolarHBondContact CD-O 3.46Å; P146-Y154 HydrophobicContact CG-CD1 3.3Å; P146-Y154 HydrophobicContact CG-CD2 3.78Å; P146-Y154 HydrophobicContact CG-CE1 3.19Å; P146-Y154 HydrophobicContact CG-CE2 3.66Å; P146-Y154 HydrophobicContact CG-CG 3.6Å
147	E	95.2	Very high	95.9	Very high	45 Å²	45	37.4 Å²	37.4	21%	0.21	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-59.1	149.1	172.8	-64.1	-178.8	174.9	0	0	110.9	Q149 E150 Y191 D192	E147-Q149 HydrophobicContact CB-CG 4.06Å; E147-Q149 PolarHBondContact O-N 3.41Å; E147-Q149 VanDerWaalsContact O-N 3.11Å; E147-Q149 PolarHBondContact OE2-NE2 3.06Å; E147-E150 HydrophobicContact CB-CG 4.42Å; E147-E150 VanDerWaalsContact O-CB 3.27Å; E147-E150 WeakPolarHBondContact O-CB 3.47Å; E147-E150 PolarHBondContact O-N 2.93Å; E147-Y191 HydrophobicContact CG-CD2 3.99Å; E147-Y191 HydrophobicContact CG-CE2 4.1Å; E147-D192 WeakPolarHBondContact CA-OD2 3.32Å; E147-D192 HydrophobicContact CB-CB 4.41Å; E147-D192 WeakPolarHBondContact CB-OD2 3.47Å; E147-D192 HydrophobicContact CG-CB 4.12Å
148	R	93.3	Very high	95.5	Very high	39 Å²	39	40.5 Å²	40.5	15%	0.147	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-54.3	-35.5	-178.5	-175.8	179.7	-178.2	-169.7	9.1	112.1	L85 Q88 Y96 E150 G151 D192 D194	L85-R148 HydrophobicContact CD1-CB 4.34Å; L85-R148 HydrophobicContact CD1-CG 4.16Å; L85-R148 HydrophobicContact CD2-CB 4.48Å; L85-R148 HydrophobicContact CG-CB 4.37Å; L85-R148 HydrophobicContact CG-CG 4.28Å; Q88-R148 PolarHBondContact O-NH2 2.89Å; Y96-R148 VanDerWaalsContact CE1-CD 3.4Å; Y96-R148 HydrophobicContact CE2-CB 4.28Å; R148-E150 PolarHBondContact O-N 3.27Å; R148-G151 PolarHBondContact O-N 3.42Å; R148-G151 VanDerWaalsContact O-N 3.08Å; R148-D192 PolarHBondContact N-OD2 3.43Å; R148-D194 IonicContact NH1-OD2 3.78Å
149	Q	91.9	Very high	95.2	Very high	158 Å²	158	40.4 Å²	40.4	74%	0.738	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-66.8	-18.8	-179.9	66	177	0.4	0	0	114.5	E147 G151	E147-Q149 HydrophobicContact CB-CG 4.06Å; E147-Q149 PolarHBondContact O-N 3.41Å; E147-Q149 VanDerWaalsContact O-N 3.11Å; E147-Q149 PolarHBondContact OE2-NE2 3.06Å; Q149-G151 PolarHBondContact O-N 3.02Å
150	E	92.4	Very high	94.9	Very high	78 Å²	78	42.2 Å²	42.2	36%	0.364	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-66.2	-16.9	172.2	-64.3	-73.1	176.9	0	0	111.7	P146 E147 R148 Q152	P146-E150 HydrophobicContact CB-CB 4.08Å; P146-E150 HydrophobicContact CB-CG 4.1Å; E147-E150 HydrophobicContact CB-CG 4.42Å; E147-E150 VanDerWaalsContact O-CB 3.27Å; E147-E150 WeakPolarHBondContact O-CB 3.47Å; E147-E150 PolarHBondContact O-N 2.93Å; R148-E150 PolarHBondContact O-N 3.27Å; E150-Q152 PolarHBondContact O-N 2.93Å
151	G	92.9	Very high	94.8	Very high	44 Å²	44	46.7 Å²	46.7	45%	0.454	25%	0.252	S	S	.	.			trans	70.8	1.9	170.3	0	0	0	0	0	115.2	R148 Q149	R148-G151 PolarHBondContact O-N 3.42Å; R148-G151 VanDerWaalsContact O-N 3.08Å; Q149-G151 PolarHBondContact O-N 3.02Å
152	Q	94.4	Very high	94.8	Very high	126 Å²	126	48.1 Å²	48.1	59%	0.589	26%	0.26	S	S	*	.	S	Bend	trans	-153.8	151.9	179.8	64.7	-171.9	-21.8	0	0	112.9	E150	E150-Q152 PolarHBondContact O-N 2.93Å
153	F	96.7	Very high	94.9	Very high	13 Å²	13	47.5 Å²	47.5	6%	0.057	26%	0.256	C	S	.	.			trans	-74.3	136.4	170.5	170.5	-92.8	0	0	0	110.7	T74 L78 V82 Y86 F144	T74-F153 HydrophobicContact CG2-CD1 4.27Å; L78-F153 HydrophobicContact CB-CZ 4.36Å; L78-F153 HydrophobicContact CD2-CE2 4.41Å; L78-F153 HydrophobicContact CD2-CZ 4.14Å; L78-F153 HydrophobicContact CG-CE2 3.97Å; L78-F153 HydrophobicContact CG-CZ 3.94Å; V82-F153 HydrophobicContact CB-CD2 3.86Å; V82-F153 HydrophobicContact CB-CE2 4.02Å; V82-F153 HydrophobicContact CG1-CD2 3.96Å; V82-F153 HydrophobicContact CG1-CE2 4.36Å; Y86-F153 HydrophobicContact CD2-CB 3.96Å; Y86-F153 VanDerWaalsContact CE2-CA 3.46Å; Y86-F153 HydrophobicContact CE2-CB 3.73Å; F144-F153 HydrophobicContact CE2-CD2 4.31Å; F144-F153 AromaticContact CE2-CE2 3.54Å; F144-F153 HydrophobicContact CE2-CE2 3.54Å; F144-F153 HydrophobicContact CE2-CZ 4.18Å; F144-F153 AromaticContact CZ-CE2 3.8Å; F144-F153 HydrophobicContact CZ-CE2 3.8Å
154	Y	96.7	Very high	95	Very high	74 Å²	74	44.6 Å²	44.6	29%	0.29	24%	0.242	S	C	.	.			trans	-149.7	150.4	159.6	62.7	-97.5	0	0	0	110.7	N72 P146	N72-Y154 WeakPolarHBondContact OD1-CA 3.49Å; P146-Y154 HydrophobicContact CB-CD1 3.99Å; P146-Y154 HydrophobicContact CB-CE1 3.45Å; P146-Y154 VanDerWaalsContact CB-CE1 3.45Å; P146-Y154 HydrophobicContact CB-CE2 4.45Å; P146-Y154 WeakPolarHBondContact CD-O 3.46Å; P146-Y154 HydrophobicContact CG-CD1 3.3Å; P146-Y154 HydrophobicContact CG-CD2 3.78Å; P146-Y154 HydrophobicContact CG-CE1 3.19Å; P146-Y154 HydrophobicContact CG-CE2 3.66Å; P146-Y154 HydrophobicContact CG-CG 3.6Å
155	Y	97.5	Very high	95	Very high	11 Å²	11	44.6 Å²	44.6	4%	0.043	24%	0.242	C	C	.	.			trans	-90.3	130.5	171.4	-171.2	-92.7	0	0	0	109.9	K38 V71 N72 L78 T141 F144 S157 G159 Q164 F166	K38-Y155 HydrophobicContact CD-CE1 3.99Å; K38-Y155 VanDerWaalsContact CD-OH 3.3Å; K38-Y155 WeakPolarHBondContact CD-OH 3.16Å; V71-Y155 HydrophobicContact CB-CD2 4.45Å; V71-Y155 HydrophobicContact CG1-CD1 3.62Å; V71-Y155 HydrophobicContact CG1-CD2 4Å; V71-Y155 HydrophobicContact CG1-CE1 3.89Å; V71-Y155 HydrophobicContact CG1-CE2 4.24Å; V71-Y155 HydrophobicContact CG1-CG 3.69Å; V71-Y155 HydrophobicContact CG2-CD2 3.67Å; V71-Y155 HydrophobicContact CG2-CE2 3.77Å; V71-Y155 HydrophobicContact CG2-CG 4.21Å; N72-Y155 PolarHBondContact OD1-N 3.31Å; L78-Y155 HydrophobicContact CD2-CD2 4.03Å; L78-Y155 HydrophobicContact CD2-CE2 4.39Å; T141-Y155 HydrophobicContact CG2-CE2 3.88Å; T141-Y155 PolarHBondContact OG1-OH 3.45Å; F144-Y155 HydrophobicContact CD2-CD2 4.38Å; F144-Y155 HydrophobicContact CE2-CD2 4.47Å; Y155-S157 PolarHBondContact O-N 3.03Å; Y155-G159 PolarHBondContact OH-O 3.11Å; Y155-Q164 WeakPolarHBondContact OH-CG 2.98Å; Y155-F166 HydrophobicContact CE2-CE2 4.48Å; Y155-F166 AromaticContact CE2-CZ 3.92Å; Y155-F166 HydrophobicContact CE2-CZ 3.92Å
156	P	95.6	Very high	95.1	Very high	9 Å²	9	44.6 Å²	44.6	6%	0.058	24%	0.242	C	C	.	.			trans	-68.6	136.1	-173.9	28.1	-36.3	0	0	0	111.6	T141 P142 H143 F144 S158 G159	T141-P156 HydrophobicContact CG2-CG 3.69Å; P142-P156 WeakPolarHBondContact O-CG 3.41Å; H143-P156 HydrophobicContact CB-CB 4.24Å; F144-P156 HydrophobicContact CB-CG 4Å; P156-S158 PolarHBondContact O-N 3.01Å; P156-G159 WeakPolarHBondContact O-CA 3.5Å; P156-G159 PolarHBondContact O-N 3.04Å
157	S	93.6	Very high	95.2	Very high	105 Å²	105	44.7 Å²	44.7	73%	0.734	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-59.3	-30.3	177.8	59.9	0	0	0	0	113	Y155 G159 V160	Y155-S157 PolarHBondContact O-N 3.03Å; S157-G159 PolarHBondContact O-N 3.5Å; S157-V160 WeakPolarHBondContact O-CB 3.32Å; S157-V160 WeakPolarHBondContact O-CG2 3.25Å; S157-V160 PolarHBondContact O-N 2.89Å
158	S	90.9	Very high	95.4	Very high	65 Å²	65	42.5 Å²	42.5	46%	0.455	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-64.1	-23.5	173.8	58.7	0	0	0	0	113.3	P156 V160	P156-S158 PolarHBondContact O-N 3.01Å; S158-V160 VanDerWaalsContact C-N 3.34Å
159	G	92.4	Very high	95.7	Very high	2 Å²	2	40.8 Å²	40.8	2%	0.021	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-83	-2.8	179	0	0	0	0	0	114.8	K38 Y155 P156 S157	K38-G159 WeakPolarHBondContact CE-O 3.28Å; K38-G159 PolarHBondContact NZ-O 3.39Å; Y155-G159 PolarHBondContact OH-O 3.11Å; P156-G159 WeakPolarHBondContact O-CA 3.5Å; P156-G159 PolarHBondContact O-N 3.04Å; S157-G159 PolarHBondContact O-N 3.5Å
160	V	93.6	Very high	96	Very high	39 Å²	39	33.5 Å²	33.5	24%	0.236	19%	0.192	C	C	.	.	S	Bend	trans	-75.8	-40.5	-174.3	173.1	0	0	0	0	111.9	K38 Q50 G51 S157 S158 N162	K38-V160 PolarHBondContact NZ-O 3.09Å; Q50-V160 WeakPolarHBondContact O-CG1 3.08Å; G51-V160 CarbonylContact C-O 3.57Å; G51-V160 VanDerWaalsContact CA-O 3.25Å; G51-V160 WeakPolarHBondContact CA-O 3.35Å; G51-V160 WeakPolarHBondContact O-CA 3.28Å; S157-V160 WeakPolarHBondContact O-CB 3.32Å; S157-V160 WeakPolarHBondContact O-CG2 3.25Å; S157-V160 PolarHBondContact O-N 2.89Å; S158-V160 VanDerWaalsContact C-N 3.34Å; V160-N162 PolarHBondContact O-N 3.15Å
161	N	94.7	Very high	96.3	Very high	95 Å²	95	29.8 Å²	29.8	51%	0.508	18%	0.175	S	C	.	.	S	Bend	trans	-65.3	-40.2	-168	-70.7	-41.1	0	0	0	114.6	K41	K41-N161 PolarHBondContact N-O 2.66Å
162	N	96.9	Very high	96.6	Very high	30 Å²	30	28.7 Å²	28.7	16%	0.16	16%	0.16	C	C	.	.	S	Bend	trans	-108.2	156.4	-173.3	-59.8	-60.9	0	0	0	111.5	K38 V160 W272 Q307 H309	K38-N162 WeakPolarHBondContact CE-O 3.37Å; K38-N162 PolarHBondContact NZ-O 3.08Å; V160-N162 PolarHBondContact O-N 3.15Å; N162-W272 HydrophobicContact CB-CZ3 4.49Å; N162-Q307 CarbonylContact C-O 3.54Å; N162-Q307 WeakPolarHBondContact CA-O 2.94Å; N162-Q307 WeakPolarHBondContact CB-O 2.99Å; N162-H309 HydrophobicContact CB-CB 4.34Å; N162-H309 WeakPolarHBondContact CB-CD2 3.23Å; N162-H309 VanDerWaalsContact CG-CD2 3.45Å; N162-H309 PolarHBondContact ND2-CD2 2.85Å; N162-H309 VanDerWaalsContact ND2-CD2 3.3Å; N162-H309 PolarHBondContact ND2-NE2 3.44Å
163	G	98.1	Very high	96.8	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-60.8	146.6	171.4	0	0	0	0	0	111.5	K38 Q307 H309 S310	K38-G163 CarbonylContact O-C 3.45Å; K38-G163 WeakPolarHBondContact O-CA 3.37Å; G163-Q307 PolarHBondContact N-O 3.33Å; G163-H309 WeakPolarHBondContact O-CA 3.27Å; G163-H309 WeakPolarHBondContact O-CB 3.46Å; G163-H309 PolarHBondContact O-N 3.16Å; G163-S310 PolarHBondContact O-N 2.89Å
164	Q	98.2	Very high	96.8	Very high	3 Å²	3	28.8 Å²	28.8	1%	0.014	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	148.3	179.9	-62	-74.1	3.1	0	0	109.6	K38 S140 T141 Y155 F166 H309	K38-Q164 HydrophobicContact CB-CB 4.32Å; K38-Q164 PolarHBondContact N-O 3.17Å; K38-Q164 PolarHBondContact O-N 3.08Å; S140-Q164 PolarHBondContact O-OE1 2.95Å; S140-Q164 PolarHBondContact OG-OE1 3.21Å; T141-Q164 WeakPolarHBondContact OG1-CG 3.32Å; Y155-Q164 WeakPolarHBondContact OH-CG 2.98Å; Q164-F166 HydrophobicContact CB-CE2 4.08Å; Q164-H309 VanDerWaalsContact CD-CB 3.48Å; Q164-H309 VanDerWaalsContact NE2-CB 3.34Å; Q164-H309 VanDerWaalsContact OE1-CB 3.26Å
165	N	97.5	Very high	96.9	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	155.5	174.6	64.8	-23.6	0	0	0	113	L36 H139 S140 S310 K311 V331	L36-N165 CarbonylContact O-C 3.59Å; L36-N165 WeakPolarHBondContact O-CA 3.4Å; H139-N165 VanDerWaalsContact CA-O 3.27Å; H139-N165 WeakPolarHBondContact CA-O 3.18Å; H139-N165 WeakPolarHBondContact CB-O 3.46Å; S140-N165 WeakPolarHBondContact CB-OD1 3.48Å; S140-N165 PolarHBondContact N-O 2.9Å; S140-N165 PolarHBondContact OG-N 2.94Å; S140-N165 VanDerWaalsContact OG-N 3.08Å; S140-N165 PolarHBondContact OG-OD1 2.83Å; S140-N165 VanDerWaalsContact OG-OD1 3.06Å; N165-S310 VanDerWaalsContact OD1-CA 3.31Å; N165-S310 WeakPolarHBondContact OD1-CA 3.38Å; N165-S310 WeakPolarHBondContact OD1-CB 3.16Å; N165-K311 PolarHBondContact ND2-N 2.95Å; N165-K311 PolarHBondContact ND2-O 3.16Å; N165-K311 PolarHBondContact OD1-N 3.27Å; N165-K311 VanDerWaalsContact OD1-N 3.09Å; N165-V331 HydrophobicContact CB-CG1 4.5Å; N165-V331 VanDerWaalsContact ND2-CG1 3.29Å; N165-V331 WeakPolarHBondContact ND2-CG1 3.49Å
166	F	98.8	Very high	96.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	141.9	176.2	-58	-102.2	0	0	0	108.5	Y35 L36 L78 L137 V138 H139 T141 F144 Y155 Q164	Y35-F166 WeakPolarHBondContact CA-O 3.24Å; L36-F166 HydrophobicContact CB-CB 4.13Å; L36-F166 HydrophobicContact CB-CD2 4.39Å; L36-F166 HydrophobicContact CD2-CD2 3.48Å; L36-F166 VanDerWaalsContact CD2-CD2 3.48Å; L36-F166 HydrophobicContact CD2-CE2 3.94Å; L36-F166 HydrophobicContact CD2-CG 4.34Å; L36-F166 HydrophobicContact CG-CD2 4.5Å; L36-F166 PolarHBondContact N-O 2.7Å; L36-F166 PolarHBondContact O-N 2.91Å; L78-F166 HydrophobicContact CD1-CD1 3.75Å; L78-F166 HydrophobicContact CD1-CE1 3.94Å; L78-F166 HydrophobicContact CD1-CG 4.44Å; L78-F166 HydrophobicContact CD2-CD1 4.3Å; L78-F166 HydrophobicContact CD2-CE1 3.8Å; L78-F166 HydrophobicContact CD2-CE2 4.43Å; L78-F166 HydrophobicContact CD2-CZ 3.89Å; L137-F166 HydrophobicContact CD1-CB 4.18Å; L137-F166 HydrophobicContact CD1-CD1 4.33Å; L137-F166 HydrophobicContact CD2-CD1 4.25Å; L137-F166 HydrophobicContact CG-CD1 4.45Å; V138-F166 WeakPolarHBondContact O-CA 3.23Å; H139-F166 HydrophobicContact CB-CD1 3.28Å; H139-F166 HydrophobicContact CB-CE1 3.43Å; H139-F166 VanDerWaalsContact CB-CE1 3.43Å; H139-F166 HydrophobicContact CB-CG 3.98Å; H139-F166 HydrophobicContact CB-CZ 4.23Å; H139-F166 AromaticContact CG-CE1 3.84Å; T141-F166 VanDerWaalsContact OG1-CZ 3.23Å; T141-F166 WeakPolarHBondContact OG1-CZ 3.44Å; F144-F166 HydrophobicContact CD1-CE1 4.22Å; F144-F166 AromaticContact CE1-CE1 3.92Å; F144-F166 HydrophobicContact CE1-CE1 3.92Å; Y155-F166 HydrophobicContact CE2-CE2 4.48Å; Y155-F166 AromaticContact CE2-CZ 3.92Å; Y155-F166 HydrophobicContact CE2-CZ 3.92Å; Q164-F166 HydrophobicContact CB-CE2 4.08Å
167	I	98.9	Very high	97	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	123.6	162.6	-174.9	179.8	0	0	0	107.6	F34 Y35 L137 V138 V169 F241 V331 V348	F34-I167 WeakPolarHBondContact O-CA 3.43Å; Y35-I167 HydrophobicContact CD1-CB 4.26Å; Y35-I167 HydrophobicContact CD1-CD1 4.43Å; Y35-I167 HydrophobicContact CD1-CG1 4.21Å; Y35-I167 HydrophobicContact CE1-CB 4.19Å; Y35-I167 HydrophobicContact CE1-CD1 3.6Å; Y35-I167 HydrophobicContact CE1-CG1 3.87Å; Y35-I167 HydrophobicContact CE2-CD1 4.43Å; Y35-I167 WeakPolarHBondContact OH-CD1 3.25Å; L137-I167 CarbonylContact C-O 3.52Å; L137-I167 VanDerWaalsContact CA-O 3.32Å; L137-I167 WeakPolarHBondContact CA-O 3.36Å; V138-I167 HydrophobicContact CB-CG2 3.81Å; V138-I167 PolarHBondContact N-O 2.85Å; V138-I167 PolarHBondContact O-N 3.01Å; I167-V169 HydrophobicContact CD1-CG2 4.23Å; I167-V169 HydrophobicContact CG1-CG2 4.12Å; I167-F241 HydrophobicContact CD1-CD1 4.26Å; I167-F241 HydrophobicContact CD1-CE1 4.01Å; I167-V331 HydrophobicContact CB-CB 4.1Å; I167-V331 HydrophobicContact CB-CG1 3.81Å; I167-V331 HydrophobicContact CG2-CB 3.97Å; I167-V331 HydrophobicContact CG2-CG1 3.55Å; I167-V348 HydrophobicContact CD1-CB 4.23Å; I167-V348 HydrophobicContact CD1-CG1 3.98Å
168	C	98.9	Very high	97.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	132.8	172.1	-170	0	0	0	0	108.7	C23 W33 F34 L137	C23-C168 HydrophobicContact CB-CB 3.94Å; C23-C168 WeakPolarHBondContact CB-SG 3.34Å; C23-C168 WeakPolarHBondContact SG-CB 3.27Å; C23-C168 CovalentContact SG-SG 2.03Å; C23-C168 PolarHBondContact SG-SG 3.31Å; W33-C168 CarbonylContact C-O 3.46Å; W33-C168 WeakPolarHBondContact CA-O 3.46Å; W33-C168 WeakPolarHBondContact CB-O 3.44Å; F34-C168 HydrophobicContact CD1-CB 3.75Å; F34-C168 HydrophobicContact CD2-CB 4.18Å; F34-C168 HydrophobicContact CE1-CB 3.33Å; F34-C168 HydrophobicContact CE2-CB 3.81Å; F34-C168 HydrophobicContact CG-CB 4.15Å; F34-C168 HydrophobicContact CZ-CB 3.36Å; F34-C168 PolarHBondContact N-O 2.81Å; F34-C168 PolarHBondContact O-N 3.16Å; L137-C168 HydrophobicContact CD1-CB 3.61Å
169	V	98.9	Very high	97.7	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.018	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	130.1	171.9	-173.8	0	0	0	0	110	C23 W33 F135 W136 I167 Y171 F241	C23-V169 PolarHBondContact SG-N 3.17Å; W33-V169 HydrophobicContact CB-CB 4.39Å; W33-V169 HydrophobicContact CB-CG1 4.36Å; W33-V169 HydrophobicContact CB-CG2 4.05Å; F135-V169 VanDerWaalsContact CA-O 3.3Å; F135-V169 WeakPolarHBondContact CA-O 3.37Å; W136-V169 PolarHBondContact N-O 3.44Å; W136-V169 PolarHBondContact O-N 3.3Å; I167-V169 HydrophobicContact CD1-CG2 4.23Å; I167-V169 HydrophobicContact CG1-CG2 4.12Å; V169-Y171 HydrophobicContact CB-CD2 4.14Å; V169-Y171 HydrophobicContact CB-CE1 4.45Å; V169-Y171 HydrophobicContact CB-CE2 3.46Å; V169-Y171 VanDerWaalsContact CB-CE2 3.46Å; V169-Y171 HydrophobicContact CG1-CD1 4.19Å; V169-Y171 HydrophobicContact CG1-CD2 4.07Å; V169-Y171 HydrophobicContact CG1-CE1 3.64Å; V169-Y171 HydrophobicContact CG1-CE2 3.55Å; V169-Y171 HydrophobicContact CG1-CG 4.38Å; V169-Y171 HydrophobicContact CG2-CE2 4.41Å; V169-Y171 WeakPolarHBondContact O-CD2 3.03Å; V169-F241 HydrophobicContact CB-CE2 4.38Å; V169-F241 HydrophobicContact CG1-CD2 3.86Å; V169-F241 HydrophobicContact CG1-CE2 3.55Å; V169-F241 HydrophobicContact CG1-CZ 4.2Å; V169-F241 HydrophobicContact CG2-CD1 4.25Å; V169-F241 HydrophobicContact CG2-CD2 4.19Å; V169-F241 HydrophobicContact CG2-CE1 3.92Å; V169-F241 HydrophobicContact CG2-CE2 3.87Å; V169-F241 HydrophobicContact CG2-CG 4.37Å; V169-F241 HydrophobicContact CG2-CZ 3.73Å
170	T	98.9	Very high	97.9	Very high	4 Å²	4	23.2 Å²	23.2	3%	0.025	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	122.6	173.4	-55.8	0	0	0	0	108.9	C23 V31 D32 G134 S235 T236	C23-T170 PolarHBondContact N-OG1 3.44Å; C23-T170 PolarHBondContact SG-OG1 3.17Å; V31-T170 PolarHBondContact O-OG1 3.23Å; D32-T170 PolarHBondContact O-N 3.28Å; G134-T170 CarbonylContact O-C 3.43Å; G134-T170 VanDerWaalsContact O-CA 3.32Å; G134-T170 WeakPolarHBondContact O-CA 3.34Å; T170-S235 WeakPolarHBondContact O-CA 3.45Å; T170-S235 VanDerWaalsContact O-CB 3.29Å; T170-S235 WeakPolarHBondContact O-CB 3.31Å; T170-T236 PolarHBondContact O-N 3.15Å
171	Y	98.9	Very high	98.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	148.9	-178.1	-70.2	-70.9	0	0	0	111.5	Q133 G134 W136 V169 R175 F176 I179 L233 T234 T236	Q133-Y171 WeakPolarHBondContact CA-O 2.91Å; Q133-Y171 WeakPolarHBondContact CB-O 3.42Å; G134-Y171 PolarHBondContact N-O 2.82Å; G134-Y171 PolarHBondContact O-N 3.12Å; W136-Y171 HydrophobicContact CB-CD2 4.21Å; W136-Y171 HydrophobicContact CB-CE2 4.15Å; W136-Y171 HydrophobicContact CE3-CE2 4.19Å; V169-Y171 HydrophobicContact CB-CD2 4.14Å; V169-Y171 HydrophobicContact CB-CE1 4.45Å; V169-Y171 HydrophobicContact CB-CE2 3.46Å; V169-Y171 VanDerWaalsContact CB-CE2 3.46Å; V169-Y171 HydrophobicContact CG1-CD1 4.19Å; V169-Y171 HydrophobicContact CG1-CD2 4.07Å; V169-Y171 HydrophobicContact CG1-CE1 3.64Å; V169-Y171 HydrophobicContact CG1-CE2 3.55Å; V169-Y171 HydrophobicContact CG1-CG 4.38Å; V169-Y171 HydrophobicContact CG2-CE2 4.41Å; V169-Y171 WeakPolarHBondContact O-CD2 3.03Å; Y171-R175 HydrophobicContact CD1-CB 4.18Å; Y171-R175 HydrophobicContact CD1-CG 4.09Å; Y171-R175 HydrophobicContact CG-CB 4.23Å; Y171-F176 WeakPolarHBondContact O-CE2 3.11Å; Y171-I179 HydrophobicContact CD2-CD1 3.71Å; Y171-I179 HydrophobicContact CE2-CD1 4.05Å; Y171-I179 HydrophobicContact CG-CD1 4.22Å; Y171-L233 HydrophobicContact CD1-CB 4.39Å; Y171-L233 HydrophobicContact CE1-CB 3.55Å; Y171-T234 WeakPolarHBondContact CD1-O 3.49Å; Y171-T236 VanDerWaalsContact C-OG1 3.25Å
172	P	98.4	Very high	98.2	Very high	22 Å²	22	19.9 Å²	19.9	14%	0.143	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	155.7	168.3	33.4	-36.3	0	0	0	110.4	E174 R175	P172-E174 WeakPolarHBondContact CB-OE2 3.48Å; P172-E174 HydrophobicContact CG-CG 4.43Å; P172-E174 WeakPolarHBondContact CG-OE1 3.3Å; P172-E174 PolarHBondContact O-N 3.07Å; P172-R175 HydrophobicContact CG-CG 3.92Å; P172-R175 PolarHBondContact O-N 2.04Å
173	L	97.9	Very high	98.3	Very high	27 Å²	27	18.4 Å²	18.4	14%	0.141	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-41.9	-174.3	175.5	63	0	0	0	113	L129 K131 N132 R175 F176 V203	L129-L173 HydrophobicContact CD1-CD1 3.43Å; L129-L173 VanDerWaalsContact CD1-CD1 3.43Å; K131-L173 VanDerWaalsContact O-CD2 3.28Å; K131-L173 WeakPolarHBondContact O-CD2 3.34Å; N132-L173 PolarHBondContact O-N 2.73Å; L173-R175 PolarHBondContact O-N 3.41Å; L173-F176 PolarHBondContact O-N 3.42Å; L173-V203 HydrophobicContact CD1-CG1 3.94Å
174	E	97.4	Very high	98.1	Very high	114 Å²	114	21.7 Å²	21.7	53%	0.533	10%	0.103	S	C	.	.	H	α-helix	trans	-62.6	-16.8	-175.3	66.5	-92.4	-161.1	0	0	114.6	P172	P172-E174 WeakPolarHBondContact CB-OE2 3.48Å; P172-E174 HydrophobicContact CG-CG 4.43Å; P172-E174 WeakPolarHBondContact CG-OE1 3.3Å; P172-E174 PolarHBondContact O-N 3.07Å
175	R	98.7	Very high	98	Very high	77 Å²	77	22.5 Å²	22.5	29%	0.291	11%	0.107	S	C	.	.	H	α-helix	trans	-80.3	-23.4	176.7	-59.5	-65.6	168.1	-118.1	-3.7	112.4	Y171 P172 L173 Q177 T178 I179	Y171-R175 HydrophobicContact CD1-CB 4.18Å; Y171-R175 HydrophobicContact CD1-CG 4.09Å; Y171-R175 HydrophobicContact CG-CB 4.23Å; P172-R175 HydrophobicContact CG-CG 3.92Å; P172-R175 PolarHBondContact O-N 2.04Å; L173-R175 PolarHBondContact O-N 3.41Å; R175-Q177 VanDerWaalsContact C-N 3.28Å; R175-Q177 PolarHBondContact O-N 3.33Å; R175-T178 WeakPolarHBondContact O-CB 3.39Å; R175-T178 PolarHBondContact O-N 3.01Å; R175-I179 HydrophobicContact CB-CD1 4.45Å; R175-I179 WeakPolarHBondContact O-CG1 3.07Å; R175-I179 PolarHBondContact O-N 2.77Å
176	F	98.6	Very high	97.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-70	-23.1	-174.8	-75	-81.4	0	0	0	113.9	V127 L129 G134 Y171 L173 I179 G180 V203 L206	V127-F176 HydrophobicContact CG1-CD1 3.69Å; V127-F176 HydrophobicContact CG1-CE1 3.67Å; L129-F176 HydrophobicContact CB-CD2 4.24Å; L129-F176 HydrophobicContact CB-CE1 4.38Å; L129-F176 HydrophobicContact CB-CE2 4.04Å; L129-F176 HydrophobicContact CB-CG 4.47Å; L129-F176 HydrophobicContact CB-CZ 4.13Å; L129-F176 HydrophobicContact CD1-CB 4.07Å; L129-F176 HydrophobicContact CD1-CD1 4.48Å; L129-F176 HydrophobicContact CD1-CD2 4.06Å; L129-F176 HydrophobicContact CD1-CG 3.93Å; L129-F176 HydrophobicContact CD2-CD1 3.99Å; L129-F176 HydrophobicContact CD2-CE1 4.34Å; L129-F176 HydrophobicContact CD2-CG 4.27Å; L129-F176 HydrophobicContact CG-CG 4.46Å; G134-F176 VanDerWaalsContact C-CZ 3.49Å; Y171-F176 WeakPolarHBondContact O-CE2 3.11Å; L173-F176 PolarHBondContact O-N 3.42Å; F176-I179 HydrophobicContact CD1-CD1 3.92Å; F176-I179 HydrophobicContact CE1-CD1 4.01Å; F176-I179 HydrophobicContact CG-CD1 4.38Å; F176-G180 PolarHBondContact O-N 2.57Å; F176-V203 HydrophobicContact CB-CG1 3.6Å; F176-L206 HydrophobicContact CB-CD2 4.45Å
177	Q	97.8	Very high	97.6	Very high	46 Å²	46	26.4 Å²	26.4	22%	0.215	13%	0.126	C	C	.	.	H	α-helix	trans	-61.7	-48.6	166.9	170.1	54.6	22	0	0	111	R175 G180 E181 P204	R175-Q177 VanDerWaalsContact C-N 3.28Å; R175-Q177 PolarHBondContact O-N 3.33Å; Q177-G180 PolarHBondContact O-N 2.85Å; Q177-E181 PolarHBondContact NE2-OE1 3.29Å; Q177-E181 WeakPolarHBondContact O-CG 3.08Å; Q177-E181 PolarHBondContact O-N 2.87Å; Q177-P204 VanDerWaalsContact OE1-CG 3.29Å; Q177-P204 VanDerWaalsContact OE1-N 3.16Å
178	T	98.3	Very high	97.5	Very high	26 Å²	26	26.7 Å²	26.7	16%	0.16	13%	0.128	C	C	.	.	H	α-helix	trans	-68.2	-37.2	179	-60.1	0	0	0	0	111.9	R175 G180 E181 Q182 V231 L233	R175-T178 WeakPolarHBondContact O-CB 3.39Å; R175-T178 PolarHBondContact O-N 3.01Å; T178-G180 VanDerWaalsContact C-N 3.34Å; T178-E181 WeakPolarHBondContact O-CB 3.5Å; T178-E181 PolarHBondContact O-N 3.37Å; T178-Q182 WeakPolarHBondContact O-CG 3.43Å; T178-Q182 PolarHBondContact O-N 3.45Å; T178-V231 HydrophobicContact CG2-CB 4.37Å; T178-V231 HydrophobicContact CG2-CG1 3.75Å; T178-V231 HydrophobicContact CG2-CG2 3.9Å; T178-L233 HydrophobicContact CG2-CD2 3.67Å
179	I	98.8	Very high	97.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.6	-44.1	172.7	-66.2	165.8	0	0	0	110	V127 W136 Y171 R175 F176 E181 Q182 L183 L233	V127-I179 HydrophobicContact CG2-CG2 4.37Å; W136-I179 HydrophobicContact CB-CD1 4.16Å; W136-I179 HydrophobicContact CD2-CD1 4.46Å; W136-I179 HydrophobicContact CD2-CG1 4.49Å; W136-I179 HydrophobicContact CD2-CG2 3.86Å; W136-I179 HydrophobicContact CE3-CD1 4.14Å; W136-I179 HydrophobicContact CE3-CG1 4.03Å; W136-I179 HydrophobicContact CE3-CG2 4.16Å; W136-I179 HydrophobicContact CG-CG2 4.1Å; W136-I179 HydrophobicContact CZ3-CG1 4.47Å; Y171-I179 HydrophobicContact CD2-CD1 3.71Å; Y171-I179 HydrophobicContact CE2-CD1 4.05Å; Y171-I179 HydrophobicContact CG-CD1 4.22Å; R175-I179 HydrophobicContact CB-CD1 4.45Å; R175-I179 WeakPolarHBondContact O-CG1 3.07Å; R175-I179 PolarHBondContact O-N 2.77Å; F176-I179 HydrophobicContact CD1-CD1 3.92Å; F176-I179 HydrophobicContact CE1-CD1 4.01Å; F176-I179 HydrophobicContact CG-CD1 4.38Å; I179-E181 VanDerWaalsContact C-N 3.3Å; I179-E181 PolarHBondContact O-N 3.29Å; I179-Q182 WeakPolarHBondContact O-CB 3.45Å; I179-Q182 PolarHBondContact O-N 3.01Å; I179-Q182 VanDerWaalsContact O-N 3.14Å; I179-L183 HydrophobicContact CG2-CD1 4.28Å; I179-L183 HydrophobicContact CG2-CG 4.45Å; I179-L183 WeakPolarHBondContact O-CG 3.29Å; I179-L183 PolarHBondContact O-N 3.25Å; I179-L233 HydrophobicContact CD1-CD1 4.46Å; I179-L233 HydrophobicContact CG1-CD1 3.81Å
180	G	98	Very high	97.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-56.3	-41.6	173.5	0	0	0	0	0	112.9	F176 Q177 T178 L183 Q184	F176-G180 PolarHBondContact O-N 2.57Å; Q177-G180 PolarHBondContact O-N 2.85Å; T178-G180 VanDerWaalsContact C-N 3.34Å; G180-L183 PolarHBondContact O-N 2.82Å; G180-Q184 WeakPolarHBondContact O-CG 3.45Å; G180-Q184 PolarHBondContact O-N 2.77Å
181	E	97	Very high	96.9	Very high	63 Å²	63	29.5 Å²	29.5	29%	0.294	14%	0.141	S	C	.	.	H	α-helix	trans	-64.7	-40.4	175.3	-67	164.1	-176.1	0	0	112.9	Q177 T178 I179 Q184 I185 A205 R229	Q177-E181 PolarHBondContact NE2-OE1 3.29Å; Q177-E181 WeakPolarHBondContact O-CG 3.08Å; Q177-E181 PolarHBondContact O-N 2.87Å; T178-E181 WeakPolarHBondContact O-CB 3.5Å; T178-E181 PolarHBondContact O-N 3.37Å; I179-E181 VanDerWaalsContact C-N 3.3Å; I179-E181 PolarHBondContact O-N 3.29Å; E181-Q184 PolarHBondContact O-N 3.42Å; E181-I185 WeakPolarHBondContact O-CG1 3.47Å; E181-I185 PolarHBondContact O-N 3.11Å; E181-A205 HydrophobicContact CG-CB 3.83Å; E181-R229 IonicContact OE2-CZ 3.38Å; E181-R229 IonicContact OE2-NH1 3.84Å; E181-R229 PolarHBondContact OE2-NH1 2.97Å; E181-R229 IonicContact OE2-NH2 3.66Å
182	Q	97.9	Very high	96.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.7	-48.1	174.1	-67.9	-77.5	-50.3	0	0	110	T178 I179 Q184 I185 N186 R229 V231 S243 A245	T178-Q182 WeakPolarHBondContact O-CG 3.43Å; T178-Q182 PolarHBondContact O-N 3.45Å; I179-Q182 WeakPolarHBondContact O-CB 3.45Å; I179-Q182 PolarHBondContact O-N 3.01Å; I179-Q182 VanDerWaalsContact O-N 3.14Å; Q182-Q184 VanDerWaalsContact C-N 3.31Å; Q182-Q184 PolarHBondContact O-N 2.89Å; Q182-I185 WeakPolarHBondContact O-CA 3.36Å; Q182-I185 WeakPolarHBondContact O-CB 3.36Å; Q182-I185 PolarHBondContact O-N 3.19Å; Q182-N186 VanDerWaalsContact C-OD1 3.31Å; Q182-N186 PolarHBondContact O-N 2.74Å; Q182-N186 PolarHBondContact O-OD1 2.83Å; Q182-R229 PolarHBondContact NE2-O 3.48Å; Q182-R229 PolarHBondContact OE1-O 3.08Å; Q182-V231 HydrophobicContact CG-CG1 4.05Å; Q182-V231 VanDerWaalsContact NE2-CG1 3.33Å; Q182-S243 PolarHBondContact OE1-OG 2.95Å; Q182-A245 HydrophobicContact CB-CB 4.15Å
183	L	97.4	Very high	96.6	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.8	-38.7	176.3	-67.1	177.9	0	0	0	112	Y99 V127 I179 G180 I185 N186 Q187 P188 L206 V209	Y99-L183 HydrophobicContact CE1-CD1 4.37Å; Y99-L183 HydrophobicContact CE1-CD2 4Å; Y99-L183 HydrophobicContact CE2-CD2 4Å; V127-L183 HydrophobicContact CG2-CD1 4.27Å; I179-L183 HydrophobicContact CG2-CD1 4.28Å; I179-L183 HydrophobicContact CG2-CG 4.45Å; I179-L183 WeakPolarHBondContact O-CG 3.29Å; I179-L183 PolarHBondContact O-N 3.25Å; G180-L183 PolarHBondContact O-N 2.82Å; L183-I185 PolarHBondContact O-N 2.97Å; L183-N186 PolarHBondContact O-N 3.28Å; L183-N186 VanDerWaalsContact O-N 3.15Å; L183-Q187 PolarHBondContact O-N 3.46Å; L183-P188 HydrophobicContact CB-CG 4.38Å; L183-P188 WeakPolarHBondContact O-CD 3.49Å; L183-L206 HydrophobicContact CD1-CD1 4.15Å; L183-V209 HydrophobicContact CB-CG1 4.37Å; L183-V209 HydrophobicContact CB-CG2 3.97Å
184	Q	94.9	Very high	96.4	Very high	68 Å²	68	32.7 Å²	32.7	32%	0.318	16%	0.159	S	C	.	.	H	α-helix	trans	-60.2	-33.4	174	-70.9	-178.5	17.6	0	0	113.2	G180 E181 Q182 Q187 A205 V209	G180-Q184 WeakPolarHBondContact O-CG 3.45Å; G180-Q184 PolarHBondContact O-N 2.77Å; E181-Q184 PolarHBondContact O-N 3.42Å; Q182-Q184 VanDerWaalsContact C-N 3.31Å; Q182-Q184 PolarHBondContact O-N 2.89Å; Q184-Q187 WeakPolarHBondContact O-CG 3.49Å; Q184-A205 PolarHBondContact NE2-O 2.93Å; Q184-V209 HydrophobicContact CB-CG2 4.49Å; Q184-V209 HydrophobicContact CG-CG2 3.47Å; Q184-V209 VanDerWaalsContact CG-CG2 3.47Å
185	I	95.6	Very high	96.3	Very high	20 Å²	20	28.2 Å²	28.2	10%	0.103	14%	0.139	C	C	.	.	H	α-helix	trans	-72.5	-43.4	174.4	-64.4	165.8	0	0	0	110.3	E181 Q182 L183 Q187 V226 R229 A245 G247	E181-I185 WeakPolarHBondContact O-CG1 3.47Å; E181-I185 PolarHBondContact O-N 3.11Å; Q182-I185 WeakPolarHBondContact O-CA 3.36Å; Q182-I185 WeakPolarHBondContact O-CB 3.36Å; Q182-I185 PolarHBondContact O-N 3.19Å; L183-I185 PolarHBondContact O-N 2.97Å; I185-Q187 PolarHBondContact O-N 2.9Å; I185-V226 HydrophobicContact CD1-CG2 3.68Å; I185-V226 HydrophobicContact CG1-CG2 4.15Å; I185-R229 HydrophobicContact CD1-CB 3.52Å; I185-A245 HydrophobicContact CB-CB 4.11Å; I185-A245 HydrophobicContact CG2-CB 3.99Å; I185-G247 WeakPolarHBondContact O-CA 3.32Å
186	N	95.9	Very high	96.1	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.027	13%	0.13	C	C	.	.	H	α-helix	trans	-64.1	-23.1	177.4	-57.8	125.2	0	0	0	113	G121 T123 Q182 L183 A245 G344 G345	G121-N186 WeakPolarHBondContact CA-O 3.24Å; T123-N186 HydrophobicContact CG2-CB 4.15Å; Q182-N186 VanDerWaalsContact C-OD1 3.31Å; Q182-N186 PolarHBondContact O-N 2.74Å; Q182-N186 PolarHBondContact O-OD1 2.83Å; L183-N186 PolarHBondContact O-N 3.28Å; L183-N186 VanDerWaalsContact O-N 3.15Å; N186-A245 WeakPolarHBondContact ND2-CA 3.4Å; N186-A245 VanDerWaalsContact ND2-CB 3.28Å; N186-A245 WeakPolarHBondContact ND2-CB 3.18Å; N186-G344 CarbonylContact O-C 3.58Å; N186-G344 VanDerWaalsContact O-CA 3.25Å; N186-G344 WeakPolarHBondContact O-CA 3.35Å; N186-G345 WeakPolarHBondContact ND2-CA 3.23Å; N186-G345 PolarHBondContact ND2-N 2.8Å; N186-G345 PolarHBondContact ND2-O 3.23Å
187	Q	93.3	Very high	95.7	Very high	78 Å²	78	34 Å²	34	36%	0.364	17%	0.171	S	C	.	.			trans	53.2	54.2	-178.8	-60.5	170.8	-5.4	0	0	112.1	K120 G121 L183 Q184 I185	K120-Q187 WeakPolarHBondContact CA-O 3.32Å; K120-Q187 VanDerWaalsContact CB-O 3.23Å; K120-Q187 WeakPolarHBondContact CB-O 3.04Å; G121-Q187 PolarHBondContact N-O 2.82Å; L183-Q187 PolarHBondContact O-N 3.46Å; Q184-Q187 WeakPolarHBondContact O-CG 3.49Å; I185-Q187 PolarHBondContact O-N 2.9Å
188	P	95	Very high	95.4	Very high	8 Å²	8	35.5 Å²	35.5	5%	0.052	19%	0.186	C	C	.	.			trans	-64.3	158.7	-174.2	27.3	-36.3	0	0	0	113	Y99 T123 L183 V190 V209	Y99-P188 HydrophobicContact CD2-CB 3.72Å; Y99-P188 HydrophobicContact CG-CB 3.91Å; T123-P188 HydrophobicContact CG2-CB 3.56Å; L183-P188 HydrophobicContact CB-CG 4.38Å; L183-P188 WeakPolarHBondContact O-CD 3.49Å; P188-V190 HydrophobicContact CB-CG2 4.46Å; P188-V190 HydrophobicContact CG-CG2 4.04Å; P188-V190 PolarHBondContact O-N 2.76Å; P188-V209 HydrophobicContact CG-CG1 4.22Å
189	N	94.3	Very high	95.2	Very high	27 Å²	27	34.5 Å²	34.5	14%	0.144	18%	0.18	C	C	.	.			trans	-85.2	91.5	160.8	-175.1	60.2	0	0	0	109.6	Y99 N100 Q103 K120	Y99-N189 CarbonylContact C-O 3.46Å; Y99-N189 VanDerWaalsContact CA-O 3.25Å; Y99-N189 WeakPolarHBondContact CA-O 3.3Å; Y99-N189 WeakPolarHBondContact CB-O 3.06Å; N100-N189 PolarHBondContact N-O 3.47Å; N100-N189 WeakPolarHBondContact O-CB 3.1Å; N100-N189 PolarHBondContact O-ND2 2.93Å; Q103-N189 PolarHBondContact OE1-ND2 2.78Å; Q103-N189 VanDerWaalsContact OE1-ND2 3.16Å; K120-N189 HydrophobicContact CB-CB 4.07Å; K120-N189 HydrophobicContact CG-CB 4.21Å
190	V	95.7	Very high	94.9	Very high	10 Å²	10	35.8 Å²	35.8	6%	0.061	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	118.8	172.3	-177.9	0	0	0	0	109.3	I97 L98 P188 C193 V209 N213	I97-V190 HydrophobicContact CG2-CB 4.38Å; I97-V190 HydrophobicContact CG2-CG1 3.71Å; I97-V190 HydrophobicContact CG2-CG2 3.8Å; L98-V190 WeakPolarHBondContact O-CA 3.46Å; L98-V190 WeakPolarHBondContact O-CG1 3.42Å; P188-V190 HydrophobicContact CB-CG2 4.46Å; P188-V190 HydrophobicContact CG-CG2 4.04Å; P188-V190 PolarHBondContact O-N 2.76Å; V190-C193 HydrophobicContact CG1-CB 3.74Å; V190-V209 HydrophobicContact CG2-CG1 3.64Å; V190-N213 WeakPolarHBondContact CA-ND2 3.49Å; V190-N213 VanDerWaalsContact CB-ND2 3.29Å; V190-N213 WeakPolarHBondContact CB-ND2 3.21Å; V190-N213 PolarHBondContact N-ND2 2.81Å; V190-N213 VanDerWaalsContact N-ND2 3.11Å; V190-N213 PolarHBondContact O-ND2 2.81Å
191	Y	94.1	Very high	94.6	Very high	28 Å²	28	40.4 Å²	40.4	11%	0.11	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	-21.2	-177.6	61.1	-88	0	0	0	113	L98 N100 Q103 P104 F144 P145 E147	L98-Y191 HydrophobicContact CB-CD1 4.47Å; L98-Y191 HydrophobicContact CB-CD2 4.47Å; L98-Y191 HydrophobicContact CB-CE1 3.78Å; L98-Y191 HydrophobicContact CB-CE2 3.81Å; L98-Y191 VanDerWaalsContact CB-CZ 3.42Å; L98-Y191 WeakPolarHBondContact CB-OH 3.38Å; L98-Y191 HydrophobicContact CD1-CE2 4.04Å; L98-Y191 WeakPolarHBondContact O-CD1 3.36Å; L98-Y191 PolarHBondContact O-N 3.28Å; N100-Y191 HydrophobicContact CB-CD1 4.13Å; N100-Y191 HydrophobicContact CB-CE1 3.68Å; Q103-Y191 HydrophobicContact CB-CD1 3.8Å; Q103-Y191 HydrophobicContact CB-CD2 4.35Å; Q103-Y191 HydrophobicContact CB-CG 3.71Å; P104-Y191 HydrophobicContact CG-CE2 3.84Å; F144-Y191 PolarHBondContact O-OH 3.02Å; P145-Y191 WeakPolarHBondContact CD-OH 3.44Å; P145-Y191 VanDerWaalsContact N-OH 3.11Å; P145-Y191 PolarHBondContact O-OH 3.3Å; E147-Y191 HydrophobicContact CG-CD2 3.99Å; E147-Y191 HydrophobicContact CG-CE2 4.1Å
192	D	94.9	Very high	94.6	Very high	27 Å²	27	40.4 Å²	40.4	14%	0.144	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	131.7	175.4	-178.9	10.9	0	0	0	109.5	Y96 L98 E147 R148	Y96-D192 HydrophobicContact CE2-CB 4.37Å; Y96-D192 WeakPolarHBondContact CE2-OD1 3.4Å; Y96-D192 PolarHBondContact OH-OD1 3.07Å; L98-D192 HydrophobicContact CB-CB 4.39Å; L98-D192 WeakPolarHBondContact CB-O 3.4Å; L98-D192 HydrophobicContact CD1-CB 3.96Å; L98-D192 HydrophobicContact CG-CB 4.28Å; L98-D192 PolarHBondContact N-O 2.96Å; E147-D192 WeakPolarHBondContact CA-OD2 3.32Å; E147-D192 HydrophobicContact CB-CB 4.41Å; E147-D192 WeakPolarHBondContact CB-OD2 3.47Å; E147-D192 HydrophobicContact CG-CB 4.12Å; R148-D192 PolarHBondContact N-OD2 3.43Å
193	C	96.3	Very high	94.5	Very high	27 Å²	27	40.4 Å²	40.4	18%	0.182	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	153.8	-179	66.4	0	0	0	0	112.2	Y96 I97 V190 C210	Y96-C193 VanDerWaalsContact CE2-CA 3.44Å; Y96-C193 WeakPolarHBondContact O-CA 3.35Å; Y96-C193 WeakPolarHBondContact O-CB 3.31Å; I97-C193 HydrophobicContact CB-CB 4.47Å; I97-C193 HydrophobicContact CG1-CB 4.22Å; V190-C193 HydrophobicContact CG1-CB 3.74Å; C193-C210 HydrophobicContact CB-CB 3.78Å; C193-C210 WeakPolarHBondContact CB-SG 3.2Å; C193-C210 WeakPolarHBondContact SG-CA 3.4Å; C193-C210 WeakPolarHBondContact SG-CB 3.45Å; C193-C210 CovalentContact SG-SG 2.04Å; C193-C210 PolarHBondContact SG-SG 2.94Å
194	D	94.9	Very high	94.4	Very high	62 Å²	62	43.6 Å²	43.6	33%	0.332	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	129.5	168.5	-174.6	19	0	0	0	108.3	A95 Y96 R148	A95-D194 CarbonylContact C-O 3.55Å; A95-D194 VanDerWaalsContact CA-O 3.27Å; A95-D194 WeakPolarHBondContact CA-O 3.49Å; Y96-D194 HydrophobicContact CD1-CB 3.81Å; Y96-D194 HydrophobicContact CE1-CB 3.25Å; Y96-D194 PolarHBondContact N-O 2.83Å; Y96-D194 PolarHBondContact O-N 3.03Å; Y96-D194 VanDerWaalsContact O-N 3.07Å; R148-D194 IonicContact NH1-OD2 3.78Å
195	V	95.8	Very high	94.4	Very high	21 Å²	21	40.6 Å²	40.6	13%	0.127	24%	0.237	C	C	.	.			trans	-130.1	93.3	174.1	-174.5	0	0	0	0	107.3	A95 A200 V203 A207 C210	A95-V195 HydrophobicContact CB-CB 4.39Å; A95-V195 HydrophobicContact CB-CG1 4.13Å; A95-V195 HydrophobicContact CB-CG2 4.33Å; V195-A200 HydrophobicContact CG1-CB 4.3Å; V195-V203 HydrophobicContact CG1-CG2 4.16Å; V195-A207 HydrophobicContact CB-CB 4.3Å; V195-A207 HydrophobicContact CG1-CB 3.91Å; V195-C210 HydrophobicContact CG2-CB 3.95Å
196	P	93.2	Very high	94.4	Very high	15 Å²	15	39.6 Å²	39.6	10%	0.097	23%	0.232	C	C	.	.			trans	-57.9	150	-177.6	-27	35.5	0	0	0	112.4	S92 V94 S198 L199 A200	S92-P196 WeakPolarHBondContact O-CB 3.08Å; V94-P196 VanDerWaalsContact O-CD 3.3Å; V94-P196 WeakPolarHBondContact O-CD 3.36Å; V94-P196 VanDerWaalsContact O-CG 3.3Å; V94-P196 WeakPolarHBondContact O-CG 3.46Å; P196-S198 PolarHBondContact O-N 2.82Å; P196-S198 VanDerWaalsContact O-N 3.11Å; P196-L199 PolarHBondContact O-N 2.87Å; P196-A200 PolarHBondContact O-N 2.88Å
197	E	90.8	Very high	94.4	Very high	183 Å²	183	39.8 Å²	39.8	86%	0.855	23%	0.234	S	C	*	.	H	α-helix	trans	-55.5	-32.8	-179.3	-171.8	174.8	-171.7	0	0	112.6	L199 A200	E197-L199 PolarHBondContact O-N 3.43Å; E197-A200 PolarHBondContact O-N 2.84Å
198	S	91.2	Very high	94.4	Very high	77 Å²	77	36.8 Å²	36.8	54%	0.538	22%	0.223	S	C	.	.	H	α-helix	trans	-57.2	-33.8	175	55.5	0	0	0	0	113.4	S92 P196	S92-S198 PolarHBondContact O-OG 2.73Å; S92-S198 VanDerWaalsContact O-OG 3.04Å; P196-S198 PolarHBondContact O-N 2.82Å; P196-S198 VanDerWaalsContact O-N 3.11Å
199	L	94.1	Very high	94.3	Very high	6 Å²	6	36.8 Å²	36.8	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-101.9	-26.1	179.7	-67.6	176.6	0	0	0	112.7	A95 K131 P196 E197 S201 S202 V203	A95-L199 HydrophobicContact CB-CD1 3.67Å; K131-L199 HydrophobicContact CB-CD2 4.11Å; P196-L199 PolarHBondContact O-N 2.87Å; E197-L199 PolarHBondContact O-N 3.43Å; L199-S201 PolarHBondContact O-N 2.81Å; L199-S201 VanDerWaalsContact O-N 3.09Å; L199-S202 PolarHBondContact O-N 3.42Å; L199-V203 WeakPolarHBondContact O-CG2 3.47Å; L199-V203 PolarHBondContact O-N 3.14Å; L199-V203 VanDerWaalsContact O-N 3.11Å
200	A	93.6	Very high	94.2	Very high	26 Å²	26	35.7 Å²	35.7	22%	0.215	22%	0.217	C	C	.	.	H	α-helix	trans	-55.3	-33.8	-173.5	0	0	0	0	0	113.8	V195 P196 E197 S202 V203 P204 A207	V195-A200 HydrophobicContact CG1-CB 4.3Å; P196-A200 PolarHBondContact O-N 2.88Å; E197-A200 PolarHBondContact O-N 2.84Å; A200-S202 VanDerWaalsContact C-N 3.34Å; A200-V203 CarbonylContact O-C 3.55Å; A200-P204 VanDerWaalsContact O-CA 3.28Å; A200-P204 WeakPolarHBondContact O-CA 3.24Å; A200-P204 VanDerWaalsContact O-N 3.11Å; A200-A207 HydrophobicContact CB-CB 4.1Å
201	S	91.7	Very high	93.7	Very high	98 Å²	98	38.8 Å²	38.8	69%	0.685	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-29	176.6	61.9	0	0	0	0	113.7	L199	L199-S201 PolarHBondContact O-N 2.81Å; L199-S201 VanDerWaalsContact O-N 3.09Å
202	S	95.3	Very high	92.4	Very high	62 Å²	62	41.9 Å²	41.9	43%	0.434	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-27	178	-61.3	0	0	0	0	112.3	L199 A200 P204	L199-S202 PolarHBondContact O-N 3.42Å; A200-S202 VanDerWaalsContact C-N 3.34Å; S202-P204 VanDerWaalsContact C-CD 3.41Å
203	V	96.4	Very high	90.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.255	C	S	.	.			trans	-128.9	54.4	-178.9	-64.6	0	0	0	0	112.9	L129 L173 F176 V195 L199 A200 A205 L206 A207	L129-V203 HydrophobicContact CD1-CG1 4.25Å; L173-V203 HydrophobicContact CD1-CG1 3.94Å; F176-V203 HydrophobicContact CB-CG1 3.6Å; V195-V203 HydrophobicContact CG1-CG2 4.16Å; L199-V203 WeakPolarHBondContact O-CG2 3.47Å; L199-V203 PolarHBondContact O-N 3.14Å; L199-V203 VanDerWaalsContact O-N 3.11Å; A200-V203 CarbonylContact O-C 3.55Å; V203-A205 VanDerWaalsContact C-N 3.26Å; V203-A205 PolarHBondContact O-N 2.83Å; V203-A205 VanDerWaalsContact O-N 3.16Å; V203-L206 HydrophobicContact CB-CB 3.89Å; V203-L206 HydrophobicContact CB-CD2 4.38Å; V203-L206 HydrophobicContact CG2-CB 4.11Å; V203-L206 HydrophobicContact CG2-CD2 4.18Å; V203-L206 WeakPolarHBondContact O-CB 3.48Å; V203-L206 PolarHBondContact O-N 3.04Å; V203-A207 PolarHBondContact O-N 3.28Å
204	P	95.8	Very high	88.1	Confident	67 Å²	67	48.2 Å²	48.2	44%	0.435	28%	0.279	S	S	.	.	H	α-helix	trans	-59.9	-31.6	-173.1	22.5	-34.3	0	0	0	114	Q177 A200 S202 A208	Q177-P204 VanDerWaalsContact OE1-CG 3.29Å; Q177-P204 VanDerWaalsContact OE1-N 3.16Å; A200-P204 VanDerWaalsContact O-CA 3.28Å; A200-P204 WeakPolarHBondContact O-CA 3.24Å; A200-P204 VanDerWaalsContact O-N 3.11Å; S202-P204 VanDerWaalsContact C-CD 3.41Å; P204-A208 WeakPolarHBondContact O-CB 3.05Å; P204-A208 PolarHBondContact O-N 3.34Å
205	A	95.4	Very high	85.5	Confident	5 Å²	5	50.7 Å²	50.7	4%	0.041	29%	0.292	C	S	.	.	H	α-helix	trans	-68.1	-36.7	175.5	0	0	0	0	0	112.3	E181 Q184 V203 A208 V209	E181-A205 HydrophobicContact CG-CB 3.83Å; Q184-A205 PolarHBondContact NE2-O 2.93Å; V203-A205 VanDerWaalsContact C-N 3.26Å; V203-A205 PolarHBondContact O-N 2.83Å; V203-A205 VanDerWaalsContact O-N 3.16Å; A205-A208 PolarHBondContact O-N 2.92Å; A205-V209 WeakPolarHBondContact O-CG2 3.29Å; A205-V209 PolarHBondContact O-N 2.84Å
206	L	95.1	Very high	83	Confident	0 Å²	0	55 Å²	55	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-68.7	-45.6	176.4	-161.8	70.2	0	0	0	110.4	I97 V127 L129 F176 L183 V203 A208 V209 C210	I97-L206 HydrophobicContact CD1-CD1 3.37Å; I97-L206 HydrophobicContact CD1-CG 3.55Å; I97-L206 WeakPolarHBondContact CD1-O 3.44Å; I97-L206 HydrophobicContact CG1-CD1 4.06Å; I97-L206 HydrophobicContact CG1-CG 4.11Å; V127-L206 HydrophobicContact CG1-CD1 4.23Å; V127-L206 HydrophobicContact CG1-CD2 3.95Å; L129-L206 HydrophobicContact CD2-CD2 3.53Å; F176-L206 HydrophobicContact CB-CD2 4.45Å; L183-L206 HydrophobicContact CD1-CD1 4.15Å; V203-L206 HydrophobicContact CB-CB 3.89Å; V203-L206 HydrophobicContact CB-CD2 4.38Å; V203-L206 HydrophobicContact CG2-CB 4.11Å; V203-L206 HydrophobicContact CG2-CD2 4.18Å; V203-L206 WeakPolarHBondContact O-CB 3.48Å; V203-L206 PolarHBondContact O-N 3.04Å; L206-A208 VanDerWaalsContact C-N 3.26Å; L206-A208 PolarHBondContact O-N 3.02Å; L206-V209 WeakPolarHBondContact O-CB 3.44Å; L206-V209 PolarHBondContact O-N 3.27Å; L206-C210 PolarHBondContact O-N 2.89Å; L206-C210 VanDerWaalsContact O-N 3.08Å
207	A	95.4	Very high	80.3	Confident	9 Å²	9	59.6 Å²	59.6	7%	0.074	36%	0.355	C	S	.	.	H	α-helix	trans	-55.6	-41.8	171.9	0	0	0	0	0	111.9	V195 A200 V203 V209 C210 N211	V195-A207 HydrophobicContact CB-CB 4.3Å; V195-A207 HydrophobicContact CG1-CB 3.91Å; A200-A207 HydrophobicContact CB-CB 4.1Å; V203-A207 PolarHBondContact O-N 3.28Å; A207-V209 PolarHBondContact O-N 3.23Å; A207-C210 PolarHBondContact O-N 3.16Å; A207-N211 WeakPolarHBondContact O-CB 3.41Å; A207-N211 VanDerWaalsContact O-CG 3.28Å; A207-N211 PolarHBondContact O-N 2.93Å; A207-N211 PolarHBondContact O-ND2 3.14Å
208	A	92.8	Very high	77.7	Confident	15 Å²	15	58 Å²	58	12%	0.124	35%	0.348	C	S	.	.	H	α-helix	trans	-67.7	-32.2	176.4	0	0	0	0	0	113.5	P204 A205 L206 K212	P204-A208 WeakPolarHBondContact O-CB 3.05Å; P204-A208 PolarHBondContact O-N 3.34Å; A205-A208 PolarHBondContact O-N 2.92Å; L206-A208 VanDerWaalsContact C-N 3.26Å; L206-A208 PolarHBondContact O-N 3.02Å; A208-K212 WeakPolarHBondContact O-CB 3.28Å; A208-K212 VanDerWaalsContact O-CG 3.23Å; A208-K212 WeakPolarHBondContact O-CG 3.3Å; A208-K212 PolarHBondContact O-N 3.25Å; A208-K212 VanDerWaalsContact O-N 3.07Å
209	V	93.5	Very high	75.2	Confident	8 Å²	8	63.8 Å²	63.8	5%	0.048	37%	0.368	C	S	.	.	H	α-helix	trans	-64.1	-43.8	172.6	170.4	0	0	0	0	110.3	I97 L183 Q184 P188 V190 A205 L206 A207	I97-V209 HydrophobicContact CD1-CB 3.91Å; I97-V209 HydrophobicContact CD1-CG1 3.75Å; I97-V209 HydrophobicContact CG2-CG1 4.37Å; L183-V209 HydrophobicContact CB-CG1 4.37Å; L183-V209 HydrophobicContact CB-CG2 3.97Å; Q184-V209 HydrophobicContact CB-CG2 4.49Å; Q184-V209 HydrophobicContact CG-CG2 3.47Å; Q184-V209 VanDerWaalsContact CG-CG2 3.47Å; P188-V209 HydrophobicContact CG-CG1 4.22Å; V190-V209 HydrophobicContact CG2-CG1 3.64Å; A205-V209 WeakPolarHBondContact O-CG2 3.29Å; A205-V209 PolarHBondContact O-N 2.84Å; L206-V209 WeakPolarHBondContact O-CB 3.44Å; L206-V209 PolarHBondContact O-N 3.27Å; A207-V209 PolarHBondContact O-N 3.23Å
210	C	93.1	Very high	72.8	Confident	4 Å²	4	69.3 Å²	69.3	3%	0.027	39%	0.392	C	S	.	.	H	α-helix	trans	-65.7	-48.4	176.3	-177.2	0	0	0	0	112.2	I97 C193 V195 L206 A207 K212 N213	I97-C210 HydrophobicContact CD1-CB 4.34Å; C193-C210 HydrophobicContact CB-CB 3.78Å; C193-C210 WeakPolarHBondContact CB-SG 3.2Å; C193-C210 WeakPolarHBondContact SG-CA 3.4Å; C193-C210 WeakPolarHBondContact SG-CB 3.45Å; C193-C210 CovalentContact SG-SG 2.04Å; C193-C210 PolarHBondContact SG-SG 2.94Å; V195-C210 HydrophobicContact CG2-CB 3.95Å; L206-C210 PolarHBondContact O-N 2.89Å; L206-C210 VanDerWaalsContact O-N 3.08Å; A207-C210 PolarHBondContact O-N 3.16Å; C210-K212 PolarHBondContact O-N 3.13Å; C210-N213 PolarHBondContact O-N 3.07Å
211	N	84.4	Confident	70.2	Confident	75 Å²	75	73.4 Å²	73.4	40%	0.401	42%	0.417	S	S	.	.	H	α-helix	trans	-68.9	-30.2	-176	-72.9	-27.7	0	0	0	114.7	A207 N213 L214 L215	A207-N211 WeakPolarHBondContact O-CB 3.41Å; A207-N211 VanDerWaalsContact O-CG 3.28Å; A207-N211 PolarHBondContact O-N 2.93Å; A207-N211 PolarHBondContact O-ND2 3.14Å; N211-N213 PolarHBondContact O-N 2.5Å; N211-N213 VanDerWaalsContact O-N 3.15Å; N211-L214 PolarHBondContact O-N 2.55Å; N211-L215 PolarHBondContact O-N 3.47Å
212	K	66.9	Low	67.8	Low	92 Å²	92	78 Å²	78	40%	0.4	43%	0.427	S	S	.	.	H	α-helix	trans	-63.5	-18.2	179.8	-84.7	177.4	-179.6	176.7	0	113.6	A208 C210 F220	A208-K212 WeakPolarHBondContact O-CB 3.28Å; A208-K212 VanDerWaalsContact O-CG 3.23Å; A208-K212 WeakPolarHBondContact O-CG 3.3Å; A208-K212 PolarHBondContact O-N 3.25Å; A208-K212 VanDerWaalsContact O-N 3.07Å; C210-K212 PolarHBondContact O-N 3.13Å; K212-F220 HydrophobicContact CG-CE2 4.28Å
213	N	52.5	Low	65.5	Low	58 Å²	58	80.8 Å²	80.8	31%	0.31	44%	0.441	S	S	.	.	H	α-helix	trans	-91	-20.3	173.2	-79.9	1.9	0	0	0	113.5	V190 C210 N211	V190-N213 WeakPolarHBondContact CA-ND2 3.49Å; V190-N213 VanDerWaalsContact CB-ND2 3.29Å; V190-N213 WeakPolarHBondContact CB-ND2 3.21Å; V190-N213 PolarHBondContact N-ND2 2.81Å; V190-N213 VanDerWaalsContact N-ND2 3.11Å; V190-N213 PolarHBondContact O-ND2 2.81Å; C210-N213 PolarHBondContact O-N 3.07Å; N211-N213 PolarHBondContact O-N 2.5Å; N211-N213 VanDerWaalsContact O-N 3.15Å
214	L	49	Very low	63.3	Low	130 Å²	130	90 Å²	90	68%	0.681	48%	0.481	S	S	*	.	H	α-helix	trans	-82.2	-29.7	173	-66.3	173.6	0	0	0	112.8	N211	N211-L214 PolarHBondContact O-N 2.55Å
215	L	40.1	Very low	61.7	Low	114 Å²	114	91.5 Å²	91.5	60%	0.597	49%	0.489	S	S	*	.			trans	-129.4	77.3	-177.6	-64.4	172.3	0	0	0	110.9	N211 S217	N211-L215 PolarHBondContact O-N 3.47Å; L215-S217 PolarHBondContact O-N 2.79Å
216	S	41.8	Very low	61.3	Low	112 Å²	112	95.2 Å²	95.2	78%	0.783	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	84.1	157.9	168.3	0	0	0	0	108.8
217	S	38.3	Very low	61.2	Low	111 Å²	111	97.2 Å²	97.2	78%	0.776	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	152.2	28.1	153.4	59.3	0	0	0	0	117.4	L215	L215-S217 PolarHBondContact O-N 2.79Å
218	Q	34.3	Very low	61.2	Low	150 Å²	150	98.8 Å²	98.8	70%	0.701	53%	0.532	S	S	*	.			trans	-122.8	127.5	170.4	-75.6	-173.5	-11	0	0	114.7	F220	Q218-F220 PolarHBondContact O-N 2.96Å; Q218-F220 VanDerWaalsContact O-N 3.14Å
219	M	40.4	Very low	61.4	Low	197 Å²	197	101.6 Å²	101.6	97%	0.97	54%	0.54	S	S	*	.			trans	-44.7	105.9	179.7	-91.1	176.1	-109	0	0	112.2
220	F	43.4	Very low	61.7	Low	122 Å²	122	103.5 Å²	103.5	54%	0.535	55%	0.553	S	S	.	*			trans	-86.9	136.8	150.4	-69	-80.8	0	0	0	107.9	K212 Q218 H222	K212-F220 HydrophobicContact CG-CE2 4.28Å; Q218-F220 PolarHBondContact O-N 2.96Å; Q218-F220 VanDerWaalsContact O-N 3.14Å; F220-H222 PolarHBondContact O-N 3.09Å
221	P	38.7	Very low	61.9	Low	113 Å²	113	104.6 Å²	104.6	73%	0.734	56%	0.56	S	S	*	*			trans	-54.9	135.7	179.8	21.6	-30.2	0	0	0	109.4	V223	P221-V223 VanDerWaalsContact C-N 3.26Å; P221-V223 PolarHBondContact O-N 3.46Å
222	H	41.9	Very low	62.6	Low	195 Å²	195	104.8 Å²	104.8	90%	0.903	56%	0.564	S	S	*	*			trans	-54.2	82.1	-179	-78.5	-75.4	0	0	0	112	F220 K224	F220-H222 PolarHBondContact O-N 3.09Å; H222-K224 PolarHBondContact O-N 3.06Å
223	V	46.4	Very low	64.1	Low	119 Å²	119	100.4 Å²	100.4	72%	0.721	55%	0.545	S	S	*	.			trans	-63.5	121.3	156.3	-178.1	0	0	0	0	104.7	P221 T225	P221-V223 VanDerWaalsContact C-N 3.26Å; P221-V223 PolarHBondContact O-N 3.46Å; V223-T225 PolarHBondContact O-N 3.24Å
224	K	49.8	Very low	66.3	Low	194 Å²	194	99.6 Å²	99.6	84%	0.843	54%	0.542	S	S	*	.			trans	-49.8	107.9	172.1	-79.4	-177.5	177.3	179.8	0	107	H222 V226	H222-K224 PolarHBondContact O-N 3.06Å; K224-V226 PolarHBondContact O-N 2.85Å
225	T	62.8	Low	68.7	Low	99 Å²	99	93.7 Å²	93.7	61%	0.607	51%	0.512	S	S	*	.			trans	-70	102	-179.1	36.9	0	0	0	0	106.8	V223 S227	V223-T225 PolarHBondContact O-N 3.24Å; T225-S227 PolarHBondContact O-N 3.3Å
226	V	86.3	Confident	71.4	Confident	82 Å²	82	91.6 Å²	91.6	50%	0.497	50%	0.504	S	S	.	.			trans	-60.2	135.7	166.9	-66.8	0	0	0	0	107.7	I185 K224 N228 R229	I185-V226 HydrophobicContact CD1-CG2 3.68Å; I185-V226 HydrophobicContact CG1-CG2 4.15Å; K224-V226 PolarHBondContact O-N 2.85Å; V226-N228 PolarHBondContact O-N 2.95Å; V226-R229 HydrophobicContact CG2-CB 4.38Å
227	S	92.4	Very high	74.1	Confident	42 Å²	42	88.2 Å²	88.2	29%	0.294	49%	0.487	S	S	.	.	S	Bend	trans	-66	-26.6	178.2	44.3	0	0	0	0	112.1	T225 K246 G247	T225-S227 PolarHBondContact O-N 3.3Å; S227-K246 CarbonylContact O-C 3.47Å; S227-K246 WeakPolarHBondContact O-CA 3.4Å; S227-G247 PolarHBondContact O-N 3.38Å
228	N	96.8	Very high	76.9	Confident	42 Å²	42	85.3 Å²	85.3	23%	0.225	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	156.1	-176.3	61.4	-55.2	0	0	0	110.8	V226 A245 K246 F250 W258	V226-N228 PolarHBondContact O-N 2.95Å; N228-A245 CarbonylContact C-O 3.59Å; N228-A245 WeakPolarHBondContact CA-O 3.35Å; N228-A245 WeakPolarHBondContact CB-O 3.4Å; N228-K246 HydrophobicContact CB-CB 4.19Å; N228-F250 HydrophobicContact CB-CD2 3.58Å; N228-F250 HydrophobicContact CB-CE2 3.99Å; N228-F250 HydrophobicContact CB-CG 4.36Å; N228-F250 WeakPolarHBondContact ND2-CE2 3.35Å; N228-W258 HydrophobicContact CB-CE3 4.13Å; N228-W258 HydrophobicContact CB-CH2 3.77Å; N228-W258 HydrophobicContact CB-CZ2 4.25Å; N228-W258 HydrophobicContact CB-CZ3 3.7Å; N228-W258 VanDerWaalsContact ND2-CE2 3.34Å
229	R	97.3	Very high	80	Confident	74 Å²	74	79.3 Å²	79.3	28%	0.279	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	131.9	175.9	179.3	-177.6	171.6	-138.5	4.3	111	E181 Q182 I185 V226 A245 W258	E181-R229 IonicContact OE2-CZ 3.38Å; E181-R229 IonicContact OE2-NH1 3.84Å; E181-R229 PolarHBondContact OE2-NH1 2.97Å; E181-R229 IonicContact OE2-NH2 3.66Å; Q182-R229 PolarHBondContact NE2-O 3.48Å; Q182-R229 PolarHBondContact OE1-O 3.08Å; I185-R229 HydrophobicContact CD1-CB 3.52Å; V226-R229 HydrophobicContact CG2-CB 4.38Å; R229-A245 PolarHBondContact N-O 3.02Å; R229-A245 PolarHBondContact O-N 3.04Å; R229-W258 WeakPolarHBondContact O-CH2 3.14Å
230	S	98.3	Very high	82.7	Confident	48 Å²	48	72.2 Å²	72.2	34%	0.336	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	143.6	166.2	55.5	0	0	0	0	110.3	S243	S230-S243 CarbonylContact C-O 3.58Å; S230-S243 WeakPolarHBondContact CA-O 3.33Å
231	V	98.3	Very high	85.3	Confident	27 Å²	27	66.4 Å²	66.4	16%	0.164	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	142.1	177.8	66	0	0	0	0	110.5	T178 Q182 L233 I242 S243	T178-V231 HydrophobicContact CG2-CB 4.37Å; T178-V231 HydrophobicContact CG2-CG1 3.75Å; T178-V231 HydrophobicContact CG2-CG2 3.9Å; Q182-V231 HydrophobicContact CG-CG1 4.05Å; Q182-V231 VanDerWaalsContact NE2-CG1 3.33Å; V231-L233 HydrophobicContact CG1-CD2 4.14Å; V231-L233 HydrophobicContact CG1-CG 4.22Å; V231-I242 WeakPolarHBondContact O-CA 3.36Å; V231-S243 PolarHBondContact N-O 3Å; V231-S243 PolarHBondContact O-N 2.75Å
232	T	98.6	Very high	88.2	Confident	79 Å²	79	62.5 Å²	62.5	49%	0.485	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	127	170.1	-56.8	0	0	0	0	110.1	D240 F241	T232-D240 HydrophobicContact CG2-CB 3.87Å; T232-F241 CarbonylContact C-O 3.54Å; T232-F241 VanDerWaalsContact CA-O 3.24Å; T232-F241 WeakPolarHBondContact CA-O 3.35Å
233	L	98.7	Very high	90.9	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	116.6	173.7	-59.4	175.7	0	0	0	108.2	W136 Y171 T178 I179 V231 F241	W136-L233 HydrophobicContact CE3-CD1 4.31Å; W136-L233 HydrophobicContact CZ3-CD1 3.96Å; Y171-L233 HydrophobicContact CD1-CB 4.39Å; Y171-L233 HydrophobicContact CE1-CB 3.55Å; T178-L233 HydrophobicContact CG2-CD2 3.67Å; I179-L233 HydrophobicContact CD1-CD1 4.46Å; I179-L233 HydrophobicContact CG1-CD1 3.81Å; V231-L233 HydrophobicContact CG1-CD2 4.14Å; V231-L233 HydrophobicContact CG1-CG 4.22Å; L233-F241 PolarHBondContact N-O 2.98Å; L233-F241 PolarHBondContact O-N 2.98Å
234	T	98.8	Very high	93.4	Very high	41 Å²	41	47.8 Å²	47.8	25%	0.252	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	124.9	175.8	-49.1	0	0	0	0	109.5	Y171 T239 D240	Y171-T234 WeakPolarHBondContact CD1-O 3.49Å; T234-T239 WeakPolarHBondContact CA-O 3.43Å; T234-D240 PolarHBondContact OG1-OD1 3.3Å
235	S	98.8	Very high	95.7	Very high	5 Å²	5	38.5 Å²	38.5	4%	0.035	25%	0.245	C	C	.	.			trans	-68	167.5	176.4	74.2	0	0	0	0	112.2	D32 T170 G237 G238 T239	D32-S235 WeakPolarHBondContact OD1-CB 3Å; D32-S235 PolarHBondContact OD1-OG 3.02Å; D32-S235 PolarHBondContact OD2-OG 2.79Å; T170-S235 WeakPolarHBondContact O-CA 3.45Å; T170-S235 VanDerWaalsContact O-CB 3.29Å; T170-S235 WeakPolarHBondContact O-CB 3.31Å; S235-G237 PolarHBondContact O-N 2.72Å; S235-G238 PolarHBondContact O-N 3.22Å; S235-T239 PolarHBondContact N-O 2.89Å; S235-T239 WeakPolarHBondContact OG-CB 3.43Å; S235-T239 PolarHBondContact OG-N 2.9Å; S235-T239 PolarHBondContact OG-O 2.75Å
236	T	98.3	Very high	97.3	Very high	71 Å²	71	33.9 Å²	33.9	44%	0.436	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-36.4	178.6	-59.5	0	0	0	0	112.1	T170 Y171 G238	T170-T236 PolarHBondContact O-N 3.15Å; Y171-T236 VanDerWaalsContact C-OG1 3.25Å; T236-G238 VanDerWaalsContact C-N 3.26Å; T236-G238 PolarHBondContact O-N 2.89Å
237	G	97.4	Very high	97.8	Very high	41 Å²	41	30.1 Å²	30.1	42%	0.423	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	11.4	175.2	0	0	0	0	0	114.9	D32 K59 S235	D32-G237 VanDerWaalsContact CG-CA 3.44Å; D32-G237 VanDerWaalsContact OD1-CA 3.24Å; D32-G237 WeakPolarHBondContact OD1-CA 3.42Å; D32-G237 PolarHBondContact OD1-N 3.29Å; D32-G237 WeakPolarHBondContact OD2-CA 3.39Å; K59-G237 PolarHBondContact NZ-O 2.53Å; S235-G237 PolarHBondContact O-N 2.72Å
238	G	97.9	Very high	97.8	Very high	50 Å²	50	29.6 Å²	29.6	52%	0.515	19%	0.192	S	C	.	.	S	Bend	trans	83.2	14.8	171.5	0	0	0	0	0	115.7	S235 T236	S235-G238 PolarHBondContact O-N 3.22Å; T236-G238 VanDerWaalsContact C-N 3.26Å; T236-G238 PolarHBondContact O-N 2.89Å
239	T	98.1	Very high	97.6	Very high	23 Å²	23	35 Å²	35	14%	0.141	21%	0.214	C	C	.	.			trans	-85.9	126.9	177.5	-49.2	0	0	0	0	109.9	D32 W33 K59 T234 S235 F241 L350	D32-T239 PolarHBondContact OD2-OG1 3.31Å; W33-T239 PolarHBondContact NE1-OG1 3.49Å; W33-T239 VanDerWaalsContact NE1-OG1 3.12Å; K59-T239 PolarHBondContact NZ-OG1 3.26Å; T234-T239 WeakPolarHBondContact CA-O 3.43Å; S235-T239 PolarHBondContact N-O 2.89Å; S235-T239 WeakPolarHBondContact OG-CB 3.43Å; S235-T239 PolarHBondContact OG-N 2.9Å; S235-T239 PolarHBondContact OG-O 2.75Å; T239-F241 HydrophobicContact CG2-CD2 4.31Å; T239-F241 HydrophobicContact CG2-CE2 3.64Å; T239-F241 HydrophobicContact CG2-CZ 3.9Å; T239-L350 HydrophobicContact CG2-CD1 3.49Å; T239-L350 VanDerWaalsContact CG2-CD1 3.49Å
240	D	97.9	Very high	97.5	Very high	48 Å²	48	33.2 Å²	33.2	26%	0.257	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	123.3	176.7	-66.8	-35	0	0	0	111.5	T232 T234 R324	T232-D240 HydrophobicContact CG2-CB 3.87Å; T234-D240 PolarHBondContact OG1-OD1 3.3Å; D240-R324 IonicContact OD2-CZ 3.63Å; D240-R324 IonicContact OD2-NH1 2.97Å; D240-R324 PolarHBondContact OD2-NH1 3.37Å; D240-R324 IonicContact OD2-NH2 3.67Å; D240-R324 PolarHBondContact OD2-NH2 3.29Å
241	F	98.7	Very high	97.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	147.1	169.7	-65.4	-93.2	0	0	0	110.4	W33 I167 V169 T232 L233 T239 V348 C349 L350	W33-F241 HydrophobicContact CB-CE2 4.43Å; W33-F241 HydrophobicContact CB-CZ 3.86Å; W33-F241 AromaticContact CD1-CE2 3.89Å; W33-F241 AromaticContact CD1-CZ 3.6Å; W33-F241 HydrophobicContact CD2-CZ 4.17Å; W33-F241 HydrophobicContact CG-CE2 4.25Å; W33-F241 AromaticContact CG-CZ 3.61Å; W33-F241 HydrophobicContact CG-CZ 3.61Å; I167-F241 HydrophobicContact CD1-CD1 4.26Å; I167-F241 HydrophobicContact CD1-CE1 4.01Å; V169-F241 HydrophobicContact CB-CE2 4.38Å; V169-F241 HydrophobicContact CG1-CD2 3.86Å; V169-F241 HydrophobicContact CG1-CE2 3.55Å; V169-F241 HydrophobicContact CG1-CZ 4.2Å; V169-F241 HydrophobicContact CG2-CD1 4.25Å; V169-F241 HydrophobicContact CG2-CD2 4.19Å; V169-F241 HydrophobicContact CG2-CE1 3.92Å; V169-F241 HydrophobicContact CG2-CE2 3.87Å; V169-F241 HydrophobicContact CG2-CG 4.37Å; V169-F241 HydrophobicContact CG2-CZ 3.73Å; T232-F241 CarbonylContact C-O 3.54Å; T232-F241 VanDerWaalsContact CA-O 3.24Å; T232-F241 WeakPolarHBondContact CA-O 3.35Å; L233-F241 PolarHBondContact N-O 2.98Å; L233-F241 PolarHBondContact O-N 2.98Å; T239-F241 HydrophobicContact CG2-CD2 4.31Å; T239-F241 HydrophobicContact CG2-CE2 3.64Å; T239-F241 HydrophobicContact CG2-CZ 3.9Å; F241-V348 HydrophobicContact CB-CG1 3.87Å; F241-V348 HydrophobicContact CD1-CG1 3.88Å; F241-V348 HydrophobicContact CG-CG1 4.19Å; F241-C349 CarbonylContact C-O 3.51Å; F241-C349 VanDerWaalsContact CA-O 3.32Å; F241-C349 WeakPolarHBondContact CA-O 3.37Å; F241-L350 HydrophobicContact CD1-CB 3.86Å; F241-L350 HydrophobicContact CD1-CD1 4.26Å; F241-L350 HydrophobicContact CD1-CG 4.48Å; F241-L350 HydrophobicContact CE1-CB 3.74Å; F241-L350 HydrophobicContact CE1-CD1 4.01Å; F241-L350 HydrophobicContact CE1-CD2 3.82Å; F241-L350 HydrophobicContact CE1-CG 4.06Å; F241-L350 HydrophobicContact CZ-CD1 4.26Å; F241-L350 HydrophobicContact CZ-CD2 4.15Å
242	I	98.6	Very high	97.3	Very high	32 Å²	32	36.7 Å²	36.7	16%	0.164	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	115.6	169.6	-53.6	176.5	0	0	0	108.5	V231 F244 L263 W328 V348 C349	V231-I242 WeakPolarHBondContact O-CA 3.36Å; I242-F244 HydrophobicContact CB-CD2 4.47Å; I242-F244 HydrophobicContact CB-CE2 3.95Å; I242-F244 HydrophobicContact CG2-CD2 3.85Å; I242-F244 HydrophobicContact CG2-CE2 3.38Å; I242-F244 HydrophobicContact CG2-CZ 3.82Å; I242-L263 HydrophobicContact CD1-CD2 4.05Å; I242-W328 HydrophobicContact CD1-CH2 3.65Å; I242-W328 HydrophobicContact CD1-CZ3 3.84Å; I242-W328 HydrophobicContact CG1-CH2 4.49Å; I242-W328 HydrophobicContact CG1-CZ3 4.36Å; I242-V348 WeakPolarHBondContact O-CA 3.1Å; I242-C349 HydrophobicContact CB-CB 4.43Å; I242-C349 PolarHBondContact N-O 2.97Å; I242-C349 PolarHBondContact O-N 3.39Å
243	S	98.8	Very high	97.3	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	123.5	169.7	177.4	0	0	0	0	109.5	Q182 S230 V231	Q182-S243 PolarHBondContact OE1-OG 2.95Å; S230-S243 CarbonylContact C-O 3.58Å; S230-S243 WeakPolarHBondContact CA-O 3.33Å; V231-S243 PolarHBondContact N-O 3Å; V231-S243 PolarHBondContact O-N 2.75Å
244	F	98.8	Very high	97.2	Very high	1 Å²	1	33.5 Å²	33.5	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	115.4	169.2	-69.5	-97.6	0	0	0	109.3	I242 W258 V259 T262 L263 G346 T347 C349	I242-F244 HydrophobicContact CB-CD2 4.47Å; I242-F244 HydrophobicContact CB-CE2 3.95Å; I242-F244 HydrophobicContact CG2-CD2 3.85Å; I242-F244 HydrophobicContact CG2-CE2 3.38Å; I242-F244 HydrophobicContact CG2-CZ 3.82Å; F244-W258 HydrophobicContact CB-CH2 4.04Å; F244-W258 HydrophobicContact CB-CZ3 3.93Å; F244-W258 AromaticContact CD1-CD2 3.96Å; F244-W258 HydrophobicContact CD1-CD2 3.96Å; F244-W258 AromaticContact CD1-CE2 3.78Å; F244-W258 HydrophobicContact CD1-CE3 4.08Å; F244-W258 AromaticContact CD1-CH2 3.79Å; F244-W258 HydrophobicContact CD1-CH2 3.79Å; F244-W258 AromaticContact CD1-CZ2 3.72Å; F244-W258 HydrophobicContact CD1-CZ2 3.72Å; F244-W258 AromaticContact CD1-CZ3 3.97Å; F244-W258 HydrophobicContact CD1-CZ3 3.97Å; F244-W258 HydrophobicContact CE1-CD2 4.5Å; F244-W258 HydrophobicContact CE1-CZ2 4.37Å; F244-W258 HydrophobicContact CG-CH2 4.39Å; F244-W258 HydrophobicContact CG-CZ3 4.48Å; F244-V259 HydrophobicContact CB-CG2 4.38Å; F244-V259 HydrophobicContact CD1-CG2 3.94Å; F244-V259 HydrophobicContact CD2-CG2 4.36Å; F244-V259 HydrophobicContact CE1-CG2 4.28Å; F244-V259 HydrophobicContact CE2-CG1 4.39Å; F244-V259 HydrophobicContact CG-CG2 4Å; F244-V259 HydrophobicContact CZ-CG1 4.42Å; F244-T262 HydrophobicContact CE1-CG2 3.73Å; F244-T262 HydrophobicContact CZ-CG2 3.79Å; F244-L263 HydrophobicContact CE2-CD2 4.15Å; F244-L263 HydrophobicContact CE2-CG 4.49Å; F244-L263 HydrophobicContact CZ-CD2 3.94Å; F244-L263 HydrophobicContact CZ-CG 4.18Å; F244-G346 CarbonylContact O-C 3.38Å; F244-G346 WeakPolarHBondContact O-CA 3.37Å; F244-T347 HydrophobicContact CB-CG2 4.12Å; F244-T347 HydrophobicContact CD2-CG2 4.23Å; F244-T347 HydrophobicContact CG-CG2 4.48Å; F244-T347 PolarHBondContact N-O 3.19Å; F244-T347 PolarHBondContact O-N 3.04Å; F244-C349 HydrophobicContact CE2-CB 4.32Å
245	A	98.3	Very high	97.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.6	171	0	0	0	0	0	111.3	Q182 I185 N186 N228 R229 W258	Q182-A245 HydrophobicContact CB-CB 4.15Å; I185-A245 HydrophobicContact CB-CB 4.11Å; I185-A245 HydrophobicContact CG2-CB 3.99Å; N186-A245 WeakPolarHBondContact ND2-CA 3.4Å; N186-A245 VanDerWaalsContact ND2-CB 3.28Å; N186-A245 WeakPolarHBondContact ND2-CB 3.18Å; N228-A245 CarbonylContact C-O 3.59Å; N228-A245 WeakPolarHBondContact CA-O 3.35Å; N228-A245 WeakPolarHBondContact CB-O 3.4Å; R229-A245 PolarHBondContact N-O 3.02Å; R229-A245 PolarHBondContact O-N 3.04Å; A245-W258 WeakPolarHBondContact O-CH2 3.48Å; A245-W258 WeakPolarHBondContact O-CZ3 3.45Å
246	K	97.4	Very high	97.2	Very high	1 Å²	1	31.7 Å²	31.7	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	152.5	164.3	60.3	169.7	-76.3	-169.5	0	110.5	S227 N228 F250 D252 L254 I334 E340 E341 R343 G344 G345	S227-K246 CarbonylContact O-C 3.47Å; S227-K246 WeakPolarHBondContact O-CA 3.4Å; N228-K246 HydrophobicContact CB-CB 4.19Å; K246-F250 HydrophobicContact CB-CB 3.86Å; K246-F250 HydrophobicContact CB-CD1 4.07Å; K246-F250 HydrophobicContact CB-CD2 4.47Å; K246-F250 HydrophobicContact CB-CG 3.87Å; K246-F250 HydrophobicContact CD-CD1 3.74Å; K246-F250 HydrophobicContact CD-CE1 4.31Å; K246-F250 HydrophobicContact CD-CG 4.38Å; K246-D252 PolarHBondContact NZ-O 3.02Å; K246-L254 HydrophobicContact CD-CB 3.92Å; K246-L254 HydrophobicContact CD-CD1 4.11Å; K246-L254 HydrophobicContact CD-CG 4.48Å; K246-L254 HydrophobicContact CG-CD1 4.17Å; K246-I334 HydrophobicContact CD-CD1 3.93Å; K246-I334 HydrophobicContact CG-CD1 4.01Å; K246-E340 PolarHBondContact NZ-O 3.29Å; K246-E341 VanDerWaalsContact NZ-C 3.31Å; K246-E341 VanDerWaalsContact NZ-CA 3.35Å; K246-E341 PolarHBondContact NZ-O 2.99Å; K246-R343 VanDerWaalsContact CE-O 3.24Å; K246-R343 WeakPolarHBondContact CE-O 3.32Å; K246-G344 CarbonylContact O-C 3.57Å; K246-G344 WeakPolarHBondContact O-CA 2.96Å; K246-G345 VanDerWaalsContact CG-O 3.25Å; K246-G345 WeakPolarHBondContact CG-O 3.45Å; K246-G345 PolarHBondContact N-O 2.92Å; K246-G345 PolarHBondContact O-N 2.8Å
247	G	94.8	Very high	97.1	Very high	3 Å²	3	29.6 Å²	29.6	3%	0.031	18%	0.178	C	C	.	.			trans	-109.8	175.9	167.4	0	0	0	0	0	111.2	I185 S227 K249 F250	I185-G247 WeakPolarHBondContact O-CA 3.32Å; S227-G247 PolarHBondContact O-N 3.38Å; G247-K249 PolarHBondContact O-N 3.22Å; G247-K249 VanDerWaalsContact O-N 3.11Å; G247-F250 VanDerWaalsContact O-CB 3.23Å; G247-F250 WeakPolarHBondContact O-CB 3.39Å; G247-F250 PolarHBondContact O-N 3.43Å
248	A	92.4	Very high	97.2	Very high	32 Å²	32	29 Å²	29	26%	0.264	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-55.2	-32.2	-177.9	0	0	0	0	0	114.7	F250 D251 R342	A248-F250 PolarHBondContact O-N 3.06Å; A248-D251 PolarHBondContact O-N 2.92Å; A248-R342 VanDerWaalsContact CA-O 3.3Å; A248-R342 WeakPolarHBondContact CA-O 3.5Å; A248-R342 WeakPolarHBondContact CB-O 3.42Å
249	K	93.1	Very high	97.2	Very high	156 Å²	156	26.6 Å²	26.6	68%	0.678	14%	0.139	S	C	*	.	G	3₁₀ helix	trans	-74.1	-6.5	179.6	-67	-175.2	179.8	176.6	0	114.4	G247 D251	G247-K249 PolarHBondContact O-N 3.22Å; G247-K249 VanDerWaalsContact O-N 3.11Å; K249-D251 VanDerWaalsContact C-N 3.32Å
250	F	95.7	Very high	97.2	Very high	35 Å²	35	25.5 Å²	25.5	15%	0.154	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-66.5	-37.9	173.8	-177.4	-104.1	0	0	0	111.3	N228 K246 G247 A248 D252 S257 W258	N228-F250 HydrophobicContact CB-CD2 3.58Å; N228-F250 HydrophobicContact CB-CE2 3.99Å; N228-F250 HydrophobicContact CB-CG 4.36Å; N228-F250 WeakPolarHBondContact ND2-CE2 3.35Å; K246-F250 HydrophobicContact CB-CB 3.86Å; K246-F250 HydrophobicContact CB-CD1 4.07Å; K246-F250 HydrophobicContact CB-CD2 4.47Å; K246-F250 HydrophobicContact CB-CG 3.87Å; K246-F250 HydrophobicContact CD-CD1 3.74Å; K246-F250 HydrophobicContact CD-CE1 4.31Å; K246-F250 HydrophobicContact CD-CG 4.38Å; G247-F250 VanDerWaalsContact O-CB 3.23Å; G247-F250 WeakPolarHBondContact O-CB 3.39Å; G247-F250 PolarHBondContact O-N 3.43Å; A248-F250 PolarHBondContact O-N 3.06Å; F250-D252 VanDerWaalsContact C-N 3.28Å; F250-D252 HydrophobicContact CD1-CB 4.02Å; F250-D252 WeakPolarHBondContact CD1-O 3.3Å; F250-D252 HydrophobicContact CE1-CB 3.71Å; F250-D252 WeakPolarHBondContact CE1-O 3.39Å; F250-D252 HydrophobicContact CZ-CB 4.3Å; F250-D252 PolarHBondContact O-N 2.71Å; F250-S257 WeakPolarHBondContact CE1-OG 3.15Å; F250-S257 WeakPolarHBondContact CZ-OG 3.39Å; F250-W258 HydrophobicContact CE2-CB 4.4Å; F250-W258 HydrophobicContact CE2-CD2 4.5Å; F250-W258 HydrophobicContact CE2-CE3 4.35Å; F250-W258 HydrophobicContact CZ-CB 3.78Å; F250-W258 HydrophobicContact CZ-CE3 4.29Å; F250-W258 HydrophobicContact CZ-CG 4.34Å
251	D	95.6	Very high	97.1	Very high	81 Å²	81	25 Å²	25	43%	0.433	13%	0.132	S	C	.	.			trans	52.1	39.7	169.4	-161.1	28	0	0	0	114.5	A248 K249 E341 R342	A248-D251 PolarHBondContact O-N 2.92Å; K249-D251 VanDerWaalsContact C-N 3.32Å; D251-E341 VanDerWaalsContact CA-O 3.23Å; D251-E341 WeakPolarHBondContact CA-O 3.49Å; D251-E341 PolarHBondContact N-O 2.82Å; D251-R342 WeakPolarHBondContact OD1-CD 3.49Å; D251-R342 WeakPolarHBondContact OD1-CG 3.24Å; D251-R342 IonicContact OD1-CZ 3.69Å; D251-R342 IonicContact OD1-NE 2.76Å; D251-R342 PolarHBondContact OD1-NE 3.11Å; D251-R342 IonicContact OD1-NH2 3.73Å; D251-R342 IonicContact OD2-NE 3.98Å
252	D	97	Very high	97	Very high	68 Å²	68	28 Å²	28	36%	0.364	15%	0.149	S	C	.	.	S	Bend	trans	-157.3	166.8	-179.3	-151.8	-27	0	0	0	111.2	K246 F250 L254 S257 E341	K246-D252 PolarHBondContact NZ-O 3.02Å; F250-D252 VanDerWaalsContact C-N 3.28Å; F250-D252 HydrophobicContact CD1-CB 4.02Å; F250-D252 WeakPolarHBondContact CD1-O 3.3Å; F250-D252 HydrophobicContact CE1-CB 3.71Å; F250-D252 WeakPolarHBondContact CE1-O 3.39Å; F250-D252 HydrophobicContact CZ-CB 4.3Å; F250-D252 PolarHBondContact O-N 2.71Å; D252-L254 PolarHBondContact O-N 3.39Å; D252-S257 WeakPolarHBondContact OD1-CB 3.38Å; D252-S257 VanDerWaalsContact OD2-CB 3.31Å; D252-S257 WeakPolarHBondContact OD2-CB 3.37Å; D252-E341 PolarHBondContact N-O 3.38Å
253	D	97.5	Very high	96.9	Very high	11 Å²	11	27 Å²	27	6%	0.059	15%	0.145	C	C	.	.			trans	-65.7	117.7	175.9	178.7	2.4	0	0	0	110.5	Y255 H256 S257 L279 R336	D253-Y255 PolarHBondContact O-N 2.82Å; D253-Y255 PolarHBondContact OD1-N 3.33Å; D253-H256 HydrophobicContact CB-CB 4.31Å; D253-H256 VanDerWaalsContact OD2-CB 3.24Å; D253-H256 WeakPolarHBondContact OD2-CB 3.03Å; D253-H256 PolarHBondContact OD2-N 3.4Å; D253-S257 VanDerWaalsContact O-CB 3.31Å; D253-S257 WeakPolarHBondContact O-CB 3.25Å; D253-S257 PolarHBondContact O-N 3.33Å; D253-S257 VanDerWaalsContact O-N 3.1Å; D253-S257 PolarHBondContact O-OG 2.93Å; D253-L279 HydrophobicContact CB-CD1 3.77Å; D253-R336 IonicContact OD1-NE 3.5Å; D253-R336 PolarHBondContact OD1-NE 3.48Å; D253-R336 IonicContact OD2-CZ 3.62Å; D253-R336 VanDerWaalsContact OD2-CZ 3.3Å; D253-R336 IonicContact OD2-NE 3.87Å; D253-R336 PolarHBondContact OD2-NE 3.35Å; D253-R336 IonicContact OD2-NH2 3.59Å; D253-R336 PolarHBondContact OD2-NH2 2.85Å
254	L	98.3	Very high	96.7	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-49.5	-45.8	177.8	176.7	60	0	0	0	112.5	K246 D252 W258 V259 I334 T347	K246-L254 HydrophobicContact CD-CB 3.92Å; K246-L254 HydrophobicContact CD-CD1 4.11Å; K246-L254 HydrophobicContact CD-CG 4.48Å; K246-L254 HydrophobicContact CG-CD1 4.17Å; D252-L254 PolarHBondContact O-N 3.39Å; L254-W258 HydrophobicContact CD1-CE3 3.66Å; L254-W258 HydrophobicContact CD1-CZ3 3.92Å; L254-V259 HydrophobicContact CD1-CG2 3.97Å; L254-V259 HydrophobicContact CG-CG2 3.97Å; L254-V259 WeakPolarHBondContact O-CG2 3.46Å; L254-V259 PolarHBondContact O-N 3.32Å; L254-I334 HydrophobicContact CD2-CB 4.42Å; L254-T347 HydrophobicContact CD2-CG2 4.36Å
255	Y	98.5	Very high	96.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.182	C	C	.	.	I	π-helix	trans	-81.9	-50.9	-168.7	-65.2	-80.7	0	0	0	112.2	D253 V259 A260 L267 V269 A313 R336 T347	D253-Y255 PolarHBondContact O-N 2.82Å; D253-Y255 PolarHBondContact OD1-N 3.33Å; Y255-V259 HydrophobicContact CD1-CB 4.34Å; Y255-V259 HydrophobicContact CD1-CG2 4.39Å; Y255-V259 PolarHBondContact O-N 3.38Å; Y255-A260 WeakPolarHBondContact O-CB 3.37Å; Y255-A260 PolarHBondContact O-N 2.87Å; Y255-L267 HydrophobicContact CD1-CD1 4.37Å; Y255-V269 HydrophobicContact CD1-CG1 4.41Å; Y255-V269 HydrophobicContact CD1-CG2 4.26Å; Y255-V269 HydrophobicContact CD2-CG1 3.97Å; Y255-V269 HydrophobicContact CE1-CG1 4.35Å; Y255-V269 HydrophobicContact CE2-CG1 3.87Å; Y255-V269 HydrophobicContact CG-CG1 4.22Å; Y255-V269 HydrophobicContact CG-CG2 4.11Å; Y255-A313 HydrophobicContact CD1-CB 3.8Å; Y255-A313 HydrophobicContact CE1-CB 3.6Å; Y255-R336 HydrophobicContact CD2-CG 3.7Å; Y255-R336 HydrophobicContact CE2-CG 4.07Å; Y255-T347 HydrophobicContact CE1-CG2 4.29Å
256	H	97.9	Very high	96.5	Very high	7 Å²	7	37.2 Å²	37.2	3%	0.032	19%	0.193	C	C	.	.	I	π-helix	trans	-72.3	-45.3	-177	179	-93.8	0	0	0	113	D253 W258 P261 N282 S284 V289	D253-H256 HydrophobicContact CB-CB 4.31Å; D253-H256 VanDerWaalsContact OD2-CB 3.24Å; D253-H256 WeakPolarHBondContact OD2-CB 3.03Å; D253-H256 PolarHBondContact OD2-N 3.4Å; H256-W258 VanDerWaalsContact C-N 3.35Å; H256-W258 PolarHBondContact O-N 3.33Å; H256-P261 VanDerWaalsContact O-CD 3.28Å; H256-P261 WeakPolarHBondContact O-CD 3.31Å; H256-P261 WeakPolarHBondContact O-CG 3.29Å; H256-N282 HydrophobicContact CB-CB 4.43Å; H256-N282 VanDerWaalsContact CD2-CG 3.49Å; H256-N282 PolarHBondContact CD2-O 3.29Å; H256-N282 VanDerWaalsContact CE1-CG 3.44Å; H256-N282 PolarHBondContact CE1-ND2 3.19Å; H256-N282 PolarHBondContact CE1-OD1 2.91Å; H256-N282 PolarHBondContact ND1-ND2 2.68Å; H256-N282 VanDerWaalsContact NE2-CG 3.34Å; H256-N282 PolarHBondContact NE2-OD1 2.52Å; H256-N282 VanDerWaalsContact NE2-OD1 3.16Å; H256-S284 PolarHBondContact CE1-OG 3.4Å; H256-S284 PolarHBondContact NE2-O 2.8Å; H256-S284 PolarHBondContact NE2-OG 2.94Å; H256-V289 HydrophobicContact CB-CB 4.2Å; H256-V289 HydrophobicContact CB-CG2 3.97Å
257	S	97.4	Very high	96.6	Very high	27 Å²	27	37.2 Å²	37.2	19%	0.189	19%	0.193	C	C	.	.	I	π-helix	trans	-76.9	-20.9	-175.5	73.9	0	0	0	0	113.6	F250 D252 D253	F250-S257 WeakPolarHBondContact CE1-OG 3.15Å; F250-S257 WeakPolarHBondContact CZ-OG 3.39Å; D252-S257 WeakPolarHBondContact OD1-CB 3.38Å; D252-S257 VanDerWaalsContact OD2-CB 3.31Å; D252-S257 WeakPolarHBondContact OD2-CB 3.37Å; D253-S257 VanDerWaalsContact O-CB 3.31Å; D253-S257 WeakPolarHBondContact O-CB 3.25Å; D253-S257 PolarHBondContact O-N 3.33Å; D253-S257 VanDerWaalsContact O-N 3.1Å; D253-S257 PolarHBondContact O-OG 2.93Å
258	W	97.9	Very high	96.7	Very high	29 Å²	29	37.1 Å²	37.1	11%	0.11	19%	0.191	C	C	.	.	I	π-helix	trans	-141	-53.7	-169.1	-173.8	36.3	0	0	0	116.5	N228 R229 F244 A245 F250 L254 H256 P261 T262	N228-W258 HydrophobicContact CB-CE3 4.13Å; N228-W258 HydrophobicContact CB-CH2 3.77Å; N228-W258 HydrophobicContact CB-CZ2 4.25Å; N228-W258 HydrophobicContact CB-CZ3 3.7Å; N228-W258 VanDerWaalsContact ND2-CE2 3.34Å; R229-W258 WeakPolarHBondContact O-CH2 3.14Å; F244-W258 HydrophobicContact CB-CH2 4.04Å; F244-W258 HydrophobicContact CB-CZ3 3.93Å; F244-W258 AromaticContact CD1-CD2 3.96Å; F244-W258 HydrophobicContact CD1-CD2 3.96Å; F244-W258 AromaticContact CD1-CE2 3.78Å; F244-W258 HydrophobicContact CD1-CE3 4.08Å; F244-W258 AromaticContact CD1-CH2 3.79Å; F244-W258 HydrophobicContact CD1-CH2 3.79Å; F244-W258 AromaticContact CD1-CZ2 3.72Å; F244-W258 HydrophobicContact CD1-CZ2 3.72Å; F244-W258 AromaticContact CD1-CZ3 3.97Å; F244-W258 HydrophobicContact CD1-CZ3 3.97Å; F244-W258 HydrophobicContact CE1-CD2 4.5Å; F244-W258 HydrophobicContact CE1-CZ2 4.37Å; F244-W258 HydrophobicContact CG-CH2 4.39Å; F244-W258 HydrophobicContact CG-CZ3 4.48Å; A245-W258 WeakPolarHBondContact O-CH2 3.48Å; A245-W258 WeakPolarHBondContact O-CZ3 3.45Å; F250-W258 HydrophobicContact CE2-CB 4.4Å; F250-W258 HydrophobicContact CE2-CD2 4.5Å; F250-W258 HydrophobicContact CE2-CE3 4.35Å; F250-W258 HydrophobicContact CZ-CB 3.78Å; F250-W258 HydrophobicContact CZ-CE3 4.29Å; F250-W258 HydrophobicContact CZ-CG 4.34Å; L254-W258 HydrophobicContact CD1-CE3 3.66Å; L254-W258 HydrophobicContact CD1-CZ3 3.92Å; H256-W258 VanDerWaalsContact C-N 3.35Å; H256-W258 PolarHBondContact O-N 3.33Å; W258-P261 WeakPolarHBondContact O-CD 3.4Å; W258-T262 VanDerWaalsContact CD1-OG1 3.27Å; W258-T262 PolarHBondContact NE1-OG1 2.99Å; W258-T262 VanDerWaalsContact O-CB 3.25Å; W258-T262 WeakPolarHBondContact O-CB 3.44Å; W258-T262 PolarHBondContact O-N 2.9Å; W258-T262 PolarHBondContact O-OG1 2.85Å
259	V	98.4	Very high	97	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.179	C	C	.	.	I	π-helix	trans	-64.2	-51.9	-176.6	178.9	0	0	0	0	111.4	F244 L254 Y255 T262 L263 L267 T347	F244-V259 HydrophobicContact CB-CG2 4.38Å; F244-V259 HydrophobicContact CD1-CG2 3.94Å; F244-V259 HydrophobicContact CD2-CG2 4.36Å; F244-V259 HydrophobicContact CE1-CG2 4.28Å; F244-V259 HydrophobicContact CE2-CG1 4.39Å; F244-V259 HydrophobicContact CG-CG2 4Å; F244-V259 HydrophobicContact CZ-CG1 4.42Å; L254-V259 HydrophobicContact CD1-CG2 3.97Å; L254-V259 HydrophobicContact CG-CG2 3.97Å; L254-V259 WeakPolarHBondContact O-CG2 3.46Å; L254-V259 PolarHBondContact O-N 3.32Å; Y255-V259 HydrophobicContact CD1-CB 4.34Å; Y255-V259 HydrophobicContact CD1-CG2 4.39Å; Y255-V259 PolarHBondContact O-N 3.38Å; V259-T262 PolarHBondContact O-N 2.04Å; V259-L263 HydrophobicContact CG1-CD1 3.6Å; V259-L263 HydrophobicContact CG1-CG 4.12Å; V259-L263 WeakPolarHBondContact O-CB 3.23Å; V259-L263 WeakPolarHBondContact O-CG 3.34Å; V259-L263 PolarHBondContact O-N 3.23Å; V259-L267 HydrophobicContact CB-CD1 4.35Å; V259-L267 HydrophobicContact CG1-CD1 3.93Å; V259-T347 HydrophobicContact CG2-CG2 4.05Å
260	A	98	Very high	97.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.9	-48.4	179.4	0	0	0	0	0	112.8	Y255 T262 L263 K264 S265 L267 W287 V289	Y255-A260 WeakPolarHBondContact O-CB 3.37Å; Y255-A260 PolarHBondContact O-N 2.87Å; A260-T262 PolarHBondContact O-N 2.65Å; A260-L263 PolarHBondContact O-N 2.91Å; A260-K264 WeakPolarHBondContact O-CA 3.48Å; A260-K264 PolarHBondContact O-N 2.83Å; A260-S265 WeakPolarHBondContact CB-O 3.39Å; A260-S265 PolarHBondContact O-N 3.29Å; A260-S265 VanDerWaalsContact O-N 3.16Å; A260-L267 HydrophobicContact CB-CD1 3.76Å; A260-L267 HydrophobicContact CB-CG 3.99Å; A260-W287 HydrophobicContact CB-CB 4.05Å; A260-W287 HydrophobicContact CB-CG 4.32Å; A260-V289 HydrophobicContact CB-CG2 3.72Å
261	P	96.8	Very high	97.4	Very high	38 Å²	38	26.5 Å²	26.5	25%	0.247	14%	0.139	C	C	.	.	H	α-helix	trans	-58.9	-41	173.2	-24.9	30.9	0	0	0	114.6	H256 W258 K264	H256-P261 VanDerWaalsContact O-CD 3.28Å; H256-P261 WeakPolarHBondContact O-CD 3.31Å; H256-P261 WeakPolarHBondContact O-CG 3.29Å; W258-P261 WeakPolarHBondContact O-CD 3.4Å; P261-K264 PolarHBondContact O-N 2.86Å
262	T	96.5	Very high	97.5	Very high	61 Å²	61	24.2 Å²	24.2	37%	0.374	13%	0.125	S	C	.	.	H	α-helix	trans	-68.3	-44.4	-178.7	-57.7	0	0	0	0	111.3	F244 W258 V259 A260 K264	F244-T262 HydrophobicContact CE1-CG2 3.73Å; F244-T262 HydrophobicContact CZ-CG2 3.79Å; W258-T262 VanDerWaalsContact CD1-OG1 3.27Å; W258-T262 PolarHBondContact NE1-OG1 2.99Å; W258-T262 VanDerWaalsContact O-CB 3.25Å; W258-T262 WeakPolarHBondContact O-CB 3.44Å; W258-T262 PolarHBondContact O-N 2.9Å; W258-T262 PolarHBondContact O-OG1 2.85Å; V259-T262 PolarHBondContact O-N 2.04Å; A260-T262 PolarHBondContact O-N 2.65Å; T262-K264 PolarHBondContact O-N 2.94Å
263	L	95.5	Very high	97.3	Very high	13 Å²	13	22.2 Å²	22.2	7%	0.068	12%	0.115	C	C	.	.	H	α-helix	trans	-79.7	-5.8	178.5	-59.9	-175.8	0	0	0	113.1	I242 F244 V259 A260 S265 W328	I242-L263 HydrophobicContact CD1-CD2 4.05Å; F244-L263 HydrophobicContact CE2-CD2 4.15Å; F244-L263 HydrophobicContact CE2-CG 4.49Å; F244-L263 HydrophobicContact CZ-CD2 3.94Å; F244-L263 HydrophobicContact CZ-CG 4.18Å; V259-L263 HydrophobicContact CG1-CD1 3.6Å; V259-L263 HydrophobicContact CG1-CG 4.12Å; V259-L263 WeakPolarHBondContact O-CB 3.23Å; V259-L263 WeakPolarHBondContact O-CG 3.34Å; V259-L263 PolarHBondContact O-N 3.23Å; A260-L263 PolarHBondContact O-N 2.91Å; L263-S265 PolarHBondContact O-N 3.34Å; L263-S265 PolarHBondContact O-OG 3.46Å; L263-W328 HydrophobicContact CB-CG 4.32Å; L263-W328 HydrophobicContact CD1-CB 3.96Å; L263-W328 HydrophobicContact CD1-CD2 4.07Å; L263-W328 HydrophobicContact CD1-CE3 4.42Å; L263-W328 HydrophobicContact CD1-CG 3.84Å; L263-W328 HydrophobicContact CD2-CD2 3.86Å; L263-W328 HydrophobicContact CD2-CE3 4.04Å; L263-W328 HydrophobicContact CD2-CG 4.39Å; L263-W328 HydrophobicContact CD2-CH2 4.3Å; L263-W328 HydrophobicContact CD2-CZ2 4.12Å; L263-W328 HydrophobicContact CD2-CZ3 4.25Å; L263-W328 HydrophobicContact CG-CD2 4.39Å; L263-W328 HydrophobicContact CG-CG 4.42Å
264	K	95	Very high	97.1	Very high	161 Å²	161	29.8 Å²	29.8	70%	0.7	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	45.1	-176.2	-61	179.2	-177	175	0	112.4	A260 P261 T262 W287	A260-K264 WeakPolarHBondContact O-CA 3.48Å; A260-K264 PolarHBondContact O-N 2.83Å; P261-K264 PolarHBondContact O-N 2.86Å; T262-K264 PolarHBondContact O-N 2.94Å; K264-W287 HydrophobicContact CB-CH2 3.57Å; K264-W287 HydrophobicContact CB-CZ2 4.11Å; K264-W287 HydrophobicContact CB-CZ3 4.27Å; K264-W287 HydrophobicContact CG-CH2 4.18Å; K264-W287 HydrophobicContact CG-CZ2 4.27Å; K264-W287 VanDerWaalsContact O-CZ3 3.23Å; K264-W287 WeakPolarHBondContact O-CZ3 3.16Å
265	S	95	Very high	96.7	Very high	16 Å²	16	31.4 Å²	31.4	11%	0.112	15%	0.154	C	C	.	.	S	Bend	trans	-141.9	137.8	-172	-64.1	0	0	0	0	111.3	A260 L263 W287	A260-S265 WeakPolarHBondContact CB-O 3.39Å; A260-S265 PolarHBondContact O-N 3.29Å; A260-S265 VanDerWaalsContact O-N 3.16Å; L263-S265 PolarHBondContact O-N 3.34Å; L263-S265 PolarHBondContact O-OG 3.46Å; S265-W287 VanDerWaalsContact N-CZ3 3.33Å
266	D	97.8	Very high	96.4	Very high	41 Å²	41	37.7 Å²	37.7	22%	0.219	19%	0.193	C	C	.	.			trans	-65.5	140	162.9	-63.3	-29.3	0	0	0	108.9	K288 S315 L316	D266-K288 CarbonylContact C-O 3.19Å; D266-K288 VanDerWaalsContact CA-O 3.25Å; D266-K288 WeakPolarHBondContact CA-O 3.03Å; D266-K288 HydrophobicContact CB-CB 4.03Å; D266-K288 PolarHBondContact OD1-N 2.96Å; D266-S315 CarbonylContact O-C 3.45Å; D266-S315 VanDerWaalsContact O-CA 3.23Å; D266-S315 WeakPolarHBondContact O-CA 3.35Å; D266-L316 HydrophobicContact CB-CB 4.23Å; D266-L316 HydrophobicContact CB-CD1 3.85Å; D266-L316 HydrophobicContact CB-CD2 4.16Å; D266-L316 HydrophobicContact CB-CG 4.32Å; D266-L316 WeakPolarHBondContact O-CD1 3.07Å; D266-L316 PolarHBondContact O-N 2.97Å
267	L	98.6	Very high	96.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141.8	-176.2	-55.8	177.8	0	0	0	112.2	Y255 V259 A260 V269 K288 V289 L290 A313 V314	Y255-L267 HydrophobicContact CD1-CD1 4.37Å; V259-L267 HydrophobicContact CB-CD1 4.35Å; V259-L267 HydrophobicContact CG1-CD1 3.93Å; A260-L267 HydrophobicContact CB-CD1 3.76Å; A260-L267 HydrophobicContact CB-CG 3.99Å; L267-V269 HydrophobicContact CB-CG2 4.19Å; L267-K288 PolarHBondContact N-O 2.05Å; L267-V289 HydrophobicContact CB-CG1 4.47Å; L267-V289 HydrophobicContact CB-CG2 4.48Å; L267-V289 WeakPolarHBondContact O-CA 3.29Å; L267-L290 PolarHBondContact O-N 3.15Å; L267-A313 HydrophobicContact CD1-CB 4.36Å; L267-V314 CarbonylContact C-O 3.41Å; L267-V314 WeakPolarHBondContact CA-O 3.25Å
268	L	98.8	Very high	96.3	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	135.4	157.3	-56.2	173	0	0	0	107.4	L290 I292 A313 V314 L316 A363 C366 C376	L268-L290 CarbonylContact C-O 3.44Å; L268-L290 WeakPolarHBondContact CA-O 3.49Å; L268-L290 HydrophobicContact CD2-CB 4.02Å; L268-L290 HydrophobicContact CD2-CD1 4.21Å; L268-I292 HydrophobicContact CB-CD1 3.81Å; L268-I292 HydrophobicContact CB-CG1 3.82Å; L268-A313 CarbonylContact O-C 3.53Å; L268-A313 WeakPolarHBondContact O-CA 3.2Å; L268-V314 HydrophobicContact CB-CG1 3.92Å; L268-V314 HydrophobicContact CD1-CG1 4.07Å; L268-V314 HydrophobicContact CG-CG1 4.37Å; L268-V314 PolarHBondContact N-O 2.91Å; L268-V314 PolarHBondContact O-N 3.36Å; L268-L316 HydrophobicContact CD2-CD1 3.74Å; L268-L316 HydrophobicContact CD2-CG 4.14Å; L268-L316 HydrophobicContact CG-CD1 3.6Å; L268-L316 HydrophobicContact CG-CG 4.11Å; L268-A363 HydrophobicContact CD1-CB 3.75Å; L268-C366 HydrophobicContact CD2-CB 4.28Å; L268-C376 HydrophobicContact CD1-CB 3.68Å; L268-C376 HydrophobicContact CD2-CB 4.2Å
269	V	98.7	Very high	96.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	126.8	-176.3	-168.1	0	0	0	0	111.6	Y255 L267 F271 V289 L290 I292 W312 A313 R336	Y255-V269 HydrophobicContact CD1-CG1 4.41Å; Y255-V269 HydrophobicContact CD1-CG2 4.26Å; Y255-V269 HydrophobicContact CD2-CG1 3.97Å; Y255-V269 HydrophobicContact CE1-CG1 4.35Å; Y255-V269 HydrophobicContact CE2-CG1 3.87Å; Y255-V269 HydrophobicContact CG-CG1 4.22Å; Y255-V269 HydrophobicContact CG-CG2 4.11Å; L267-V269 HydrophobicContact CB-CG2 4.19Å; V269-F271 HydrophobicContact CG1-CD1 4.32Å; V269-V289 HydrophobicContact CG2-CG1 3.4Å; V269-L290 PolarHBondContact N-O 2.93Å; V269-I292 PolarHBondContact O-N 3.37Å; V269-W312 WeakPolarHBondContact CA-O 3.45Å; V269-A313 HydrophobicContact CG1-CB 4.39Å; V269-A313 HydrophobicContact CG2-CB 3.94Å; V269-R336 HydrophobicContact CG1-CG 4.38Å
270	Q	98.6	Very high	96.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	137.9	168.6	170.4	53.5	30.1	0	0	109.2	I292 I295 D308 S310 K311 W312	Q270-I292 HydrophobicContact CB-CB 4.45Å; Q270-I292 HydrophobicContact CB-CD1 4Å; Q270-I295 HydrophobicContact CB-CD1 4.4Å; Q270-I295 VanDerWaalsContact CD-CD1 3.43Å; Q270-I295 HydrophobicContact CG-CD1 3.72Å; Q270-I295 VanDerWaalsContact OE1-CD1 3.28Å; Q270-D308 PolarHBondContact NE2-O 2.77Å; Q270-D308 VanDerWaalsContact NE2-O 3.11Å; Q270-S310 WeakPolarHBondContact CG-OG 3.27Å; Q270-K311 VanDerWaalsContact O-CA 3.31Å; Q270-K311 WeakPolarHBondContact O-CA 3.23Å; Q270-W312 HydrophobicContact CB-CD2 3.96Å; Q270-W312 HydrophobicContact CB-CG 4.12Å; Q270-W312 HydrophobicContact CB-CZ2 4.02Å; Q270-W312 PolarHBondContact N-O 3.43Å; Q270-W312 PolarHBondContact O-N 3.47Å; Q270-W312 VanDerWaalsContact O-N 3.09Å
271	F	97.9	Very high	96.2	Very high	1 Å²	1	44 Å²	44	0%	0.004	24%	0.238	C	C	.	.			trans	-161.3	174.4	176	61.5	-77.2	0	0	0	110	V269 V273 I278 D291 S310 K311 N335 R336	V269-F271 HydrophobicContact CG1-CD1 4.32Å; F271-V273 HydrophobicContact CD2-CG1 4.35Å; F271-V273 HydrophobicContact CE1-CG1 4.25Å; F271-V273 HydrophobicContact CE2-CG1 4.01Å; F271-V273 HydrophobicContact CZ-CG1 3.95Å; F271-V273 PolarHBondContact O-N 3.28Å; F271-I278 HydrophobicContact CE2-CD1 3.94Å; F271-I278 HydrophobicContact CE2-CG2 3.77Å; F271-I278 HydrophobicContact CZ-CG2 3.68Å; F271-D291 HydrophobicContact CE1-CB 4.08Å; F271-D291 VanDerWaalsContact CE1-OD1 3.23Å; F271-D291 WeakPolarHBondContact CE1-OD1 3.48Å; F271-S310 WeakPolarHBondContact CA-O 3.16Å; F271-K311 HydrophobicContact CB-CG 4.24Å; F271-N335 HydrophobicContact CB-CB 4.45Å; F271-N335 HydrophobicContact CD2-CB 4.25Å; F271-R336 HydrophobicContact CD1-CB 4.04Å; F271-R336 HydrophobicContact CD1-CG 4.16Å; F271-R336 HydrophobicContact CD2-CB 3.96Å; F271-R336 VanDerWaalsContact CD2-N 3.35Å; F271-R336 HydrophobicContact CE1-CB 3.94Å; F271-R336 HydrophobicContact CE1-CG 4.39Å; F271-R336 HydrophobicContact CE2-CB 3.79Å; F271-R336 VanDerWaalsContact CE2-O 3.23Å; F271-R336 WeakPolarHBondContact CE2-O 3.47Å; F271-R336 HydrophobicContact CG-CB 4.06Å; F271-R336 HydrophobicContact CG-CG 4.34Å; F271-R336 HydrophobicContact CZ-CB 3.8Å
272	W	96.5	Very high	96.2	Very high	32 Å²	32	44.8 Å²	44.8	12%	0.121	24%	0.24	C	C	.	.			trans	-72.4	99.7	177	-172.6	-121.9	0	0	0	111.3	N162 R274 S275 T306 D308 H309 N335	N162-W272 HydrophobicContact CB-CZ3 4.49Å; W272-R274 HydrophobicContact CD2-CB 4.22Å; W272-R274 HydrophobicContact CH2-CB 4.33Å; W272-R274 HydrophobicContact CH2-CG 4.22Å; W272-R274 HydrophobicContact CZ2-CB 3.67Å; W272-R274 HydrophobicContact CZ2-CG 4.05Å; W272-R274 PolarHBondContact NE1-O 3.02Å; W272-R274 PolarHBondContact O-N 2.82Å; W272-S275 PolarHBondContact O-OG 3.49Å; W272-T306 WeakPolarHBondContact CH2-O 3.4Å; W272-T306 WeakPolarHBondContact CZ3-O 3.43Å; W272-D308 VanDerWaalsContact CE3-O 3.28Å; W272-H309 AromaticContact CD2-CD2 3.41Å; W272-H309 VanDerWaalsContact CD2-CD2 3.41Å; W272-H309 AromaticContact CD2-NE2 3.59Å; W272-H309 AromaticContact CE2-CD2 3.68Å; W272-H309 AromaticContact CE2-NE2 3.32Å; W272-H309 VanDerWaalsContact CE2-NE2 3.32Å; W272-H309 AromaticContact CE3-CD2 3.15Å; W272-H309 AromaticContact CE3-NE2 3.73Å; W272-H309 AromaticContact CH2-CD2 3.39Å; W272-H309 WeakPolarHBondContact CH2-CD2 3.34Å; W272-H309 AromaticContact CH2-NE2 3.27Å; W272-H309 VanDerWaalsContact CH2-NE2 3.27Å; W272-H309 WeakPolarHBondContact CH2-NE2 3.32Å; W272-H309 AromaticContact CZ2-CD2 3.68Å; W272-H309 AromaticContact CZ2-NE2 3.16Å; W272-H309 WeakPolarHBondContact CZ2-NE2 3.48Å; W272-H309 AromaticContact CZ3-CD2 3.15Å; W272-H309 WeakPolarHBondContact CZ3-CD2 3.33Å; W272-H309 AromaticContact CZ3-NE2 3.6Å; W272-N335 WeakPolarHBondContact CB-OD1 3.33Å; W272-N335 PolarHBondContact N-OD1 3.25Å; W272-N335 VanDerWaalsContact N-OD1 3.07Å
273	V	94.1	Very high	96.3	Very high	27 Å²	27	44.5 Å²	44.5	16%	0.164	24%	0.24	C	C	.	.			trans	-77.1	-6.2	-178.1	-63.2	0	0	0	0	113.7	F271 S275 I278 A305 T306	F271-V273 HydrophobicContact CD2-CG1 4.35Å; F271-V273 HydrophobicContact CE1-CG1 4.25Å; F271-V273 HydrophobicContact CE2-CG1 4.01Å; F271-V273 HydrophobicContact CZ-CG1 3.95Å; F271-V273 PolarHBondContact O-N 3.28Å; V273-S275 PolarHBondContact O-N 2.95Å; V273-I278 WeakPolarHBondContact O-CD1 3.17Å; V273-A305 HydrophobicContact CG1-CB 4.24Å; V273-A305 HydrophobicContact CG2-CB 4.05Å; V273-T306 HydrophobicContact CG2-CG2 3.58Å
274	R	92.8	Very high	96.3	Very high	169 Å²	169	46.6 Å²	46.6	64%	0.638	26%	0.255	S	S	*	.	S	Bend	trans	-91.7	47.5	174.2	-59.8	179.2	59.4	-163.9	-0.7	111.4	W272 T306	W272-R274 HydrophobicContact CD2-CB 4.22Å; W272-R274 HydrophobicContact CH2-CB 4.33Å; W272-R274 HydrophobicContact CH2-CG 4.22Å; W272-R274 HydrophobicContact CZ2-CB 3.67Å; W272-R274 HydrophobicContact CZ2-CG 4.05Å; W272-R274 PolarHBondContact NE1-O 3.02Å; W272-R274 PolarHBondContact O-N 2.82Å; R274-T306 WeakPolarHBondContact CD-O 3.22Å; R274-T306 HydrophobicContact CG-CG2 4.26Å
275	S	89.5	Confident	96.1	Very high	36 Å²	36	45 Å²	45	25%	0.252	25%	0.253	S	S	.	.	S	Bend	trans	-117.1	158.4	172.6	-68.5	0	0	0	0	110.1	W272 V273 I278	W272-S275 PolarHBondContact O-OG 3.49Å; V273-S275 PolarHBondContact O-N 2.95Å; S275-I278 VanDerWaalsContact O-CD1 3.27Å; S275-I278 WeakPolarHBondContact O-CD1 3.49Å; S275-I278 VanDerWaalsContact O-CG1 3.3Å; S275-I278 WeakPolarHBondContact O-CG1 2.91Å
276	T	92.6	Very high	96	Very high	132 Å²	132	47.5 Å²	47.5	81%	0.81	28%	0.282	S	S	*	.	S	Bend	trans	-77.7	145.5	173.7	-53.3	0	0	0	0	110.1	N337	T276-N337 WeakPolarHBondContact O-CB 3.23Å
277	G	96.4	Very high	96	Very high	25 Å²	25	48.7 Å²	48.7	26%	0.258	28%	0.283	S	S	.	.	S	Bend	trans	68.8	39.8	175.1	0	0	0	0	0	113.4	L279 N337 E338	G277-L279 PolarHBondContact O-N 3.25Å; G277-N337 CarbonylContact O-C 3.48Å; G277-N337 WeakPolarHBondContact O-CA 3.36Å; G277-N337 VanDerWaalsContact O-CB 3.27Å; G277-N337 WeakPolarHBondContact O-CB 3.36Å; G277-E338 PolarHBondContact O-N 3.25Å
278	I	97.1	Very high	95.9	Very high	56 Å²	56	53.5 Å²	53.5	29%	0.287	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-57.1	128.7	176.7	-57.1	-60.9	0	0	0	109.5	F271 V273 S275 N337	F271-I278 HydrophobicContact CE2-CD1 3.94Å; F271-I278 HydrophobicContact CE2-CG2 3.77Å; F271-I278 HydrophobicContact CZ-CG2 3.68Å; V273-I278 WeakPolarHBondContact O-CD1 3.17Å; S275-I278 VanDerWaalsContact O-CD1 3.27Å; S275-I278 WeakPolarHBondContact O-CD1 3.49Å; S275-I278 VanDerWaalsContact O-CG1 3.3Å; S275-I278 WeakPolarHBondContact O-CG1 2.91Å; I278-N337 HydrophobicContact CD1-CB 4.29Å
279	L	97.1	Very high	95.9	Very high	21 Å²	21	53.4 Å²	53.4	11%	0.11	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-72.3	134.2	174.3	-59.3	178.3	0	0	0	108.8	D253 G277 R336 E338 E341	D253-L279 HydrophobicContact CB-CD1 3.77Å; G277-L279 PolarHBondContact O-N 3.25Å; L279-R336 PolarHBondContact N-O 3.32Å; L279-R336 VanDerWaalsContact N-O 3.08Å; L279-E338 HydrophobicContact CD2-CG 3.94Å; L279-E341 HydrophobicContact CD1-CG 4.08Å
280	P	96.7	Very high	95.9	Very high	86 Å²	86	53.9 Å²	53.9	56%	0.558	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-73.6	164.9	176.9	32.2	-35.8	0	0	0	111.2	N282	P280-N282 PolarHBondContact O-N 3.09Å
281	S	98.2	Very high	95.9	Very high	9 Å²	9	53.9 Å²	53.9	6%	0.063	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-57.7	133.4	169.8	-67	0	0	0	0	110.8	V289 L290 D291 E367	S281-V289 CarbonylContact C-O 3.53Å; S281-V289 WeakPolarHBondContact CA-O 3.49Å; S281-L290 WeakPolarHBondContact OG-CA 3.5Å; S281-D291 PolarHBondContact N-OD2 2.92Å; S281-D291 VanDerWaalsContact OG-CG 3.32Å; S281-D291 PolarHBondContact OG-N 3.15Å; S281-D291 PolarHBondContact OG-OD2 3.11Å; S281-E367 WeakPolarHBondContact CB-O 3.06Å; S281-E367 PolarHBondContact OG-O 3.15Å; S281-E367 VanDerWaalsContact OG-O 3.04Å
282	N	97.8	Very high	95.9	Very high	54 Å²	54	53.9 Å²	53.9	29%	0.289	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-127.4	123.3	-168.2	-167.5	-20.8	0	0	0	111.2	H256 P280 S284 V289	H256-N282 HydrophobicContact CB-CB 4.43Å; H256-N282 VanDerWaalsContact CD2-CG 3.49Å; H256-N282 PolarHBondContact CD2-O 3.29Å; H256-N282 VanDerWaalsContact CE1-CG 3.44Å; H256-N282 PolarHBondContact CE1-ND2 3.19Å; H256-N282 PolarHBondContact CE1-OD1 2.91Å; H256-N282 PolarHBondContact ND1-ND2 2.68Å; H256-N282 VanDerWaalsContact NE2-CG 3.34Å; H256-N282 PolarHBondContact NE2-OD1 2.52Å; H256-N282 VanDerWaalsContact NE2-OD1 3.16Å; P280-N282 PolarHBondContact O-N 3.09Å; N282-S284 WeakPolarHBondContact OD1-CB 3Å; N282-S284 PolarHBondContact OD1-N 2.92Å; N282-S284 PolarHBondContact OD1-OG 3.21Å; N282-V289 PolarHBondContact N-O 3.27Å; N282-V289 PolarHBondContact O-N 2.93Å
283	C	97	Very high	96	Very high	55 Å²	55	54.9 Å²	54.9	37%	0.372	31%	0.311	S	S	.	.			trans	-113.4	13	-178.2	-71.5	0	0	0	0	112.8	W287 K288 C369	C283-W287 CarbonylContact C-O 3.57Å; C283-W287 VanDerWaalsContact C-O 3.32Å; C283-W287 VanDerWaalsContact CA-O 3.24Å; C283-W287 WeakPolarHBondContact CA-O 3.28Å; C283-K288 HydrophobicContact CB-CG 4.44Å; C283-C369 HydrophobicContact CB-CB 3.68Å; C283-C369 WeakPolarHBondContact CB-SG 3.33Å; C283-C369 PolarHBondContact N-SG 2.02Å; C283-C369 WeakPolarHBondContact SG-CB 3.04Å; C283-C369 CovalentContact SG-SG 2.02Å; C283-C369 PolarHBondContact SG-SG 3.22Å
284	S	95.1	Very high	96.2	Very high	56 Å²	56	54.3 Å²	54.3	39%	0.392	31%	0.309	S	S	.	.			trans	-79.1	173.5	176.8	68	0	0	0	0	111.3	H256 N282 G286 W287	H256-S284 PolarHBondContact CE1-OG 3.4Å; H256-S284 PolarHBondContact NE2-O 2.8Å; H256-S284 PolarHBondContact NE2-OG 2.94Å; N282-S284 WeakPolarHBondContact OD1-CB 3Å; N282-S284 PolarHBondContact OD1-N 2.92Å; N282-S284 PolarHBondContact OD1-OG 3.21Å; S284-G286 PolarHBondContact O-N 2.97Å; S284-W287 PolarHBondContact O-N 3.33Å
285	L	91.1	Very high	96.5	Very high	127 Å²	127	46.2 Å²	46.2	67%	0.665	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	15.8	179.8	-51.3	-179.9	0	0	0	115.4	W287	L285-W287 VanDerWaalsContact O-CD1 3.25Å
286	G	94.3	Very high	96.8	Very high	69 Å²	69	45.8 Å²	45.8	71%	0.711	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	7.8	176.1	0	0	0	0	0	115.1	S284	S284-G286 PolarHBondContact O-N 2.97Å
287	W	96.4	Very high	97	Very high	66 Å²	66	39.5 Å²	39.5	25%	0.25	24%	0.235	C	C	.	.			trans	-128.9	148	179.4	-53.9	102.6	0	0	0	110.7	A260 K264 S265 C283 S284 L285	A260-W287 HydrophobicContact CB-CB 4.05Å; A260-W287 HydrophobicContact CB-CG 4.32Å; K264-W287 HydrophobicContact CB-CH2 3.57Å; K264-W287 HydrophobicContact CB-CZ2 4.11Å; K264-W287 HydrophobicContact CB-CZ3 4.27Å; K264-W287 HydrophobicContact CG-CH2 4.18Å; K264-W287 HydrophobicContact CG-CZ2 4.27Å; K264-W287 VanDerWaalsContact O-CZ3 3.23Å; K264-W287 WeakPolarHBondContact O-CZ3 3.16Å; S265-W287 VanDerWaalsContact N-CZ3 3.33Å; C283-W287 CarbonylContact C-O 3.57Å; C283-W287 VanDerWaalsContact C-O 3.32Å; C283-W287 VanDerWaalsContact CA-O 3.24Å; C283-W287 WeakPolarHBondContact CA-O 3.28Å; S284-W287 PolarHBondContact O-N 3.33Å; L285-W287 VanDerWaalsContact O-CD1 3.25Å
288	K	97.5	Very high	97	Very high	101 Å²	101	40 Å²	40	44%	0.439	24%	0.24	S	C	.	.			trans	-100.6	125.7	171.3	-51.4	-176.1	-179.6	-178.9	0	109.8	D266 L267 C283 L290	D266-K288 CarbonylContact C-O 3.19Å; D266-K288 VanDerWaalsContact CA-O 3.25Å; D266-K288 WeakPolarHBondContact CA-O 3.03Å; D266-K288 HydrophobicContact CB-CB 4.03Å; D266-K288 PolarHBondContact OD1-N 2.96Å; L267-K288 PolarHBondContact N-O 2.05Å; C283-K288 HydrophobicContact CB-CG 4.44Å; K288-L290 HydrophobicContact CB-CD2 4.22Å; K288-L290 HydrophobicContact CB-CG 4.29Å
289	V	98.5	Very high	96.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	102.9	167.6	-172.9	0	0	0	0	107.9	H256 A260 L267 V269 S281 N282 R336	H256-V289 HydrophobicContact CB-CB 4.2Å; H256-V289 HydrophobicContact CB-CG2 3.97Å; A260-V289 HydrophobicContact CB-CG2 3.72Å; L267-V289 HydrophobicContact CB-CG1 4.47Å; L267-V289 HydrophobicContact CB-CG2 4.48Å; L267-V289 WeakPolarHBondContact O-CA 3.29Å; V269-V289 HydrophobicContact CG2-CG1 3.4Å; S281-V289 CarbonylContact C-O 3.53Å; S281-V289 WeakPolarHBondContact CA-O 3.49Å; N282-V289 PolarHBondContact N-O 3.27Å; N282-V289 PolarHBondContact O-N 2.93Å; V289-R336 VanDerWaalsContact CG1-NH1 3.31Å
290	L	98.8	Very high	96.7	Very high	9 Å²	9	46 Å²	46	5%	0.047	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	137.8	-171.4	-50.6	-178.4	0	0	0	110.9	L267 L268 V269 S281 K288 L316 C366 C369 I374	L267-L290 PolarHBondContact O-N 3.15Å; L268-L290 CarbonylContact C-O 3.44Å; L268-L290 WeakPolarHBondContact CA-O 3.49Å; L268-L290 HydrophobicContact CD2-CB 4.02Å; L268-L290 HydrophobicContact CD2-CD1 4.21Å; V269-L290 PolarHBondContact N-O 2.93Å; S281-L290 WeakPolarHBondContact OG-CA 3.5Å; K288-L290 HydrophobicContact CB-CD2 4.22Å; K288-L290 HydrophobicContact CB-CG 4.29Å; L290-L316 HydrophobicContact CD1-CD2 4.45Å; L290-C366 HydrophobicContact CB-CB 4.27Å; L290-C369 VanDerWaalsContact CD2-SG 3.57Å; L290-I374 HydrophobicContact CD1-CD1 4.49Å
291	D	98.5	Very high	96.6	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	124.8	-178	-56.6	-47.9	0	0	0	110.4	F271 S281 R336 C366 E367	F271-D291 HydrophobicContact CE1-CB 4.08Å; F271-D291 VanDerWaalsContact CE1-OD1 3.23Å; F271-D291 WeakPolarHBondContact CE1-OD1 3.48Å; S281-D291 PolarHBondContact N-OD2 2.92Å; S281-D291 VanDerWaalsContact OG-CG 3.32Å; S281-D291 PolarHBondContact OG-N 3.15Å; S281-D291 PolarHBondContact OG-OD2 3.11Å; D291-R336 IonicContact OD1-CZ 3.81Å; D291-R336 IonicContact OD1-NH1 2.87Å; D291-R336 PolarHBondContact OD1-NH1 3.27Å; D291-C366 CarbonylContact O-C 3.32Å; D291-C366 WeakPolarHBondContact O-CA 3.16Å; D291-C366 WeakPolarHBondContact O-CB 3.4Å; D291-E367 PolarHBondContact O-N 3.46Å
292	I	98.7	Very high	96.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	140.2	174.9	-60.8	169.1	0	0	0	109	L268 V269 Q270 S294 I295 A305 W312 A363	L268-I292 HydrophobicContact CB-CD1 3.81Å; L268-I292 HydrophobicContact CB-CG1 3.82Å; V269-I292 PolarHBondContact O-N 3.37Å; Q270-I292 HydrophobicContact CB-CB 4.45Å; Q270-I292 HydrophobicContact CB-CD1 4Å; I292-S294 WeakPolarHBondContact CG2-O 3.25Å; I292-I295 HydrophobicContact CG2-CD1 4.27Å; I292-I295 HydrophobicContact CG2-CG1 3.75Å; I292-A305 WeakPolarHBondContact O-CB 3.31Å; I292-W312 HydrophobicContact CD1-CE3 4.46Å; I292-W312 HydrophobicContact CD1-CH2 3.52Å; I292-W312 HydrophobicContact CD1-CZ2 3.9Å; I292-W312 HydrophobicContact CD1-CZ3 3.83Å; I292-A363 HydrophobicContact CD1-CB 3.76Å; I292-A363 HydrophobicContact CG1-CB 4.09Å; I292-A363 HydrophobicContact CG2-CB 4.34Å
293	K	98.2	Very high	96.5	Very high	53 Å²	53	44 Å²	44	23%	0.23	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	-27.1	-178.6	-59.1	-65.5	-169.9	-178.2	0	112.8	K304 A305 E365 E367 M373	K293-K304 WeakPolarHBondContact O-CA 3.42Å; K293-A305 PolarHBondContact O-N 3.02Å; K293-E365 PolarHBondContact N-O 3.3Å; K293-E367 WeakPolarHBondContact CE-OE2 3.28Å; K293-E367 HydrophobicContact CG-CB 4.44Å; K293-E367 IonicContact NZ-OE2 2.73Å; K293-E367 PolarHBondContact NZ-OE2 3.14Å; K293-M373 HydrophobicContact CB-CE 3.46Å; K293-M373 VanDerWaalsContact CB-CE 3.46Å; K293-M373 HydrophobicContact CB-SD 4.13Å; K293-M373 HydrophobicContact CD-SD 4.49Å; K293-M373 HydrophobicContact CG-CE 3.69Å; K293-M373 HydrophobicContact CG-SD 3.69Å
294	S	98.1	Very high	96.5	Very high	15 Å²	15	47.8 Å²	47.8	11%	0.105	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	138.5	178.6	-171.3	0	0	0	0	111.1	I292 T302 L364 E365	I292-S294 WeakPolarHBondContact CG2-O 3.25Å; S294-T302 VanDerWaalsContact OG-CG2 3.3Å; S294-T302 WeakPolarHBondContact OG-CG2 3.33Å; S294-L364 PolarHBondContact O-N 3.4Å; S294-E365 PolarHBondContact N-O 2.93Å; S294-E365 PolarHBondContact O-N 3.49Å
295	I	98	Very high	96.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	144.6	-170.4	-35.4	-180	0	0	0	110.3	Q270 I292 T302 F303 D308 W312 A362	Q270-I295 HydrophobicContact CB-CD1 4.4Å; Q270-I295 VanDerWaalsContact CD-CD1 3.43Å; Q270-I295 HydrophobicContact CG-CD1 3.72Å; Q270-I295 VanDerWaalsContact OE1-CD1 3.28Å; I292-I295 HydrophobicContact CG2-CD1 4.27Å; I292-I295 HydrophobicContact CG2-CG1 3.75Å; I295-T302 WeakPolarHBondContact O-CA 3.05Å; I295-F303 HydrophobicContact CB-CD2 4.33Å; I295-F303 HydrophobicContact CB-CE2 3.78Å; I295-F303 HydrophobicContact CB-CZ 4.03Å; I295-F303 HydrophobicContact CD1-CE2 3.96Å; I295-F303 HydrophobicContact CG1-CE2 4.19Å; I295-F303 HydrophobicContact CG2-CE2 4.44Å; I295-F303 HydrophobicContact CG2-CZ 4.31Å; I295-F303 PolarHBondContact N-O 2.87Å; I295-F303 PolarHBondContact O-N 3.22Å; I295-D308 HydrophobicContact CD1-CB 4.34Å; I295-W312 HydrophobicContact CG2-CZ2 4.06Å; I295-A362 CarbonylContact C-O 3.51Å; I295-A362 WeakPolarHBondContact CA-O 3.46Å; I295-A362 HydrophobicContact CG2-CB 4.08Å; I295-A362 VanDerWaalsContact CG2-O 3.31Å; I295-A362 WeakPolarHBondContact CG2-O 3.3Å
296	N	97.4	Very high	96.9	Very high	26 Å²	26	42 Å²	42	14%	0.139	23%	0.232	C	C	.	.			trans	-145.7	78.9	168.7	-173.9	-9.3	0	0	0	110.2	Q299 T300 F301 T302 A362 L364	N296-Q299 PolarHBondContact O-N 3.07Å; N296-Q299 WeakPolarHBondContact OD1-CA 3.06Å; N296-T300 PolarHBondContact OD1-N 2.66Å; N296-F301 VanDerWaalsContact CG-C 3.45Å; N296-F301 PolarHBondContact OD1-N 3.45Å; N296-F301 VanDerWaalsContact OD1-N 3.08Å; N296-F301 PolarHBondContact OD1-O 3.01Å; N296-T302 PolarHBondContact ND2-OG1 2.97Å; N296-A362 PolarHBondContact N-O 3.49Å; N296-L364 HydrophobicContact CB-CD1 3.73Å; N296-L364 HydrophobicContact CB-CD2 4.43Å; N296-L364 HydrophobicContact CB-CG 4.23Å
297	P	96.9	Very high	97	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-67.9	142.1	177.5	33.8	-34.1	0	0	0	109.7	Y37 L39 L55 Q299 T300 F303 A362	Y37-P297 HydrophobicContact CD1-CG 4.25Å; Y37-P297 HydrophobicContact CD2-CB 4.31Å; Y37-P297 HydrophobicContact CE1-CG 4.22Å; Y37-P297 HydrophobicContact CE2-CB 4.44Å; Y37-P297 HydrophobicContact CG-CB 4.48Å; Y37-P297 HydrophobicContact CG-CG 4.45Å; L39-P297 HydrophobicContact CD2-CG 3.64Å; L55-P297 VanDerWaalsContact CD1-C 3.5Å; L55-P297 HydrophobicContact CD1-CB 3.83Å; L55-P297 HydrophobicContact CD1-CG 4.11Å; L55-P297 WeakPolarHBondContact CD1-O 3.15Å; P297-Q299 PolarHBondContact O-N 3.04Å; P297-T300 PolarHBondContact O-N 3.21Å; P297-T300 PolarHBondContact O-OG1 3.43Å; P297-F303 VanDerWaalsContact CD-CE1 3.47Å; P297-F303 HydrophobicContact CG-CE1 4Å; P297-F303 HydrophobicContact CG-CZ 4.01Å; P297-A362 HydrophobicContact CB-CB 4.02Å
298	G	95.2	Very high	97.1	Very high	36 Å²	36	38.4 Å²	38.4	37%	0.371	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	65.3	5.7	-179.7	0	0	0	0	0	115.6	T300	G298-T300 PolarHBondContact O-N 2.97Å
299	Q	94.3	Very high	97.1	Very high	165 Å²	165	35.2 Å²	35.2	77%	0.771	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	57.7	23.9	-168.7	-57	176.7	49.2	0	0	113.4	N296 P297	N296-Q299 PolarHBondContact O-N 3.07Å; N296-Q299 WeakPolarHBondContact OD1-CA 3.06Å; P297-Q299 PolarHBondContact O-N 3.04Å
300	T	93.9	Very high	97.1	Very high	37 Å²	37	35.2 Å²	35.2	23%	0.227	19%	0.186	C	C	.	.	S	Bend	trans	-70.4	-64.7	-178.5	-47.2	0	0	0	0	111.6	L39 F49 N296 P297 G298	L39-T300 HydrophobicContact CD1-CG2 3.81Å; F49-T300 HydrophobicContact CD1-CG2 4.43Å; F49-T300 HydrophobicContact CE1-CG2 3.48Å; F49-T300 VanDerWaalsContact CE1-CG2 3.48Å; F49-T300 HydrophobicContact CE2-CG2 3.98Å; F49-T300 HydrophobicContact CZ-CG2 3.22Å; N296-T300 PolarHBondContact OD1-N 2.66Å; P297-T300 PolarHBondContact O-N 3.21Å; P297-T300 PolarHBondContact O-OG1 3.43Å; G298-T300 PolarHBondContact O-N 2.97Å
301	F	94.9	Very high	97	Very high	21 Å²	21	35 Å²	35	9%	0.092	19%	0.185	C	C	.	.			trans	-158.9	156.2	172.6	71.5	-83.8	0	0	0	111.3	L39 P40 E42 F49 N296 F303	L39-F301 HydrophobicContact CB-CE1 4.06Å; L39-F301 HydrophobicContact CB-CZ 4.44Å; L39-F301 HydrophobicContact CD1-CE1 4.07Å; L39-F301 HydrophobicContact CG-CE1 4.49Å; P40-F301 HydrophobicContact CG-CE2 4.23Å; P40-F301 HydrophobicContact CG-CZ 3.92Å; E42-F301 HydrophobicContact CB-CE2 4.15Å; E42-F301 HydrophobicContact CB-CZ 4.25Å; E42-F301 HydrophobicContact CG-CD2 4.34Å; E42-F301 HydrophobicContact CG-CE2 4.27Å; F49-F301 HydrophobicContact CB-CE1 3.83Å; F49-F301 HydrophobicContact CB-CZ 4.2Å; F49-F301 HydrophobicContact CD1-CD1 4.42Å; F49-F301 HydrophobicContact CD1-CE1 4.1Å; F49-F301 AromaticContact CD2-CD1 3.35Å; F49-F301 HydrophobicContact CD2-CD1 3.35Å; F49-F301 AromaticContact CD2-CE1 3.44Å; F49-F301 HydrophobicContact CD2-CE1 3.44Å; F49-F301 VanDerWaalsContact CD2-CE1 3.44Å; F49-F301 HydrophobicContact CD2-CG 4.13Å; F49-F301 HydrophobicContact CD2-CZ 4.29Å; F49-F301 HydrophobicContact CE2-CB 4.48Å; F49-F301 AromaticContact CE2-CD1 3.53Å; F49-F301 HydrophobicContact CE2-CD1 3.53Å; F49-F301 HydrophobicContact CE2-CE1 4.06Å; F49-F301 HydrophobicContact CE2-CG 4.27Å; F49-F301 AromaticContact CG-CD1 3.86Å; F49-F301 HydrophobicContact CG-CD1 3.86Å; F49-F301 AromaticContact CG-CE1 3.48Å; F49-F301 HydrophobicContact CG-CE1 3.48Å; F49-F301 VanDerWaalsContact CG-CE1 3.48Å; F49-F301 HydrophobicContact CG-CZ 4.3Å; F49-F301 HydrophobicContact CZ-CD1 4.16Å; N296-F301 VanDerWaalsContact CG-C 3.45Å; N296-F301 PolarHBondContact OD1-N 3.45Å; N296-F301 VanDerWaalsContact OD1-N 3.08Å; N296-F301 PolarHBondContact OD1-O 3.01Å; F301-F303 HydrophobicContact CD2-CB 4.47Å; F301-F303 HydrophobicContact CD2-CD1 4.05Å; F301-F303 HydrophobicContact CE2-CB 4.04Å; F301-F303 AromaticContact CE2-CD1 3.64Å; F301-F303 HydrophobicContact CE2-CD1 3.64Å; F301-F303 HydrophobicContact CE2-CG 4.26Å; F301-F303 AromaticContact CZ-CD1 3.98Å; F301-F303 HydrophobicContact CZ-CD1 3.98Å
302	T	96.3	Very high	97.1	Very high	80 Å²	80	34.9 Å²	34.9	49%	0.491	19%	0.185	S	C	.	.			trans	-87.3	132.3	-179.2	-62.7	0	0	0	0	111.7	S294 I295 N296 L364	S294-T302 VanDerWaalsContact OG-CG2 3.3Å; S294-T302 WeakPolarHBondContact OG-CG2 3.33Å; I295-T302 WeakPolarHBondContact O-CA 3.05Å; N296-T302 PolarHBondContact ND2-OG1 2.97Å; T302-L364 HydrophobicContact CG2-CD1 3.85Å
303	F	96.9	Very high	97.1	Very high	5 Å²	5	34.9 Å²	34.9	2%	0.022	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	160.3	172.6	55.5	-95.3	0	0	0	111.8	Y37 L39 P40 I295 P297 F301 D308	Y37-F303 HydrophobicContact CE1-CZ 4.13Å; L39-F303 HydrophobicContact CD2-CE1 4.38Å; P40-F303 HydrophobicContact CG-CB 4.09Å; P40-F303 HydrophobicContact CG-CD1 3.59Å; P40-F303 HydrophobicContact CG-CD2 3.79Å; P40-F303 HydrophobicContact CG-CE1 3.87Å; P40-F303 HydrophobicContact CG-CE2 4.08Å; P40-F303 HydrophobicContact CG-CG 3.54Å; P40-F303 HydrophobicContact CG-CZ 4.11Å; I295-F303 HydrophobicContact CB-CD2 4.33Å; I295-F303 HydrophobicContact CB-CE2 3.78Å; I295-F303 HydrophobicContact CB-CZ 4.03Å; I295-F303 HydrophobicContact CD1-CE2 3.96Å; I295-F303 HydrophobicContact CG1-CE2 4.19Å; I295-F303 HydrophobicContact CG2-CE2 4.44Å; I295-F303 HydrophobicContact CG2-CZ 4.31Å; I295-F303 PolarHBondContact N-O 2.87Å; I295-F303 PolarHBondContact O-N 3.22Å; P297-F303 VanDerWaalsContact CD-CE1 3.47Å; P297-F303 HydrophobicContact CG-CE1 4Å; P297-F303 HydrophobicContact CG-CZ 4.01Å; F301-F303 HydrophobicContact CD2-CB 4.47Å; F301-F303 HydrophobicContact CD2-CD1 4.05Å; F301-F303 HydrophobicContact CE2-CB 4.04Å; F301-F303 AromaticContact CE2-CD1 3.64Å; F301-F303 HydrophobicContact CE2-CD1 3.64Å; F301-F303 HydrophobicContact CE2-CG 4.26Å; F301-F303 AromaticContact CZ-CD1 3.98Å; F301-F303 HydrophobicContact CZ-CD1 3.98Å; F303-D308 HydrophobicContact CD2-CB 4.29Å; F303-D308 HydrophobicContact CE2-CB 3.84Å; F303-D308 WeakPolarHBondContact CE2-OD2 3.44Å
304	K	97.4	Very high	97.1	Very high	135 Å²	135	32.4 Å²	32.4	59%	0.587	17%	0.174	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	151.5	179.8	-64.9	-177.3	179.2	-177.3	0	111	K293 T306 Q307	K293-K304 WeakPolarHBondContact O-CA 3.42Å; K304-T306 WeakPolarHBondContact CB-OG1 2.87Å; K304-T306 PolarHBondContact O-N 3.4Å; K304-Q307 WeakPolarHBondContact O-CB 3.35Å; K304-Q307 PolarHBondContact O-N 3.39Å
305	A	97.5	Very high	97.1	Very high	2 Å²	2	31.7 Å²	31.7	2%	0.017	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-54.5	-25.9	171.5	0	0	0	0	0	113.1	V273 I292 K293 Q307 D308	V273-A305 HydrophobicContact CG1-CB 4.24Å; V273-A305 HydrophobicContact CG2-CB 4.05Å; I292-A305 WeakPolarHBondContact O-CB 3.31Å; K293-A305 PolarHBondContact O-N 3.02Å; A305-Q307 PolarHBondContact O-N 3.07Å; A305-D308 PolarHBondContact O-N 2.62Å; A305-D308 VanDerWaalsContact O-N 3.15Å
306	T	96.9	Very high	96.9	Very high	60 Å²	60	33.7 Å²	33.7	37%	0.368	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-67.8	-11	174.6	55.6	0	0	0	0	114.6	W272 V273 R274 K304	W272-T306 WeakPolarHBondContact CH2-O 3.4Å; W272-T306 WeakPolarHBondContact CZ3-O 3.43Å; V273-T306 HydrophobicContact CG2-CG2 3.58Å; R274-T306 WeakPolarHBondContact CD-O 3.22Å; R274-T306 HydrophobicContact CG-CG2 4.26Å; K304-T306 WeakPolarHBondContact CB-OG1 2.87Å; K304-T306 PolarHBondContact O-N 3.4Å
307	Q	97.3	Very high	96.7	Very high	59 Å²	59	40.7 Å²	40.7	28%	0.276	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-103.9	10.4	176.2	-63.9	171	-100.4	0	0	111.4	P40 N162 G163 K304 A305	P40-Q307 HydrophobicContact CB-CB 4.32Å; P40-Q307 WeakPolarHBondContact CB-O 3.35Å; N162-Q307 CarbonylContact C-O 3.54Å; N162-Q307 WeakPolarHBondContact CA-O 2.94Å; N162-Q307 WeakPolarHBondContact CB-O 2.99Å; G163-Q307 PolarHBondContact N-O 3.33Å; K304-Q307 WeakPolarHBondContact O-CB 3.35Å; K304-Q307 PolarHBondContact O-N 3.39Å; A305-Q307 PolarHBondContact O-N 3.07Å
308	D	97.8	Very high	96.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-136.1	113.5	-168.3	-164.8	-58.3	0	0	0	112.4	Y37 Q270 W272 I295 F303 A305 S310	Y37-D308 VanDerWaalsContact CE1-OD2 3.25Å; Y37-D308 WeakPolarHBondContact CE1-OD2 3.36Å; Y37-D308 VanDerWaalsContact CZ-OD2 3.29Å; Y37-D308 VanDerWaalsContact OH-CG 3.23Å; Y37-D308 PolarHBondContact OH-OD1 3.48Å; Y37-D308 PolarHBondContact OH-OD2 3.32Å; Q270-D308 PolarHBondContact NE2-O 2.77Å; Q270-D308 VanDerWaalsContact NE2-O 3.11Å; W272-D308 VanDerWaalsContact CE3-O 3.28Å; I295-D308 HydrophobicContact CD1-CB 4.34Å; F303-D308 HydrophobicContact CD2-CB 4.29Å; F303-D308 HydrophobicContact CE2-CB 3.84Å; F303-D308 WeakPolarHBondContact CE2-OD2 3.44Å; A305-D308 PolarHBondContact O-N 2.62Å; A305-D308 VanDerWaalsContact O-N 3.15Å; D308-S310 WeakPolarHBondContact OD1-CA 3.1Å; D308-S310 WeakPolarHBondContact OD1-CB 3.32Å; D308-S310 PolarHBondContact OD1-N 2.87Å; D308-S310 PolarHBondContact OD1-OG 2.93Å
309	H	97.3	Very high	95.6	Very high	34 Å²	34	42.3 Å²	42.3	16%	0.157	21%	0.214	C	C	.	.			trans	-84.2	-9.7	176.9	-85.8	-141.1	0	0	0	113.2	S140 N162 G163 Q164 W272 K311	S140-H309 WeakPolarHBondContact CB-O 3.36Å; N162-H309 HydrophobicContact CB-CB 4.34Å; N162-H309 WeakPolarHBondContact CB-CD2 3.23Å; N162-H309 VanDerWaalsContact CG-CD2 3.45Å; N162-H309 PolarHBondContact ND2-CD2 2.85Å; N162-H309 VanDerWaalsContact ND2-CD2 3.3Å; N162-H309 PolarHBondContact ND2-NE2 3.44Å; G163-H309 WeakPolarHBondContact O-CA 3.27Å; G163-H309 WeakPolarHBondContact O-CB 3.46Å; G163-H309 PolarHBondContact O-N 3.16Å; Q164-H309 VanDerWaalsContact CD-CB 3.48Å; Q164-H309 VanDerWaalsContact NE2-CB 3.34Å; Q164-H309 VanDerWaalsContact OE1-CB 3.26Å; W272-H309 AromaticContact CD2-CD2 3.41Å; W272-H309 VanDerWaalsContact CD2-CD2 3.41Å; W272-H309 AromaticContact CD2-NE2 3.59Å; W272-H309 AromaticContact CE2-CD2 3.68Å; W272-H309 AromaticContact CE2-NE2 3.32Å; W272-H309 VanDerWaalsContact CE2-NE2 3.32Å; W272-H309 AromaticContact CE3-CD2 3.15Å; W272-H309 AromaticContact CE3-NE2 3.73Å; W272-H309 AromaticContact CH2-CD2 3.39Å; W272-H309 WeakPolarHBondContact CH2-CD2 3.34Å; W272-H309 AromaticContact CH2-NE2 3.27Å; W272-H309 VanDerWaalsContact CH2-NE2 3.27Å; W272-H309 WeakPolarHBondContact CH2-NE2 3.32Å; W272-H309 AromaticContact CZ2-CD2 3.68Å; W272-H309 AromaticContact CZ2-NE2 3.16Å; W272-H309 WeakPolarHBondContact CZ2-NE2 3.48Å; W272-H309 AromaticContact CZ3-CD2 3.15Å; W272-H309 WeakPolarHBondContact CZ3-CD2 3.33Å; W272-H309 AromaticContact CZ3-NE2 3.6Å; H309-K311 PolarHBondContact O-NZ 3.15Å
310	S	97.8	Very high	94.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.218	C	C	.	.			trans	-58.4	151.8	179.6	77.7	0	0	0	0	110.8	Y37 G163 N165 Q270 F271 D308 W312	Y37-S310 PolarHBondContact OH-OG 3.05Å; Y37-S310 VanDerWaalsContact OH-OG 3.13Å; G163-S310 PolarHBondContact O-N 2.89Å; N165-S310 VanDerWaalsContact OD1-CA 3.31Å; N165-S310 WeakPolarHBondContact OD1-CA 3.38Å; N165-S310 WeakPolarHBondContact OD1-CB 3.16Å; Q270-S310 WeakPolarHBondContact CG-OG 3.27Å; F271-S310 WeakPolarHBondContact CA-O 3.16Å; D308-S310 WeakPolarHBondContact OD1-CA 3.1Å; D308-S310 WeakPolarHBondContact OD1-CB 3.32Å; D308-S310 PolarHBondContact OD1-N 2.87Å; D308-S310 PolarHBondContact OD1-OG 2.93Å; S310-W312 PolarHBondContact OG-NE1 3.42Å
311	K	98.4	Very high	92.7	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.017	24%	0.235	C	C	.	.			trans	-131.1	110.7	176.9	-63.2	137.8	175.2	65.7	0	109.9	N165 Q270 F271 H309 G332 D333 I334 N335	N165-K311 PolarHBondContact ND2-N 2.95Å; N165-K311 PolarHBondContact ND2-O 3.16Å; N165-K311 PolarHBondContact OD1-N 3.27Å; N165-K311 VanDerWaalsContact OD1-N 3.09Å; Q270-K311 VanDerWaalsContact O-CA 3.31Å; Q270-K311 WeakPolarHBondContact O-CA 3.23Å; F271-K311 HydrophobicContact CB-CG 4.24Å; H309-K311 PolarHBondContact O-NZ 3.15Å; K311-G332 PolarHBondContact O-N 2.91Å; K311-D333 WeakPolarHBondContact CD-O 3.38Å; K311-D333 WeakPolarHBondContact CE-O 3.48Å; K311-I334 WeakPolarHBondContact CG-O 3.42Å; K311-N335 WeakPolarHBondContact CE-OD1 3.12Å; K311-N335 PolarHBondContact NZ-OD1 3.34Å
312	W	98.8	Very high	90.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	155.3	-179.3	58	-88.5	0	0	0	110.8	Y37 V269 Q270 I292 I295 S310 V314 C330 V331 Y359 A362 A363	Y37-W312 AromaticContact CE2-NE1 3.57Å; Y37-W312 AromaticContact CZ-NE1 4Å; V269-W312 WeakPolarHBondContact CA-O 3.45Å; Q270-W312 HydrophobicContact CB-CD2 3.96Å; Q270-W312 HydrophobicContact CB-CG 4.12Å; Q270-W312 HydrophobicContact CB-CZ2 4.02Å; Q270-W312 PolarHBondContact N-O 3.43Å; Q270-W312 PolarHBondContact O-N 3.47Å; Q270-W312 VanDerWaalsContact O-N 3.09Å; I292-W312 HydrophobicContact CD1-CE3 4.46Å; I292-W312 HydrophobicContact CD1-CH2 3.52Å; I292-W312 HydrophobicContact CD1-CZ2 3.9Å; I292-W312 HydrophobicContact CD1-CZ3 3.83Å; I295-W312 HydrophobicContact CG2-CZ2 4.06Å; S310-W312 PolarHBondContact OG-NE1 3.42Å; W312-V314 HydrophobicContact CE3-CB 4.24Å; W312-V314 HydrophobicContact CE3-CG1 4.33Å; W312-V314 HydrophobicContact CH2-CG1 4.49Å; W312-V314 HydrophobicContact CZ3-CB 3.87Å; W312-V314 HydrophobicContact CZ3-CG1 3.56Å; W312-C330 CarbonylContact C-O 3.52Å; W312-C330 WeakPolarHBondContact CA-O 3.22Å; W312-C330 VanDerWaalsContact CB-O 3.24Å; W312-C330 WeakPolarHBondContact CB-O 3.13Å; W312-V331 HydrophobicContact CB-CG2 4.03Å; W312-Y359 HydrophobicContact CB-CE1 4.14Å; W312-Y359 AromaticContact CD2-CD1 3.5Å; W312-Y359 HydrophobicContact CD2-CD1 3.5Å; W312-Y359 AromaticContact CD2-CE1 3.77Å; W312-Y359 HydrophobicContact CD2-CE1 3.77Å; W312-Y359 AromaticContact CE2-CD1 3.94Å; W312-Y359 AromaticContact CE3-CD1 3.38Å; W312-Y359 HydrophobicContact CE3-CD1 3.38Å; W312-Y359 HydrophobicContact CE3-CE1 4.09Å; W312-Y359 HydrophobicContact CE3-CG 4.23Å; W312-Y359 HydrophobicContact CG-CD1 4.03Å; W312-Y359 AromaticContact CG-CE1 3.79Å; W312-Y359 HydrophobicContact CG-CE1 3.79Å; W312-Y359 HydrophobicContact CH2-CD1 4.11Å; W312-Y359 WeakPolarHBondContact CH2-O 3.42Å; W312-Y359 HydrophobicContact CZ2-CD1 4.25Å; W312-Y359 AromaticContact CZ3-CD1 3.68Å; W312-Y359 HydrophobicContact CZ3-CD1 3.68Å; W312-Y359 HydrophobicContact CZ3-CG 4.31Å; W312-A362 HydrophobicContact CH2-CB 4.44Å; W312-A363 HydrophobicContact CH2-CB 4.15Å
313	A	98.8	Very high	88.4	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	145.5	172.6	0	0	0	0	0	110.1	Y255 L267 L268 V269 V329 C330	Y255-A313 HydrophobicContact CD1-CB 3.8Å; Y255-A313 HydrophobicContact CE1-CB 3.6Å; L267-A313 HydrophobicContact CD1-CB 4.36Å; L268-A313 CarbonylContact O-C 3.53Å; L268-A313 WeakPolarHBondContact O-CA 3.2Å; V269-A313 HydrophobicContact CG1-CB 4.39Å; V269-A313 HydrophobicContact CG2-CB 3.94Å; A313-V329 CarbonylContact O-C 3.56Å; A313-V329 WeakPolarHBondContact O-CA 3.49Å; A313-C330 HydrophobicContact CB-CB 4.27Å; A313-C330 PolarHBondContact N-O 2.86Å; A313-C330 PolarHBondContact O-N 2.93Å
314	V	98.7	Very high	86.4	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	137.5	174.3	67.8	0	0	0	0	109.9	L267 L268 W312 W328 V329 W356 R360	L267-V314 CarbonylContact C-O 3.41Å; L267-V314 WeakPolarHBondContact CA-O 3.25Å; L268-V314 HydrophobicContact CB-CG1 3.92Å; L268-V314 HydrophobicContact CD1-CG1 4.07Å; L268-V314 HydrophobicContact CG-CG1 4.37Å; L268-V314 PolarHBondContact N-O 2.91Å; L268-V314 PolarHBondContact O-N 3.36Å; W312-V314 HydrophobicContact CE3-CB 4.24Å; W312-V314 HydrophobicContact CE3-CG1 4.33Å; W312-V314 HydrophobicContact CH2-CG1 4.49Å; W312-V314 HydrophobicContact CZ3-CB 3.87Å; W312-V314 HydrophobicContact CZ3-CG1 3.56Å; V314-W328 WeakPolarHBondContact CA-O 3.39Å; V314-V329 HydrophobicContact CB-CG2 4.41Å; V314-V329 HydrophobicContact CG2-CG2 3.86Å; V314-W356 VanDerWaalsContact CG2-CD1 3.45Å; V314-W356 HydrophobicContact CG2-CG 4.46Å; V314-R360 HydrophobicContact CG2-CB 4.01Å
315	S	97.9	Very high	85	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	141	174.2	58.4	0	0	0	0	112	D266 R317 G327 W328 W356	D266-S315 CarbonylContact O-C 3.45Å; D266-S315 VanDerWaalsContact O-CA 3.23Å; D266-S315 WeakPolarHBondContact O-CA 3.35Å; S315-R317 PolarHBondContact O-N 3.45Å; S315-R317 PolarHBondContact OG-O 2.69Å; S315-G327 WeakPolarHBondContact OG-CA 3.41Å; S315-W328 PolarHBondContact N-O 2.93Å; S315-W328 PolarHBondContact OG-N 2.85Å; S315-W328 PolarHBondContact OG-O 3.23Å; S315-W356 PolarHBondContact O-NE1 3.49Å; S315-W356 PolarHBondContact OG-NE1 2.97Å
316	L	95.3	Very high	84.3	Confident	42 Å²	42	54.2 Å²	54.2	22%	0.22	30%	0.295	C	S	.	.	S	Bend	trans	-66.3	-29.5	-179.5	-87.7	71.2	0	0	0	112.4	D266 L268 L290	D266-L316 HydrophobicContact CB-CB 4.23Å; D266-L316 HydrophobicContact CB-CD1 3.85Å; D266-L316 HydrophobicContact CB-CD2 4.16Å; D266-L316 HydrophobicContact CB-CG 4.32Å; D266-L316 WeakPolarHBondContact O-CD1 3.07Å; D266-L316 PolarHBondContact O-N 2.97Å; L268-L316 HydrophobicContact CD2-CD1 3.74Å; L268-L316 HydrophobicContact CD2-CG 4.14Å; L268-L316 HydrophobicContact CG-CD1 3.6Å; L268-L316 HydrophobicContact CG-CG 4.11Å; L290-L316 HydrophobicContact CD1-CD2 4.45Å
317	R	92.1	Very high	84.2	Confident	173 Å²	173	51.4 Å²	51.4	65%	0.653	28%	0.278	S	S	*	.	S	Bend	trans	-130.9	150.1	-176	-63.2	-177.3	178.9	171.3	1.2	109.4	S315	S315-R317 PolarHBondContact O-N 3.45Å; S315-R317 PolarHBondContact OG-O 2.69Å
318	A	89.1	Confident	84.2	Confident	43 Å²	43	50.2 Å²	50.2	36%	0.355	27%	0.271	S	S	.	.			trans	-55.9	148.9	165.5	0	0	0	0	0	110.5	G326 W356	A318-G326 CarbonylContact C-O 3.58Å; A318-G326 WeakPolarHBondContact CA-O 3.35Å; A318-G326 WeakPolarHBondContact CB-O 3.44Å; A318-W356 HydrophobicContact CB-CH2 4.22Å; A318-W356 HydrophobicContact CB-CZ3 4.32Å
319	A	79.8	Confident	84.2	Confident	28 Å²	28	50.2 Å²	50.2	23%	0.231	27%	0.271	C	S	.	.			trans	-61.2	144	177.9	0	0	0	0	0	110.7	D321 G326	A319-D321 VanDerWaalsContact C-N 3.33Å; A319-G326 PolarHBondContact N-O 3.04Å
320	R	68.3	Low	84.3	Confident	227 Å²	227	48.6 Å²	48.6	86%	0.857	26%	0.263	S	S	*	.	S	Bend	trans	-79	-15.3	-176.9	-62.3	-171.2	-176.1	-147.7	7.4	113.8	G322	R320-G322 PolarHBondContact O-N 2.9Å
321	D	60	Low	84.4	Confident	110 Å²	110	48.6 Å²	48.6	59%	0.588	26%	0.263	S	S	*	.	S	Bend	trans	-83.4	108.8	175.6	-178.8	-26.5	0	0	0	109	A319 S323	A319-D321 VanDerWaalsContact C-N 3.33Å; D321-S323 PolarHBondContact O-N 2.78Å; D321-S323 WeakPolarHBondContact OD1-CB 3.25Å; D321-S323 PolarHBondContact OD1-N 2.89Å; D321-S323 PolarHBondContact OD1-OG 3.01Å
322	G	50.7	Low	84.3	Confident	80 Å²	80	48.4 Å²	48.4	83%	0.825	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	23.5	-172	0	0	0	0	0	116.5	R320	R320-G322 PolarHBondContact O-N 2.9Å
323	S	48.7	Very low	83.8	Confident	90 Å²	90	48.6 Å²	48.6	63%	0.629	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-18.3	-176.3	54.5	0	0	0	0	115.6	D321	D321-S323 PolarHBondContact O-N 2.78Å; D321-S323 WeakPolarHBondContact OD1-CB 3.25Å; D321-S323 PolarHBondContact OD1-N 2.89Å; D321-S323 PolarHBondContact OD1-OG 3.01Å
324	R	56.7	Low	83.6	Confident	142 Å²	142	48.8 Å²	48.8	54%	0.536	26%	0.264	S	S	.	.	S	Bend	trans	-128.5	-12.5	179.5	-63.3	-172.3	-175.8	-171.6	-1.1	115.8	D240	D240-R324 IonicContact OD2-CZ 3.63Å; D240-R324 IonicContact OD2-NH1 2.97Å; D240-R324 PolarHBondContact OD2-NH1 3.37Å; D240-R324 IonicContact OD2-NH2 3.67Å; D240-R324 PolarHBondContact OD2-NH2 3.29Å
325	G	67.3	Low	83.4	Confident	38 Å²	38	49.2 Å²	49.2	39%	0.392	27%	0.266	S	S	.	.			trans	64.4	163.2	-169.9	0	0	0	0	0	112.6
326	G	82.9	Confident	83.4	Confident	9 Å²	9	49.3 Å²	49.3	9%	0.093	27%	0.267	C	S	.	.	S	Bend	trans	80.1	179.1	174.4	0	0	0	0	0	116.3	A318 A319 P353	A318-G326 CarbonylContact C-O 3.58Å; A318-G326 WeakPolarHBondContact CA-O 3.35Å; A318-G326 WeakPolarHBondContact CB-O 3.44Å; A319-G326 PolarHBondContact N-O 3.04Å; G326-P353 VanDerWaalsContact CA-CA 3.49Å
327	G	94.3	Very high	83.4	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	-175.8	175.9	0	0	0	0	0	112.1	S315 D352 W356	S315-G327 WeakPolarHBondContact OG-CA 3.41Å; G327-D352 PolarHBondContact O-N 3.48Å; G327-W356 VanDerWaalsContact CA-CG 3.45Å; G327-W356 WeakPolarHBondContact O-CB 3.18Å
328	W	97.5	Very high	83.6	Confident	35 Å²	35	45.2 Å²	45.2	13%	0.133	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	139.7	178	-65.3	101.4	0	0	0	112.1	I242 L263 V314 S315 C349 L350 Q351	I242-W328 HydrophobicContact CD1-CH2 3.65Å; I242-W328 HydrophobicContact CD1-CZ3 3.84Å; I242-W328 HydrophobicContact CG1-CH2 4.49Å; I242-W328 HydrophobicContact CG1-CZ3 4.36Å; L263-W328 HydrophobicContact CB-CG 4.32Å; L263-W328 HydrophobicContact CD1-CB 3.96Å; L263-W328 HydrophobicContact CD1-CD2 4.07Å; L263-W328 HydrophobicContact CD1-CE3 4.42Å; L263-W328 HydrophobicContact CD1-CG 3.84Å; L263-W328 HydrophobicContact CD2-CD2 3.86Å; L263-W328 HydrophobicContact CD2-CE3 4.04Å; L263-W328 HydrophobicContact CD2-CG 4.39Å; L263-W328 HydrophobicContact CD2-CH2 4.3Å; L263-W328 HydrophobicContact CD2-CZ2 4.12Å; L263-W328 HydrophobicContact CD2-CZ3 4.25Å; L263-W328 HydrophobicContact CG-CD2 4.39Å; L263-W328 HydrophobicContact CG-CG 4.42Å; V314-W328 WeakPolarHBondContact CA-O 3.39Å; S315-W328 PolarHBondContact N-O 2.93Å; S315-W328 PolarHBondContact OG-N 2.85Å; S315-W328 PolarHBondContact OG-O 3.23Å; W328-C349 HydrophobicContact CE3-CB 4.18Å; W328-L350 WeakPolarHBondContact CA-O 3.28Å; W328-Q351 HydrophobicContact CD2-CB 3.92Å; W328-Q351 HydrophobicContact CD2-CG 4.38Å; W328-Q351 HydrophobicContact CE3-CB 3.65Å; W328-Q351 HydrophobicContact CH2-CB 3.72Å; W328-Q351 HydrophobicContact CZ2-CB 3.98Å; W328-Q351 HydrophobicContact CZ2-CG 4.4Å; W328-Q351 VanDerWaalsContact CZ2-OE1 3.31Å; W328-Q351 HydrophobicContact CZ3-CB 3.56Å
329	V	98.6	Very high	83.9	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	131.9	163.2	173	0	0	0	0	108.4	Y35 A313 V314 C349 L350 V355 W356 Y359	Y35-V329 HydrophobicContact CE1-CG1 4.36Å; A313-V329 CarbonylContact O-C 3.56Å; A313-V329 WeakPolarHBondContact O-CA 3.49Å; V314-V329 HydrophobicContact CB-CG2 4.41Å; V314-V329 HydrophobicContact CG2-CG2 3.86Å; V329-C349 CarbonylContact O-C 3.56Å; V329-C349 WeakPolarHBondContact O-CA 3.34Å; V329-L350 PolarHBondContact N-O 3.06Å; V329-L350 PolarHBondContact O-N 2.88Å; V329-V355 HydrophobicContact CB-CG1 3.91Å; V329-V355 HydrophobicContact CG1-CG1 4Å; V329-V355 HydrophobicContact CG2-CG1 3.99Å; V329-W356 HydrophobicContact CG2-CB 4.33Å; V329-Y359 HydrophobicContact CB-CD2 4.41Å; V329-Y359 HydrophobicContact CG1-CD1 4.31Å; V329-Y359 HydrophobicContact CG1-CD2 3.55Å; V329-Y359 HydrophobicContact CG1-CE2 3.78Å; V329-Y359 HydrophobicContact CG1-CG 3.81Å; V329-Y359 HydrophobicContact CG2-CD2 4.04Å; V329-Y359 HydrophobicContact CG2-CG 4.15Å
330	C	98.8	Very high	84.6	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	130.3	177.7	-57.2	0	0	0	0	109.2	W312 A313 T347 V348 C349	W312-C330 CarbonylContact C-O 3.52Å; W312-C330 WeakPolarHBondContact CA-O 3.22Å; W312-C330 VanDerWaalsContact CB-O 3.24Å; W312-C330 WeakPolarHBondContact CB-O 3.13Å; A313-C330 HydrophobicContact CB-CB 4.27Å; A313-C330 PolarHBondContact N-O 2.86Å; A313-C330 PolarHBondContact O-N 2.93Å; C330-T347 HydrophobicContact CB-CG2 3.96Å; C330-T347 VanDerWaalsContact CB-OG1 3.29Å; C330-T347 WeakPolarHBondContact CB-OG1 3.49Å; C330-V348 CarbonylContact C-O 3.52Å; C330-V348 WeakPolarHBondContact CA-O 3.4Å; C330-C349 HydrophobicContact CB-CB 4.06Å; C330-C349 WeakPolarHBondContact CB-SG 3.46Å; C330-C349 WeakPolarHBondContact SG-CB 3.19Å; C330-C349 CovalentContact SG-SG 2.04Å; C330-C349 PolarHBondContact SG-SG 2.7Å
331	V	98.8	Very high	85.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.5	175.1	162.9	0	0	0	0	108.6	Y35 N165 I167 W312 T347 V348	Y35-V331 HydrophobicContact CD1-CG2 3.79Å; Y35-V331 HydrophobicContact CE1-CB 4.22Å; Y35-V331 HydrophobicContact CE1-CG2 3.65Å; N165-V331 HydrophobicContact CB-CG1 4.5Å; N165-V331 VanDerWaalsContact ND2-CG1 3.29Å; N165-V331 WeakPolarHBondContact ND2-CG1 3.49Å; I167-V331 HydrophobicContact CB-CB 4.1Å; I167-V331 HydrophobicContact CB-CG1 3.81Å; I167-V331 HydrophobicContact CG2-CB 3.97Å; I167-V331 HydrophobicContact CG2-CG1 3.55Å; W312-V331 HydrophobicContact CB-CG2 4.03Å; V331-T347 PolarHBondContact N-OG1 2.81Å; V331-T347 WeakPolarHBondContact O-CA 3.37Å; V331-T347 PolarHBondContact O-OG1 3.19Å; V331-T347 VanDerWaalsContact O-OG1 3.04Å; V331-V348 PolarHBondContact N-O 2.94Å; V331-V348 PolarHBondContact O-N 2.59Å
332	G	96.4	Very high	87.6	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	-159.9	-173.2	0	0	0	0	0	113.2	K311 G346 T347	K311-G332 PolarHBondContact O-N 2.91Å; G332-G346 VanDerWaalsContact CA-O 3.28Å; G332-G346 WeakPolarHBondContact CA-O 3.08Å; G332-T347 PolarHBondContact N-OG1 2.87Å
333	D	89.8	Confident	89.6	Confident	4 Å²	4	37.6 Å²	37.6	2%	0.021	19%	0.192	C	C	.	.	S	Bend	trans	-135.7	-7	-168.3	51.8	14.1	0	0	0	114	H122 T123 K124 V138 K311 G346	H122-D333 PolarHBondContact CE1-O 2.93Å; H122-D333 PolarHBondContact ND1-O 2.95Å; H122-D333 CarbonylContact O-C 3.49Å; T123-D333 WeakPolarHBondContact CA-OD2 3.08Å; T123-D333 WeakPolarHBondContact CB-OD2 3.38Å; T123-D333 PolarHBondContact OG1-OD2 2.9Å; K124-D333 PolarHBondContact N-OD2 3.49Å; V138-D333 HydrophobicContact CG1-CB 4.46Å; K311-D333 WeakPolarHBondContact CD-O 3.38Å; K311-D333 WeakPolarHBondContact CE-O 3.48Å; D333-G346 PolarHBondContact N-O 2.79Å; D333-G346 PolarHBondContact OD1-N 2.96Å
334	I	93.1	Very high	91.8	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.015	16%	0.163	C	C	.	.			trans	-89.2	138.2	174.8	-76.9	-163.2	0	0	0	113.8	K246 L254 K311 E340 G345	K246-I334 HydrophobicContact CD-CD1 3.93Å; K246-I334 HydrophobicContact CG-CD1 4.01Å; L254-I334 HydrophobicContact CD2-CB 4.42Å; K311-I334 WeakPolarHBondContact CG-O 3.42Å; I334-E340 HydrophobicContact CG2-CB 4.18Å; I334-G345 VanDerWaalsContact CD1-C 3.46Å; I334-G345 VanDerWaalsContact CD1-CA 3.4Å
335	N	95.6	Very high	93.7	Very high	9 Å²	9	26.6 Å²	26.6	5%	0.048	14%	0.137	C	C	.	.			trans	-84.1	162.9	167.3	-60	-52.6	0	0	0	112	H122 F271 W272 K311 N337 E340	H122-N335 PolarHBondContact NE2-ND2 2.92Å; F271-N335 HydrophobicContact CB-CB 4.45Å; F271-N335 HydrophobicContact CD2-CB 4.25Å; W272-N335 WeakPolarHBondContact CB-OD1 3.33Å; W272-N335 PolarHBondContact N-OD1 3.25Å; W272-N335 VanDerWaalsContact N-OD1 3.07Å; K311-N335 WeakPolarHBondContact CE-OD1 3.12Å; K311-N335 PolarHBondContact NZ-OD1 3.34Å; N335-N337 WeakPolarHBondContact CB-ND2 3.25Å; N335-N337 PolarHBondContact O-N 2.9Å; N335-E340 HydrophobicContact CB-CG 4.09Å; N335-E340 WeakPolarHBondContact O-CB 3.49Å
336	R	97	Very high	95.2	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.008	12%	0.122	C	C	.	.	S	Bend	trans	-98.1	80.3	171.4	-64	-176.1	71.8	-150.7	1.1	111.5	D253 Y255 V269 F271 L279 V289 D291	D253-R336 IonicContact OD1-NE 3.5Å; D253-R336 PolarHBondContact OD1-NE 3.48Å; D253-R336 IonicContact OD2-CZ 3.62Å; D253-R336 VanDerWaalsContact OD2-CZ 3.3Å; D253-R336 IonicContact OD2-NE 3.87Å; D253-R336 PolarHBondContact OD2-NE 3.35Å; D253-R336 IonicContact OD2-NH2 3.59Å; D253-R336 PolarHBondContact OD2-NH2 2.85Å; Y255-R336 HydrophobicContact CD2-CG 3.7Å; Y255-R336 HydrophobicContact CE2-CG 4.07Å; V269-R336 HydrophobicContact CG1-CG 4.38Å; F271-R336 HydrophobicContact CD1-CB 4.04Å; F271-R336 HydrophobicContact CD1-CG 4.16Å; F271-R336 HydrophobicContact CD2-CB 3.96Å; F271-R336 VanDerWaalsContact CD2-N 3.35Å; F271-R336 HydrophobicContact CE1-CB 3.94Å; F271-R336 HydrophobicContact CE1-CG 4.39Å; F271-R336 HydrophobicContact CE2-CB 3.79Å; F271-R336 VanDerWaalsContact CE2-O 3.23Å; F271-R336 WeakPolarHBondContact CE2-O 3.47Å; F271-R336 HydrophobicContact CG-CB 4.06Å; F271-R336 HydrophobicContact CG-CG 4.34Å; F271-R336 HydrophobicContact CZ-CB 3.8Å; L279-R336 PolarHBondContact N-O 3.32Å; L279-R336 VanDerWaalsContact N-O 3.08Å; V289-R336 VanDerWaalsContact CG1-NH1 3.31Å; D291-R336 IonicContact OD1-CZ 3.81Å; D291-R336 IonicContact OD1-NH1 2.87Å; D291-R336 PolarHBondContact OD1-NH1 3.27Å
337	N	96.6	Very high	95.9	Very high	7 Å²	7	24.8 Å²	24.8	4%	0.037	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-142.2	159.1	171.8	69.2	70.4	0	0	0	110.9	T276 G277 I278 N335 A339 E340 E341	T276-N337 WeakPolarHBondContact O-CB 3.23Å; G277-N337 CarbonylContact O-C 3.48Å; G277-N337 WeakPolarHBondContact O-CA 3.36Å; G277-N337 VanDerWaalsContact O-CB 3.27Å; G277-N337 WeakPolarHBondContact O-CB 3.36Å; I278-N337 HydrophobicContact CD1-CB 4.29Å; N335-N337 WeakPolarHBondContact CB-ND2 3.25Å; N335-N337 PolarHBondContact O-N 2.9Å; N337-A339 PolarHBondContact O-N 3.5Å; N337-A339 VanDerWaalsContact O-N 3.14Å; N337-A339 WeakPolarHBondContact OD1-CB 3.12Å; N337-A339 PolarHBondContact OD1-N 2.77Å; N337-A339 VanDerWaalsContact OD1-N 3.15Å; N337-E340 WeakPolarHBondContact ND2-CG 3.24Å; N337-E340 PolarHBondContact O-N 2.86Å; N337-E340 PolarHBondContact OD1-N 3.14Å; N337-E341 PolarHBondContact O-N 2.94Å
338	E	96.6	Very high	96.2	Very high	123 Å²	123	25 Å²	25	58%	0.575	12%	0.119	S	C	*	.	H	α-helix	trans	-51.8	-37	-175.7	-69.2	172.5	-171.9	0	0	113.2	G277 L279 E340 E341	G277-E338 PolarHBondContact O-N 3.25Å; L279-E338 HydrophobicContact CD2-CG 3.94Å; E338-E340 VanDerWaalsContact C-N 3.33Å; E338-E340 PolarHBondContact O-N 3.26Å; E338-E341 WeakPolarHBondContact O-CB 3.23Å; E338-E341 PolarHBondContact O-N 2.77Å
339	A	93.9	Very high	96.2	Very high	59 Å²	59	23.3 Å²	23.3	49%	0.488	11%	0.113	S	C	.	.	H	α-helix	trans	-68.3	-34.4	179.2	0	0	0	0	0	112	N337 E341 R342	N337-A339 PolarHBondContact O-N 3.5Å; N337-A339 VanDerWaalsContact O-N 3.14Å; N337-A339 WeakPolarHBondContact OD1-CB 3.12Å; N337-A339 PolarHBondContact OD1-N 2.77Å; N337-A339 VanDerWaalsContact OD1-N 3.15Å; A339-E341 VanDerWaalsContact C-N 3.31Å; A339-E341 PolarHBondContact O-N 2.88Å; A339-R342 PolarHBondContact O-N 2.86Å
340	E	95.1	Very high	96.2	Very high	14 Å²	14	23.5 Å²	23.5	7%	0.065	11%	0.114	C	C	.	.	H	α-helix	trans	-78.9	-12.1	-179.6	-58	-53.1	152.9	0	0	113.6	H122 K246 I334 N335 N337 E338 R342 R343	H122-E340 WeakPolarHBondContact CB-OE2 3.25Å; H122-E340 IonicContact CD2-OE1 3.6Å; H122-E340 PolarHBondContact CD2-OE1 3.21Å; H122-E340 VanDerWaalsContact CD2-OE1 3.27Å; H122-E340 IonicContact CD2-OE2 2.85Å; H122-E340 IonicContact CG-OE1 2.7Å; H122-E340 IonicContact CG-OE2 3.5Å; K246-E340 PolarHBondContact NZ-O 3.29Å; I334-E340 HydrophobicContact CG2-CB 4.18Å; N335-E340 HydrophobicContact CB-CG 4.09Å; N335-E340 WeakPolarHBondContact O-CB 3.49Å; N337-E340 WeakPolarHBondContact ND2-CG 3.24Å; N337-E340 PolarHBondContact O-N 2.86Å; N337-E340 PolarHBondContact OD1-N 3.14Å; E338-E340 VanDerWaalsContact C-N 3.33Å; E338-E340 PolarHBondContact O-N 3.26Å; E340-R342 PolarHBondContact O-N 3.18Å; E340-R343 PolarHBondContact O-N 2.98Å; E340-R343 IonicContact OE1-CZ 3.06Å; E340-R343 IonicContact OE1-NH1 3.48Å; E340-R343 PolarHBondContact OE1-NH1 2.96Å; E340-R343 WeakPolarHBondContact OE2-CB 3.08Å; E340-R343 VanDerWaalsContact OE2-CD 3.32Å; E340-R343 WeakPolarHBondContact OE2-CD 3.45Å; E340-R343 IonicContact OE2-CZ 3.65Å; E340-R343 IonicContact OE2-NE 3.3Å; E340-R343 IonicContact OE2-NH1 2.59Å
341	E	96	Very high	96	Very high	43 Å²	43	25.1 Å²	25.1	20%	0.201	12%	0.121	C	C	.	.	H	α-helix	trans	-58.4	-33.3	167	-64	-174.2	119.2	0	0	110.6	K246 D251 D252 L279 N337 E338 A339	K246-E341 VanDerWaalsContact NZ-C 3.31Å; K246-E341 VanDerWaalsContact NZ-CA 3.35Å; K246-E341 PolarHBondContact NZ-O 2.99Å; D251-E341 VanDerWaalsContact CA-O 3.23Å; D251-E341 WeakPolarHBondContact CA-O 3.49Å; D251-E341 PolarHBondContact N-O 2.82Å; D252-E341 PolarHBondContact N-O 3.38Å; L279-E341 HydrophobicContact CD1-CG 4.08Å; N337-E341 PolarHBondContact O-N 2.94Å; E338-E341 WeakPolarHBondContact O-CB 3.23Å; E338-E341 PolarHBondContact O-N 2.77Å; A339-E341 VanDerWaalsContact C-N 3.31Å; A339-E341 PolarHBondContact O-N 2.88Å
342	R	94.8	Very high	95.8	Very high	167 Å²	167	27 Å²	27	63%	0.63	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104	15.9	-177.4	-66.2	176.6	-177.1	165.9	7.9	114.6	A248 D251 A339 E340	A248-R342 VanDerWaalsContact CA-O 3.3Å; A248-R342 WeakPolarHBondContact CA-O 3.5Å; A248-R342 WeakPolarHBondContact CB-O 3.42Å; D251-R342 WeakPolarHBondContact OD1-CD 3.49Å; D251-R342 WeakPolarHBondContact OD1-CG 3.24Å; D251-R342 IonicContact OD1-CZ 3.69Å; D251-R342 IonicContact OD1-NE 2.76Å; D251-R342 PolarHBondContact OD1-NE 3.11Å; D251-R342 IonicContact OD1-NH2 3.73Å; D251-R342 IonicContact OD2-NE 3.98Å; A339-R342 PolarHBondContact O-N 2.86Å; E340-R342 PolarHBondContact O-N 3.18Å
343	R	93.6	Very high	95.8	Very high	45 Å²	45	29.7 Å²	29.7	17%	0.17	15%	0.149	C	C	.	.	S	Bend	trans	-118.8	150.3	174.4	-67.1	-177.7	67.1	-155.5	1.3	110.6	D101 K120 H122 K246 E340	D101-R343 IonicContact OD2-CZ 3.27Å; D101-R343 IonicContact OD2-NH1 3.85Å; D101-R343 IonicContact OD2-NH2 3.87Å; D101-R343 PolarHBondContact OD2-NH2 3.32Å; K120-R343 PolarHBondContact O-NE 3.43Å; K120-R343 PolarHBondContact O-NH2 3.46Å; H122-R343 PolarHBondContact CD2-NH1 3.29Å; H122-R343 VanDerWaalsContact CD2-NH1 3.25Å; K246-R343 VanDerWaalsContact CE-O 3.24Å; K246-R343 WeakPolarHBondContact CE-O 3.32Å; E340-R343 PolarHBondContact O-N 2.98Å; E340-R343 IonicContact OE1-CZ 3.06Å; E340-R343 IonicContact OE1-NH1 3.48Å; E340-R343 PolarHBondContact OE1-NH1 2.96Å; E340-R343 WeakPolarHBondContact OE2-CB 3.08Å; E340-R343 VanDerWaalsContact OE2-CD 3.32Å; E340-R343 WeakPolarHBondContact OE2-CD 3.45Å; E340-R343 IonicContact OE2-CZ 3.65Å; E340-R343 IonicContact OE2-NE 3.3Å; E340-R343 IonicContact OE2-NH1 2.59Å
344	G	95.1	Very high	96.1	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.01	16%	0.161	C	C	.	.			trans	-78.6	159.1	174.6	0	0	0	0	0	112.8	G121 H122 N186 K246	G121-G344 CarbonylContact C-O 3.46Å; G121-G344 WeakPolarHBondContact CA-O 2.91Å; H122-G344 PolarHBondContact N-O 3.1Å; N186-G344 CarbonylContact O-C 3.58Å; N186-G344 VanDerWaalsContact O-CA 3.25Å; N186-G344 WeakPolarHBondContact O-CA 3.35Å; K246-G344 CarbonylContact O-C 3.57Å; K246-G344 WeakPolarHBondContact O-CA 2.96Å
345	G	96.8	Very high	96.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	145.5	-172.7	-176.4	0	0	0	0	0	110.7	N186 K246 I334	N186-G345 WeakPolarHBondContact ND2-CA 3.23Å; N186-G345 PolarHBondContact ND2-N 2.8Å; N186-G345 PolarHBondContact ND2-O 3.23Å; K246-G345 VanDerWaalsContact CG-O 3.25Å; K246-G345 WeakPolarHBondContact CG-O 3.45Å; K246-G345 PolarHBondContact N-O 2.92Å; K246-G345 PolarHBondContact O-N 2.8Å; I334-G345 VanDerWaalsContact CD1-C 3.46Å; I334-G345 VanDerWaalsContact CD1-CA 3.4Å
346	G	97.7	Very high	96.4	Very high	6 Å²	6	33.6 Å²	33.6	6%	0.062	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.8	-168.4	-164.8	0	0	0	0	0	116.5	F244 G332 D333	F244-G346 CarbonylContact O-C 3.38Å; F244-G346 WeakPolarHBondContact O-CA 3.37Å; G332-G346 VanDerWaalsContact CA-O 3.28Å; G332-G346 WeakPolarHBondContact CA-O 3.08Å; D333-G346 PolarHBondContact N-O 2.79Å; D333-G346 PolarHBondContact OD1-N 2.96Å
347	T	98.8	Very high	96.4	Very high	2 Å²	2	40 Å²	40	1%	0.012	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	146.9	174.4	-165.9	0	0	0	0	111.3	F244 L254 Y255 V259 C330 V331 G332	F244-T347 HydrophobicContact CB-CG2 4.12Å; F244-T347 HydrophobicContact CD2-CG2 4.23Å; F244-T347 HydrophobicContact CG-CG2 4.48Å; F244-T347 PolarHBondContact N-O 3.19Å; F244-T347 PolarHBondContact O-N 3.04Å; L254-T347 HydrophobicContact CD2-CG2 4.36Å; Y255-T347 HydrophobicContact CE1-CG2 4.29Å; V259-T347 HydrophobicContact CG2-CG2 4.05Å; C330-T347 HydrophobicContact CB-CG2 3.96Å; C330-T347 VanDerWaalsContact CB-OG1 3.29Å; C330-T347 WeakPolarHBondContact CB-OG1 3.49Å; V331-T347 PolarHBondContact N-OG1 2.81Å; V331-T347 WeakPolarHBondContact O-CA 3.37Å; V331-T347 PolarHBondContact O-OG1 3.19Å; V331-T347 VanDerWaalsContact O-OG1 3.04Å; G332-T347 PolarHBondContact N-OG1 2.87Å
348	V	98.8	Very high	96.4	Very high	4 Å²	4	40 Å²	40	2%	0.024	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	120.2	176.8	-177.8	0	0	0	0	108.2	W136 V138 I167 F241 I242 C330 V331	W136-V348 HydrophobicContact CE3-CG2 4.47Å; W136-V348 HydrophobicContact CH2-CG2 3.78Å; W136-V348 HydrophobicContact CZ3-CG2 3.72Å; V138-V348 HydrophobicContact CG2-CG2 4.15Å; I167-V348 HydrophobicContact CD1-CB 4.23Å; I167-V348 HydrophobicContact CD1-CG1 3.98Å; F241-V348 HydrophobicContact CB-CG1 3.87Å; F241-V348 HydrophobicContact CD1-CG1 3.88Å; F241-V348 HydrophobicContact CG-CG1 4.19Å; I242-V348 WeakPolarHBondContact O-CA 3.1Å; C330-V348 CarbonylContact C-O 3.52Å; C330-V348 WeakPolarHBondContact CA-O 3.4Å; V331-V348 PolarHBondContact N-O 2.94Å; V331-V348 PolarHBondContact O-N 2.59Å
349	C	98.7	Very high	96.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	137.8	-174	-57.3	0	0	0	0	112.4	F241 I242 F244 W328 V329 C330	F241-C349 CarbonylContact C-O 3.51Å; F241-C349 VanDerWaalsContact CA-O 3.32Å; F241-C349 WeakPolarHBondContact CA-O 3.37Å; I242-C349 HydrophobicContact CB-CB 4.43Å; I242-C349 PolarHBondContact N-O 2.97Å; I242-C349 PolarHBondContact O-N 3.39Å; F244-C349 HydrophobicContact CE2-CB 4.32Å; W328-C349 HydrophobicContact CE3-CB 4.18Å; V329-C349 CarbonylContact O-C 3.56Å; V329-C349 WeakPolarHBondContact O-CA 3.34Å; C330-C349 HydrophobicContact CB-CB 4.06Å; C330-C349 WeakPolarHBondContact CB-SG 3.46Å; C330-C349 WeakPolarHBondContact SG-CB 3.19Å; C330-C349 CovalentContact SG-SG 2.04Å; C330-C349 PolarHBondContact SG-SG 2.7Å
350	L	97.4	Very high	96.7	Very high	5 Å²	5	33.6 Å²	33.6	3%	0.026	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	140.3	171.7	178.8	60.1	0	0	0	109.4	W33 Y35 T239 F241 W328 V329 D352 V355	W33-L350 HydrophobicContact CH2-CD2 4.27Å; W33-L350 HydrophobicContact CZ2-CD2 4.11Å; Y35-L350 HydrophobicContact CE2-CD2 4.06Å; Y35-L350 VanDerWaalsContact OH-CB 3.25Å; Y35-L350 WeakPolarHBondContact OH-CB 3.24Å; T239-L350 HydrophobicContact CG2-CD1 3.49Å; T239-L350 VanDerWaalsContact CG2-CD1 3.49Å; F241-L350 HydrophobicContact CD1-CB 3.86Å; F241-L350 HydrophobicContact CD1-CD1 4.26Å; F241-L350 HydrophobicContact CD1-CG 4.48Å; F241-L350 HydrophobicContact CE1-CB 3.74Å; F241-L350 HydrophobicContact CE1-CD1 4.01Å; F241-L350 HydrophobicContact CE1-CD2 3.82Å; F241-L350 HydrophobicContact CE1-CG 4.06Å; F241-L350 HydrophobicContact CZ-CD1 4.26Å; F241-L350 HydrophobicContact CZ-CD2 4.15Å; W328-L350 WeakPolarHBondContact CA-O 3.28Å; V329-L350 PolarHBondContact N-O 3.06Å; V329-L350 PolarHBondContact O-N 2.88Å; L350-D352 HydrophobicContact CD1-CB 4.45Å; L350-D352 HydrophobicContact CD2-CB 3.79Å; L350-D352 HydrophobicContact CG-CB 3.8Å; L350-V355 HydrophobicContact CD2-CG2 4.03Å
351	Q	95.8	Very high	96.8	Very high	33 Å²	33	36.4 Å²	36.4	15%	0.154	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	102.9	165.5	-172.7	-177.2	-2	0	0	108.6	W328	W328-Q351 HydrophobicContact CD2-CB 3.92Å; W328-Q351 HydrophobicContact CD2-CG 4.38Å; W328-Q351 HydrophobicContact CE3-CB 3.65Å; W328-Q351 HydrophobicContact CH2-CB 3.72Å; W328-Q351 HydrophobicContact CZ2-CB 3.98Å; W328-Q351 HydrophobicContact CZ2-CG 4.4Å; W328-Q351 VanDerWaalsContact CZ2-OE1 3.31Å; W328-Q351 HydrophobicContact CZ3-CB 3.56Å
352	D	95.2	Very high	96.9	Very high	40 Å²	40	34.4 Å²	34.4	21%	0.214	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	132.4	-179.9	178.2	-80.9	0	0	0	109.7	G327 L350 T354 V355 W356	G327-D352 PolarHBondContact O-N 3.48Å; L350-D352 HydrophobicContact CD1-CB 4.45Å; L350-D352 HydrophobicContact CD2-CB 3.79Å; L350-D352 HydrophobicContact CG-CB 3.8Å; D352-T354 PolarHBondContact O-N 3.44Å; D352-T354 WeakPolarHBondContact OD1-CA 3.48Å; D352-T354 WeakPolarHBondContact OD1-CB 3.41Å; D352-T354 PolarHBondContact OD1-N 2.56Å; D352-V355 HydrophobicContact CB-CB 4.06Å; D352-V355 HydrophobicContact CB-CG2 3.95Å; D352-V355 WeakPolarHBondContact OD1-CG2 3.48Å; D352-V355 PolarHBondContact OD1-N 3.33Å; D352-W356 WeakPolarHBondContact O-CB 3.49Å; D352-W356 PolarHBondContact O-N 3.39Å
353	P	94.9	Very high	97	Very high	57 Å²	57	26.5 Å²	26.5	37%	0.37	13%	0.134	S	C	.	.	H	α-helix	trans	-63.6	-36.9	-177.1	24.3	-33.7	0	0	0	114.1	G326 K357	G326-P353 VanDerWaalsContact CA-CA 3.49Å; P353-K357 VanDerWaalsContact O-CB 3.28Å; P353-K357 WeakPolarHBondContact O-CB 3.35Å; P353-K357 PolarHBondContact O-N 2.83Å
354	T	96.4	Very high	97.3	Very high	44 Å²	44	26.7 Å²	26.7	27%	0.27	14%	0.138	S	C	.	.	H	α-helix	trans	-73.7	-49	-179	-60.9	0	0	0	0	110.3	L57 S61 E62 D352 W356 K357 A358	L57-T354 HydrophobicContact CD1-CG2 4.1Å; S61-T354 WeakPolarHBondContact O-CG2 3.48Å; E62-T354 WeakPolarHBondContact O-CG2 3.33Å; D352-T354 PolarHBondContact O-N 3.44Å; D352-T354 WeakPolarHBondContact OD1-CA 3.48Å; D352-T354 WeakPolarHBondContact OD1-CB 3.41Å; D352-T354 PolarHBondContact OD1-N 2.56Å; T354-W356 VanDerWaalsContact C-N 3.33Å; T354-W356 PolarHBondContact O-N 2.77Å; T354-K357 PolarHBondContact O-N 3.26Å; T354-A358 WeakPolarHBondContact O-CB 3.31Å; T354-A358 PolarHBondContact O-N 2.79Å
355	V	97.6	Very high	97.4	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-61.1	-45	177.4	-175.6	0	0	0	0	110.4	W33 Y35 L57 V329 L350 D352 K357 A358 Y359	W33-V355 HydrophobicContact CH2-CG2 3.66Å; W33-V355 HydrophobicContact CZ3-CG2 3.89Å; Y35-V355 HydrophobicContact CD2-CG1 4.08Å; Y35-V355 HydrophobicContact CD2-CG2 4.32Å; Y35-V355 HydrophobicContact CE1-CG1 4.33Å; Y35-V355 HydrophobicContact CE2-CG1 3.68Å; Y35-V355 HydrophobicContact CE2-CG2 3.98Å; L57-V355 HydrophobicContact CD2-CB 4.1Å; L57-V355 HydrophobicContact CD2-CG1 4.1Å; L57-V355 HydrophobicContact CD2-CG2 3.8Å; L57-V355 HydrophobicContact CG-CG2 4.45Å; V329-V355 HydrophobicContact CB-CG1 3.91Å; V329-V355 HydrophobicContact CG1-CG1 4Å; V329-V355 HydrophobicContact CG2-CG1 3.99Å; L350-V355 HydrophobicContact CD2-CG2 4.03Å; D352-V355 HydrophobicContact CB-CB 4.06Å; D352-V355 HydrophobicContact CB-CG2 3.95Å; D352-V355 WeakPolarHBondContact OD1-CG2 3.48Å; D352-V355 PolarHBondContact OD1-N 3.33Å; V355-K357 PolarHBondContact O-N 2.7Å; V355-A358 PolarHBondContact O-N 2.79Å; V355-Y359 HydrophobicContact CG1-CD2 3.92Å; V355-Y359 HydrophobicContact CG1-CE2 4.05Å; V355-Y359 WeakPolarHBondContact O-CD2 3.24Å; V355-Y359 PolarHBondContact O-N 2.88Å
356	W	97.6	Very high	97.5	Very high	53 Å²	53	30.3 Å²	30.3	20%	0.201	16%	0.155	C	C	.	.	H	α-helix	trans	-58.2	-48.6	175.2	176.8	71.7	0	0	0	112.6	V314 S315 A318 G327 V329 D352 T354 A358 Y359 R360	V314-W356 VanDerWaalsContact CG2-CD1 3.45Å; V314-W356 HydrophobicContact CG2-CG 4.46Å; S315-W356 PolarHBondContact O-NE1 3.49Å; S315-W356 PolarHBondContact OG-NE1 2.97Å; A318-W356 HydrophobicContact CB-CH2 4.22Å; A318-W356 HydrophobicContact CB-CZ3 4.32Å; G327-W356 VanDerWaalsContact CA-CG 3.45Å; G327-W356 WeakPolarHBondContact O-CB 3.18Å; V329-W356 HydrophobicContact CG2-CB 4.33Å; D352-W356 WeakPolarHBondContact O-CB 3.49Å; D352-W356 PolarHBondContact O-N 3.39Å; T354-W356 VanDerWaalsContact C-N 3.33Å; T354-W356 PolarHBondContact O-N 2.77Å; W356-A358 VanDerWaalsContact C-N 3.32Å; W356-A358 PolarHBondContact O-N 3.41Å; W356-Y359 PolarHBondContact O-N 3.35Å; W356-R360 HydrophobicContact CD2-CB 4.45Å; W356-R360 HydrophobicContact CZ2-CB 4.4Å; W356-R360 HydrophobicContact CZ2-CG 3.99Å; W356-R360 WeakPolarHBondContact O-CA 3.23Å; W356-R360 WeakPolarHBondContact O-CB 3.23Å; W356-R360 PolarHBondContact O-N 3.28Å
357	K	96.8	Very high	97.5	Very high	135 Å²	135	31.9 Å²	31.9	59%	0.587	16%	0.161	S	C	*	.	H	α-helix	trans	-58.5	-46.8	177.7	-176	-177.7	176.9	-170	0	110.8	P353 T354 V355 Y359 R360 T361	P353-K357 VanDerWaalsContact O-CB 3.28Å; P353-K357 WeakPolarHBondContact O-CB 3.35Å; P353-K357 PolarHBondContact O-N 2.83Å; T354-K357 PolarHBondContact O-N 3.26Å; V355-K357 PolarHBondContact O-N 2.7Å; K357-Y359 PolarHBondContact O-N 2.73Å; K357-R360 PolarHBondContact O-N 3.08Å; K357-T361 HydrophobicContact CG-CG2 4.41Å; K357-T361 WeakPolarHBondContact O-CG2 3.3Å; K357-T361 PolarHBondContact O-N 3.32Å; K357-T361 PolarHBondContact O-OG1 2.99Å
358	A	97.8	Very high	97.4	Very high	7 Å²	7	32.8 Å²	32.8	6%	0.058	17%	0.168	C	C	.	.	H	α-helix	trans	-59.4	-42.3	-177.6	0	0	0	0	0	113.2	L57 W64 T354 V355 W356	L57-A358 HydrophobicContact CD2-CB 3.96Å; W64-A358 HydrophobicContact CG-CB 4.38Å; W64-A358 PolarHBondContact NE1-O 3.19Å; T354-A358 WeakPolarHBondContact O-CB 3.31Å; T354-A358 PolarHBondContact O-N 2.79Å; V355-A358 PolarHBondContact O-N 2.79Å; W356-A358 VanDerWaalsContact C-N 3.32Å; W356-A358 PolarHBondContact O-N 3.41Å
359	Y	98.4	Very high	97.2	Very high	1 Å²	1	35 Å²	35	0%	0.004	18%	0.183	C	C	.	.	H	α-helix	trans	-80.8	-35.7	176	-83.2	-88.1	0	0	0	113	Y35 Y37 W64 W312 V329 V355 W356 K357 T361 A362 A363	Y35-Y359 AromaticContact CD1-CE2 3.9Å; Y35-Y359 HydrophobicContact CD1-CE2 3.9Å; Y35-Y359 WeakPolarHBondContact CD1-OH 3.36Å; Y35-Y359 HydrophobicContact CE1-CE2 4.38Å; Y35-Y359 HydrophobicContact CG-CE2 4.25Å; Y37-Y359 HydrophobicContact CD2-CE1 4.29Å; Y37-Y359 HydrophobicContact CE2-CE1 4.44Å; W64-Y359 AromaticContact CH2-CE2 3.73Å; W64-Y359 HydrophobicContact CH2-CE2 3.73Å; W64-Y359 AromaticContact CH2-CZ 3.76Å; W64-Y359 AromaticContact CZ2-CD2 3.91Å; W64-Y359 HydrophobicContact CZ2-CD2 3.91Å; W64-Y359 HydrophobicContact CZ2-CE1 4.16Å; W64-Y359 AromaticContact CZ2-CE2 3.44Å; W64-Y359 HydrophobicContact CZ2-CE2 3.44Å; W64-Y359 VanDerWaalsContact CZ2-CE2 3.44Å; W64-Y359 HydrophobicContact CZ2-CG 4.47Å; W64-Y359 AromaticContact CZ2-CZ 3.59Å; W312-Y359 HydrophobicContact CB-CE1 4.14Å; W312-Y359 AromaticContact CD2-CD1 3.5Å; W312-Y359 HydrophobicContact CD2-CD1 3.5Å; W312-Y359 AromaticContact CD2-CE1 3.77Å; W312-Y359 HydrophobicContact CD2-CE1 3.77Å; W312-Y359 AromaticContact CE2-CD1 3.94Å; W312-Y359 AromaticContact CE3-CD1 3.38Å; W312-Y359 HydrophobicContact CE3-CD1 3.38Å; W312-Y359 HydrophobicContact CE3-CE1 4.09Å; W312-Y359 HydrophobicContact CE3-CG 4.23Å; W312-Y359 HydrophobicContact CG-CD1 4.03Å; W312-Y359 AromaticContact CG-CE1 3.79Å; W312-Y359 HydrophobicContact CG-CE1 3.79Å; W312-Y359 HydrophobicContact CH2-CD1 4.11Å; W312-Y359 WeakPolarHBondContact CH2-O 3.42Å; W312-Y359 HydrophobicContact CZ2-CD1 4.25Å; W312-Y359 AromaticContact CZ3-CD1 3.68Å; W312-Y359 HydrophobicContact CZ3-CD1 3.68Å; W312-Y359 HydrophobicContact CZ3-CG 4.31Å; V329-Y359 HydrophobicContact CB-CD2 4.41Å; V329-Y359 HydrophobicContact CG1-CD1 4.31Å; V329-Y359 HydrophobicContact CG1-CD2 3.55Å; V329-Y359 HydrophobicContact CG1-CE2 3.78Å; V329-Y359 HydrophobicContact CG1-CG 3.81Å; V329-Y359 HydrophobicContact CG2-CD2 4.04Å; V329-Y359 HydrophobicContact CG2-CG 4.15Å; V355-Y359 HydrophobicContact CG1-CD2 3.92Å; V355-Y359 HydrophobicContact CG1-CE2 4.05Å; V355-Y359 WeakPolarHBondContact O-CD2 3.24Å; V355-Y359 PolarHBondContact O-N 2.88Å; W356-Y359 PolarHBondContact O-N 3.35Å; K357-Y359 PolarHBondContact O-N 2.73Å; Y359-T361 PolarHBondContact O-N 3.3Å; Y359-A362 WeakPolarHBondContact O-CB 3.27Å; Y359-A362 PolarHBondContact O-N 3.11Å; Y359-A362 VanDerWaalsContact O-N 3.14Å; Y359-A363 PolarHBondContact O-N 3.36Å
360	R	97.4	Very high	96.8	Very high	47 Å²	47	38.4 Å²	38.4	18%	0.177	22%	0.219	C	C	.	.	H	α-helix	trans	-67.2	-38.4	-177.2	-179.5	56.5	-171.4	93.1	-1.7	112.2	V314 W356 K357 A362 C376	V314-R360 HydrophobicContact CG2-CB 4.01Å; W356-R360 HydrophobicContact CD2-CB 4.45Å; W356-R360 HydrophobicContact CZ2-CB 4.4Å; W356-R360 HydrophobicContact CZ2-CG 3.99Å; W356-R360 WeakPolarHBondContact O-CA 3.23Å; W356-R360 WeakPolarHBondContact O-CB 3.23Å; W356-R360 PolarHBondContact O-N 3.28Å; K357-R360 PolarHBondContact O-N 3.08Å; R360-A362 VanDerWaalsContact C-N 3.27Å; R360-C376 VanDerWaalsContact NH1-C 3.3Å; R360-C376 PolarHBondContact NH1-OXT 3.23Å; R360-C376 PolarHBondContact NH2-O 2.94Å; R360-C376 PolarHBondContact NH2-OXT 2.76Å
361	T	96.6	Very high	96.5	Very high	74 Å²	74	40.5 Å²	40.5	45%	0.454	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-17.4	175	58.2	0	0	0	0	112.8	K357 Y359	K357-T361 HydrophobicContact CG-CG2 4.41Å; K357-T361 WeakPolarHBondContact O-CG2 3.3Å; K357-T361 PolarHBondContact O-N 3.32Å; K357-T361 PolarHBondContact O-OG1 2.99Å; Y359-T361 PolarHBondContact O-N 3.3Å
362	A	98.2	Very high	96.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-34.5	177	0	0	0	0	0	112	I295 N296 P297 W312 Y359 R360 L364	I295-A362 CarbonylContact C-O 3.51Å; I295-A362 WeakPolarHBondContact CA-O 3.46Å; I295-A362 HydrophobicContact CG2-CB 4.08Å; I295-A362 VanDerWaalsContact CG2-O 3.31Å; I295-A362 WeakPolarHBondContact CG2-O 3.3Å; N296-A362 PolarHBondContact N-O 3.49Å; P297-A362 HydrophobicContact CB-CB 4.02Å; W312-A362 HydrophobicContact CH2-CB 4.44Å; Y359-A362 WeakPolarHBondContact O-CB 3.27Å; Y359-A362 PolarHBondContact O-N 3.11Å; Y359-A362 VanDerWaalsContact O-N 3.14Å; R360-A362 VanDerWaalsContact C-N 3.27Å; A362-L364 PolarHBondContact O-N 2.86Å
363	A	98.3	Very high	96.6	Very high	2 Å²	2	48.5 Å²	48.5	2%	0.017	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	117	176.4	0	0	0	0	0	110.6	L268 I292 W312 Y359 C376	L268-A363 HydrophobicContact CD1-CB 3.75Å; I292-A363 HydrophobicContact CD1-CB 3.76Å; I292-A363 HydrophobicContact CG1-CB 4.09Å; I292-A363 HydrophobicContact CG2-CB 4.34Å; W312-A363 HydrophobicContact CH2-CB 4.15Å; Y359-A363 PolarHBondContact O-N 3.36Å; A363-C376 HydrophobicContact CB-CB 4.22Å
364	L	98.2	Very high	96.7	Very high	49 Å²	49	48.9 Å²	48.9	26%	0.257	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-50.1	-176.9	-57.1	-177.1	0	0	0	112.4	S294 N296 T302 A362 Q375 C376	S294-L364 PolarHBondContact O-N 3.4Å; N296-L364 HydrophobicContact CB-CD1 3.73Å; N296-L364 HydrophobicContact CB-CD2 4.43Å; N296-L364 HydrophobicContact CB-CG 4.23Å; T302-L364 HydrophobicContact CG2-CD1 3.85Å; A362-L364 PolarHBondContact O-N 2.86Å; L364-Q375 WeakPolarHBondContact O-CA 3.27Å; L364-Q375 PolarHBondContact O-OE1 3.29Å; L364-C376 PolarHBondContact O-N 3Å
365	E	98.4	Very high	96.7	Very high	75 Å²	75	53 Å²	53	35%	0.35	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	143.6	-177.9	-61.6	-176	150.7	0	0	110.7	K293 S294 M373 I374 Q375	K293-E365 PolarHBondContact N-O 3.3Å; S294-E365 PolarHBondContact N-O 2.93Å; S294-E365 PolarHBondContact O-N 3.49Å; E365-M373 HydrophobicContact CB-CE 3.82Å; E365-I374 VanDerWaalsContact CA-O 3.32Å; E365-I374 WeakPolarHBondContact CA-O 3.48Å; E365-Q375 PolarHBondContact OE1-NE2 3.42Å
366	C	98.2	Very high	96.4	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.007	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	161.2	178.9	26.2	0	0	0	0	110.8	L268 L290 D291 I374 C376	L268-C366 HydrophobicContact CD2-CB 4.28Å; L290-C366 HydrophobicContact CB-CB 4.27Å; D291-C366 CarbonylContact O-C 3.32Å; D291-C366 WeakPolarHBondContact O-CA 3.16Å; D291-C366 WeakPolarHBondContact O-CB 3.4Å; C366-I374 PolarHBondContact N-O 3.16Å; C366-I374 WeakPolarHBondContact O-CG1 3.44Å; C366-I374 PolarHBondContact O-N 2.66Å; C366-C376 VanDerWaalsContact CA-SG 3.56Å; C366-C376 WeakPolarHBondContact CB-SG 2.97Å; C366-C376 PolarHBondContact N-SG 3.38Å; C366-C376 WeakPolarHBondContact SG-CA 3.46Å; C366-C376 WeakPolarHBondContact SG-CB 3.46Å; C366-C376 CovalentContact SG-SG 2.05Å; C366-C376 PolarHBondContact SG-SG 3.3Å
367	E	97.8	Very high	96.4	Very high	40 Å²	40	55.3 Å²	55.3	19%	0.187	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	124.7	169.7	-175.5	178.2	107.4	0	0	109.8	S281 D291 K293	S281-E367 WeakPolarHBondContact CB-O 3.06Å; S281-E367 PolarHBondContact OG-O 3.15Å; S281-E367 VanDerWaalsContact OG-O 3.04Å; D291-E367 PolarHBondContact O-N 3.46Å; K293-E367 WeakPolarHBondContact CE-OE2 3.28Å; K293-E367 HydrophobicContact CG-CB 4.44Å; K293-E367 IonicContact NZ-OE2 2.73Å; K293-E367 PolarHBondContact NZ-OE2 3.14Å
368	A	96.6	Very high	96.4	Very high	20 Å²	20	51.1 Å²	51.1	17%	0.165	30%	0.298	C	S	.	.			trans	-71.5	159.8	169.5	0	0	0	0	0	109.9	G370 G371 E372 I374	A368-G370 PolarHBondContact O-N 3.29Å; A368-G371 WeakPolarHBondContact O-CA 3.03Å; A368-G371 PolarHBondContact O-N 3.06Å; A368-E372 WeakPolarHBondContact CB-O 3.31Å; A368-E372 PolarHBondContact N-O 2.94Å; A368-I374 HydrophobicContact CB-CD1 3.99Å; A368-I374 HydrophobicContact CB-CG1 4.21Å; A368-I374 HydrophobicContact CB-CG2 4.15Å
369	C	93.9	Very high	96.3	Very high	50 Å²	50	53.5 Å²	53.5	34%	0.338	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-11.1	177.3	-60.6	0	0	0	0	114.7	C283 L290 G371	C283-C369 HydrophobicContact CB-CB 3.68Å; C283-C369 WeakPolarHBondContact CB-SG 3.33Å; C283-C369 PolarHBondContact N-SG 2.02Å; C283-C369 WeakPolarHBondContact SG-CB 3.04Å; C283-C369 CovalentContact SG-SG 2.02Å; C283-C369 PolarHBondContact SG-SG 3.22Å; L290-C369 VanDerWaalsContact CD2-SG 3.57Å; C369-G371 VanDerWaalsContact C-N 3.33Å
370	G	91.1	Very high	96.2	Very high	73 Å²	73	56.6 Å²	56.6	75%	0.753	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	0.8	169.3	0	0	0	0	0	114.4	A368 E372	A368-G370 PolarHBondContact O-N 3.29Å; G370-E372 VanDerWaalsContact C-N 3.29Å
371	G	91	Very high	96.1	Very high	48 Å²	48	57.2 Å²	57.2	50%	0.495	34%	0.339	S	S	.	.	S	Bend	trans	83.3	-2.6	-175.5	0	0	0	0	0	114.7	A368 C369	A368-G371 WeakPolarHBondContact O-CA 3.03Å; A368-G371 PolarHBondContact O-N 3.06Å; C369-G371 VanDerWaalsContact C-N 3.33Å
372	E	95.9	Very high	96	Very high	140 Å²	140	56.1 Å²	56.1	65%	0.654	33%	0.332	S	S	*	.			trans	-77.8	141.9	179.1	-65.3	178.5	179.3	0	0	111.6	A368 G370	A368-E372 WeakPolarHBondContact CB-O 3.31Å; A368-E372 PolarHBondContact N-O 2.94Å; G370-E372 VanDerWaalsContact C-N 3.29Å
373	M	97	Very high	95.9	Very high	101 Å²	101	60.1 Å²	60.1	50%	0.498	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	126.4	170.3	-69.2	-65.2	-56.9	0	0	110.2	K293 E365	K293-M373 HydrophobicContact CB-CE 3.46Å; K293-M373 VanDerWaalsContact CB-CE 3.46Å; K293-M373 HydrophobicContact CB-SD 4.13Å; K293-M373 HydrophobicContact CD-SD 4.49Å; K293-M373 HydrophobicContact CG-CE 3.69Å; K293-M373 HydrophobicContact CG-SD 3.69Å; E365-M373 HydrophobicContact CB-CE 3.82Å
374	I	97.4	Very high	95.7	Very high	66 Å²	66	64.5 Å²	64.5	34%	0.338	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	160.5	177.5	61.6	166.8	0	0	0	110.9	L290 E365 C366 A368	L290-I374 HydrophobicContact CD1-CD1 4.49Å; E365-I374 VanDerWaalsContact CA-O 3.32Å; E365-I374 WeakPolarHBondContact CA-O 3.48Å; C366-I374 PolarHBondContact N-O 3.16Å; C366-I374 WeakPolarHBondContact O-CG1 3.44Å; C366-I374 PolarHBondContact O-N 2.66Å; A368-I374 HydrophobicContact CB-CD1 3.99Å; A368-I374 HydrophobicContact CB-CG1 4.21Å; A368-I374 HydrophobicContact CB-CG2 4.15Å
375	Q	96.9	Very high	95.5	Very high	131 Å²	131	65.8 Å²	65.8	61%	0.612	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	135.1	165.9	-67	-66.1	-56.3	0	0	109.4	L364 E365	L364-Q375 WeakPolarHBondContact O-CA 3.27Å; L364-Q375 PolarHBondContact O-OE1 3.29Å; E365-Q375 PolarHBondContact OE1-NE2 3.42Å
376	C	91.9	Very high	95.2	Very high	45 Å²	45	65 Å²	65	30%	0.304	40%	0.396	S	S	.	.			trans	-81.5	0	165.8	-51.3	0	0	0	0	108.4	L268 R360 A363 L364 C366	L268-C376 HydrophobicContact CD1-CB 3.68Å; L268-C376 HydrophobicContact CD2-CB 4.2Å; R360-C376 VanDerWaalsContact NH1-C 3.3Å; R360-C376 PolarHBondContact NH1-OXT 3.23Å; R360-C376 PolarHBondContact NH2-O 2.94Å; R360-C376 PolarHBondContact NH2-OXT 2.76Å; A363-C376 HydrophobicContact CB-CB 4.22Å; L364-C376 PolarHBondContact O-N 3Å; C366-C376 VanDerWaalsContact CA-SG 3.56Å; C366-C376 WeakPolarHBondContact CB-SG 2.97Å; C366-C376 PolarHBondContact N-SG 3.38Å; C366-C376 WeakPolarHBondContact SG-CA 3.46Å; C366-C376 WeakPolarHBondContact SG-CB 3.46Å; C366-C376 CovalentContact SG-SG 2.05Å; C366-C376 PolarHBondContact SG-SG 3.3Å

Retrieved 376 of 376 residues in 646.8 ms (Link to these results)

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