A0A3Q0KBU5_SCHMA Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A3Q0KBU5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 597 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.5	Very low	55.2	Low	128 Å²	128	40.5 Å²	40.5	63%	0.631	21%	0.214	S	C	*	.				0	131.7	0	-92.3	176.4	155.8	0	0	108.1	Q6 V435	M1-Q6 HydrophobicContact CB-CG 4.48Å; M1-V435 HydrophobicContact CE-CB 3.81Å; M1-V435 WeakPolarHBondContact CE-O 3.01Å; M1-V435 HydrophobicContact SD-CB 4.47Å
2	S	59.5	Low	54.3	Low	17 Å²	17	40.6 Å²	40.6	12%	0.119	22%	0.215	C	C	.	.			trans	-61.5	154.6	172	66.8	0	0	0	0	110	F4 S5 Q6	S2-F4 PolarHBondContact O-N 2.87Å; S2-S5 PolarHBondContact O-N 2.94Å; S2-S5 PolarHBondContact OG-N 3.45Å; S2-S5 PolarHBondContact OG-OG 3.48Å; S2-Q6 PolarHBondContact O-N 3.35Å
3	R	65.1	Low	53	Low	57 Å²	57	44.7 Å²	44.7	22%	0.215	24%	0.236	C	C	.	.	H	α-helix	trans	-54.1	-38.9	174	174.9	-176	177.3	154.8	11.8	110.5	S5 Q6 L7 H228 E235 E239 Y243	R3-S5 PolarHBondContact O-N 2.99Å; R3-Q6 WeakPolarHBondContact O-CB 2.79Å; R3-Q6 PolarHBondContact O-N 3.5Å; R3-Q6 VanDerWaalsContact O-N 3.1Å; R3-L7 HydrophobicContact CG-CD1 3.86Å; R3-L7 WeakPolarHBondContact O-CG 3.34Å; R3-L7 PolarHBondContact O-N 3.18Å; R3-H228 PolarHBondContact NH1-O 2.96Å; R3-E235 WeakPolarHBondContact CB-OE2 3.47Å; R3-E239 IonicContact CZ-OE1 2.67Å; R3-E239 VanDerWaalsContact NE-CD 3.34Å; R3-E239 IonicContact NE-OE1 3.3Å; R3-E239 PolarHBondContact NE-OE1 3.1Å; R3-E239 IonicContact NE-OE2 2.72Å; R3-E239 PolarHBondContact NE-OE2 3.47Å; R3-E239 IonicContact NH2-OE1 3.27Å; R3-E239 PolarHBondContact NH2-OE1 3.03Å; R3-Y243 VanDerWaalsContact NH2-CZ 3.28Å; R3-Y243 PolarHBondContact NH2-OH 3.35Å
4	F	64.8	Low	52.2	Low	1 Å²	1	43.9 Å²	43.9	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-56.6	-45	172.7	-173.5	-152.8	0	0	0	114.3	S2 Q6 L7 A8 D236 F406 V483	S2-F4 PolarHBondContact O-N 2.87Å; F4-Q6 VanDerWaalsContact C-N 3.27Å; F4-Q6 PolarHBondContact O-N 3.41Å; F4-L7 PolarHBondContact O-N 3.35Å; F4-A8 VanDerWaalsContact O-CB 3.3Å; F4-A8 WeakPolarHBondContact O-CB 3.47Å; F4-A8 PolarHBondContact O-N 2.81Å; F4-D236 HydrophobicContact CD2-CB 3.35Å; F4-D236 HydrophobicContact CE2-CB 3.46Å; F4-D236 VanDerWaalsContact CE2-CB 3.46Å; F4-D236 VanDerWaalsContact CE2-OD2 3.29Å; F4-D236 WeakPolarHBondContact CE2-OD2 3.37Å; F4-D236 HydrophobicContact CG-CB 4.09Å; F4-D236 HydrophobicContact CZ-CB 4.29Å; F4-F406 HydrophobicContact CE1-CE2 4.4Å; F4-F406 HydrophobicContact CE1-CZ 4.31Å; F4-F406 HydrophobicContact CE2-CD2 4.01Å; F4-F406 HydrophobicContact CE2-CE2 4.29Å; F4-F406 HydrophobicContact CE2-CG 4.47Å; F4-F406 HydrophobicContact CZ-CD1 4.42Å; F4-F406 AromaticContact CZ-CD2 3.6Å; F4-F406 HydrophobicContact CZ-CD2 3.6Å; F4-F406 HydrophobicContact CZ-CE1 4.28Å; F4-F406 AromaticContact CZ-CE2 3.48Å; F4-F406 HydrophobicContact CZ-CE2 3.48Å; F4-F406 VanDerWaalsContact CZ-CE2 3.48Å; F4-F406 HydrophobicContact CZ-CG 4.07Å; F4-F406 AromaticContact CZ-CZ 3.82Å; F4-F406 HydrophobicContact CZ-CZ 3.82Å; F4-V483 HydrophobicContact CD1-CB 3.38Å; F4-V483 HydrophobicContact CD1-CG1 3.84Å; F4-V483 WeakPolarHBondContact CD1-O 3.27Å; F4-V483 HydrophobicContact CD2-CG1 4.44Å; F4-V483 VanDerWaalsContact CE1-CA 3.47Å; F4-V483 HydrophobicContact CE1-CB 3.34Å; F4-V483 HydrophobicContact CE1-CG1 3.39Å; F4-V483 WeakPolarHBondContact CE1-O 3.17Å; F4-V483 HydrophobicContact CE2-CG1 4.09Å; F4-V483 HydrophobicContact CG-CB 4.09Å; F4-V483 HydrophobicContact CG-CG1 4.35Å; F4-V483 HydrophobicContact CZ-CB 4.05Å; F4-V483 HydrophobicContact CZ-CG1 3.56Å
5	S	59	Low	51.2	Low	2 Å²	2	46.1 Å²	46.1	1%	0.014	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-33.9	176.1	-65.1	0	0	0	0	112.5	S2 R3 G9 I437 V483 E484	S2-S5 PolarHBondContact O-N 2.94Å; S2-S5 PolarHBondContact OG-N 3.45Å; S2-S5 PolarHBondContact OG-OG 3.48Å; R3-S5 PolarHBondContact O-N 2.99Å; S5-G9 PolarHBondContact O-N 3.1Å; S5-I437 WeakPolarHBondContact O-CG1 3.47Å; S5-V483 WeakPolarHBondContact OG-CG2 3.41Å; S5-E484 PolarHBondContact OG-OE1 3.31Å
6	Q	59.6	Low	49.9	Very low	123 Å²	123	49.3 Å²	49.3	58%	0.575	25%	0.251	S	S	*	.	H	α-helix	trans	-68.5	-45.3	177.1	-60.3	176.7	16.3	0	0	111	M1 S2 R3 F4 G9 S10	M1-Q6 HydrophobicContact CB-CG 4.48Å; S2-Q6 PolarHBondContact O-N 3.35Å; R3-Q6 WeakPolarHBondContact O-CB 2.79Å; R3-Q6 PolarHBondContact O-N 3.5Å; R3-Q6 VanDerWaalsContact O-N 3.1Å; F4-Q6 VanDerWaalsContact C-N 3.27Å; F4-Q6 PolarHBondContact O-N 3.41Å; Q6-G9 WeakPolarHBondContact O-CA 3.48Å; Q6-G9 PolarHBondContact O-N 2.81Å; Q6-S10 PolarHBondContact O-N 3Å; Q6-S10 VanDerWaalsContact O-N 3.08Å
7	L	57.9	Low	48.9	Very low	38 Å²	38	53 Å²	53	20%	0.199	27%	0.265	C	S	.	.	H	α-helix	trans	-74.7	-40.4	-177	-68.2	166	0	0	0	113	R3 F4 G9 S10 L13 E239	R3-L7 HydrophobicContact CG-CD1 3.86Å; R3-L7 WeakPolarHBondContact O-CG 3.34Å; R3-L7 PolarHBondContact O-N 3.18Å; F4-L7 PolarHBondContact O-N 3.35Å; L7-G9 PolarHBondContact O-N 2.63Å; L7-S10 CarbonylContact O-C 3.57Å; L7-S10 VanDerWaalsContact O-CA 3.3Å; L7-S10 WeakPolarHBondContact O-CA 3.45Å; L7-S10 WeakPolarHBondContact O-CB 3.4Å; L7-S10 PolarHBondContact O-N 3.32Å; L7-L13 HydrophobicContact CD2-CD1 4.44Å; L7-L13 HydrophobicContact CD2-CD2 4.23Å; L7-E239 HydrophobicContact CD1-CG 4.34Å; L7-E239 WeakPolarHBondContact CD1-OE1 3.12Å; L7-E239 WeakPolarHBondContact CD1-OE2 3.26Å
8	A	54.2	Low	48	Very low	11 Å²	11	51.8 Å²	51.8	9%	0.091	26%	0.257	C	S	.	.	H	α-helix	trans	-62.4	-25	170.3	0	0	0	0	0	111.9	F4 F406 I437 V483	F4-A8 VanDerWaalsContact O-CB 3.3Å; F4-A8 WeakPolarHBondContact O-CB 3.47Å; F4-A8 PolarHBondContact O-N 2.81Å; A8-F406 HydrophobicContact CB-CB 3.79Å; A8-I437 HydrophobicContact CB-CB 4.41Å; A8-I437 HydrophobicContact CB-CD1 4.17Å; A8-I437 HydrophobicContact CB-CG1 4.08Å; A8-I437 HydrophobicContact CB-CG2 3.5Å; A8-I437 VanDerWaalsContact CB-CG2 3.5Å; A8-V483 HydrophobicContact CB-CG1 4.17Å
9	G	45.3	Very low	47.1	Very low	8 Å²	8	53.7 Å²	53.7	8%	0.082	27%	0.268	C	S	.	.	H	α-helix	trans	-69.8	-32.8	169.6	0	0	0	0	0	113.4	S5 Q6 L7 S11 N408 K411	S5-G9 PolarHBondContact O-N 3.1Å; Q6-G9 WeakPolarHBondContact O-CA 3.48Å; Q6-G9 PolarHBondContact O-N 2.81Å; L7-G9 PolarHBondContact O-N 2.63Å; G9-S11 PolarHBondContact O-N 3.09Å; G9-N408 PolarHBondContact O-ND2 3.49Å; G9-K411 WeakPolarHBondContact O-CE 3.31Å; G9-K411 PolarHBondContact O-NZ 2.73Å
10	S	51.7	Low	46.2	Very low	21 Å²	21	57.4 Å²	57.4	15%	0.147	29%	0.288	C	S	.	.			trans	-87.5	79.3	171.1	-157	0	0	0	0	109.5	Q6 L7 D12 Q16	Q6-S10 PolarHBondContact O-N 3Å; Q6-S10 VanDerWaalsContact O-N 3.08Å; L7-S10 CarbonylContact O-C 3.57Å; L7-S10 VanDerWaalsContact O-CA 3.3Å; L7-S10 WeakPolarHBondContact O-CA 3.45Å; L7-S10 WeakPolarHBondContact O-CB 3.4Å; L7-S10 PolarHBondContact O-N 3.32Å; S10-D12 PolarHBondContact O-N 3.02Å; S10-Q16 VanDerWaalsContact OG-CD 3.28Å; S10-Q16 PolarHBondContact OG-NE2 3.06Å; S10-Q16 PolarHBondContact OG-OE1 3.23Å
11	S	41.6	Very low	45.6	Very low	40 Å²	40	58.3 Å²	58.3	28%	0.28	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	1.8	174.6	45	0	0	0	0	115.8	G9 K404 K411	G9-S11 PolarHBondContact O-N 3.09Å; S11-K404 PolarHBondContact O-NZ 3.17Å; S11-K411 PolarHBondContact OG-NZ 3.49Å
12	D	44.4	Very low	44.8	Very low	41 Å²	41	54.3 Å²	54.3	22%	0.219	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.4	42.2	-160.8	-68.6	-54.5	0	0	0	111.8	S10 Q14 K15 Q16	S10-D12 PolarHBondContact O-N 3.02Å; D12-Q14 PolarHBondContact O-N 3.17Å; D12-K15 HydrophobicContact CB-CB 3.85Å; D12-K15 HydrophobicContact CB-CG 4.23Å; D12-K15 PolarHBondContact O-N 3.38Å; D12-K15 VanDerWaalsContact O-N 3.14Å; D12-K15 WeakPolarHBondContact OD1-CD 3.41Å; D12-K15 WeakPolarHBondContact OD1-CE 3.49Å; D12-K15 VanDerWaalsContact OD1-CG 3.24Å; D12-K15 WeakPolarHBondContact OD1-CG 3.47Å; D12-Q16 HydrophobicContact CB-CG 4.27Å; D12-Q16 VanDerWaalsContact O-CB 3.23Å; D12-Q16 WeakPolarHBondContact O-CB 3.19Å; D12-Q16 WeakPolarHBondContact O-CG 3.44Å; D12-Q16 PolarHBondContact O-N 3.14Å
13	L	37.1	Very low	43.5	Very low	94 Å²	94	59 Å²	59	49%	0.492	30%	0.303	S	S	.	.	H	α-helix	trans	-58.4	-35.1	168.4	-83.8	170.3	0	0	0	111.8	L7	L7-L13 HydrophobicContact CD2-CD1 4.44Å; L7-L13 HydrophobicContact CD2-CD2 4.23Å
14	Q	42.6	Very low	42.1	Very low	34 Å²	34	60.1 Å²	60.1	16%	0.159	32%	0.32	C	S	.	.	H	α-helix	trans	-66.7	-59.2	167.1	-150.2	102.9	40.7	0	0	109.3	D12 Q16 F17 W18 H349	D12-Q14 PolarHBondContact O-N 3.17Å; Q14-Q16 PolarHBondContact O-N 3.24Å; Q14-F17 PolarHBondContact O-N 3.35Å; Q14-W18 HydrophobicContact CG-CZ2 4.17Å; Q14-W18 PolarHBondContact O-N 3.37Å; Q14-W18 PolarHBondContact O-NE1 2.78Å; Q14-H349 PolarHBondContact OE1-CD2 3.29Å; Q14-H349 VanDerWaalsContact OE1-CD2 3.24Å
15	K	37	Very low	40.9	Very low	77 Å²	77	64.4 Å²	64.4	34%	0.335	34%	0.34	S	S	.	.	H	α-helix	trans	-68.6	-28.8	-170.9	-43	-170.1	-173.6	-162.2	0	115.8	D12 F17 W18 D19 E371	D12-K15 HydrophobicContact CB-CB 3.85Å; D12-K15 HydrophobicContact CB-CG 4.23Å; D12-K15 PolarHBondContact O-N 3.38Å; D12-K15 VanDerWaalsContact O-N 3.14Å; D12-K15 WeakPolarHBondContact OD1-CD 3.41Å; D12-K15 WeakPolarHBondContact OD1-CE 3.49Å; D12-K15 VanDerWaalsContact OD1-CG 3.24Å; D12-K15 WeakPolarHBondContact OD1-CG 3.47Å; K15-F17 VanDerWaalsContact C-N 3.33Å; K15-F17 PolarHBondContact O-N 3.36Å; K15-W18 CarbonylContact O-C 2.95Å; K15-W18 WeakPolarHBondContact O-CA 3.47Å; K15-W18 WeakPolarHBondContact O-CB 3.28Å; K15-W18 PolarHBondContact O-N 3.39Å; K15-D19 PolarHBondContact O-N 3.12Å; K15-E371 IonicContact NZ-OE1 2.71Å; K15-E371 PolarHBondContact NZ-OE1 3.13Å
16	Q	30.9	Very low	39.8	Very low	97 Å²	97	67.3 Å²	67.3	45%	0.453	36%	0.355	S	S	.	.	H	α-helix	trans	-66.1	-37	175	-75.8	-175	-32.9	0	0	111.2	S10 D12 Q14 W18 L20	S10-Q16 VanDerWaalsContact OG-CD 3.28Å; S10-Q16 PolarHBondContact OG-NE2 3.06Å; S10-Q16 PolarHBondContact OG-OE1 3.23Å; D12-Q16 HydrophobicContact CB-CG 4.27Å; D12-Q16 VanDerWaalsContact O-CB 3.23Å; D12-Q16 WeakPolarHBondContact O-CB 3.19Å; D12-Q16 WeakPolarHBondContact O-CG 3.44Å; D12-Q16 PolarHBondContact O-N 3.14Å; Q14-Q16 PolarHBondContact O-N 3.24Å; Q16-W18 PolarHBondContact O-N 3.35Å; Q16-L20 WeakPolarHBondContact O-CB 3.29Å; Q16-L20 VanDerWaalsContact O-CD1 3.25Å; Q16-L20 WeakPolarHBondContact O-CD1 3.38Å; Q16-L20 PolarHBondContact O-N 2.92Å
17	F	31.9	Very low	38.3	Very low	112 Å²	112	70.5 Å²	70.5	49%	0.491	37%	0.37	S	S	.	.	H	α-helix	trans	-66.2	-28.2	171.7	-149.8	-96.6	0	0	0	111.5	Q14 K15 K21	Q14-F17 PolarHBondContact O-N 3.35Å; K15-F17 VanDerWaalsContact C-N 3.33Å; K15-F17 PolarHBondContact O-N 3.36Å; F17-K21 HydrophobicContact CE1-CD 4.38Å
18	W	33.8	Very low	37.1	Very low	31 Å²	31	77 Å²	77	12%	0.117	40%	0.399	C	S	.	.	H	α-helix	trans	-83.8	-33.4	-174.8	-65.4	37.9	0	0	0	112.5	Q14 K15 Q16 L311 T313 E343 S390	Q14-W18 HydrophobicContact CG-CZ2 4.17Å; Q14-W18 PolarHBondContact O-N 3.37Å; Q14-W18 PolarHBondContact O-NE1 2.78Å; K15-W18 CarbonylContact O-C 2.95Å; K15-W18 WeakPolarHBondContact O-CA 3.47Å; K15-W18 WeakPolarHBondContact O-CB 3.28Å; K15-W18 PolarHBondContact O-N 3.39Å; Q16-W18 PolarHBondContact O-N 3.35Å; W18-L311 HydrophobicContact CZ2-CD1 4.48Å; W18-T313 HydrophobicContact CE3-CG2 4.43Å; W18-T313 HydrophobicContact CH2-CG2 4.46Å; W18-T313 WeakPolarHBondContact CH2-OG1 3.36Å; W18-T313 HydrophobicContact CZ3-CG2 3.61Å; W18-T313 WeakPolarHBondContact CZ3-OG1 3.44Å; W18-E343 VanDerWaalsContact CZ2-OE2 3.23Å; W18-E343 WeakPolarHBondContact CZ2-OE2 3.41Å; W18-E343 PolarHBondContact NE1-OE1 3.04Å; W18-E343 PolarHBondContact NE1-OE2 3.27Å; W18-S390 WeakPolarHBondContact CH2-OG 3.41Å
19	D	29.7	Very low	35.8	Very low	89 Å²	89	79.8 Å²	79.8	48%	0.476	43%	0.428	S	S	.	.	H	α-helix	trans	-83.8	-32.7	178.3	-69.7	-25.1	0	0	0	112.6	K15 T23	K15-D19 PolarHBondContact O-N 3.12Å; D19-T23 PolarHBondContact O-N 3.25Å; D19-T23 PolarHBondContact O-OG1 2.87Å
20	L	29.7	Very low	35.1	Very low	127 Å²	127	87.1 Å²	87.1	67%	0.665	47%	0.465	S	S	*	.	H	α-helix	trans	-70.7	-33.2	179	-92.6	130.5	0	0	0	113.4	Q16 T23	Q16-L20 WeakPolarHBondContact O-CB 3.29Å; Q16-L20 VanDerWaalsContact O-CD1 3.25Å; Q16-L20 WeakPolarHBondContact O-CD1 3.38Å; Q16-L20 PolarHBondContact O-N 2.92Å; L20-T23 PolarHBondContact O-OG1 3.37Å
21	K	33.7	Very low	34	Very low	76 Å²	76	94.9 Å²	94.9	33%	0.33	50%	0.499	S	S	.	.	H	α-helix	trans	-80.5	-29.1	174.8	-91.9	-177.2	176	-178.8	0	113.5	F17 T23 S24 E25 I294	F17-K21 HydrophobicContact CE1-CD 4.38Å; K21-T23 VanDerWaalsContact C-N 3.32Å; K21-T23 PolarHBondContact O-N 3.35Å; K21-S24 PolarHBondContact O-OG 2.95Å; K21-E25 WeakPolarHBondContact O-CG 3.19Å; K21-I294 HydrophobicContact CD-CD1 4.34Å
22	S	32.1	Very low	33.5	Very low	45 Å²	45	100.8 Å²	100.8	32%	0.315	53%	0.528	S	S	.	.	H	α-helix	trans	-75	-20.4	-178.8	-160.2	0	0	0	0	113.5	Y376	S22-Y376 PolarHBondContact OG-OH 3.42Å
23	T	32.2	Very low	32.6	Very low	114 Å²	114	108.3 Å²	108.3	70%	0.699	56%	0.558	S	S	*	*	H	α-helix	trans	-87.7	-21.8	-178.2	41.8	0	0	0	0	113.9	D19 L20 K21	D19-T23 PolarHBondContact O-N 3.25Å; D19-T23 PolarHBondContact O-OG1 2.87Å; L20-T23 PolarHBondContact O-OG1 3.37Å; K21-T23 VanDerWaalsContact C-N 3.32Å; K21-T23 PolarHBondContact O-N 3.35Å
24	S	34.2	Very low	32.1	Very low	81 Å²	81	109.4 Å²	109.4	57%	0.566	57%	0.573	S	S	*	*	S	Bend	trans	-86.4	-8.3	178.7	49	0	0	0	0	115	K21	K21-S24 PolarHBondContact O-OG 2.95Å
25	E	39.5	Very low	31.3	Very low	92 Å²	92	113 Å²	113	43%	0.43	60%	0.602	S	S	.	*	S	Bend	trans	-117.5	27.8	-160.4	-65.3	-177.8	173.9	0	0	115.4	K21 R292	K21-E25 WeakPolarHBondContact O-CG 3.19Å; E25-R292 IonicContact OE2-CZ 3.04Å; E25-R292 VanDerWaalsContact OE2-CZ 3.25Å; E25-R292 IonicContact OE2-NH1 2.79Å; E25-R292 PolarHBondContact OE2-NH1 3.34Å; E25-R292 IonicContact OE2-NH2 2.76Å; E25-R292 PolarHBondContact OE2-NH2 2.66Å
26	L	36.6	Very low	31	Very low	62 Å²	62	116.3 Å²	116.3	33%	0.325	62%	0.623	S	S	.	*			trans	-116.6	12	175.7	-84	164.4	0	0	0	114.9	H28	L26-H28 PolarHBondContact O-N 2.97Å; L26-H28 VanDerWaalsContact O-N 3.13Å
27	Q	27.5	Very low	30.7	Very low	191 Å²	191	117.4 Å²	117.4	89%	0.893	64%	0.641	S	S	*	*			trans	-72	107.4	170.5	-83.7	-178.1	-22	0	0	110.3	G29	Q27-G29 PolarHBondContact O-N 3.19Å
28	H	32.8	Very low	30.7	Very low	175 Å²	175	119.9 Å²	119.9	81%	0.81	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-61.1	121.9	165.4	-94.8	33.1	0	0	0	109.6	L26	L26-H28 PolarHBondContact O-N 2.97Å; L26-H28 VanDerWaalsContact O-N 3.13Å
29	G	28.6	Very low	30.5	Very low	68 Å²	68	127.6 Å²	127.6	70%	0.701	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-78.7	126.7	158.6	0	0	0	0	0	109.1	Q27 E31	Q27-G29 PolarHBondContact O-N 3.19Å; G29-E31 PolarHBondContact O-N 3.39Å
30	D	29.2	Very low	30.3	Very low	163 Å²	163	133.2 Å²	133.2	87%	0.872	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-55.2	127.9	178.8	-80	-42.6	0	0	0	112.1	N32	D30-N32 PolarHBondContact O-N 3.44Å; D30-N32 VanDerWaalsContact O-N 3.16Å
31	E	28.5	Very low	30.4	Very low	184 Å²	184	132.9 Å²	132.9	86%	0.86	72%	0.721	S	S	*	*			trans	-66.3	106.2	175.8	-67.4	-173.6	157.3	0	0	111.1	G29	G29-E31 PolarHBondContact O-N 3.39Å
32	N	31.4	Very low	30.1	Very low	164 Å²	164	139.3 Å²	139.3	88%	0.877	75%	0.749	S	S	*	*			trans	-97.4	108.7	159.1	-94	-30.6	0	0	0	110.4	D30 C34	D30-N32 PolarHBondContact O-N 3.44Å; D30-N32 VanDerWaalsContact O-N 3.16Å; N32-C34 PolarHBondContact O-N 3.34Å
33	K	25.9	Very low	30.1	Very low	198 Å²	198	140.8 Å²	140.8	86%	0.861	77%	0.771	S	S	*	*			trans	-51.4	120.3	170.4	-75.5	172.5	176.1	170.5	0	110.9
34	C	27.3	Very low	30	Very low	118 Å²	118	147.1 Å²	147.1	80%	0.797	78%	0.782	S	S	*	*			trans	-136.5	103.3	155.9	-140.3	0	0	0	0	110	N32 N36	N32-C34 PolarHBondContact O-N 3.34Å; C34-N36 PolarHBondContact O-N 3.24Å
35	S	25.3	Very low	29.6	Very low	109 Å²	109	153 Å²	153	76%	0.762	80%	0.798	S	S	*	*			trans	-72.4	117.5	174.3	-52.1	0	0	0	0	109.3
36	N	29.5	Very low	29	Very low	147 Å²	147	152.4 Å²	152.4	79%	0.786	82%	0.816	S	S	*	*			trans	-131.7	109	162.5	-92.2	-29.4	0	0	0	111.1	C34 I38	C34-N36 PolarHBondContact O-N 3.24Å; N36-I38 PolarHBondContact O-N 3.02Å
37	S	26.4	Very low	28.6	Very low	119 Å²	119	160 Å²	160	83%	0.832	84%	0.84	S	S	*	*			trans	-70.7	112.9	174.2	-58.9	0	0	0	0	110.3
38	I	30.8	Very low	28.5	Very low	164 Å²	164	157.6 Å²	157.6	84%	0.841	84%	0.838	S	S	*	*			trans	-110.5	120.1	165.5	-63.6	-179.8	0	0	0	109.6	N36	N36-I38 PolarHBondContact O-N 3.02Å
39	K	30.9	Very low	28.5	Very low	193 Å²	193	154.9 Å²	154.9	84%	0.839	83%	0.834	S	S	*	*			trans	-68.6	136	-176	-69.4	173.7	177.2	174.3	0	110.9
40	K	25.3	Very low	28.3	Very low	208 Å²	208	157.2 Å²	157.2	90%	0.904	84%	0.84	S	S	*	*			trans	-52.5	130.9	160.6	-73.9	171.7	174.4	169.8	0	110.3
41	S	31.7	Very low	28.2	Very low	120 Å²	120	155.7 Å²	155.7	84%	0.839	84%	0.84	S	S	*	*			trans	-126.6	130.5	151.2	85.2	0	0	0	0	109.5
42	K	26.6	Very low	28.2	Very low	211 Å²	211	152 Å²	152	92%	0.917	84%	0.835	S	S	*	*			trans	-98.1	144.3	172.9	-78.2	179.4	172.3	177.8	0	108
43	G	31.5	Very low	27.9	Very low	76 Å²	76	150.5 Å²	150.5	78%	0.784	83%	0.832	S	S	*	*			trans	123.6	146.3	163.3	0	0	0	0	0	111.8
44	R	30.1	Very low	28	Very low	247 Å²	247	149.8 Å²	149.8	93%	0.932	83%	0.832	S	S	*	*			cis	-166.9	155.1	-2.8	-164.9	171.9	177.1	165	-2.5	104.9
45	K	27	Very low	27.9	Very low	205 Å²	205	149 Å²	149	89%	0.891	83%	0.828	S	S	*	*			trans	-45.6	146.4	-178.9	-66.4	170.9	171	179.4	0	115.2
46	G	26.4	Very low	28	Very low	78 Å²	78	151.2 Å²	151.2	80%	0.804	83%	0.829	S	S	*	*			trans	108.6	101.7	132.8	0	0	0	0	0	116.6
47	R	29.2	Very low	27.9	Very low	223 Å²	223	152.9 Å²	152.9	84%	0.842	83%	0.832	S	S	*	*			trans	-155.7	106.6	137	-150.4	159.6	76.6	163.1	3.6	111.3
48	T	25.1	Very low	28	Very low	139 Å²	139	150.7 Å²	150.7	85%	0.853	82%	0.817	S	S	*	*			trans	-59.2	126.1	159.3	42	0	0	0	0	109
49	T	31.7	Very low	27.9	Very low	118 Å²	118	149.4 Å²	149.4	72%	0.724	81%	0.807	S	S	*	*			trans	-123.2	113	160.8	43.9	0	0	0	0	107.6	C51	T49-C51 PolarHBondContact O-N 3.08Å
50	S	25	Very low	28	Very low	118 Å²	118	145 Å²	145	83%	0.825	80%	0.798	S	S	*	*			trans	-67.1	113.5	168.5	47.2	0	0	0	0	108.5
51	C	26.8	Very low	28.4	Very low	130 Å²	130	139.9 Å²	139.9	88%	0.878	79%	0.785	S	S	*	*			trans	-91.1	112	165.8	-159	0	0	0	0	107.8	T49	T49-C51 PolarHBondContact O-N 3.08Å
52	S	29	Very low	28.4	Very low	106 Å²	106	138.3 Å²	138.3	74%	0.741	77%	0.767	S	S	*	*			trans	-70.3	135.2	176.5	19	0	0	0	0	111	Q54	S52-Q54 PolarHBondContact O-N 3.23Å
53	T	24.8	Very low	28.8	Very low	133 Å²	133	131.4 Å²	131.4	82%	0.816	74%	0.743	S	S	*	*			trans	-52.5	118.1	175	-28.8	0	0	0	0	112
54	Q	26.7	Very low	29	Very low	184 Å²	184	132 Å²	132	86%	0.86	73%	0.731	S	S	*	*			trans	-103.1	104	152.5	-82.8	-175.4	-2.1	0	0	107.7	S52 I56	S52-Q54 PolarHBondContact O-N 3.23Å; Q54-I56 PolarHBondContact O-N 2.8Å
55	S	26.3	Very low	29.4	Very low	102 Å²	102	124 Å²	124	71%	0.713	71%	0.706	S	S	*	*			trans	-69.8	104.6	169.5	51.5	0	0	0	0	109	Q57	S55-Q57 PolarHBondContact O-N 3.03Å
56	I	27.5	Very low	30.2	Very low	155 Å²	155	120.7 Å²	120.7	80%	0.795	69%	0.692	S	S	*	*			trans	-71.3	107.9	162.7	-62.1	173.9	0	0	0	106.1	Q54 S58	Q54-I56 PolarHBondContact O-N 2.8Å; I56-S58 PolarHBondContact O-N 3.28Å; I56-S58 VanDerWaalsContact O-N 3.08Å
57	Q	27.7	Very low	31	Very low	181 Å²	181	121.8 Å²	121.8	85%	0.846	68%	0.679	S	S	*	*			trans	-65	104	166.4	-78.2	180	-19.5	0	0	107.5	S55	S55-Q57 PolarHBondContact O-N 3.03Å
58	S	27.8	Very low	31.5	Very low	74 Å²	74	115.8 Å²	115.8	52%	0.517	66%	0.664	S	S	.	*			trans	-74.1	135.1	165.6	39.4	0	0	0	0	108.5	I56	I56-S58 PolarHBondContact O-N 3.28Å; I56-S58 VanDerWaalsContact O-N 3.08Å
59	H	28.5	Very low	32.5	Very low	136 Å²	136	113.2 Å²	113.2	63%	0.63	65%	0.648	S	S	*	*			trans	-65.4	149.2	176.5	-80	-76	0	0	0	110.2	T61 D62	H59-T61 PolarHBondContact O-N 3.21Å; H59-D62 PolarHBondContact O-N 3.46Å
60	P	33.9	Very low	33	Very low	101 Å²	101	110 Å²	110	66%	0.656	63%	0.626	S	S	*	*	H	α-helix	trans	-60.5	-16.9	-176.5	9.5	-15.9	0	0	0	114.5	T63	P60-T63 PolarHBondContact O-OG1 3.39Å; P60-T63 VanDerWaalsContact O-OG1 3.1Å
61	T	32.6	Very low	33.9	Very low	101 Å²	101	110.6 Å²	110.6	62%	0.62	61%	0.614	S	S	*	*	H	α-helix	trans	-76.7	-32.2	173.7	11.4	0	0	0	0	113.4	H59 L65	H59-T61 PolarHBondContact O-N 3.21Å; T61-L65 WeakPolarHBondContact O-CG 3.21Å; T61-L65 PolarHBondContact O-N 3.11Å
62	D	32	Very low	35	Very low	87 Å²	87	108 Å²	108	47%	0.465	59%	0.591	S	S	.	*	H	α-helix	trans	-72.8	-30	179.9	-69	-32.1	0	0	0	112.4	H59 K66	H59-D62 PolarHBondContact O-N 3.46Å; D62-K66 VanDerWaalsContact O-CB 3.28Å; D62-K66 WeakPolarHBondContact O-CB 3.29Å; D62-K66 PolarHBondContact O-N 3.45Å
63	T	35.9	Very low	35.8	Very low	66 Å²	66	106 Å²	106	41%	0.405	57%	0.571	S	S	.	*	H	α-helix	trans	-73.9	-30.1	179.8	43.5	0	0	0	0	112.8	P60 N67	P60-T63 PolarHBondContact O-OG1 3.39Å; P60-T63 VanDerWaalsContact O-OG1 3.1Å; T63-N67 PolarHBondContact O-N 2.96Å; T63-N67 PolarHBondContact O-ND2 3.38Å; T63-N67 PolarHBondContact O-OD1 2.69Å
64	V	35.2	Very low	37	Very low	88 Å²	88	108 Å²	108	53%	0.533	57%	0.565	S	S	.	*	H	α-helix	trans	-76.2	-42	174.5	-179.3	0	0	0	0	111	N67 D68	V64-N67 WeakPolarHBondContact O-CB 3.42Å; V64-N67 PolarHBondContact O-N 3.2Å; V64-D68 PolarHBondContact O-N 2.96Å
65	L	38.3	Very low	38.6	Very low	78 Å²	78	103.9 Å²	103.9	41%	0.408	55%	0.548	S	S	.	.	H	α-helix	trans	-63.7	-41.1	177.6	-71.4	168.3	0	0	0	112.7	T61 N67 D68 V69 L159	T61-L65 WeakPolarHBondContact O-CG 3.21Å; T61-L65 PolarHBondContact O-N 3.11Å; L65-N67 VanDerWaalsContact C-N 3.25Å; L65-N67 PolarHBondContact O-N 2.89Å; L65-D68 PolarHBondContact O-N 2.93Å; L65-V69 WeakPolarHBondContact O-CG2 3.02Å; L65-V69 PolarHBondContact O-N 3.06Å; L65-L159 HydrophobicContact CD2-CD1 4.34Å; L65-L159 HydrophobicContact CD2-CD2 3.84Å
66	K	43.1	Very low	40.7	Very low	136 Å²	136	99.4 Å²	99.4	59%	0.591	52%	0.519	S	S	*	.	H	α-helix	trans	-62.5	-36.3	176	-157.8	174.1	-177.2	174.8	0	111.2	D62 D70	D62-K66 VanDerWaalsContact O-CB 3.28Å; D62-K66 WeakPolarHBondContact O-CB 3.29Å; D62-K66 PolarHBondContact O-N 3.45Å; K66-D70 WeakPolarHBondContact CG-OD2 3.49Å; K66-D70 WeakPolarHBondContact O-CA 3.45Å; K66-D70 WeakPolarHBondContact O-CB 3.48Å; K66-D70 PolarHBondContact O-N 2.77Å
67	N	43	Very low	43.3	Very low	101 Å²	101	92.7 Å²	92.7	54%	0.54	48%	0.484	S	S	.	.	H	α-helix	trans	-66.6	-39.4	179.7	-68.8	-22.7	0	0	0	113.4	T63 V64 L65 K71	T63-N67 PolarHBondContact O-N 2.96Å; T63-N67 PolarHBondContact O-ND2 3.38Å; T63-N67 PolarHBondContact O-OD1 2.69Å; V64-N67 WeakPolarHBondContact O-CB 3.42Å; V64-N67 PolarHBondContact O-N 3.2Å; L65-N67 VanDerWaalsContact C-N 3.25Å; L65-N67 PolarHBondContact O-N 2.89Å; N67-K71 WeakPolarHBondContact O-CB 3.28Å; N67-K71 PolarHBondContact O-N 3.37Å
68	D	41.4	Very low	46	Very low	97 Å²	97	86.5 Å²	86.5	52%	0.519	45%	0.454	S	S	.	.	H	α-helix	trans	-76.4	-38	-179.1	-76.7	-26.1	0	0	0	112.2	V64 L65 K71 I72	V64-D68 PolarHBondContact O-N 2.96Å; L65-D68 PolarHBondContact O-N 2.93Å; D68-K71 PolarHBondContact O-N 2.96Å; D68-I72 WeakPolarHBondContact O-CG1 3.43Å; D68-I72 PolarHBondContact O-N 3.42Å; D68-I72 VanDerWaalsContact O-N 3.07Å
69	V	46	Very low	48.8	Very low	86 Å²	86	83.3 Å²	83.3	52%	0.521	43%	0.431	S	S	.	.	H	α-helix	trans	-66.6	-44.3	171.5	-179.2	0	0	0	0	110	L65 K71 I72 I73	L65-V69 WeakPolarHBondContact O-CG2 3.02Å; L65-V69 PolarHBondContact O-N 3.06Å; V69-K71 VanDerWaalsContact C-N 3.26Å; V69-K71 PolarHBondContact O-N 2.89Å; V69-I72 PolarHBondContact O-N 2.99Å; V69-I73 HydrophobicContact CG1-CD1 3.79Å; V69-I73 HydrophobicContact CG1-CG1 4.34Å; V69-I73 WeakPolarHBondContact O-CB 3.07Å; V69-I73 WeakPolarHBondContact O-CD1 3.46Å; V69-I73 WeakPolarHBondContact O-CG1 3.27Å; V69-I73 PolarHBondContact O-N 3.07Å
70	D	42	Very low	51.4	Low	51 Å²	51	79.6 Å²	79.6	27%	0.273	41%	0.414	S	S	.	.	H	α-helix	trans	-61.2	-35.2	174.6	-73.6	-16.1	0	0	0	111.2	K66 I73 Y74	K66-D70 WeakPolarHBondContact CG-OD2 3.49Å; K66-D70 WeakPolarHBondContact O-CA 3.45Å; K66-D70 WeakPolarHBondContact O-CB 3.48Å; K66-D70 PolarHBondContact O-N 2.77Å; D70-I73 CarbonylContact O-C 3.56Å; D70-I73 WeakPolarHBondContact O-CA 3.36Å; D70-I73 VanDerWaalsContact O-CB 3.27Å; D70-I73 WeakPolarHBondContact O-CB 3.18Å; D70-I73 PolarHBondContact O-N 3.18Å; D70-I73 VanDerWaalsContact OD1-CD1 3.29Å; D70-I73 WeakPolarHBondContact OD1-CD1 3.4Å; D70-Y74 HydrophobicContact CB-CD2 4.44Å; D70-Y74 HydrophobicContact CB-CE2 4.45Å; D70-Y74 WeakPolarHBondContact O-CD2 3.4Å; D70-Y74 PolarHBondContact O-N 3.04Å
71	K	43.8	Very low	53.9	Low	130 Å²	130	75.1 Å²	75.1	57%	0.565	38%	0.384	S	S	*	.	H	α-helix	trans	-69	-40.7	176.9	-160.1	176.6	-176.7	-172.1	0	112.6	N67 D68 V69 I73 Y74 D75	N67-K71 WeakPolarHBondContact O-CB 3.28Å; N67-K71 PolarHBondContact O-N 3.37Å; D68-K71 PolarHBondContact O-N 2.96Å; V69-K71 VanDerWaalsContact C-N 3.26Å; V69-K71 PolarHBondContact O-N 2.89Å; K71-I73 VanDerWaalsContact C-N 3.27Å; K71-I73 PolarHBondContact O-N 2.79Å; K71-Y74 PolarHBondContact O-N 3.48Å; K71-D75 WeakPolarHBondContact O-CB 3.34Å; K71-D75 PolarHBondContact O-N 2.78Å
72	I	49.7	Very low	56.7	Low	76 Å²	76	70.4 Å²	70.4	39%	0.39	36%	0.356	S	S	.	.	H	α-helix	trans	-66.6	-31.5	169.7	-63.5	169	0	0	0	111.1	D68 V69 G76 S108	D68-I72 WeakPolarHBondContact O-CG1 3.43Å; D68-I72 PolarHBondContact O-N 3.42Å; D68-I72 VanDerWaalsContact O-N 3.07Å; V69-I72 PolarHBondContact O-N 2.99Å; I72-G76 CarbonylContact O-C 3.52Å; I72-G76 WeakPolarHBondContact O-CA 3.37Å; I72-G76 PolarHBondContact O-N 2.94Å; I72-G76 VanDerWaalsContact O-N 3.11Å; I72-S108 PolarHBondContact O-OG 3.26Å
73	I	45.6	Very low	59.6	Low	62 Å²	62	66.3 Å²	66.3	32%	0.318	33%	0.333	S	S	.	.	H	α-helix	trans	-64.2	-44.7	174.4	-70.4	159.4	0	0	0	110.7	V69 D70 K71 K112	V69-I73 HydrophobicContact CG1-CD1 3.79Å; V69-I73 HydrophobicContact CG1-CG1 4.34Å; V69-I73 WeakPolarHBondContact O-CB 3.07Å; V69-I73 WeakPolarHBondContact O-CD1 3.46Å; V69-I73 WeakPolarHBondContact O-CG1 3.27Å; V69-I73 PolarHBondContact O-N 3.07Å; D70-I73 CarbonylContact O-C 3.56Å; D70-I73 WeakPolarHBondContact O-CA 3.36Å; D70-I73 VanDerWaalsContact O-CB 3.27Å; D70-I73 WeakPolarHBondContact O-CB 3.18Å; D70-I73 PolarHBondContact O-N 3.18Å; D70-I73 VanDerWaalsContact OD1-CD1 3.29Å; D70-I73 WeakPolarHBondContact OD1-CD1 3.4Å; K71-I73 VanDerWaalsContact C-N 3.27Å; K71-I73 PolarHBondContact O-N 2.79Å; I73-K112 VanDerWaalsContact CG1-CE 3.42Å
74	Y	49.9	Very low	62.4	Low	176 Å²	176	63.1 Å²	63.1	69%	0.69	31%	0.314	S	S	*	.	H	α-helix	trans	-80.7	-39.6	-176.1	-80.9	-71.2	0	0	0	113.6	D70 K71	D70-Y74 HydrophobicContact CB-CD2 4.44Å; D70-Y74 HydrophobicContact CB-CE2 4.45Å; D70-Y74 WeakPolarHBondContact O-CD2 3.4Å; D70-Y74 PolarHBondContact O-N 3.04Å; K71-Y74 PolarHBondContact O-N 3.48Å
75	D	60	Low	65.2	Low	97 Å²	97	65.2 Å²	65.2	52%	0.519	31%	0.313	S	S	.	.	H	α-helix	trans	-89.6	-12.3	-176.2	-71.1	-24.2	0	0	0	113	K71	K71-D75 WeakPolarHBondContact O-CB 3.34Å; K71-D75 PolarHBondContact O-N 2.78Å
76	G	70.6	Confident	67.7	Low	9 Å²	9	64.1 Å²	64.1	9%	0.093	31%	0.307	C	S	.	.			trans	75.9	161.8	-174	0	0	0	0	0	112.9	I72 Y78	I72-G76 CarbonylContact O-C 3.52Å; I72-G76 WeakPolarHBondContact O-CA 3.37Å; I72-G76 PolarHBondContact O-N 2.94Å; I72-G76 VanDerWaalsContact O-N 3.11Å; G76-Y78 PolarHBondContact O-N 3.5Å
77	L	82.5	Confident	69.8	Low	13 Å²	13	61 Å²	61	7%	0.068	30%	0.299	C	S	.	.			trans	-88.7	102.5	177.4	-179.1	62.6	0	0	0	109	P104 C107 Y111 I145 V152	L77-P104 PolarHBondContact N-O 3.38Å; L77-P104 WeakPolarHBondContact O-CA 3.06Å; L77-C107 HydrophobicContact CB-CB 3.97Å; L77-C107 HydrophobicContact CD2-CB 4.32Å; L77-C107 HydrophobicContact CG-CB 4.37Å; L77-C107 WeakPolarHBondContact O-CB 3.42Å; L77-Y111 HydrophobicContact CD2-CD2 4.2Å; L77-Y111 HydrophobicContact CD2-CG 4.17Å; L77-I145 HydrophobicContact CD2-CG2 3.63Å; L77-V152 HydrophobicContact CD1-CG2 4.17Å
78	Y	84.7	Confident	71.8	Confident	52 Å²	52	64.6 Å²	64.6	20%	0.204	31%	0.305	C	S	.	.			trans	-70.1	130	173.2	-179.7	-101.4	0	0	0	110.2	G76 P81 N149 N496	G76-Y78 PolarHBondContact O-N 3.5Å; Y78-P81 VanDerWaalsContact OH-CD 3.28Å; Y78-P81 WeakPolarHBondContact OH-CD 3.29Å; Y78-N149 PolarHBondContact O-ND2 3.35Å; Y78-N496 HydrophobicContact CE2-CB 3.95Å
79	I	85.3	Confident	74	Confident	7 Å²	7	61.9 Å²	61.9	4%	0.036	29%	0.291	C	S	.	.			trans	-105.2	130.5	172.9	-58	-172.2	0	0	0	108	L101 C107 I145 L148	I79-L101 HydrophobicContact CD1-CB 4.16Å; I79-L101 HydrophobicContact CD1-CD2 3.7Å; I79-C107 HydrophobicContact CD1-CB 3.98Å; I79-C107 WeakPolarHBondContact CD1-SG 3.39Å; I79-C107 HydrophobicContact CG1-CB 4.27Å; I79-I145 HydrophobicContact CD1-CB 4.31Å; I79-I145 HydrophobicContact CD1-CG1 3.74Å; I79-I145 HydrophobicContact CD1-CG2 4.11Å; I79-L148 HydrophobicContact CG2-CB 3.71Å; I79-L148 HydrophobicContact CG2-CD1 3.74Å; I79-L148 HydrophobicContact CG2-CG 4.28Å
80	E	83.8	Confident	76.2	Confident	58 Å²	58	58.5 Å²	58.5	27%	0.271	27%	0.271	S	S	.	.			trans	-65.9	135.2	177.6	-168.5	164.7	-167.3	0	0	111.3	C82 K214	E80-C82 PolarHBondContact O-N 3.34Å; E80-C82 VanDerWaalsContact O-N 3.14Å; E80-K214 VanDerWaalsContact CD-CD 3.47Å; E80-K214 WeakPolarHBondContact OE1-CD 3.21Å; E80-K214 WeakPolarHBondContact OE1-CE 3.48Å; E80-K214 IonicContact OE1-NZ 2.63Å; E80-K214 PolarHBondContact OE1-NZ 2.87Å; E80-K214 WeakPolarHBondContact OE2-CD 3.38Å; E80-K214 IonicContact OE2-NZ 2.81Å; E80-K214 PolarHBondContact OE2-NZ 2.68Å
81	P	87.3	Confident	78.7	Confident	6 Å²	6	56.1 Å²	56.1	4%	0.039	26%	0.258	C	S	.	.			trans	-50.7	118.8	178.6	-34.5	39.3	0	0	0	113.9	Y78 F211 L213 I509 F511	Y78-P81 VanDerWaalsContact OH-CD 3.28Å; Y78-P81 WeakPolarHBondContact OH-CD 3.29Å; P81-F211 HydrophobicContact CB-CE1 3.61Å; P81-F211 HydrophobicContact CB-CZ 3.86Å; P81-F211 HydrophobicContact CG-CE1 4.3Å; P81-F211 HydrophobicContact CG-CZ 4.03Å; P81-L213 HydrophobicContact CB-CD2 4.39Å; P81-I509 HydrophobicContact CB-CD1 3.88Å; P81-I509 HydrophobicContact CG-CD1 3.44Å; P81-I509 VanDerWaalsContact CG-CD1 3.44Å; P81-F511 HydrophobicContact CB-CE1 4.1Å; P81-F511 HydrophobicContact CB-CZ 3.9Å
82	C	90.8	Very high	81.1	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.02	23%	0.234	C	C	.	.			trans	-120.6	156.9	177.7	64.7	0	0	0	0	112	E80 Q98 L148 H215 F511	E80-C82 PolarHBondContact O-N 3.34Å; E80-C82 VanDerWaalsContact O-N 3.14Å; C82-Q98 PolarHBondContact O-NE2 2.85Å; C82-L148 HydrophobicContact CB-CD2 3.38Å; C82-L148 VanDerWaalsContact SG-CD2 3.56Å; C82-H215 CarbonylContact C-O 3.56Å; C82-H215 WeakPolarHBondContact CA-O 3.25Å; C82-H215 HydrophobicContact CB-CB 4.18Å; C82-F511 WeakPolarHBondContact O-CE1 3.26Å
83	G	92.4	Very high	83.2	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	153.9	170.4	0	0	0	0	0	111.9	H215 I216 I217 D513	G83-H215 PolarHBondContact N-O 2.83Å; G83-I216 WeakPolarHBondContact O-CA 3.2Å; G83-I217 PolarHBondContact O-N 3.23Å; G83-D513 CarbonylContact C-O 3.57Å; G83-D513 WeakPolarHBondContact CA-O 3.35Å
84	F	94.5	Very high	85.5	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.3	171.4	-69.5	-67.5	0	0	0	110.8	N86 N94 L97 Q98 L101 L144 I217 P219 D513 D514	F84-N86 PolarHBondContact O-N 2.72Å; F84-N94 HydrophobicContact CB-CB 3.89Å; F84-N94 VanDerWaalsContact CB-CG 3.47Å; F84-N94 PolarHBondContact O-ND2 2.86Å; F84-L97 HydrophobicContact CE2-CB 4.17Å; F84-L97 HydrophobicContact CZ-CB 4.33Å; F84-Q98 HydrophobicContact CD2-CG 3.72Å; F84-Q98 HydrophobicContact CE2-CG 3.75Å; F84-L101 HydrophobicContact CE2-CD1 4.08Å; F84-L101 HydrophobicContact CZ-CD1 3.57Å; F84-L144 HydrophobicContact CE1-CD1 4.12Å; F84-L144 HydrophobicContact CE1-CD2 4.04Å; F84-L144 HydrophobicContact CZ-CD2 4.04Å; F84-I217 CarbonylContact C-O 3.56Å; F84-I217 VanDerWaalsContact CA-O 3.27Å; F84-I217 WeakPolarHBondContact CA-O 3.44Å; F84-I217 HydrophobicContact CD1-CB 4.1Å; F84-I217 HydrophobicContact CD1-CG2 4.43Å; F84-I217 HydrophobicContact CE1-CB 4.12Å; F84-I217 HydrophobicContact CE1-CG2 4.29Å; F84-P219 HydrophobicContact CB-CG 4.28Å; F84-P219 HydrophobicContact CD1-CG 3.61Å; F84-P219 HydrophobicContact CE1-CG 4.28Å; F84-P219 HydrophobicContact CG-CG 4.17Å; F84-D513 PolarHBondContact N-O 3.17Å; F84-D513 CarbonylContact O-C 3.48Å; F84-D513 WeakPolarHBondContact O-CA 3.44Å; F84-D513 VanDerWaalsContact O-CB 3.25Å; F84-D513 WeakPolarHBondContact O-CB 2.99Å; F84-D514 PolarHBondContact O-N 3.42Å
85	R	93.6	Very high	87.8	Confident	132 Å²	132	36.5 Å²	36.5	50%	0.498	17%	0.172	S	C	.	.			trans	-65.8	133.1	173.3	-64.4	-167	179.2	134.8	-5.4	109.7	V87 N94 I216 I217 T218	R85-V87 HydrophobicContact CB-CG2 4.48Å; R85-V87 PolarHBondContact O-N 3.46Å; R85-N94 PolarHBondContact O-ND2 2.9Å; R85-I216 HydrophobicContact CG-CG2 3.45Å; R85-I216 VanDerWaalsContact CG-CG2 3.45Å; R85-I217 PolarHBondContact N-O 3.17Å; R85-T218 WeakPolarHBondContact CD-OG1 3.49Å
86	N	91.1	Very high	89.5	Confident	54 Å²	54	31.9 Å²	31.9	29%	0.289	15%	0.148	S	C	.	.			trans	-76.1	110.5	171.2	-163	-34.7	0	0	0	109.7	F84 N89 S90 D513	F84-N86 PolarHBondContact O-N 2.72Å; N86-N89 WeakPolarHBondContact OD1-CA 3.25Å; N86-N89 PolarHBondContact OD1-N 3.39Å; N86-S90 PolarHBondContact OD1-N 2.85Å; N86-S90 VanDerWaalsContact OD1-N 3.11Å; N86-D513 HydrophobicContact CB-CB 4.23Å; N86-D513 VanDerWaalsContact CB-OD2 3.25Å; N86-D513 WeakPolarHBondContact CB-OD2 3.23Å; N86-D513 PolarHBondContact ND2-OD2 3.37Å
87	V	88.7	Confident	90.7	Very high	70 Å²	70	31.4 Å²	31.4	42%	0.424	14%	0.143	S	C	.	.			trans	-113	114.5	176.7	-179.7	0	0	0	0	107.8	R85 N89 S90 T218	R85-V87 HydrophobicContact CB-CG2 4.48Å; R85-V87 PolarHBondContact O-N 3.46Å; V87-N89 PolarHBondContact O-N 2.97Å; V87-S90 PolarHBondContact N-OG 3.31Å; V87-S90 WeakPolarHBondContact O-CB 3.44Å; V87-S90 PolarHBondContact O-N 3.14Å; V87-S90 PolarHBondContact O-OG 2.78Å; V87-T218 HydrophobicContact CG2-CG2 3.62Å
88	R	85.1	Confident	91.3	Very high	177 Å²	177	31 Å²	31	67%	0.668	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	53	173.9	-63	-176.3	176.7	-177.9	-0.4	113.2	S90 G232	R88-S90 VanDerWaalsContact C-N 3.33Å; R88-S90 PolarHBondContact O-N 3.39Å; R88-G232 WeakPolarHBondContact O-CA 3.41Å; R88-G232 PolarHBondContact O-N 2.89Å; R88-G232 VanDerWaalsContact O-N 3.11Å
89	N	87.4	Confident	91.9	Very high	41 Å²	41	28.6 Å²	28.6	22%	0.219	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	27.2	179.2	-57.4	-43.3	0	0	0	114.8	N86 V87 C91 F92 G232 Q234 L572	N86-N89 WeakPolarHBondContact OD1-CA 3.25Å; N86-N89 PolarHBondContact OD1-N 3.39Å; V87-N89 PolarHBondContact O-N 2.97Å; N89-C91 PolarHBondContact O-N 3.22Å; N89-C91 VanDerWaalsContact O-N 3.08Å; N89-F92 VanDerWaalsContact O-CD1 3.24Å; N89-F92 WeakPolarHBondContact O-CD1 3.38Å; N89-F92 WeakPolarHBondContact O-CE1 3.36Å; N89-G232 PolarHBondContact ND2-O 2.94Å; N89-Q234 HydrophobicContact CB-CG 4.19Å; N89-L572 WeakPolarHBondContact OD1-CD1 3.37Å
90	S	91.6	Very high	92.4	Very high	14 Å²	14	28.4 Å²	28.4	10%	0.098	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	8.6	-178.1	68.7	0	0	0	0	115.2	N86 V87 R88 F92 L93 N94	N86-S90 PolarHBondContact OD1-N 2.85Å; N86-S90 VanDerWaalsContact OD1-N 3.11Å; V87-S90 PolarHBondContact N-OG 3.31Å; V87-S90 WeakPolarHBondContact O-CB 3.44Å; V87-S90 PolarHBondContact O-N 3.14Å; V87-S90 PolarHBondContact O-OG 2.78Å; R88-S90 VanDerWaalsContact C-N 3.33Å; R88-S90 PolarHBondContact O-N 3.39Å; S90-F92 PolarHBondContact O-N 3.04Å; S90-F92 VanDerWaalsContact O-N 3.13Å; S90-L93 WeakPolarHBondContact O-CA 3.27Å; S90-L93 WeakPolarHBondContact O-CB 3.43Å; S90-L93 PolarHBondContact O-N 2.93Å; S90-N94 PolarHBondContact O-N 2.82Å; S90-N94 PolarHBondContact O-OD1 3.15Å; S90-N94 PolarHBondContact OG-OD1 3.2Å
91	C	93.7	Very high	92.9	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.014	12%	0.119	C	C	.	.	H	α-helix	trans	-54.4	-33	-178.7	59	0	0	0	0	113.7	N89 N94 A95 H487 Y488	N89-C91 PolarHBondContact O-N 3.22Å; N89-C91 VanDerWaalsContact O-N 3.08Å; C91-N94 PolarHBondContact O-N 2.83Å; C91-A95 WeakPolarHBondContact O-CB 3.43Å; C91-A95 PolarHBondContact O-N 2.99Å; C91-H487 WeakPolarHBondContact CB-CE1 3.25Å; C91-H487 VanDerWaalsContact CB-ND1 3.29Å; C91-H487 WeakPolarHBondContact CB-ND1 3.44Å; C91-H487 PolarHBondContact SG-ND1 3.31Å; C91-H487 VanDerWaalsContact SG-ND1 3.45Å; C91-Y488 PolarHBondContact SG-N 3.12Å; C91-Y488 VanDerWaalsContact SG-N 3.44Å
92	F	94	Very high	93.1	Very high	11 Å²	11	26.6 Å²	26.6	5%	0.048	12%	0.123	C	C	.	.	H	α-helix	trans	-61.7	-44.1	174.7	66.5	-91.3	0	0	0	111.6	N89 S90 S96 M229 E235 A237 C240 Y488	N89-F92 VanDerWaalsContact O-CD1 3.24Å; N89-F92 WeakPolarHBondContact O-CD1 3.38Å; N89-F92 WeakPolarHBondContact O-CE1 3.36Å; S90-F92 PolarHBondContact O-N 3.04Å; S90-F92 VanDerWaalsContact O-N 3.13Å; F92-S96 PolarHBondContact O-N 3.42Å; F92-S96 VanDerWaalsContact O-N 3.14Å; F92-S96 PolarHBondContact O-OG 3.13Å; F92-S96 VanDerWaalsContact O-OG 3.09Å; F92-M229 HydrophobicContact CE2-CB 4.43Å; F92-M229 HydrophobicContact CE2-CG 4.31Å; F92-M229 HydrophobicContact CZ-CB 4.42Å; F92-E235 HydrophobicContact CD1-CB 4Å; F92-E235 HydrophobicContact CD2-CB 3.97Å; F92-E235 HydrophobicContact CE1-CB 3.83Å; F92-E235 HydrophobicContact CE1-CG 3.94Å; F92-E235 HydrophobicContact CE2-CB 3.81Å; F92-E235 HydrophobicContact CE2-CG 4.19Å; F92-E235 HydrophobicContact CG-CB 4.08Å; F92-E235 HydrophobicContact CZ-CB 3.74Å; F92-E235 HydrophobicContact CZ-CG 3.72Å; F92-A237 HydrophobicContact CB-CB 4.15Å; F92-C240 HydrophobicContact CD2-CB 3.78Å; F92-C240 HydrophobicContact CE2-CB 4.27Å; F92-Y488 HydrophobicContact CB-CD2 3.56Å; F92-Y488 HydrophobicContact CB-CE2 3.74Å; F92-Y488 HydrophobicContact CB-CG 4.26Å
93	L	94.5	Very high	93.2	Very high	14 Å²	14	26.5 Å²	26.5	7%	0.073	12%	0.122	C	C	.	.	H	α-helix	trans	-69.1	-44.5	176.4	176.2	63.7	0	0	0	110.5	S90 A95 S96 L97 P219 F223 L227	S90-L93 WeakPolarHBondContact O-CA 3.27Å; S90-L93 WeakPolarHBondContact O-CB 3.43Å; S90-L93 PolarHBondContact O-N 2.93Å; L93-A95 VanDerWaalsContact C-N 3.32Å; L93-A95 PolarHBondContact O-N 3.17Å; L93-S96 PolarHBondContact O-N 2.88Å; L93-L97 HydrophobicContact CD1-CD1 4.07Å; L93-L97 HydrophobicContact CD1-CD2 4.4Å; L93-L97 HydrophobicContact CD1-CG 3.93Å; L93-L97 HydrophobicContact CD2-CD1 4.49Å; L93-L97 HydrophobicContact CG-CD1 3.91Å; L93-L97 HydrophobicContact CG-CG 4.21Å; L93-L97 WeakPolarHBondContact O-CB 3.38Å; L93-L97 WeakPolarHBondContact O-CG 3.22Å; L93-L97 PolarHBondContact O-N 3.2Å; L93-P219 HydrophobicContact CD2-CB 4.39Å; L93-F223 HydrophobicContact CD1-CB 4.4Å; L93-F223 HydrophobicContact CD2-CB 3.71Å; L93-F223 HydrophobicContact CD2-CG 4.31Å; L93-L227 HydrophobicContact CD1-CD1 3.89Å
94	N	95.1	Very high	93.1	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.016	13%	0.128	C	C	.	.	H	α-helix	trans	-56.4	-47.6	178.2	-67	-5.5	0	0	0	110.8	F84 R85 S90 C91 L97 Q98 D513	F84-N94 HydrophobicContact CB-CB 3.89Å; F84-N94 VanDerWaalsContact CB-CG 3.47Å; F84-N94 PolarHBondContact O-ND2 2.86Å; R85-N94 PolarHBondContact O-ND2 2.9Å; S90-N94 PolarHBondContact O-N 2.82Å; S90-N94 PolarHBondContact O-OD1 3.15Å; S90-N94 PolarHBondContact OG-OD1 3.2Å; C91-N94 PolarHBondContact O-N 2.83Å; N94-L97 PolarHBondContact O-N 2.69Å; N94-Q98 WeakPolarHBondContact O-CB 3.07Å; N94-Q98 WeakPolarHBondContact O-CG 3.49Å; N94-Q98 PolarHBondContact O-N 2.82Å; N94-D513 PolarHBondContact ND2-OD1 3.33Å
95	A	96.6	Very high	92.9	Very high	3 Å²	3	28.9 Å²	28.9	3%	0.025	14%	0.137	C	C	.	.	H	α-helix	trans	-63.9	-41	178.1	0	0	0	0	0	112.4	C91 L93 L99 I476 I490	C91-A95 WeakPolarHBondContact O-CB 3.43Å; C91-A95 PolarHBondContact O-N 2.99Å; L93-A95 VanDerWaalsContact C-N 3.32Å; L93-A95 PolarHBondContact O-N 3.17Å; A95-L99 PolarHBondContact O-N 3.31Å; A95-I476 HydrophobicContact CB-CD1 4.28Å; A95-I476 HydrophobicContact CB-CG1 4.23Å; A95-I476 HydrophobicContact CB-CG2 4.04Å; A95-I490 HydrophobicContact CB-CB 4.42Å; A95-I490 WeakPolarHBondContact O-CD1 3.44Å
96	S	96.7	Very high	92.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-66.8	-42.4	176.9	-64.1	0	0	0	0	112.7	F92 L93 L99 L100 A237	F92-S96 PolarHBondContact O-N 3.42Å; F92-S96 VanDerWaalsContact O-N 3.14Å; F92-S96 PolarHBondContact O-OG 3.13Å; F92-S96 VanDerWaalsContact O-OG 3.09Å; L93-S96 PolarHBondContact O-N 2.88Å; S96-L99 WeakPolarHBondContact O-CB 3.5Å; S96-L99 PolarHBondContact O-N 3.32Å; S96-L100 PolarHBondContact O-N 3.5Å; S96-L100 VanDerWaalsContact O-N 3.12Å; S96-A237 PolarHBondContact OG-O 3.08Å
97	L	95.6	Very high	93	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63	-44.8	175.1	-70.8	176.3	0	0	0	111.3	F84 L93 N94 L99 L100 L101 L141 P219 F223	F84-L97 HydrophobicContact CE2-CB 4.17Å; F84-L97 HydrophobicContact CZ-CB 4.33Å; L93-L97 HydrophobicContact CD1-CD1 4.07Å; L93-L97 HydrophobicContact CD1-CD2 4.4Å; L93-L97 HydrophobicContact CD1-CG 3.93Å; L93-L97 HydrophobicContact CD2-CD1 4.49Å; L93-L97 HydrophobicContact CG-CD1 3.91Å; L93-L97 HydrophobicContact CG-CG 4.21Å; L93-L97 WeakPolarHBondContact O-CB 3.38Å; L93-L97 WeakPolarHBondContact O-CG 3.22Å; L93-L97 PolarHBondContact O-N 3.2Å; N94-L97 PolarHBondContact O-N 2.69Å; L97-L99 VanDerWaalsContact C-N 3.26Å; L97-L99 PolarHBondContact O-N 3.38Å; L97-L100 PolarHBondContact O-N 2.93Å; L97-L101 HydrophobicContact CB-CD1 4.49Å; L97-L101 WeakPolarHBondContact O-CB 3.08Å; L97-L101 VanDerWaalsContact O-CG 3.26Å; L97-L101 WeakPolarHBondContact O-CG 3.18Å; L97-L101 PolarHBondContact O-N 3.41Å; L97-L141 HydrophobicContact CD2-CD2 3.6Å; L97-P219 HydrophobicContact CD1-CB 4.01Å; L97-P219 HydrophobicContact CD1-CG 4.03Å; L97-F223 HydrophobicContact CD2-CE1 4.16Å; L97-F223 HydrophobicContact CD2-CZ 4.28Å
98	Q	95.5	Very high	93	Very high	5 Å²	5	16.9 Å²	16.9	2%	0.023	8%	0.081	C	C	.	.	H	α-helix	trans	-57.7	-40.4	173.9	-72.9	-71.7	13.7	0	0	111.9	C82 F84 N94 N102 I490	C82-Q98 PolarHBondContact O-NE2 2.85Å; F84-Q98 HydrophobicContact CD2-CG 3.72Å; F84-Q98 HydrophobicContact CE2-CG 3.75Å; N94-Q98 WeakPolarHBondContact O-CB 3.07Å; N94-Q98 WeakPolarHBondContact O-CG 3.49Å; N94-Q98 PolarHBondContact O-N 2.82Å; Q98-N102 WeakPolarHBondContact O-CB 3.25Å; Q98-N102 PolarHBondContact O-N 2.84Å; Q98-N102 PolarHBondContact O-ND2 3.48Å; Q98-N102 PolarHBondContact OE1-ND2 2.84Å; Q98-I490 HydrophobicContact CB-CD1 4Å; Q98-I490 HydrophobicContact CB-CG2 3.63Å; Q98-I490 HydrophobicContact CG-CG2 3.98Å
99	L	97.1	Very high	93.3	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-60.2	-48.1	177.2	-174.4	149.9	0	0	0	111	A95 S96 L97 I103 L241 I476 I490 I584 L586	A95-L99 PolarHBondContact O-N 3.31Å; S96-L99 WeakPolarHBondContact O-CB 3.5Å; S96-L99 PolarHBondContact O-N 3.32Å; L97-L99 VanDerWaalsContact C-N 3.26Å; L97-L99 PolarHBondContact O-N 3.38Å; L99-I103 HydrophobicContact CD2-CD1 4.21Å; L99-I103 WeakPolarHBondContact O-CG1 3.22Å; L99-L241 HydrophobicContact CD1-CD2 4.09Å; L99-L241 HydrophobicContact CD2-CD1 4.31Å; L99-L241 HydrophobicContact CD2-CD2 4.2Å; L99-I476 HydrophobicContact CB-CD1 4.18Å; L99-I476 HydrophobicContact CD1-CD1 3.62Å; L99-I476 HydrophobicContact CD1-CG1 4Å; L99-I490 HydrophobicContact CB-CD1 3.68Å; L99-I490 HydrophobicContact CG-CD1 4.48Å; L99-I584 HydrophobicContact CD1-CG2 4.47Å; L99-L586 HydrophobicContact CD1-CB 4.26Å; L99-L586 HydrophobicContact CD2-CD1 4.48Å; L99-L586 HydrophobicContact CD2-CD2 4.22Å; L99-L586 HydrophobicContact CG-CB 4.49Å; L99-L586 HydrophobicContact CG-CD2 4.21Å
100	L	96	Very high	93.5	Very high	3 Å²	3	7.8 Å²	7.8	2%	0.016	5%	0.046	C	C	.	.	H	α-helix	trans	-70.6	-44.4	-177.3	-64.2	179.3	0	0	0	112.9	S96 L97 N102 I103 L106 L241 L244 L245 L248	S96-L100 PolarHBondContact O-N 3.5Å; S96-L100 VanDerWaalsContact O-N 3.12Å; L97-L100 PolarHBondContact O-N 2.93Å; L100-N102 PolarHBondContact O-N 2.74Å; L100-I103 WeakPolarHBondContact O-CB 3.46Å; L100-I103 PolarHBondContact O-N 3.43Å; L100-I103 VanDerWaalsContact O-N 3.09Å; L100-L106 HydrophobicContact CB-CD2 3.85Å; L100-L106 HydrophobicContact CD2-CD2 3.77Å; L100-L106 HydrophobicContact CG-CD2 4.33Å; L100-L241 HydrophobicContact CD1-CD1 4.28Å; L100-L241 HydrophobicContact CD2-CD1 3.93Å; L100-L241 HydrophobicContact CG-CD1 4.08Å; L100-L244 HydrophobicContact CD1-CB 4.09Å; L100-L244 HydrophobicContact CD1-CD1 4.03Å; L100-L244 HydrophobicContact CD1-CG 4.47Å; L100-L245 HydrophobicContact CD2-CD2 3.99Å; L100-L248 HydrophobicContact CD1-CD1 4.41Å
101	L	93.3	Very high	93.3	Very high	5 Å²	5	8.9 Å²	8.9	3%	0.026	5%	0.048	C	C	.	.	H	α-helix	trans	-68	-19	-177.9	-67.6	169.1	0	0	0	113.3	I79 F84 L97 I103 C107 L144 I145 L148	I79-L101 HydrophobicContact CD1-CB 4.16Å; I79-L101 HydrophobicContact CD1-CD2 3.7Å; F84-L101 HydrophobicContact CE2-CD1 4.08Å; F84-L101 HydrophobicContact CZ-CD1 3.57Å; L97-L101 HydrophobicContact CB-CD1 4.49Å; L97-L101 WeakPolarHBondContact O-CB 3.08Å; L97-L101 VanDerWaalsContact O-CG 3.26Å; L97-L101 WeakPolarHBondContact O-CG 3.18Å; L97-L101 PolarHBondContact O-N 3.41Å; L101-I103 VanDerWaalsContact C-N 3.29Å; L101-C107 PolarHBondContact O-SG 3.45Å; L101-L144 HydrophobicContact CD1-CD2 3.71Å; L101-L144 HydrophobicContact CD1-CG 4.22Å; L101-L144 HydrophobicContact CD2-CD2 4.46Å; L101-I145 HydrophobicContact CD2-CD1 4.49Å; L101-I145 HydrophobicContact CD2-CG1 3.77Å; L101-L148 HydrophobicContact CD1-CD1 4.17Å
102	N	92.4	Very high	92.9	Very high	22 Å²	22	12.9 Å²	12.9	12%	0.118	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	17.2	175.1	-75.7	-88.8	0	0	0	113.3	Q98 L100 P104 V492	Q98-N102 WeakPolarHBondContact O-CB 3.25Å; Q98-N102 PolarHBondContact O-N 2.84Å; Q98-N102 PolarHBondContact O-ND2 3.48Å; Q98-N102 PolarHBondContact OE1-ND2 2.84Å; L100-N102 PolarHBondContact O-N 2.74Å; N102-P104 WeakPolarHBondContact O-CD 3.43Å; N102-V492 HydrophobicContact CB-CB 4.38Å; N102-V492 HydrophobicContact CB-CG1 3.35Å; N102-V492 HydrophobicContact CB-CG2 4.25Å
103	I	92.6	Very high	92.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.066	C	C	.	.			trans	-107	97.5	171.1	-60.9	172.8	0	0	0	107.9	L99 L100 L101 T105 L106 C107 F307 Y398 L586	L99-I103 HydrophobicContact CD2-CD1 4.21Å; L99-I103 WeakPolarHBondContact O-CG1 3.22Å; L100-I103 WeakPolarHBondContact O-CB 3.46Å; L100-I103 PolarHBondContact O-N 3.43Å; L100-I103 VanDerWaalsContact O-N 3.09Å; L101-I103 VanDerWaalsContact C-N 3.29Å; I103-T105 PolarHBondContact O-N 3.43Å; I103-T105 VanDerWaalsContact O-N 3.17Å; I103-L106 HydrophobicContact CB-CB 3.88Å; I103-L106 HydrophobicContact CG2-CB 3.65Å; I103-L106 WeakPolarHBondContact O-CB 3.39Å; I103-L106 PolarHBondContact O-N 2.74Å; I103-L106 VanDerWaalsContact O-N 3.09Å; I103-C107 PolarHBondContact O-N 3.48Å; I103-C107 PolarHBondContact O-SG 3.27Å; I103-F307 HydrophobicContact CD1-CE1 3.64Å; I103-F307 HydrophobicContact CD1-CZ 3.55Å; I103-F307 HydrophobicContact CG2-CZ 4.47Å; I103-Y398 HydrophobicContact CD1-CD1 4.49Å; I103-Y398 HydrophobicContact CG1-CE1 4.44Å; I103-Y398 HydrophobicContact CG2-CD1 4.26Å; I103-Y398 HydrophobicContact CG2-CD2 4.23Å; I103-Y398 HydrophobicContact CG2-CE1 3.73Å; I103-Y398 HydrophobicContact CG2-CE2 3.72Å; I103-Y398 HydrophobicContact CG2-CG 4.47Å; I103-Y398 VanDerWaalsContact CG2-CZ 3.43Å; I103-L586 HydrophobicContact CD1-CD1 4.18Å; I103-L586 HydrophobicContact CD1-CD2 3.71Å; I103-L586 HydrophobicContact CG1-CD2 3.81Å
104	P	89.6	Confident	91.6	Very high	21 Å²	21	16.6 Å²	16.6	14%	0.136	8%	0.08	C	C	.	.	H	α-helix	trans	-58.8	-34.8	-172.5	-27.2	36.1	0	0	0	113.7	L77 N102 C107 S108	L77-P104 PolarHBondContact N-O 3.38Å; L77-P104 WeakPolarHBondContact O-CA 3.06Å; N102-P104 WeakPolarHBondContact O-CD 3.43Å; P104-C107 PolarHBondContact O-N 3.23Å; P104-S108 WeakPolarHBondContact O-CB 3.34Å; P104-S108 PolarHBondContact O-N 2.95Å
105	T	90.6	Very high	90.5	Very high	29 Å²	29	20 Å²	20	18%	0.178	12%	0.115	C	C	.	.	H	α-helix	trans	-72.1	-34.8	-179.6	56.8	0	0	0	0	112	I103 T109 Y398 I593	I103-T105 PolarHBondContact O-N 3.43Å; I103-T105 VanDerWaalsContact O-N 3.17Å; T105-T109 VanDerWaalsContact O-CB 3.26Å; T105-T109 WeakPolarHBondContact O-CB 3.32Å; T105-T109 PolarHBondContact O-N 2.82Å; T105-T109 PolarHBondContact O-OG1 2.95Å; T105-Y398 WeakPolarHBondContact OG1-CE2 3.29Å; T105-Y398 PolarHBondContact OG1-OH 3.08Å; T105-I593 HydrophobicContact CG2-CD1 3.4Å; T105-I593 HydrophobicContact CG2-CG1 4.39Å
106	L	93.3	Very high	89.1	Confident	1 Å²	1	22 Å²	22	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-66.8	-46.4	171.3	173.7	60.3	0	0	0	110	L100 I103 S108 T109 L110 I303 L306 F307	L100-L106 HydrophobicContact CB-CD2 3.85Å; L100-L106 HydrophobicContact CD2-CD2 3.77Å; L100-L106 HydrophobicContact CG-CD2 4.33Å; I103-L106 HydrophobicContact CB-CB 3.88Å; I103-L106 HydrophobicContact CG2-CB 3.65Å; I103-L106 WeakPolarHBondContact O-CB 3.39Å; I103-L106 PolarHBondContact O-N 2.74Å; I103-L106 VanDerWaalsContact O-N 3.09Å; L106-S108 VanDerWaalsContact C-N 3.33Å; L106-S108 PolarHBondContact O-N 3.07Å; L106-T109 WeakPolarHBondContact O-CA 3.25Å; L106-T109 WeakPolarHBondContact O-CB 3.31Å; L106-T109 PolarHBondContact O-N 3.23Å; L106-L110 HydrophobicContact CD1-CD1 4.03Å; L106-L110 HydrophobicContact CD1-CG 4.04Å; L106-L110 HydrophobicContact CG-CD1 3.97Å; L106-L110 HydrophobicContact CG-CG 4.42Å; L106-L110 WeakPolarHBondContact O-CG 3.24Å; L106-L110 PolarHBondContact O-N 3.41Å; L106-I303 HydrophobicContact CD1-CD1 3.5Å; L106-I303 VanDerWaalsContact CD1-CD1 3.5Å; L106-L306 HydrophobicContact CB-CD1 4.18Å; L106-L306 HydrophobicContact CD1-CD1 4.18Å; L106-F307 HydrophobicContact CD1-CE2 4.24Å; L106-F307 HydrophobicContact CD2-CE2 4.14Å; L106-F307 HydrophobicContact CD2-CZ 4.06Å
107	C	92.9	Very high	87.3	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.007	16%	0.159	C	C	.	.	H	α-helix	trans	-61.1	-42.6	179.6	-60.6	0	0	0	0	111.8	L77 I79 L101 I103 P104 T109 L110 Y111 I145	L77-C107 HydrophobicContact CB-CB 3.97Å; L77-C107 HydrophobicContact CD2-CB 4.32Å; L77-C107 HydrophobicContact CG-CB 4.37Å; L77-C107 WeakPolarHBondContact O-CB 3.42Å; I79-C107 HydrophobicContact CD1-CB 3.98Å; I79-C107 WeakPolarHBondContact CD1-SG 3.39Å; I79-C107 HydrophobicContact CG1-CB 4.27Å; L101-C107 PolarHBondContact O-SG 3.45Å; I103-C107 PolarHBondContact O-N 3.48Å; I103-C107 PolarHBondContact O-SG 3.27Å; P104-C107 PolarHBondContact O-N 3.23Å; C107-T109 VanDerWaalsContact C-N 3.32Å; C107-T109 PolarHBondContact O-N 2.84Å; C107-L110 PolarHBondContact O-N 3.2Å; C107-Y111 WeakPolarHBondContact O-CB 3.4Å; C107-Y111 PolarHBondContact O-N 3.4Å; C107-I145 HydrophobicContact CB-CD1 4.37Å
108	S	89.7	Confident	85.6	Confident	3 Å²	3	28.2 Å²	28.2	2%	0.021	17%	0.166	C	C	.	.	H	α-helix	trans	-62	-40.8	173	-176.8	0	0	0	0	111.5	I72 P104 L106 Y111 K112	I72-S108 PolarHBondContact O-OG 3.26Å; P104-S108 WeakPolarHBondContact O-CB 3.34Å; P104-S108 PolarHBondContact O-N 2.95Å; L106-S108 VanDerWaalsContact C-N 3.33Å; L106-S108 PolarHBondContact O-N 3.07Å; S108-Y111 PolarHBondContact O-N 2.95Å; S108-K112 VanDerWaalsContact O-CG 3.27Å; S108-K112 WeakPolarHBondContact O-CG 3.41Å; S108-K112 PolarHBondContact O-N 2.8Å; S108-K112 WeakPolarHBondContact OG-CE 3.39Å
109	T	90.7	Very high	83.4	Confident	25 Å²	25	32.9 Å²	32.9	15%	0.153	20%	0.199	C	C	.	.	H	α-helix	trans	-64.6	-45.4	178.4	-63.9	0	0	0	0	112.2	T105 L106 C107 K112 S113 M252 P302	T105-T109 VanDerWaalsContact O-CB 3.26Å; T105-T109 WeakPolarHBondContact O-CB 3.32Å; T105-T109 PolarHBondContact O-N 2.82Å; T105-T109 PolarHBondContact O-OG1 2.95Å; L106-T109 WeakPolarHBondContact O-CA 3.25Å; L106-T109 WeakPolarHBondContact O-CB 3.31Å; L106-T109 PolarHBondContact O-N 3.23Å; C107-T109 VanDerWaalsContact C-N 3.32Å; C107-T109 PolarHBondContact O-N 2.84Å; T109-K112 PolarHBondContact O-N 2.83Å; T109-S113 PolarHBondContact O-N 2.97Å; T109-S113 PolarHBondContact O-OG 2.81Å; T109-M252 HydrophobicContact CG2-CE 3.7Å; T109-M252 HydrophobicContact CG2-SD 4.48Å; T109-P302 HydrophobicContact CG2-CB 3.29Å; T109-P302 HydrophobicContact CG2-CG 4.18Å
110	L	91.4	Very high	81.2	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-64	-40.7	174.9	-69.6	169	0	0	0	111.6	L106 C107 K112 S113 T138 L141 I145 L248 M252	L106-L110 HydrophobicContact CD1-CD1 4.03Å; L106-L110 HydrophobicContact CD1-CG 4.04Å; L106-L110 HydrophobicContact CG-CD1 3.97Å; L106-L110 HydrophobicContact CG-CG 4.42Å; L106-L110 WeakPolarHBondContact O-CG 3.24Å; L106-L110 PolarHBondContact O-N 3.41Å; C107-L110 PolarHBondContact O-N 3.2Å; L110-K112 VanDerWaalsContact C-N 3.3Å; L110-K112 PolarHBondContact O-N 2.81Å; L110-S113 WeakPolarHBondContact CA-OG 3.37Å; L110-S113 PolarHBondContact O-N 3.34Å; L110-S113 VanDerWaalsContact O-N 3.15Å; L110-S113 PolarHBondContact O-OG 3.11Å; L110-T138 HydrophobicContact CD2-CG2 3.99Å; L110-L141 HydrophobicContact CD1-CB 4.25Å; L110-L141 HydrophobicContact CD1-CD1 4.13Å; L110-I145 HydrophobicContact CB-CD1 3.86Å; L110-I145 HydrophobicContact CD1-CD1 3.76Å; L110-I145 HydrophobicContact CG-CD1 4.48Å; L110-L248 HydrophobicContact CD2-CD2 4.23Å; L110-M252 HydrophobicContact CD2-CE 4.38Å; L110-M252 HydrophobicContact CD2-SD 3.69Å
111	Y	88.4	Confident	78.4	Confident	37 Å²	37	40.3 Å²	40.3	15%	0.145	26%	0.264	C	S	.	.	H	α-helix	trans	-62.9	-36.6	177	-162.7	-96.4	0	0	0	112	L77 C107 S108 S113 R114 L142 I145 E146 V152 D156	L77-Y111 HydrophobicContact CD2-CD2 4.2Å; L77-Y111 HydrophobicContact CD2-CG 4.17Å; C107-Y111 WeakPolarHBondContact O-CB 3.4Å; C107-Y111 PolarHBondContact O-N 3.4Å; S108-Y111 PolarHBondContact O-N 2.95Å; Y111-S113 VanDerWaalsContact C-N 3.26Å; Y111-S113 PolarHBondContact O-N 2.94Å; Y111-R114 WeakPolarHBondContact O-CB 3.49Å; Y111-R114 PolarHBondContact O-N 3.2Å; Y111-R114 VanDerWaalsContact O-N 3.13Å; Y111-R114 PolarHBondContact OH-NH1 3.09Å; Y111-L142 HydrophobicContact CD2-CD1 4.04Å; Y111-I145 HydrophobicContact CD2-CG2 4.49Å; Y111-E146 HydrophobicContact CE2-CG 4.34Å; Y111-V152 HydrophobicContact CE1-CG1 3.87Å; Y111-V152 HydrophobicContact CE2-CG1 3.87Å; Y111-V152 VanDerWaalsContact CZ-CG1 3.41Å; Y111-V152 WeakPolarHBondContact OH-CG1 3.34Å; Y111-D156 PolarHBondContact OH-OD2 3.11Å
112	K	84.2	Confident	75.6	Confident	85 Å²	85	48.3 Å²	48.3	37%	0.37	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-14.7	175.6	-69.5	169.6	-159.4	172.8	0	114.9	I73 S108 T109 L110 R114 K259	I73-K112 VanDerWaalsContact CG1-CE 3.42Å; S108-K112 VanDerWaalsContact O-CG 3.27Å; S108-K112 WeakPolarHBondContact O-CG 3.41Å; S108-K112 PolarHBondContact O-N 2.8Å; S108-K112 WeakPolarHBondContact OG-CE 3.39Å; T109-K112 PolarHBondContact O-N 2.83Å; L110-K112 VanDerWaalsContact C-N 3.3Å; L110-K112 PolarHBondContact O-N 2.81Å; K112-R114 VanDerWaalsContact C-N 3.32Å; K112-K259 PolarHBondContact O-NZ 2.9Å
113	S	82.3	Confident	72.7	Confident	9 Å²	9	52.4 Å²	52.4	6%	0.063	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-3.9	171.8	33.2	0	0	0	0	113.2	T109 L110 Y111 G115 I116	T109-S113 PolarHBondContact O-N 2.97Å; T109-S113 PolarHBondContact O-OG 2.81Å; L110-S113 WeakPolarHBondContact CA-OG 3.37Å; L110-S113 PolarHBondContact O-N 3.34Å; L110-S113 VanDerWaalsContact O-N 3.15Å; L110-S113 PolarHBondContact O-OG 3.11Å; Y111-S113 VanDerWaalsContact C-N 3.26Å; Y111-S113 PolarHBondContact O-N 2.94Å; S113-G115 PolarHBondContact O-N 3.05Å; S113-I116 WeakPolarHBondContact O-CG1 3.42Å; S113-I116 PolarHBondContact O-N 3.39Å
114	R	80.2	Confident	69.6	Low	95 Å²	95	57.1 Å²	57.1	36%	0.358	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	134.8	178.8	-179.1	176.7	-165.7	-140.5	0.8	112.1	Y111 K112 I116 L142 E146 D156	Y111-R114 WeakPolarHBondContact O-CB 3.49Å; Y111-R114 PolarHBondContact O-N 3.2Å; Y111-R114 VanDerWaalsContact O-N 3.13Å; Y111-R114 PolarHBondContact OH-NH1 3.09Å; K112-R114 VanDerWaalsContact C-N 3.32Å; R114-I116 VanDerWaalsContact C-N 3.27Å; R114-I116 PolarHBondContact O-N 3.39Å; R114-L142 HydrophobicContact CB-CD1 4.43Å; R114-L142 HydrophobicContact CB-CD2 3.73Å; R114-L142 HydrophobicContact CG-CD2 3.92Å; R114-E146 WeakPolarHBondContact CD-OE1 3.23Å; R114-E146 IonicContact CZ-OE1 3.2Å; R114-E146 IonicContact NE-OE1 3.37Å; R114-E146 PolarHBondContact NE-OE1 2.99Å; R114-E146 IonicContact NH2-OE1 3.32Å; R114-E146 PolarHBondContact NH2-OE1 3.35Å; R114-D156 IonicContact NH1-OD2 2.99Å; R114-D156 PolarHBondContact NH1-OD2 3.31Å
115	G	71.2	Confident	66.8	Low	73 Å²	73	64.8 Å²	64.8	75%	0.753	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	4.1	173.8	0	0	0	0	0	115.2	S113 C117	S113-G115 PolarHBondContact O-N 3.05Å; G115-C117 PolarHBondContact O-N 2.75Å
116	I	68	Low	64.1	Low	46 Å²	46	72.5 Å²	72.5	24%	0.236	43%	0.429	C	S	.	.			trans	-94.1	99.5	-178.2	-52.2	-179	0	0	0	109.2	S113 R114 I255 K259	S113-I116 WeakPolarHBondContact O-CG1 3.42Å; S113-I116 PolarHBondContact O-N 3.39Å; R114-I116 VanDerWaalsContact C-N 3.27Å; R114-I116 PolarHBondContact O-N 3.39Å; I116-I255 HydrophobicContact CB-CG2 4.15Å; I116-I255 HydrophobicContact CD1-CG2 3.97Å; I116-I255 HydrophobicContact CG2-CG2 3.89Å; I116-K259 HydrophobicContact CD1-CD 4.2Å; I116-K259 HydrophobicContact CD1-CG 4.3Å
117	C	58.8	Low	61.1	Low	108 Å²	108	76.6 Å²	76.6	73%	0.73	46%	0.464	S	S	*	.			trans	-85.1	124.3	173.9	-67.7	0	0	0	0	109.8	G115	G115-C117 PolarHBondContact O-N 2.75Å
118	V	58.7	Low	58.1	Low	23 Å²	23	82.7 Å²	82.7	14%	0.139	51%	0.506	C	S	.	.			trans	-91.9	109.6	170.7	-169.2	0	0	0	0	107.7	K134 I255 A258	V118-K134 HydrophobicContact CB-CB 4.05Å; V118-K134 HydrophobicContact CB-CD 3.65Å; V118-K134 HydrophobicContact CB-CG 4.42Å; V118-K134 HydrophobicContact CG1-CD 3.41Å; V118-K134 VanDerWaalsContact CG1-CD 3.41Å; V118-K134 WeakPolarHBondContact O-CD 3.33Å; V118-I255 HydrophobicContact CG2-CG1 3.98Å; V118-A258 HydrophobicContact CG1-CB 4.4Å; V118-A258 HydrophobicContact CG2-CB 4.32Å
119	S	50.7	Low	55.2	Low	103 Å²	103	86 Å²	86	72%	0.72	54%	0.54	S	S	*	.			trans	-78	143.1	170.2	46.9	0	0	0	0	110.5	G121 K134	S119-G121 PolarHBondContact O-N 2.77Å; S119-K134 PolarHBondContact O-NZ 3.17Å
120	S	49.7	Very low	52.5	Low	82 Å²	82	91.3 Å²	91.3	57%	0.573	57%	0.573	S	S	*	*			trans	-75.4	112.6	165.8	62.2	0	0	0	0	109	E122	S120-E122 PolarHBondContact O-N 3.4Å
121	G	37.8	Very low	50	Low	77 Å²	77	99.4 Å²	99.4	79%	0.794	61%	0.611	S	S	*	*			trans	-78	70.6	161.7	0	0	0	0	0	108.9	S119	S119-G121 PolarHBondContact O-N 2.77Å
122	E	33.6	Very low	48	Very low	172 Å²	172	106.2 Å²	106.2	80%	0.804	64%	0.643	S	S	*	*			trans	-170.5	87.3	164.6	-109.7	171.3	-156.8	0	0	109.7	S120	S120-E122 PolarHBondContact O-N 3.4Å
123	S	32.5	Very low	46.6	Very low	108 Å²	108	108.9 Å²	108.9	76%	0.755	66%	0.655	S	S	*	*			trans	160.3	100.5	142.1	50.8	0	0	0	0	110.1
124	S	27.8	Very low	45.9	Very low	100 Å²	100	112.7 Å²	112.7	70%	0.699	67%	0.67	S	S	*	*			trans	-60.7	137	148	48.6	0	0	0	0	108.4
125	F	31	Very low	46.3	Very low	181 Å²	181	108.5 Å²	108.5	79%	0.794	66%	0.655	S	S	*	*			trans	85.6	78.4	174.6	-51.8	-79.3	0	0	0	117.3
126	H	33.5	Very low	47.2	Very low	191 Å²	191	107.1 Å²	107.1	88%	0.884	63%	0.633	S	S	*	*				-174.9	137.2	111.9	-106.9	-82	0	0	0	111
127	A	31.1	Very low	48.4	Very low	88 Å²	88	104.9 Å²	104.9	73%	0.727	62%	0.622	S	S	*	*			trans	-81.2	145.4	176.1	0	0	0	0	0	111.7
128	S	29.4	Very low	50	Low	128 Å²	128	99.9 Å²	99.9	90%	0.895	59%	0.588	S	S	*	*			trans	90.8	113.3	172.4	-53.3	0	0	0	0	117.2
129	G	28.1	Very low	51.5	Low	72 Å²	72	100.8 Å²	100.8	74%	0.742	59%	0.592	S	S	*	*	S	Bend	trans	121.3	104.2	149.3	0	0	0	0	0	115.7
130	V	34.2	Very low	53.4	Low	137 Å²	137	97.4 Å²	97.4	83%	0.83	57%	0.565	S	S	*	*			trans	54.7	103.9	159.6	-166.8	0	0	0	0	115.8	E132	V130-E132 PolarHBondContact O-N 3.09Å
131	Q	39.8	Very low	55.5	Low	173 Å²	173	93.6 Å²	93.6	81%	0.808	54%	0.538	S	S	*	.			trans	-54.9	108.1	161.2	-81.2	179.1	-12.1	0	0	108.6	K133	Q131-K133 PolarHBondContact O-N 3.23Å
132	E	46.2	Very low	58	Low	179 Å²	179	90.6 Å²	90.6	84%	0.836	50%	0.504	S	S	*	.			trans	-60.6	107.6	166.6	-80.5	-176.1	157.4	0	0	107.4	V130 K134	V130-E132 PolarHBondContact O-N 3.09Å; E132-K134 PolarHBondContact O-N 3.27Å; E132-K134 VanDerWaalsContact O-N 3.08Å
133	K	53.3	Low	60.6	Low	142 Å²	142	85.9 Å²	85.9	62%	0.617	48%	0.482	S	S	*	.			trans	-58.7	115.1	172.4	-71.7	173	158.9	-140.2	0	107	Q131 T135 P136 D139	Q131-K133 PolarHBondContact O-N 3.23Å; K133-T135 PolarHBondContact O-N 2.9Å; K133-T135 VanDerWaalsContact O-N 3.13Å; K133-P136 WeakPolarHBondContact O-CD 3.21Å; K133-D139 VanDerWaalsContact CD-OD2 3.3Å; K133-D139 WeakPolarHBondContact CD-OD2 3.26Å; K133-D139 WeakPolarHBondContact CE-OD2 3.44Å; K133-D139 IonicContact NZ-OD2 2.96Å; K133-D139 PolarHBondContact NZ-OD2 3.27Å
134	K	69.1	Low	63.3	Low	88 Å²	88	81.3 Å²	81.3	38%	0.383	45%	0.449	S	S	.	.	S	Bend	trans	-65.4	-7.4	175	-83.8	-174.8	173.5	-179.2	0	113.7	V118 S119 E132 P136	V118-K134 HydrophobicContact CB-CB 4.05Å; V118-K134 HydrophobicContact CB-CD 3.65Å; V118-K134 HydrophobicContact CB-CG 4.42Å; V118-K134 HydrophobicContact CG1-CD 3.41Å; V118-K134 VanDerWaalsContact CG1-CD 3.41Å; V118-K134 WeakPolarHBondContact O-CD 3.33Å; S119-K134 PolarHBondContact O-NZ 3.17Å; E132-K134 PolarHBondContact O-N 3.27Å; E132-K134 VanDerWaalsContact O-N 3.08Å; K134-P136 VanDerWaalsContact C-CD 3.47Å
135	T	87	Confident	66.2	Low	7 Å²	7	76.6 Å²	76.6	4%	0.043	42%	0.416	C	S	.	.			trans	-132.8	49.4	-170.8	59.6	0	0	0	0	113.3	K133 L137 T138 D139 E251 I255	K133-T135 PolarHBondContact O-N 2.9Å; K133-T135 VanDerWaalsContact O-N 3.13Å; T135-L137 PolarHBondContact O-N 3.4Å; T135-T138 PolarHBondContact O-N 3.09Å; T135-D139 WeakPolarHBondContact O-CB 3.39Å; T135-D139 VanDerWaalsContact O-CG 3.27Å; T135-D139 PolarHBondContact O-N 3.01Å; T135-D139 PolarHBondContact OG1-OD1 2.74Å; T135-E251 VanDerWaalsContact C-CD 3.47Å; T135-E251 VanDerWaalsContact CA-CD 3.48Å; T135-E251 VanDerWaalsContact CA-OE2 3.27Å; T135-E251 WeakPolarHBondContact CA-OE2 3.41Å; T135-E251 HydrophobicContact CG2-CB 4.08Å; T135-I255 HydrophobicContact CG2-CD1 3.86Å; T135-I255 HydrophobicContact CG2-CG1 3.83Å
136	P	90.5	Very high	68.9	Low	44 Å²	44	70.2 Å²	70.2	29%	0.286	39%	0.388	S	S	.	.	H	α-helix	trans	-63	-37.7	-170.6	27.8	-36.5	0	0	0	113.6	K133 K134 Q140 L226 E251	K133-P136 WeakPolarHBondContact O-CD 3.21Å; K134-P136 VanDerWaalsContact C-CD 3.47Å; P136-Q140 VanDerWaalsContact O-CG 3.29Å; P136-Q140 WeakPolarHBondContact O-CG 3.37Å; P136-Q140 PolarHBondContact O-N 2.7Å; P136-L226 HydrophobicContact CB-CD1 4.15Å; P136-L226 HydrophobicContact CB-CD2 3.76Å; P136-L226 HydrophobicContact CG-CD2 3.84Å; P136-E251 WeakPolarHBondContact CD-OE1 3.47Å; P136-E251 WeakPolarHBondContact CG-OE1 3.48Å
137	L	92.9	Very high	71.3	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-73.8	-42.2	180	-178.9	64	0	0	0	111.7	T135 D139 Q140 L141 F223 L226 L227 L244 Q247 L248 E251	T135-L137 PolarHBondContact O-N 3.4Å; L137-D139 VanDerWaalsContact C-N 3.31Å; L137-D139 PolarHBondContact O-N 3.26Å; L137-Q140 PolarHBondContact O-N 2.89Å; L137-L141 PolarHBondContact O-N 3.4Å; L137-F223 HydrophobicContact CD1-CD1 3.73Å; L137-F223 HydrophobicContact CD1-CE1 3.64Å; L137-L226 HydrophobicContact CB-CD1 4.31Å; L137-L226 HydrophobicContact CD1-CD1 4.36Å; L137-L227 HydrophobicContact CD1-CD2 4.5Å; L137-L227 HydrophobicContact CD2-CD2 4.26Å; L137-L244 HydrophobicContact CD1-CD2 3.92Å; L137-L244 HydrophobicContact CD2-CD2 4.03Å; L137-L244 HydrophobicContact CG-CD2 4.48Å; L137-Q247 HydrophobicContact CB-CG 4.04Å; L137-Q247 HydrophobicContact CD2-CB 3.63Å; L137-Q247 HydrophobicContact CD2-CG 3.79Å; L137-L248 HydrophobicContact CD2-CD2 4.05Å; L137-L248 HydrophobicContact CD2-CG 3.8Å; L137-L248 HydrophobicContact CG-CD2 3.99Å; L137-L248 HydrophobicContact CG-CG 4.29Å; L137-E251 VanDerWaalsContact CB-OE1 3.27Å; L137-E251 WeakPolarHBondContact CB-OE1 3.17Å; L137-E251 PolarHBondContact N-OE1 3.4Å; L137-E251 PolarHBondContact N-OE2 2.64Å; L137-E251 VanDerWaalsContact N-OE2 3.16Å
138	T	93	Very high	73.7	Confident	2 Å²	2	64.9 Å²	64.9	1%	0.012	34%	0.342	C	S	.	.	H	α-helix	trans	-58.4	-46.1	176.4	-55.5	0	0	0	0	110.1	L110 T135 Q140 L141 L142 E251 M252 I255	L110-T138 HydrophobicContact CD2-CG2 3.99Å; T135-T138 PolarHBondContact O-N 3.09Å; T138-Q140 VanDerWaalsContact C-N 3.34Å; T138-Q140 PolarHBondContact O-N 2.89Å; T138-L141 PolarHBondContact O-N 2.95Å; T138-L142 WeakPolarHBondContact O-CB 3.47Å; T138-L142 PolarHBondContact O-N 3.46Å; T138-E251 VanDerWaalsContact CB-OE2 3.27Å; T138-E251 WeakPolarHBondContact CB-OE2 3.49Å; T138-E251 PolarHBondContact N-OE2 2.89Å; T138-E251 WeakPolarHBondContact OG1-CB 3.42Å; T138-E251 PolarHBondContact OG1-OE2 3.44Å; T138-M252 HydrophobicContact CG2-CG 4.4Å; T138-I255 HydrophobicContact CG2-CD1 4.41Å
139	D	90.6	Very high	76	Confident	42 Å²	42	60 Å²	60	23%	0.225	31%	0.306	C	S	.	.	H	α-helix	trans	-60.3	-42.2	176.6	-77.5	13.1	0	0	0	112.1	K133 T135 L137 L142 E143	K133-D139 VanDerWaalsContact CD-OD2 3.3Å; K133-D139 WeakPolarHBondContact CD-OD2 3.26Å; K133-D139 WeakPolarHBondContact CE-OD2 3.44Å; K133-D139 IonicContact NZ-OD2 2.96Å; K133-D139 PolarHBondContact NZ-OD2 3.27Å; T135-D139 WeakPolarHBondContact O-CB 3.39Å; T135-D139 VanDerWaalsContact O-CG 3.27Å; T135-D139 PolarHBondContact O-N 3.01Å; T135-D139 PolarHBondContact OG1-OD1 2.74Å; L137-D139 VanDerWaalsContact C-N 3.31Å; L137-D139 PolarHBondContact O-N 3.26Å; D139-L142 PolarHBondContact O-N 3.48Å; D139-E143 PolarHBondContact O-N 2.85Å
140	Q	91.2	Very high	77.7	Confident	33 Å²	33	60 Å²	60	15%	0.154	29%	0.292	C	S	.	.	H	α-helix	trans	-67.3	-39.8	178.7	-73.2	-59.7	-68.7	0	0	112.5	P136 L137 T138 L144 N220 V222 F223 L226	P136-Q140 VanDerWaalsContact O-CG 3.29Å; P136-Q140 WeakPolarHBondContact O-CG 3.37Å; P136-Q140 PolarHBondContact O-N 2.7Å; L137-Q140 PolarHBondContact O-N 2.89Å; T138-Q140 VanDerWaalsContact C-N 3.34Å; T138-Q140 PolarHBondContact O-N 2.89Å; Q140-L144 PolarHBondContact O-N 3.32Å; Q140-N220 PolarHBondContact OE1-ND2 2.84Å; Q140-V222 HydrophobicContact CG-CG1 4.42Å; Q140-F223 HydrophobicContact CB-CE1 4.07Å; Q140-F223 HydrophobicContact CB-CE2 4.38Å; Q140-F223 HydrophobicContact CB-CZ 3.79Å; Q140-L226 HydrophobicContact CG-CD1 4.25Å
141	L	92.4	Very high	79	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-67.7	-39	173.4	-77.3	-176.8	0	0	0	111.6	L97 L110 L137 T138 L144 I145 F223 L248	L97-L141 HydrophobicContact CD2-CD2 3.6Å; L110-L141 HydrophobicContact CD1-CB 4.25Å; L110-L141 HydrophobicContact CD1-CD1 4.13Å; L137-L141 PolarHBondContact O-N 3.4Å; T138-L141 PolarHBondContact O-N 2.95Å; L141-L144 WeakPolarHBondContact O-CB 3.25Å; L141-L144 PolarHBondContact O-N 3.04Å; L141-I145 VanDerWaalsContact O-CG1 3.23Å; L141-I145 WeakPolarHBondContact O-CG1 3.25Å; L141-I145 PolarHBondContact O-N 3.38Å; L141-F223 HydrophobicContact CD2-CE1 4.15Å; L141-F223 HydrophobicContact CD2-CZ 4.13Å; L141-F223 HydrophobicContact CG-CE1 4.39Å; L141-L248 HydrophobicContact CD1-CD1 3.66Å; L141-L248 HydrophobicContact CD1-CD2 3.82Å; L141-L248 HydrophobicContact CD1-CG 4.27Å
142	L	90.6	Very high	79.9	Confident	15 Å²	15	54 Å²	54	8%	0.079	26%	0.258	C	S	.	.	H	α-helix	trans	-63	-45.1	177.3	-176.3	62.9	0	0	0	111.5	Y111 R114 T138 D139 L144 I145 E146	Y111-L142 HydrophobicContact CD2-CD1 4.04Å; R114-L142 HydrophobicContact CB-CD1 4.43Å; R114-L142 HydrophobicContact CB-CD2 3.73Å; R114-L142 HydrophobicContact CG-CD2 3.92Å; T138-L142 WeakPolarHBondContact O-CB 3.47Å; T138-L142 PolarHBondContact O-N 3.46Å; D139-L142 PolarHBondContact O-N 3.48Å; L142-L144 PolarHBondContact O-N 3.4Å; L142-I145 PolarHBondContact O-N 3.44Å; L142-I145 VanDerWaalsContact O-N 3.15Å; L142-E146 WeakPolarHBondContact O-CG 3.47Å; L142-E146 PolarHBondContact O-N 3.42Å
143	E	88.6	Confident	80.2	Confident	72 Å²	72	48 Å²	48	34%	0.336	23%	0.233	S	C	.	.	H	α-helix	trans	-56.3	-42.4	173.8	-170.4	-164.7	147.5	0	0	110.9	D139 E146 R147	D139-E143 PolarHBondContact O-N 2.85Å; E143-E146 PolarHBondContact O-N 3.06Å; E143-R147 WeakPolarHBondContact O-CB 3.34Å; E143-R147 VanDerWaalsContact O-CG 3.22Å; E143-R147 WeakPolarHBondContact O-CG 3.27Å; E143-R147 PolarHBondContact O-N 3.09Å; E143-R147 IonicContact OE1-NH1 2.69Å; E143-R147 PolarHBondContact OE1-NH1 3.44Å
144	L	89.2	Confident	79.9	Confident	12 Å²	12	47.6 Å²	47.6	6%	0.063	23%	0.233	C	C	.	.	H	α-helix	trans	-64.6	-42.9	178.2	-176	57.7	0	0	0	112.1	F84 L101 Q140 L141 L142 R147 L148 I217	F84-L144 HydrophobicContact CE1-CD1 4.12Å; F84-L144 HydrophobicContact CE1-CD2 4.04Å; F84-L144 HydrophobicContact CZ-CD2 4.04Å; L101-L144 HydrophobicContact CD1-CD2 3.71Å; L101-L144 HydrophobicContact CD1-CG 4.22Å; L101-L144 HydrophobicContact CD2-CD2 4.46Å; Q140-L144 PolarHBondContact O-N 3.32Å; L141-L144 WeakPolarHBondContact O-CB 3.25Å; L141-L144 PolarHBondContact O-N 3.04Å; L142-L144 PolarHBondContact O-N 3.4Å; L144-R147 PolarHBondContact O-N 2.78Å; L144-L148 HydrophobicContact CD1-CD1 4.08Å; L144-L148 HydrophobicContact CD1-CG 4.44Å; L144-L148 HydrophobicContact CG-CD1 4.06Å; L144-L148 WeakPolarHBondContact O-CB 3.42Å; L144-L148 WeakPolarHBondContact O-CD1 3.41Å; L144-L148 VanDerWaalsContact O-CG 3.25Å; L144-L148 WeakPolarHBondContact O-CG 3.18Å; L144-L148 PolarHBondContact O-N 3.38Å; L144-L148 VanDerWaalsContact O-N 3.11Å; L144-I217 HydrophobicContact CD1-CD1 3.68Å; L144-I217 HydrophobicContact CD1-CG2 3.89Å
145	I	89.7	Confident	78.7	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-61.6	-47.2	175.9	-66.8	168.9	0	0	0	110.4	L77 I79 L101 C107 L110 Y111 L141 L142 R147 L148 N149	L77-I145 HydrophobicContact CD2-CG2 3.63Å; I79-I145 HydrophobicContact CD1-CB 4.31Å; I79-I145 HydrophobicContact CD1-CG1 3.74Å; I79-I145 HydrophobicContact CD1-CG2 4.11Å; L101-I145 HydrophobicContact CD2-CD1 4.49Å; L101-I145 HydrophobicContact CD2-CG1 3.77Å; C107-I145 HydrophobicContact CB-CD1 4.37Å; L110-I145 HydrophobicContact CB-CD1 3.86Å; L110-I145 HydrophobicContact CD1-CD1 3.76Å; L110-I145 HydrophobicContact CG-CD1 4.48Å; Y111-I145 HydrophobicContact CD2-CG2 4.49Å; L141-I145 VanDerWaalsContact O-CG1 3.23Å; L141-I145 WeakPolarHBondContact O-CG1 3.25Å; L141-I145 PolarHBondContact O-N 3.38Å; L142-I145 PolarHBondContact O-N 3.44Å; L142-I145 VanDerWaalsContact O-N 3.15Å; I145-R147 PolarHBondContact O-N 2.82Å; I145-L148 PolarHBondContact O-N 3.43Å; I145-N149 PolarHBondContact O-N 3.47Å
146	E	86.7	Confident	76.7	Confident	47 Å²	47	52.5 Å²	52.5	22%	0.22	26%	0.258	C	S	.	.	H	α-helix	trans	-61.8	-42.1	179.2	-72.3	178.6	166.1	0	0	111.9	Y111 R114 L142 E143 L148 N149 V153	Y111-E146 HydrophobicContact CE2-CG 4.34Å; R114-E146 WeakPolarHBondContact CD-OE1 3.23Å; R114-E146 IonicContact CZ-OE1 3.2Å; R114-E146 IonicContact NE-OE1 3.37Å; R114-E146 PolarHBondContact NE-OE1 2.99Å; R114-E146 IonicContact NH2-OE1 3.32Å; R114-E146 PolarHBondContact NH2-OE1 3.35Å; L142-E146 WeakPolarHBondContact O-CG 3.47Å; L142-E146 PolarHBondContact O-N 3.42Å; E143-E146 PolarHBondContact O-N 3.06Å; E146-L148 VanDerWaalsContact C-N 3.27Å; E146-L148 PolarHBondContact O-N 3.4Å; E146-N149 CarbonylContact O-C 3.53Å; E146-N149 VanDerWaalsContact O-C 3.3Å; E146-N149 PolarHBondContact O-N 3.36Å; E146-V153 HydrophobicContact CB-CG2 4.34Å; E146-V153 HydrophobicContact CG-CG2 4.48Å
147	R	83.2	Confident	74.3	Confident	164 Å²	164	52.9 Å²	52.9	62%	0.619	27%	0.265	S	S	*	.	H	α-helix	trans	-66.2	-30.1	177.4	-71.9	176	86	142.5	7.3	113.1	E143 L144 I145	E143-R147 WeakPolarHBondContact O-CB 3.34Å; E143-R147 VanDerWaalsContact O-CG 3.22Å; E143-R147 WeakPolarHBondContact O-CG 3.27Å; E143-R147 PolarHBondContact O-N 3.09Å; E143-R147 IonicContact OE1-NH1 2.69Å; E143-R147 PolarHBondContact OE1-NH1 3.44Å; L144-R147 PolarHBondContact O-N 2.78Å; I145-R147 PolarHBondContact O-N 2.82Å
148	L	82.2	Confident	71.8	Confident	3 Å²	3	58.7 Å²	58.7	2%	0.016	30%	0.295	C	S	.	.	H	α-helix	trans	-82.9	-20.6	178.3	-73	170.8	0	0	0	113.1	I79 C82 L101 L144 I145 E146 H215 I217	I79-L148 HydrophobicContact CG2-CB 3.71Å; I79-L148 HydrophobicContact CG2-CD1 3.74Å; I79-L148 HydrophobicContact CG2-CG 4.28Å; C82-L148 HydrophobicContact CB-CD2 3.38Å; C82-L148 VanDerWaalsContact SG-CD2 3.56Å; L101-L148 HydrophobicContact CD1-CD1 4.17Å; L144-L148 HydrophobicContact CD1-CD1 4.08Å; L144-L148 HydrophobicContact CD1-CG 4.44Å; L144-L148 HydrophobicContact CG-CD1 4.06Å; L144-L148 WeakPolarHBondContact O-CB 3.42Å; L144-L148 WeakPolarHBondContact O-CD1 3.41Å; L144-L148 VanDerWaalsContact O-CG 3.25Å; L144-L148 WeakPolarHBondContact O-CG 3.18Å; L144-L148 PolarHBondContact O-N 3.38Å; L144-L148 VanDerWaalsContact O-N 3.11Å; I145-L148 PolarHBondContact O-N 3.43Å; E146-L148 VanDerWaalsContact C-N 3.27Å; E146-L148 PolarHBondContact O-N 3.4Å; L148-H215 HydrophobicContact CD2-CB 4.28Å; L148-I217 HydrophobicContact CD1-CD1 4.26Å; L148-I217 HydrophobicContact CD2-CD1 3.3Å; L148-I217 HydrophobicContact CD2-CG1 4.36Å; L148-I217 HydrophobicContact CG-CD1 3.66Å
149	N	78.7	Confident	69.1	Low	26 Å²	26	62.2 Å²	62.2	14%	0.139	31%	0.313	C	S	.	.			trans	-129.9	65.3	-178.6	-81.6	-25.9	0	0	0	111.5	Y78 I145 E146 Q151 V152	Y78-N149 PolarHBondContact O-ND2 3.35Å; I145-N149 PolarHBondContact O-N 3.47Å; E146-N149 CarbonylContact O-C 3.53Å; E146-N149 VanDerWaalsContact O-C 3.3Å; E146-N149 PolarHBondContact O-N 3.36Å; N149-Q151 PolarHBondContact O-N 2.66Å; N149-Q151 VanDerWaalsContact O-N 3.17Å; N149-V152 HydrophobicContact CB-CG2 3.88Å; N149-V152 WeakPolarHBondContact O-CB 3.48Å; N149-V152 PolarHBondContact O-N 3.34Å; N149-V152 VanDerWaalsContact O-N 3.09Å
150	P	63	Low	66.5	Low	71 Å²	71	65.5 Å²	65.5	46%	0.461	33%	0.331	S	S	.	.	H	α-helix	trans	-62	-28.1	-176	24	-33.6	0	0	0	113.3	V152 V153 E154	P150-V152 PolarHBondContact O-N 3.21Å; P150-V153 WeakPolarHBondContact O-CB 3.27Å; P150-V153 PolarHBondContact O-N 3.31Å; P150-E154 PolarHBondContact O-N 2.87Å
151	Q	60.3	Low	63.9	Low	152 Å²	152	69.8 Å²	69.8	71%	0.71	36%	0.355	S	S	*	.	H	α-helix	trans	-64	-24.1	178.5	-63.5	-161.5	-3.9	0	0	113.4	N149 V153 H155	N149-Q151 PolarHBondContact O-N 2.66Å; N149-Q151 VanDerWaalsContact O-N 3.17Å; Q151-V153 VanDerWaalsContact C-N 3.32Å; Q151-H155 PolarHBondContact O-N 3.15Å
152	V	58.9	Low	61.3	Low	33 Å²	33	74.6 Å²	74.6	20%	0.2	39%	0.385	C	S	.	.	H	α-helix	trans	-72.1	-32.5	176.4	-173	0	0	0	0	110.3	L77 Y111 N149 P150	L77-V152 HydrophobicContact CD1-CG2 4.17Å; Y111-V152 HydrophobicContact CE1-CG1 3.87Å; Y111-V152 HydrophobicContact CE2-CG1 3.87Å; Y111-V152 VanDerWaalsContact CZ-CG1 3.41Å; Y111-V152 WeakPolarHBondContact OH-CG1 3.34Å; N149-V152 HydrophobicContact CB-CG2 3.88Å; N149-V152 WeakPolarHBondContact O-CB 3.48Å; N149-V152 PolarHBondContact O-N 3.34Å; N149-V152 VanDerWaalsContact O-N 3.09Å; P150-V152 PolarHBondContact O-N 3.21Å
153	V	54	Low	58.7	Low	52 Å²	52	78.1 Å²	78.1	32%	0.315	41%	0.411	S	S	.	.	H	α-helix	trans	-72.6	-35.4	178.3	-174.5	0	0	0	0	111.9	E146 P150 Q151 D156 A157	E146-V153 HydrophobicContact CB-CG2 4.34Å; E146-V153 HydrophobicContact CG-CG2 4.48Å; P150-V153 WeakPolarHBondContact O-CB 3.27Å; P150-V153 PolarHBondContact O-N 3.31Å; Q151-V153 VanDerWaalsContact C-N 3.32Å; V153-D156 PolarHBondContact O-N 3.42Å; V153-A157 PolarHBondContact O-N 3.38Å; V153-A157 VanDerWaalsContact O-N 3.12Å
154	E	45.7	Very low	56	Low	134 Å²	134	82.5 Å²	82.5	63%	0.626	43%	0.431	S	S	*	.	H	α-helix	trans	-68.7	-37.2	179.7	-72.8	-173.8	169.2	0	0	113	P150 D156 A157 I158	P150-E154 PolarHBondContact O-N 2.87Å; E154-D156 VanDerWaalsContact C-N 3.26Å; E154-D156 PolarHBondContact O-N 3.29Å; E154-A157 PolarHBondContact O-N 2.97Å; E154-I158 PolarHBondContact O-N 3.25Å
155	H	45.4	Very low	53	Low	145 Å²	145	87.4 Å²	87.4	67%	0.671	47%	0.465	S	S	*	.	H	α-helix	trans	-61.7	-35	175.6	-99	-83.9	0	0	0	112.2	Q151 L159	Q151-H155 PolarHBondContact O-N 3.15Å; H155-L159 WeakPolarHBondContact O-CD1 3.42Å
156	D	43.9	Very low	50.1	Low	53 Å²	53	92.8 Å²	92.8	28%	0.283	50%	0.502	S	S	.	.	H	α-helix	trans	-78.6	-34.1	178.2	-72.8	-21.3	0	0	0	113.1	Y111 R114 V153 E154 I158 L159 N160	Y111-D156 PolarHBondContact OH-OD2 3.11Å; R114-D156 IonicContact NH1-OD2 2.99Å; R114-D156 PolarHBondContact NH1-OD2 3.31Å; V153-D156 PolarHBondContact O-N 3.42Å; E154-D156 VanDerWaalsContact C-N 3.26Å; E154-D156 PolarHBondContact O-N 3.29Å; D156-I158 VanDerWaalsContact C-N 3.3Å; D156-I158 PolarHBondContact O-N 2.98Å; D156-L159 WeakPolarHBondContact O-CB 3.29Å; D156-L159 PolarHBondContact O-N 3.43Å; D156-L159 VanDerWaalsContact O-N 3.14Å; D156-N160 PolarHBondContact O-N 3.21Å; D156-N160 VanDerWaalsContact O-N 3.13Å
157	A	41	Very low	47.3	Very low	52 Å²	52	98.8 Å²	98.8	43%	0.43	54%	0.535	S	S	.	.	H	α-helix	trans	-66.9	-31.3	-179.7	0	0	0	0	0	112.9	V153 E154 L159	V153-A157 PolarHBondContact O-N 3.38Å; V153-A157 VanDerWaalsContact O-N 3.12Å; E154-A157 PolarHBondContact O-N 2.97Å; A157-L159 VanDerWaalsContact C-N 3.33Å
158	I	39.4	Very low	44.7	Very low	123 Å²	123	94 Å²	94	63%	0.631	54%	0.537	S	S	*	.	H	α-helix	trans	-68.1	-36.9	173.5	-63.4	171.4	0	0	0	110.2	E154 D156 T162	E154-I158 PolarHBondContact O-N 3.25Å; D156-I158 VanDerWaalsContact C-N 3.3Å; D156-I158 PolarHBondContact O-N 2.98Å; I158-T162 PolarHBondContact O-N 3.33Å; I158-T162 PolarHBondContact O-OG1 3.47Å
159	L	37.1	Very low	42.3	Very low	75 Å²	75	105.3 Å²	105.3	39%	0.393	58%	0.581	S	S	.	*	H	α-helix	trans	-68.5	-41.9	-179.8	-78.9	158.2	0	0	0	113	L65 H155 D156 A157 N161 T162	L65-L159 HydrophobicContact CD2-CD1 4.34Å; L65-L159 HydrophobicContact CD2-CD2 3.84Å; H155-L159 WeakPolarHBondContact O-CD1 3.42Å; D156-L159 WeakPolarHBondContact O-CB 3.29Å; D156-L159 PolarHBondContact O-N 3.43Å; D156-L159 VanDerWaalsContact O-N 3.14Å; A157-L159 VanDerWaalsContact C-N 3.33Å; L159-N161 VanDerWaalsContact C-N 3.27Å; L159-N161 PolarHBondContact O-N 3.2Å; L159-T162 PolarHBondContact O-N 2.98Å; L159-T162 PolarHBondContact O-OG1 3.14Å
160	N	35.3	Very low	40	Very low	111 Å²	111	107.4 Å²	107.4	59%	0.594	61%	0.609	S	S	*	*	H	α-helix	trans	-69.5	-22.2	-179.9	-74.7	-18.5	0	0	0	113.8	D156 S163	D156-N160 PolarHBondContact O-N 3.21Å; D156-N160 VanDerWaalsContact O-N 3.13Å; N160-S163 PolarHBondContact O-OG 3.35Å
161	N	36.6	Very low	38.3	Very low	123 Å²	123	111.1 Å²	111.1	66%	0.658	63%	0.625	S	S	*	*	H	α-helix	trans	-83	-19.3	174.1	-74.5	-23.4	0	0	0	113	L159	L159-N161 VanDerWaalsContact C-N 3.27Å; L159-N161 PolarHBondContact O-N 3.2Å
162	T	37.1	Very low	37	Very low	103 Å²	103	113.6 Å²	113.6	63%	0.632	63%	0.633	S	S	*	*	H	α-helix	trans	-84	-11.8	174.7	17.1	0	0	0	0	114.4	I158 L159	I158-T162 PolarHBondContact O-N 3.33Å; I158-T162 PolarHBondContact O-OG1 3.47Å; L159-T162 PolarHBondContact O-N 2.98Å; L159-T162 PolarHBondContact O-OG1 3.14Å
163	S	35.9	Very low	35.5	Very low	89 Å²	89	118.3 Å²	118.3	62%	0.622	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	1.3	175.8	66.6	0	0	0	0	114.2	N160	N160-S163 PolarHBondContact O-OG 3.35Å
164	Q	32.6	Very low	34.6	Very low	164 Å²	164	123.1 Å²	123.1	77%	0.766	68%	0.681	S	S	*	*	S	Bend	trans	-113.9	13.4	-178.5	-112	177.4	3.4	0	0	114.9
165	C	27.3	Very low	33.8	Very low	115 Å²	115	123.7 Å²	123.7	78%	0.777	69%	0.689	S	S	*	*			trans	-138.9	76	176	-79.4	0	0	0	0	111.3
166	C	27.6	Very low	33.1	Very low	114 Å²	114	121.9 Å²	121.9	77%	0.77	69%	0.688	S	S	*	*			trans	-145	65.7	160.3	61.1	0	0	0	0	110.9
167	D	28.5	Very low	32.4	Very low	173 Å²	173	125.7 Å²	125.7	93%	0.925	71%	0.708	S	S	*	*			trans	-133.8	112.2	155.1	-89.3	-37.2	0	0	0	107.9
168	G	28.9	Very low	31.7	Very low	64 Å²	64	130.1 Å²	130.1	66%	0.66	73%	0.725	S	S	*	*			trans	131	99.8	163.9	0	0	0	0	0	116.9
169	Y	30.7	Very low	31.4	Very low	239 Å²	239	131.3 Å²	131.3	94%	0.937	74%	0.738	S	S	*	*			trans	82.6	118.9	143.4	-70.2	-86.6	0	0	0	121
170	G	30.9	Very low	30.9	Very low	71 Å²	71	133.5 Å²	133.5	73%	0.732	75%	0.754	S	S	*	*				104.3	85.2	102.2	0	0	0	0	0	116.4	K172	G170-K172 PolarHBondContact O-N 3.29Å
171	N	27.1	Very low	30.7	Very low	149 Å²	149	136.3 Å²	136.3	80%	0.797	77%	0.768	S	S	*	*			trans	-46.4	125.6	161.9	-163.9	8.1	0	0	0	112.8
172	K	33.3	Very low	30.3	Very low	203 Å²	203	138.3 Å²	138.3	88%	0.883	77%	0.773	S	S	*	*			trans	-170.4	127.9	145.4	-105.7	166.4	-170.2	-179.1	0	113	G170	G170-K172 PolarHBondContact O-N 3.29Å
173	N	28.2	Very low	29.8	Very low	132 Å²	132	137 Å²	137	71%	0.706	77%	0.773	S	S	*	*			trans	-63.7	150.3	174.2	-61.1	-32.3	0	0	0	113.5
174	N	33.9	Very low	29.5	Very low	153 Å²	153	140.8 Å²	140.8	82%	0.818	79%	0.786	S	S	*	*				166.1	119	116.7	-81.4	-16.5	0	0	0	113.1
175	N	28.5	Very low	29.3	Very low	147 Å²	147	142.7 Å²	142.7	79%	0.786	79%	0.792	S	S	*	*				45.3	130.1	126.7	-111.8	12.1	0	0	0	124.2
176	T	30.7	Very low	29.4	Very low	106 Å²	106	144.3 Å²	144.3	65%	0.65	80%	0.798	S	S	*	*			trans	84.9	131.1	137.2	26	0	0	0	0	123.7
177	D	29.9	Very low	29.4	Very low	133 Å²	133	148 Å²	148	71%	0.711	80%	0.801	S	S	*	*			trans	94.9	103.5	142.1	-61.6	-23.7	0	0	0	122.7
178	N	27.4	Very low	29.3	Very low	145 Å²	145	146.1 Å²	146.1	78%	0.775	80%	0.795	S	S	*	*				28.8	124.7	124.9	-65.4	-28.4	0	0	0	119.7
179	T	31.4	Very low	29.3	Very low	149 Å²	149	146.8 Å²	146.8	91%	0.914	80%	0.802	S	S	*	*				-164.1	135.7	128.1	11.4	0	0	0	0	113.2
180	V	26.8	Very low	29.2	Very low	120 Å²	120	140.3 Å²	140.3	73%	0.727	79%	0.791	S	S	*	*			trans	-79.8	139	173.8	168.9	0	0	0	0	109.8
181	I	32.2	Very low	28.9	Very low	171 Å²	171	144.4 Å²	144.4	88%	0.877	80%	0.797	S	S	*	*			trans	-133.2	124.9	153.9	-62.9	-172.3	0	0	0	109.9
182	H	28.6	Very low	29.2	Very low	165 Å²	165	142.6 Å²	142.6	76%	0.764	80%	0.796	S	S	*	*			trans	-88.7	145.9	177.1	-110.8	-75.7	0	0	0	112
183	A	26.4	Very low	29	Very low	76 Å²	76	140 Å²	140	63%	0.628	79%	0.792	S	S	*	*			trans	59	133.2	137.7	0	0	0	0	0	121.7
184	N	29.7	Very low	29.1	Very low	168 Å²	168	141.1 Å²	141.1	90%	0.898	80%	0.798	S	S	*	*				-154.3	130.1	118.4	-95.5	-28.1	0	0	0	113.2
185	K	26.5	Very low	29.1	Very low	204 Å²	204	139.5 Å²	139.5	89%	0.887	80%	0.795	S	S	*	*			trans	-86.7	141.4	163.2	-96.8	172.9	173	168.4	0	108
186	T	30.3	Very low	29.2	Very low	148 Å²	148	138.5 Å²	138.5	91%	0.908	79%	0.794	S	S	*	*			trans	-141.1	140.2	150.2	-11.4	0	0	0	0	109.7
187	K	27	Very low	29.2	Very low	193 Å²	193	138 Å²	138	84%	0.839	79%	0.793	S	S	*	*			trans	-125.2	155.9	-169.5	-162.2	-172.4	-173.9	-174.3	0	107.8
188	V	26.2	Very low	29.2	Very low	133 Å²	133	136.5 Å²	136.5	81%	0.806	79%	0.793	S	S	*	*			trans	99.9	124.1	154.4	-168.2	0	0	0	0	118
189	G	28.8	Very low	29.1	Very low	77 Å²	77	134.9 Å²	134.9	79%	0.794	79%	0.788	S	S	*	*			trans	173.4	107.8	156.9	0	0	0	0	0	111.7
190	S	28.7	Very low	29	Very low	103 Å²	103	137.3 Å²	137.3	72%	0.72	78%	0.782	S	S	*	*			trans	-91	162.7	-166.2	-52.3	0	0	0	0	115.7
191	N	25.2	Very low	29	Very low	157 Å²	157	140.9 Å²	140.9	84%	0.84	79%	0.788	S	S	*	*			trans	72.8	115.3	148.8	-68.4	-5.1	0	0	0	121.3
192	S	34.6	Very low	29	Very low	112 Å²	112	139 Å²	139	78%	0.783	78%	0.779	S	S	*	*				-168.3	116.4	110.7	66.2	0	0	0	0	112.9
193	N	27.9	Very low	29.2	Very low	148 Å²	148	135.9 Å²	135.9	79%	0.791	78%	0.776	S	S	*	*			trans	15	120.1	139.2	-56	-26.4	0	0	0	119
194	N	31.5	Very low	30	Very low	156 Å²	156	141.4 Å²	141.4	83%	0.834	79%	0.788	S	S	*	*				-158.2	139.3	123.4	-93.8	-29.5	0	0	0	111	V196	N194-V196 PolarHBondContact O-N 2.91Å
195	P	33.5	Very low	31.2	Very low	118 Å²	118	135.9 Å²	135.9	77%	0.766	76%	0.763	S	S	*	*			trans	-77.7	124.5	-170.3	30.6	-31.8	0	0	0	110.9
196	V	29.2	Very low	33.6	Very low	127 Å²	127	129.6 Å²	129.6	77%	0.77	74%	0.739	S	S	*	*			trans	-68.4	124.9	164.1	179.9	0	0	0	0	107.1	N194 S198	N194-V196 PolarHBondContact O-N 2.91Å; V196-S198 VanDerWaalsContact C-N 3.34Å; V196-S198 PolarHBondContact O-N 3.13Å
197	P	31	Very low	36.3	Very low	96 Å²	96	122.6 Å²	122.6	62%	0.623	70%	0.696	S	S	*	*			trans	-68.5	98.7	171.4	5.2	5.9	0	0	0	108.3
198	S	29.4	Very low	39.4	Very low	101 Å²	101	113.7 Å²	113.7	71%	0.706	66%	0.658	S	S	*	*			trans	-63.4	143.3	158.2	51.2	0	0	0	0	109.2	V196	V196-S198 VanDerWaalsContact C-N 3.34Å; V196-S198 PolarHBondContact O-N 3.13Å
199	T	27.2	Very low	42.6	Very low	110 Å²	110	113.2 Å²	113.2	68%	0.675	64%	0.642	S	S	*	*			trans	99	54.2	170.1	-24.6	0	0	0	0	116.4	K201	T199-K201 HydrophobicContact CG2-CG 3.91Å; T199-K201 PolarHBondContact O-N 3.06Å
200	Y	29	Very low	45.7	Very low	201 Å²	201	114.5 Å²	114.5	79%	0.788	64%	0.636	S	S	*	*			trans	-73.9	101.6	132.7	-44.7	-77.5	0	0	0	105.9	L202	Y200-L202 PolarHBondContact O-N 3.03Å
201	K	26.6	Very low	48.7	Very low	194 Å²	194	112.4 Å²	112.4	84%	0.843	61%	0.614	S	S	*	*			trans	-61.8	91.3	160.8	-87.3	179.9	179.1	178.1	0	106.1	T199 S203	T199-K201 HydrophobicContact CG2-CG 3.91Å; T199-K201 PolarHBondContact O-N 3.06Å; K201-S203 VanDerWaalsContact C-N 3.29Å; K201-S203 PolarHBondContact O-N 3Å
202	L	31.6	Very low	51.8	Low	131 Å²	131	113.2 Å²	113.2	69%	0.686	62%	0.615	S	S	*	*			trans	-63.1	99.5	165.9	-153.5	83.9	0	0	0	105.1	Y200 Q204	Y200-L202 PolarHBondContact O-N 3.03Å; L202-Q204 PolarHBondContact O-N 3.45Å
203	S	32.3	Very low	54.5	Low	100 Å²	100	109 Å²	109	70%	0.699	58%	0.583	S	S	*	*			trans	-45.3	133.8	165.3	54.8	0	0	0	0	107.9	K201 S205	K201-S203 VanDerWaalsContact C-N 3.29Å; K201-S203 PolarHBondContact O-N 3Å; S203-S205 PolarHBondContact O-N 2.94Å
204	Q	42.8	Very low	57.1	Low	192 Å²	192	108.4 Å²	108.4	90%	0.897	57%	0.574	S	S	*	*	S	Bend	trans	-9	104.2	172.9	-77.1	169.8	-17.7	0	0	111.8	L202 N206	L202-Q204 PolarHBondContact O-N 3.45Å; Q204-N206 PolarHBondContact O-N 3.47Å
205	S	55.7	Low	59.7	Low	52 Å²	52	104.4 Å²	104.4	36%	0.364	55%	0.55	S	S	.	.			trans	-51.6	114.7	-165.3	64.8	0	0	0	0	109.7	S203 G207	S203-S205 PolarHBondContact O-N 2.94Å; S205-G207 PolarHBondContact O-N 2.86Å
206	N	77.5	Confident	62.4	Low	73 Å²	73	102.4 Å²	102.4	39%	0.39	53%	0.532	S	S	.	.			trans	-63	13.3	179.3	64.2	-0.5	0	0	0	113.9	Q204 V208 C540	Q204-N206 PolarHBondContact O-N 3.47Å; N206-V208 PolarHBondContact O-N 3.47Å; N206-V208 PolarHBondContact OD1-N 2.86Å; N206-V208 PolarHBondContact OD1-O 3.46Å; N206-C540 PolarHBondContact ND2-O 3.27Å
207	G	86.1	Confident	65.3	Low	0 Å²	0	97.8 Å²	97.8	0%	0	50%	0.503	C	S	.	.	S	Bend	trans	73.8	-4.1	-177.4	0	0	0	0	0	115.3	S205 L519 N520 N521 S524	S205-G207 PolarHBondContact O-N 2.86Å; G207-L519 WeakPolarHBondContact O-CA 3.3Å; G207-N520 PolarHBondContact O-N 3.36Å; G207-N520 VanDerWaalsContact O-N 3.07Å; G207-N520 PolarHBondContact O-OD1 3.34Å; G207-N521 VanDerWaalsContact CA-CG 3.42Å; G207-N521 WeakPolarHBondContact CA-ND2 3.23Å; G207-N521 WeakPolarHBondContact CA-OD1 3.38Å; G207-N521 PolarHBondContact N-ND2 2.93Å; G207-S524 PolarHBondContact O-OG 2.9Å
208	V	93.3	Very high	68.1	Low	6 Å²	6	96.4 Å²	96.4	4%	0.036	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.4	-176.7	-169.9	0	0	0	0	109.3	N206 C517 V518 L519 L535 C540 F542	N206-V208 PolarHBondContact O-N 3.47Å; N206-V208 PolarHBondContact OD1-N 2.86Å; N206-V208 PolarHBondContact OD1-O 3.46Å; V208-C517 HydrophobicContact CG1-CB 3.84Å; V208-V518 CarbonylContact C-O 3.56Å; V208-V518 VanDerWaalsContact CA-O 3.29Å; V208-V518 WeakPolarHBondContact CA-O 3.41Å; V208-L519 HydrophobicContact CG2-CD2 4.44Å; V208-L519 HydrophobicContact CG2-CG 4.29Å; V208-L535 HydrophobicContact CG1-CD1 4.23Å; V208-C540 HydrophobicContact CB-CB 4.34Å; V208-C540 WeakPolarHBondContact CB-O 3.36Å; V208-C540 HydrophobicContact CG1-CB 3.78Å; V208-F542 HydrophobicContact CG2-CD2 4.17Å; V208-F542 HydrophobicContact CG2-CE2 3.69Å
209	R	93.3	Very high	70.6	Confident	123 Å²	123	92.3 Å²	92.3	46%	0.464	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	148.2	-179.5	-61	-176.8	-176.7	178.4	0.4	110.7	F211 C517 V518 C540	R209-F211 PolarHBondContact O-N 3.4Å; R209-C517 CarbonylContact O-C 3.3Å; R209-C517 WeakPolarHBondContact O-CA 2.89Å; R209-C517 VanDerWaalsContact O-CB 3.29Å; R209-C517 WeakPolarHBondContact O-CB 2.99Å; R209-V518 PolarHBondContact N-O 3.24Å; R209-V518 PolarHBondContact O-N 3Å; R209-C540 VanDerWaalsContact C-SG 3.55Å
210	P	93.1	Very high	73.3	Confident	104 Å²	104	90.1 Å²	90.1	68%	0.675	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.6	137.6	172.8	-23.4	32.3	0	0	0	110.7	C540	P210-C540 VanDerWaalsContact CA-SG 3.51Å; P210-C540 VanDerWaalsContact CD-SG 3.57Å
211	F	91.7	Very high	75.9	Confident	59 Å²	59	84.9 Å²	84.9	26%	0.259	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	119.7	172.5	-174.4	-88.7	0	0	0	108.9	P81 R209 L213 I509 A516 V518	P81-F211 HydrophobicContact CB-CE1 3.61Å; P81-F211 HydrophobicContact CB-CZ 3.86Å; P81-F211 HydrophobicContact CG-CE1 4.3Å; P81-F211 HydrophobicContact CG-CZ 4.03Å; R209-F211 PolarHBondContact O-N 3.4Å; F211-L213 HydrophobicContact CD1-CD2 3.82Å; F211-L213 HydrophobicContact CD1-CG 4.27Å; F211-L213 HydrophobicContact CE1-CD2 3.92Å; F211-L213 PolarHBondContact O-N 2.75Å; F211-I509 HydrophobicContact CD1-CG2 4.25Å; F211-I509 HydrophobicContact CD2-CD1 4.35Å; F211-I509 HydrophobicContact CD2-CG1 4.48Å; F211-I509 HydrophobicContact CE1-CD1 4.2Å; F211-I509 HydrophobicContact CE2-CD1 3.87Å; F211-I509 HydrophobicContact CE2-CG1 4.44Å; F211-I509 HydrophobicContact CG-CG2 4.3Å; F211-I509 HydrophobicContact CZ-CD1 3.79Å; F211-A516 HydrophobicContact CB-CB 4Å; F211-A516 HydrophobicContact CD1-CB 4.04Å; F211-A516 HydrophobicContact CG-CB 4.43Å; F211-A516 PolarHBondContact N-O 2.81Å; F211-V518 HydrophobicContact CB-CG2 4.14Å; F211-V518 HydrophobicContact CD2-CB 4.41Å; F211-V518 HydrophobicContact CD2-CG2 3.38Å; F211-V518 HydrophobicContact CE2-CG2 4.12Å; F211-V518 HydrophobicContact CG-CG2 4.07Å
212	M	91	Very high	78.7	Confident	174 Å²	174	78.1 Å²	78.1	86%	0.857	42%	0.415	S	S	*	.			trans	-83.5	107.3	-178	-169.6	-179	-59.6	0	0	109.5
213	L	89.9	Confident	81.3	Confident	23 Å²	23	72 Å²	72	12%	0.12	38%	0.383	C	S	.	.			trans	-73.8	125.4	177.1	-63.2	163.7	0	0	0	109.3	P81 F211 H215 F511 D514 A516	P81-L213 HydrophobicContact CB-CD2 4.39Å; F211-L213 HydrophobicContact CD1-CD2 3.82Å; F211-L213 HydrophobicContact CD1-CG 4.27Å; F211-L213 HydrophobicContact CE1-CD2 3.92Å; F211-L213 PolarHBondContact O-N 2.75Å; L213-H215 VanDerWaalsContact C-N 3.34Å; L213-F511 HydrophobicContact CD2-CD1 4.04Å; L213-F511 HydrophobicContact CD2-CE1 3.63Å; L213-D514 WeakPolarHBondContact CD1-O 3.03Å; L213-A516 HydrophobicContact CD1-CB 3.86Å; L213-A516 HydrophobicContact CD2-CB 3.8Å; L213-A516 HydrophobicContact CG-CB 3.88Å
214	K	84.1	Confident	83.6	Confident	136 Å²	136	67.5 Å²	67.5	59%	0.591	35%	0.353	S	S	*	.	S	Bend	trans	-70	-34.2	179.5	-69.2	-162.9	-172	157.1	0	112.7	E80	E80-K214 VanDerWaalsContact CD-CD 3.47Å; E80-K214 WeakPolarHBondContact OE1-CD 3.21Å; E80-K214 WeakPolarHBondContact OE1-CE 3.48Å; E80-K214 IonicContact OE1-NZ 2.63Å; E80-K214 PolarHBondContact OE1-NZ 2.87Å; E80-K214 WeakPolarHBondContact OE2-CD 3.38Å; E80-K214 IonicContact OE2-NZ 2.81Å; E80-K214 PolarHBondContact OE2-NZ 2.68Å
215	H	86.3	Confident	85.6	Confident	73 Å²	73	64.3 Å²	64.3	34%	0.338	34%	0.341	S	S	.	.			trans	-127.1	135.7	-177.4	-59.3	-66.5	0	0	0	110.3	C82 G83 L148 L213	C82-H215 CarbonylContact C-O 3.56Å; C82-H215 WeakPolarHBondContact CA-O 3.25Å; C82-H215 HydrophobicContact CB-CB 4.18Å; G83-H215 PolarHBondContact N-O 2.83Å; L148-H215 HydrophobicContact CD2-CB 4.28Å; L213-H215 VanDerWaalsContact C-N 3.34Å
216	I	89.7	Confident	87	Confident	76 Å²	76	63.7 Å²	63.7	39%	0.39	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	113.2	169.9	-63.2	170.9	0	0	0	106.8	G83 R85 D514	G83-I216 WeakPolarHBondContact O-CA 3.2Å; R85-I216 HydrophobicContact CG-CG2 3.45Å; R85-I216 VanDerWaalsContact CG-CG2 3.45Å; I216-D514 HydrophobicContact CD1-CB 4.39Å; I216-D514 HydrophobicContact CG2-CB 3.89Å
217	I	89.8	Confident	87.4	Confident	29 Å²	29	60.3 Å²	60.3	15%	0.149	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	144.3	-173.8	-60.6	-174.2	0	0	0	109.8	G83 F84 R85 L144 L148	G83-I217 PolarHBondContact O-N 3.23Å; F84-I217 CarbonylContact C-O 3.56Å; F84-I217 VanDerWaalsContact CA-O 3.27Å; F84-I217 WeakPolarHBondContact CA-O 3.44Å; F84-I217 HydrophobicContact CD1-CB 4.1Å; F84-I217 HydrophobicContact CD1-CG2 4.43Å; F84-I217 HydrophobicContact CE1-CB 4.12Å; F84-I217 HydrophobicContact CE1-CG2 4.29Å; R85-I217 PolarHBondContact N-O 3.17Å; L144-I217 HydrophobicContact CD1-CD1 3.68Å; L144-I217 HydrophobicContact CD1-CG2 3.89Å; L148-I217 HydrophobicContact CD1-CD1 4.26Å; L148-I217 HydrophobicContact CD2-CD1 3.3Å; L148-I217 HydrophobicContact CD2-CG1 4.36Å; L148-I217 HydrophobicContact CG-CD1 3.66Å
218	T	89.5	Confident	87.3	Confident	67 Å²	67	66.7 Å²	66.7	41%	0.411	35%	0.345	S	S	.	.			trans	-95.9	114.7	163.6	-58.9	0	0	0	0	107.7	R85 V87 N220	R85-T218 WeakPolarHBondContact CD-OG1 3.49Å; V87-T218 HydrophobicContact CG2-CG2 3.62Å; T218-N220 PolarHBondContact O-N 2.85Å
219	P	82.2	Confident	86.6	Confident	15 Å²	15	66.8 Å²	66.8	10%	0.097	35%	0.346	C	S	.	.			trans	-54.7	141.4	173.5	-24.3	34	0	0	0	110.8	F84 L93 L97 S221 F223	F84-P219 HydrophobicContact CB-CG 4.28Å; F84-P219 HydrophobicContact CD1-CG 3.61Å; F84-P219 HydrophobicContact CE1-CG 4.28Å; F84-P219 HydrophobicContact CG-CG 4.17Å; L93-P219 HydrophobicContact CD2-CB 4.39Å; L97-P219 HydrophobicContact CD1-CB 4.01Å; L97-P219 HydrophobicContact CD1-CG 4.03Å; P219-S221 PolarHBondContact O-N 2.7Å; P219-F223 HydrophobicContact CB-CD2 4.17Å; P219-F223 HydrophobicContact CB-CE2 4.5Å
220	N	83.8	Confident	85.7	Confident	64 Å²	64	65.7 Å²	65.7	34%	0.342	35%	0.349	S	S	.	.			trans	-59.5	133.8	179.4	-168.1	-19.4	0	0	0	110	Q140 T218 V222 F223	Q140-N220 PolarHBondContact OE1-ND2 2.84Å; T218-N220 PolarHBondContact O-N 2.85Å; N220-V222 PolarHBondContact O-N 2.87Å; N220-V222 WeakPolarHBondContact OD1-CG2 3.37Å; N220-V222 PolarHBondContact OD1-N 2.68Å; N220-V222 VanDerWaalsContact OD1-N 3.13Å; N220-F223 HydrophobicContact CB-CD2 4.25Å; N220-F223 HydrophobicContact CB-CE2 4.39Å; N220-F223 VanDerWaalsContact O-CD2 3.27Å; N220-F223 WeakPolarHBondContact O-CD2 3.1Å; N220-F223 PolarHBondContact O-N 2.66Å
221	S	82.7	Confident	84.3	Confident	92 Å²	92	64.2 Å²	64.2	64%	0.643	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-20.5	176.8	51.5	0	0	0	0	112.8	P219 F223 G224	P219-S221 PolarHBondContact O-N 2.7Å; S221-F223 PolarHBondContact O-N 3Å; S221-G224 PolarHBondContact O-N 3.05Å; S221-G224 VanDerWaalsContact O-N 3.1Å
222	V	85.8	Confident	83.5	Confident	51 Å²	51	62.7 Å²	62.7	31%	0.309	34%	0.339	S	S	.	.	H	α-helix	trans	-56	-31.2	174.2	174.3	0	0	0	0	112.5	Q140 N220 G224 N225 L226	Q140-V222 HydrophobicContact CG-CG1 4.42Å; N220-V222 PolarHBondContact O-N 2.87Å; N220-V222 WeakPolarHBondContact OD1-CG2 3.37Å; N220-V222 PolarHBondContact OD1-N 2.68Å; N220-V222 VanDerWaalsContact OD1-N 3.13Å; V222-G224 PolarHBondContact O-N 3.16Å; V222-N225 PolarHBondContact O-N 2.98Å; V222-N225 VanDerWaalsContact O-N 3.08Å; V222-L226 HydrophobicContact CG1-CD1 3.75Å; V222-L226 HydrophobicContact CG1-CG 3.85Å; V222-L226 WeakPolarHBondContact O-CG 3.18Å; V222-L226 PolarHBondContact O-N 3.04Å
223	F	85.7	Confident	83	Confident	4 Å²	4	60.6 Å²	60.6	2%	0.018	33%	0.325	C	S	.	.	H	α-helix	trans	-56	-37.8	175.6	-78.6	-72	0	0	0	112.5	L93 L97 L137 Q140 L141 P219 N220 S221 N225 L226 L227	L93-F223 HydrophobicContact CD1-CB 4.4Å; L93-F223 HydrophobicContact CD2-CB 3.71Å; L93-F223 HydrophobicContact CD2-CG 4.31Å; L97-F223 HydrophobicContact CD2-CE1 4.16Å; L97-F223 HydrophobicContact CD2-CZ 4.28Å; L137-F223 HydrophobicContact CD1-CD1 3.73Å; L137-F223 HydrophobicContact CD1-CE1 3.64Å; Q140-F223 HydrophobicContact CB-CE1 4.07Å; Q140-F223 HydrophobicContact CB-CE2 4.38Å; Q140-F223 HydrophobicContact CB-CZ 3.79Å; L141-F223 HydrophobicContact CD2-CE1 4.15Å; L141-F223 HydrophobicContact CD2-CZ 4.13Å; L141-F223 HydrophobicContact CG-CE1 4.39Å; P219-F223 HydrophobicContact CB-CD2 4.17Å; P219-F223 HydrophobicContact CB-CE2 4.5Å; N220-F223 HydrophobicContact CB-CD2 4.25Å; N220-F223 HydrophobicContact CB-CE2 4.39Å; N220-F223 VanDerWaalsContact O-CD2 3.27Å; N220-F223 WeakPolarHBondContact O-CD2 3.1Å; N220-F223 PolarHBondContact O-N 2.66Å; S221-F223 PolarHBondContact O-N 3Å; F223-N225 VanDerWaalsContact C-N 3.34Å; F223-N225 PolarHBondContact O-N 3.32Å; F223-L226 PolarHBondContact O-N 3.14Å; F223-L227 WeakPolarHBondContact O-CB 3.42Å; F223-L227 WeakPolarHBondContact O-CG 3.2Å; F223-L227 PolarHBondContact O-N 3.12Å
224	G	81	Confident	82.7	Confident	5 Å²	5	60.1 Å²	60.1	5%	0.052	32%	0.323	C	S	.	.	H	α-helix	trans	-61.7	-43.6	177.8	0	0	0	0	0	112.1	S221 V222 H228 M229	S221-G224 PolarHBondContact O-N 3.05Å; S221-G224 VanDerWaalsContact O-N 3.1Å; V222-G224 PolarHBondContact O-N 3.16Å; G224-H228 PolarHBondContact O-N 3.01Å; G224-M229 PolarHBondContact O-N 3.12Å
225	N	84.9	Confident	82.9	Confident	124 Å²	124	53.7 Å²	53.7	66%	0.663	30%	0.295	S	S	*	.	H	α-helix	trans	-68.6	-46.7	179.3	-66.1	-9.9	0	0	0	111.5	V222 F223 L227 H228	V222-N225 PolarHBondContact O-N 2.98Å; V222-N225 VanDerWaalsContact O-N 3.08Å; F223-N225 VanDerWaalsContact C-N 3.34Å; F223-N225 PolarHBondContact O-N 3.32Å; N225-L227 VanDerWaalsContact C-N 3.26Å; N225-L227 PolarHBondContact O-N 3.19Å; N225-H228 PolarHBondContact O-CD2 3.21Å; N225-H228 PolarHBondContact O-N 3.46Å
226	L	86.5	Confident	83.1	Confident	39 Å²	39	50.9 Å²	50.9	20%	0.204	28%	0.282	C	S	.	.	H	α-helix	trans	-62.3	-33.6	180	-68	178	0	0	0	112.6	P136 L137 Q140 V222 F223	P136-L226 HydrophobicContact CB-CD1 4.15Å; P136-L226 HydrophobicContact CB-CD2 3.76Å; P136-L226 HydrophobicContact CG-CD2 3.84Å; L137-L226 HydrophobicContact CB-CD1 4.31Å; L137-L226 HydrophobicContact CD1-CD1 4.36Å; Q140-L226 HydrophobicContact CG-CD1 4.25Å; V222-L226 HydrophobicContact CG1-CD1 3.75Å; V222-L226 HydrophobicContact CG1-CG 3.85Å; V222-L226 WeakPolarHBondContact O-CG 3.18Å; V222-L226 PolarHBondContact O-N 3.04Å; F223-L226 PolarHBondContact O-N 3.14Å
227	L	84.8	Confident	83.3	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.01	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	3.8	-178.6	-57.8	172.8	0	0	0	113.1	L93 L137 F223 N225 M229 L244	L93-L227 HydrophobicContact CD1-CD1 3.89Å; L137-L227 HydrophobicContact CD1-CD2 4.5Å; L137-L227 HydrophobicContact CD2-CD2 4.26Å; F223-L227 WeakPolarHBondContact O-CB 3.42Å; F223-L227 WeakPolarHBondContact O-CG 3.2Å; F223-L227 PolarHBondContact O-N 3.12Å; N225-L227 VanDerWaalsContact C-N 3.26Å; N225-L227 PolarHBondContact O-N 3.19Å; L227-M229 HydrophobicContact CB-CG 3.86Å; L227-M229 VanDerWaalsContact O-CE 3.25Å; L227-M229 WeakPolarHBondContact O-CE 3.48Å; L227-M229 WeakPolarHBondContact O-CG 3.21Å; L227-M229 PolarHBondContact O-N 3.35Å; L227-L244 HydrophobicContact CD1-CD2 3.87Å; L227-L244 HydrophobicContact CD1-CG 3.94Å; L227-L244 HydrophobicContact CD2-CD2 3.9Å; L227-L244 HydrophobicContact CD2-CG 3.95Å; L227-L244 HydrophobicContact CG-CD2 4.48Å
228	H	84.3	Confident	83.6	Confident	135 Å²	135	46 Å²	46	63%	0.625	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	37.1	-177.4	-60.4	-155.7	0	0	0	112.3	R3 G224 N225	R3-H228 PolarHBondContact NH1-O 2.96Å; G224-H228 PolarHBondContact O-N 3.01Å; N225-H228 PolarHBondContact O-CD2 3.21Å; N225-H228 PolarHBondContact O-N 3.46Å
229	M	79.3	Confident	83.7	Confident	8 Å²	8	43.7 Å²	43.7	4%	0.039	24%	0.242	C	C	.	.			trans	-105.7	136.3	-176.4	-65.9	-63.5	145.6	0	0	111.2	F92 G224 L227 T231 E235 E239 Y243	F92-M229 HydrophobicContact CE2-CB 4.43Å; F92-M229 HydrophobicContact CE2-CG 4.31Å; F92-M229 HydrophobicContact CZ-CB 4.42Å; G224-M229 PolarHBondContact O-N 3.12Å; L227-M229 HydrophobicContact CB-CG 3.86Å; L227-M229 VanDerWaalsContact O-CE 3.25Å; L227-M229 WeakPolarHBondContact O-CE 3.48Å; L227-M229 WeakPolarHBondContact O-CG 3.21Å; L227-M229 PolarHBondContact O-N 3.35Å; M229-T231 PolarHBondContact O-N 2.74Å; M229-E235 HydrophobicContact CB-CG 4.38Å; M229-E235 HydrophobicContact SD-CB 4.01Å; M229-E235 HydrophobicContact SD-CG 3.87Å; M229-E239 HydrophobicContact CE-CG 3.97Å; M229-Y243 HydrophobicContact CE-CD2 3.29Å; M229-Y243 HydrophobicContact CE-CE2 3.53Å; M229-Y243 HydrophobicContact CE-CG 4.25Å
230	N	72.5	Confident	84.3	Confident	100 Å²	100	43 Å²	43	54%	0.535	24%	0.238	S	C	.	.			trans	-82.4	93.6	-178.1	-74	-32.9	0	0	0	110.8	G232 F233 E235	N230-G232 PolarHBondContact O-N 3.45Å; N230-G232 VanDerWaalsContact O-N 3.12Å; N230-F233 HydrophobicContact CB-CD2 4.02Å; N230-F233 PolarHBondContact O-N 3.13Å; N230-F233 VanDerWaalsContact O-N 3.09Å; N230-E235 PolarHBondContact N-OE1 3.21Å
231	T	65.3	Low	84.9	Confident	72 Å²	72	40 Å²	40	44%	0.442	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	120.8	174.3	66	0	0	0	0	110.4	M229	M229-T231 PolarHBondContact O-N 2.74Å
232	G	73.5	Confident	85.4	Confident	28 Å²	28	38 Å²	38	29%	0.289	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	122.4	-33.3	-171.2	0	0	0	0	0	114.2	R88 N89 N230	R88-G232 WeakPolarHBondContact O-CA 3.41Å; R88-G232 PolarHBondContact O-N 2.89Å; R88-G232 VanDerWaalsContact O-N 3.11Å; N89-G232 PolarHBondContact ND2-O 2.94Å; N230-G232 PolarHBondContact O-N 3.45Å; N230-G232 VanDerWaalsContact O-N 3.12Å
233	F	80.5	Confident	85.8	Confident	129 Å²	129	39.4 Å²	39.4	57%	0.566	21%	0.206	S	C	*	.	S	Bend	trans	-101.7	159	177.5	-65.3	-82.3	0	0	0	111.2	N230	N230-F233 HydrophobicContact CB-CD2 4.02Å; N230-F233 PolarHBondContact O-N 3.13Å; N230-F233 VanDerWaalsContact O-N 3.09Å
234	Q	83.4	Confident	86.3	Confident	14 Å²	14	39.2 Å²	39.2	7%	0.065	21%	0.205	C	C	.	.			trans	-74.1	132	165.4	-69.1	-158.6	0.5	0	0	110.1	N89 G486	N89-Q234 HydrophobicContact CB-CG 4.19Å; Q234-G486 PolarHBondContact NE2-O 3.25Å; Q234-G486 VanDerWaalsContact OE1-CA 3.3Å
235	E	88.7	Confident	87	Confident	1 Å²	1	39 Å²	39	1%	0.005	20%	0.203	C	C	.	.			trans	-118.8	164.9	175.4	-57.5	-67.8	-171.3	0	0	110.1	R3 F92 M229 N230 A237 Y488	R3-E235 WeakPolarHBondContact CB-OE2 3.47Å; F92-E235 HydrophobicContact CD1-CB 4Å; F92-E235 HydrophobicContact CD2-CB 3.97Å; F92-E235 HydrophobicContact CE1-CB 3.83Å; F92-E235 HydrophobicContact CE1-CG 3.94Å; F92-E235 HydrophobicContact CE2-CB 3.81Å; F92-E235 HydrophobicContact CE2-CG 4.19Å; F92-E235 HydrophobicContact CG-CB 4.08Å; F92-E235 HydrophobicContact CZ-CB 3.74Å; F92-E235 HydrophobicContact CZ-CG 3.72Å; M229-E235 HydrophobicContact CB-CG 4.38Å; M229-E235 HydrophobicContact SD-CB 4.01Å; M229-E235 HydrophobicContact SD-CG 3.87Å; N230-E235 PolarHBondContact N-OE1 3.21Å; E235-A237 PolarHBondContact O-N 2.93Å; E235-Y488 WeakPolarHBondContact O-CE2 3.46Å
236	D	91.3	Very high	87.4	Confident	14 Å²	14	35.3 Å²	35.3	8%	0.075	19%	0.185	C	C	.	.			trans	-76	123.4	177.2	-164.1	-15.1	0	0	0	111.2	F4 A238 E239 C240 Y583	F4-D236 HydrophobicContact CD2-CB 3.35Å; F4-D236 HydrophobicContact CE2-CB 3.46Å; F4-D236 VanDerWaalsContact CE2-CB 3.46Å; F4-D236 VanDerWaalsContact CE2-OD2 3.29Å; F4-D236 WeakPolarHBondContact CE2-OD2 3.37Å; F4-D236 HydrophobicContact CG-CB 4.09Å; F4-D236 HydrophobicContact CZ-CB 4.29Å; D236-A238 PolarHBondContact O-N 2.96Å; D236-A238 WeakPolarHBondContact OD1-CB 3.43Å; D236-A238 PolarHBondContact OD1-N 3.38Å; D236-E239 HydrophobicContact CB-CB 3.79Å; D236-E239 PolarHBondContact O-N 2.83Å; D236-C240 WeakPolarHBondContact O-CB 3.38Å; D236-C240 PolarHBondContact O-N 3.41Å; D236-Y583 WeakPolarHBondContact OD1-CE1 3.44Å; D236-Y583 VanDerWaalsContact OD1-CZ 3.22Å; D236-Y583 PolarHBondContact OD1-OH 3.13Å; D236-Y583 PolarHBondContact OD2-OH 3.48Å
237	A	94.2	Very high	87.8	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.6	-31.4	171.5	0	0	0	0	0	113	F92 S96 E235 L241 I476 Y488 Y583 I584	F92-A237 HydrophobicContact CB-CB 4.15Å; S96-A237 PolarHBondContact OG-O 3.08Å; E235-A237 PolarHBondContact O-N 2.93Å; A237-L241 VanDerWaalsContact O-CB 3.32Å; A237-L241 WeakPolarHBondContact O-CB 3.3Å; A237-L241 PolarHBondContact O-N 2.9Å; A237-I476 HydrophobicContact CB-CG2 4.38Å; A237-Y488 HydrophobicContact CB-CD1 3.53Å; A237-Y488 HydrophobicContact CB-CD2 4.42Å; A237-Y488 HydrophobicContact CB-CE1 3.35Å; A237-Y488 HydrophobicContact CB-CE2 4.29Å; A237-Y488 HydrophobicContact CB-CG 4.05Å; A237-Y488 PolarHBondContact N-OH 2.85Å; A237-Y583 HydrophobicContact CB-CE1 4.42Å; A237-I584 HydrophobicContact CB-CD1 4.19Å
238	A	94.9	Very high	88.2	Confident	3 Å²	3	36.1 Å²	36.1	3%	0.025	19%	0.187	C	C	.	.	H	α-helix	trans	-69.4	-43.5	178.6	0	0	0	0	0	111	D236 L241 T242 M347 Q402 Y583 I584	D236-A238 PolarHBondContact O-N 2.96Å; D236-A238 WeakPolarHBondContact OD1-CB 3.43Å; D236-A238 PolarHBondContact OD1-N 3.38Å; A238-L241 PolarHBondContact O-N 2.66Å; A238-T242 PolarHBondContact O-N 3.42Å; A238-T242 PolarHBondContact O-OG1 3.36Å; A238-T242 VanDerWaalsContact O-OG1 3.08Å; A238-M347 HydrophobicContact CB-SD 4.18Å; A238-Q402 HydrophobicContact CB-CG 3.93Å; A238-Y583 HydrophobicContact CB-CE1 3.9Å; A238-I584 HydrophobicContact CB-CD1 3.96Å; A238-I584 HydrophobicContact CB-CG1 4.4Å
239	E	92.2	Very high	88.7	Confident	18 Å²	18	29.8 Å²	29.8	8%	0.084	16%	0.158	C	C	.	.	H	α-helix	trans	-63.8	-46.8	174.5	-175.1	178.7	-153	0	0	111.4	R3 L7 M229 D236 L241 T242 Y243	R3-E239 IonicContact CZ-OE1 2.67Å; R3-E239 VanDerWaalsContact NE-CD 3.34Å; R3-E239 IonicContact NE-OE1 3.3Å; R3-E239 PolarHBondContact NE-OE1 3.1Å; R3-E239 IonicContact NE-OE2 2.72Å; R3-E239 PolarHBondContact NE-OE2 3.47Å; R3-E239 IonicContact NH2-OE1 3.27Å; R3-E239 PolarHBondContact NH2-OE1 3.03Å; L7-E239 HydrophobicContact CD1-CG 4.34Å; L7-E239 WeakPolarHBondContact CD1-OE1 3.12Å; L7-E239 WeakPolarHBondContact CD1-OE2 3.26Å; M229-E239 HydrophobicContact CE-CG 3.97Å; D236-E239 HydrophobicContact CB-CB 3.79Å; D236-E239 PolarHBondContact O-N 2.83Å; E239-L241 VanDerWaalsContact C-N 3.28Å; E239-L241 PolarHBondContact O-N 2.75Å; E239-T242 WeakPolarHBondContact O-CB 3.41Å; E239-T242 PolarHBondContact O-N 3.33Å; E239-T242 VanDerWaalsContact O-N 3.14Å; E239-Y243 HydrophobicContact CG-CD2 3.73Å; E239-Y243 HydrophobicContact CG-CE2 3.53Å; E239-Y243 VanDerWaalsContact O-CD2 3.27Å; E239-Y243 WeakPolarHBondContact O-CD2 3.42Å; E239-Y243 PolarHBondContact O-N 3.15Å
240	C	94.5	Very high	89.3	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-55.4	-44.3	175.9	173.4	0	0	0	0	111.8	F92 D236 Y243 L244	F92-C240 HydrophobicContact CD2-CB 3.78Å; F92-C240 HydrophobicContact CE2-CB 4.27Å; D236-C240 WeakPolarHBondContact O-CB 3.38Å; D236-C240 PolarHBondContact O-N 3.41Å; C240-Y243 PolarHBondContact O-N 2.91Å; C240-L244 WeakPolarHBondContact O-CG 3.43Å; C240-L244 PolarHBondContact O-N 3.47Å
241	L	96	Very high	90.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-68.5	-36.9	178.3	-172.9	58.1	0	0	0	112.4	L99 L100 A237 A238 E239 L244 L245 M347 I400 I584	L99-L241 HydrophobicContact CD1-CD2 4.09Å; L99-L241 HydrophobicContact CD2-CD1 4.31Å; L99-L241 HydrophobicContact CD2-CD2 4.2Å; L100-L241 HydrophobicContact CD1-CD1 4.28Å; L100-L241 HydrophobicContact CD2-CD1 3.93Å; L100-L241 HydrophobicContact CG-CD1 4.08Å; A237-L241 VanDerWaalsContact O-CB 3.32Å; A237-L241 WeakPolarHBondContact O-CB 3.3Å; A237-L241 PolarHBondContact O-N 2.9Å; A238-L241 PolarHBondContact O-N 2.66Å; E239-L241 VanDerWaalsContact C-N 3.28Å; E239-L241 PolarHBondContact O-N 2.75Å; L241-L244 PolarHBondContact O-N 3.16Å; L241-L245 HydrophobicContact CD1-CD1 4.28Å; L241-L245 HydrophobicContact CD1-CG 4.32Å; L241-L245 HydrophobicContact CG-CD1 4.1Å; L241-L245 WeakPolarHBondContact O-CG 3.35Å; L241-L245 PolarHBondContact O-N 3.11Å; L241-M347 HydrophobicContact CB-CE 3.99Å; L241-M347 HydrophobicContact CD2-CE 3.71Å; L241-M347 HydrophobicContact CG-CE 3.95Å; L241-I400 HydrophobicContact CD2-CD1 4.35Å; L241-I400 HydrophobicContact CD2-CG2 4.18Å; L241-I584 HydrophobicContact CD2-CD1 4.42Å; L241-I584 HydrophobicContact CD2-CG2 4.22Å
242	T	94.6	Very high	91.4	Very high	50 Å²	50	24.7 Å²	24.7	31%	0.307	13%	0.126	S	C	.	.	H	α-helix	trans	-59.5	-49.4	171.7	-62.8	0	0	0	0	111	A238 E239 L244 L245 T246	A238-T242 PolarHBondContact O-N 3.42Å; A238-T242 PolarHBondContact O-OG1 3.36Å; A238-T242 VanDerWaalsContact O-OG1 3.08Å; E239-T242 WeakPolarHBondContact O-CB 3.41Å; E239-T242 PolarHBondContact O-N 3.33Å; E239-T242 VanDerWaalsContact O-N 3.14Å; T242-L244 VanDerWaalsContact C-N 3.35Å; T242-L244 PolarHBondContact O-N 3.06Å; T242-L245 PolarHBondContact O-N 3.12Å; T242-T246 WeakPolarHBondContact O-CB 3.4Å; T242-T246 PolarHBondContact O-N 2.98Å; T242-T246 PolarHBondContact O-OG1 3.46Å; T242-T246 VanDerWaalsContact O-OG1 3.12Å
243	Y	94.3	Very high	92.2	Very high	82 Å²	82	23.4 Å²	23.4	32%	0.322	11%	0.113	S	C	.	.	H	α-helix	trans	-60.6	-42.8	177.3	-83	-68.8	0	0	0	112.8	R3 M229 E239 C240 L245 Q247	R3-Y243 VanDerWaalsContact NH2-CZ 3.28Å; R3-Y243 PolarHBondContact NH2-OH 3.35Å; M229-Y243 HydrophobicContact CE-CD2 3.29Å; M229-Y243 HydrophobicContact CE-CE2 3.53Å; M229-Y243 HydrophobicContact CE-CG 4.25Å; E239-Y243 HydrophobicContact CG-CD2 3.73Å; E239-Y243 HydrophobicContact CG-CE2 3.53Å; E239-Y243 VanDerWaalsContact O-CD2 3.27Å; E239-Y243 WeakPolarHBondContact O-CD2 3.42Å; E239-Y243 PolarHBondContact O-N 3.15Å; C240-Y243 PolarHBondContact O-N 2.91Å; Y243-L245 PolarHBondContact O-N 3.5Å; Y243-Q247 VanDerWaalsContact O-CB 3.24Å; Y243-Q247 WeakPolarHBondContact O-CB 3.4Å; Y243-Q247 PolarHBondContact O-N 3.21Å
244	L	95.9	Very high	92.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-57.5	-49.9	175.5	-78.5	164.8	0	0	0	111.1	L100 L137 L227 C240 L241 T242 L248	L100-L244 HydrophobicContact CD1-CB 4.09Å; L100-L244 HydrophobicContact CD1-CD1 4.03Å; L100-L244 HydrophobicContact CD1-CG 4.47Å; L137-L244 HydrophobicContact CD1-CD2 3.92Å; L137-L244 HydrophobicContact CD2-CD2 4.03Å; L137-L244 HydrophobicContact CG-CD2 4.48Å; L227-L244 HydrophobicContact CD1-CD2 3.87Å; L227-L244 HydrophobicContact CD1-CG 3.94Å; L227-L244 HydrophobicContact CD2-CD2 3.9Å; L227-L244 HydrophobicContact CD2-CG 3.95Å; L227-L244 HydrophobicContact CG-CD2 4.48Å; C240-L244 WeakPolarHBondContact O-CG 3.43Å; C240-L244 PolarHBondContact O-N 3.47Å; L241-L244 PolarHBondContact O-N 3.16Å; T242-L244 VanDerWaalsContact C-N 3.35Å; T242-L244 PolarHBondContact O-N 3.06Å; L244-L248 VanDerWaalsContact O-CB 3.28Å; L244-L248 WeakPolarHBondContact O-CB 3.29Å; L244-L248 WeakPolarHBondContact O-CD1 3.34Å; L244-L248 WeakPolarHBondContact O-CG 3.21Å; L244-L248 PolarHBondContact O-N 2.9Å
245	L	96	Very high	92.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-69.3	-41.9	-176.9	-69.2	170.1	0	0	0	112.5	L100 L241 T242 Y243 H249 I303 F307 F346 I400	L100-L245 HydrophobicContact CD2-CD2 3.99Å; L241-L245 HydrophobicContact CD1-CD1 4.28Å; L241-L245 HydrophobicContact CD1-CG 4.32Å; L241-L245 HydrophobicContact CG-CD1 4.1Å; L241-L245 WeakPolarHBondContact O-CG 3.35Å; L241-L245 PolarHBondContact O-N 3.11Å; T242-L245 PolarHBondContact O-N 3.12Å; Y243-L245 PolarHBondContact O-N 3.5Å; L245-H249 VanDerWaalsContact O-CB 3.23Å; L245-H249 WeakPolarHBondContact O-CB 3.49Å; L245-H249 PolarHBondContact O-N 3.24Å; L245-I303 HydrophobicContact CD2-CG2 4.39Å; L245-F307 HydrophobicContact CD2-CD2 3.92Å; L245-F307 HydrophobicContact CD2-CE2 4.11Å; L245-F307 HydrophobicContact CD2-CG 4.15Å; L245-F346 HydrophobicContact CB-CB 4.4Å; L245-F346 HydrophobicContact CB-CD2 4.31Å; L245-F346 HydrophobicContact CB-CG 4.24Å; L245-F346 HydrophobicContact CD1-CB 4.02Å; L245-I400 HydrophobicContact CD1-CD1 3.54Å
246	T	93.6	Very high	92.1	Very high	47 Å²	47	21.1 Å²	21.1	29%	0.288	12%	0.115	S	C	.	.	H	α-helix	trans	-64.9	-47.8	177.9	-60.9	0	0	0	0	111.5	T242 L248 H249 E250	T242-T246 WeakPolarHBondContact O-CB 3.4Å; T242-T246 PolarHBondContact O-N 2.98Å; T242-T246 PolarHBondContact O-OG1 3.46Å; T242-T246 VanDerWaalsContact O-OG1 3.12Å; T246-L248 PolarHBondContact O-N 3.1Å; T246-H249 VanDerWaalsContact O-CB 3.31Å; T246-H249 WeakPolarHBondContact O-CB 3.24Å; T246-H249 PolarHBondContact O-N 2.92Å; T246-H249 VanDerWaalsContact O-N 3.13Å; T246-E250 WeakPolarHBondContact CG2-OE1 3.27Å; T246-E250 WeakPolarHBondContact O-CG 3.27Å; T246-E250 PolarHBondContact O-N 3.33Å
247	Q	93.2	Very high	91.6	Very high	58 Å²	58	24.5 Å²	24.5	27%	0.271	14%	0.136	S	C	.	.	H	α-helix	trans	-66.3	-40.7	-179.7	-171	69	65	0	0	111.4	L137 Y243 H249 E250 E251	L137-Q247 HydrophobicContact CB-CG 4.04Å; L137-Q247 HydrophobicContact CD2-CB 3.63Å; L137-Q247 HydrophobicContact CD2-CG 3.79Å; Y243-Q247 VanDerWaalsContact O-CB 3.24Å; Y243-Q247 WeakPolarHBondContact O-CB 3.4Å; Y243-Q247 PolarHBondContact O-N 3.21Å; Q247-H249 VanDerWaalsContact C-N 3.29Å; Q247-H249 PolarHBondContact O-N 3.38Å; Q247-E250 PolarHBondContact O-N 3.08Å; Q247-E251 HydrophobicContact CG-CG 4.45Å; Q247-E251 WeakPolarHBondContact O-CB 3.11Å; Q247-E251 VanDerWaalsContact O-CG 3.25Å; Q247-E251 WeakPolarHBondContact O-CG 3.46Å; Q247-E251 PolarHBondContact O-N 3.23Å
248	L	94.7	Very high	90.7	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.7	-37.6	173	-71.3	170.6	0	0	0	111.8	L100 L110 L137 L141 L244 T246 M252 I303	L100-L248 HydrophobicContact CD1-CD1 4.41Å; L110-L248 HydrophobicContact CD2-CD2 4.23Å; L137-L248 HydrophobicContact CD2-CD2 4.05Å; L137-L248 HydrophobicContact CD2-CG 3.8Å; L137-L248 HydrophobicContact CG-CD2 3.99Å; L137-L248 HydrophobicContact CG-CG 4.29Å; L141-L248 HydrophobicContact CD1-CD1 3.66Å; L141-L248 HydrophobicContact CD1-CD2 3.82Å; L141-L248 HydrophobicContact CD1-CG 4.27Å; L244-L248 VanDerWaalsContact O-CB 3.28Å; L244-L248 WeakPolarHBondContact O-CB 3.29Å; L244-L248 WeakPolarHBondContact O-CD1 3.34Å; L244-L248 WeakPolarHBondContact O-CG 3.21Å; L244-L248 PolarHBondContact O-N 2.9Å; T246-L248 PolarHBondContact O-N 3.1Å; L248-M252 WeakPolarHBondContact O-CB 3.22Å; L248-M252 VanDerWaalsContact O-CG 3.22Å; L248-M252 WeakPolarHBondContact O-CG 3.09Å; L248-M252 PolarHBondContact O-N 3.03Å; L248-I303 HydrophobicContact CB-CD1 4.08Å; L248-I303 HydrophobicContact CB-CG1 3.9Å
249	H	94.1	Very high	89.7	Confident	2 Å²	2	30.8 Å²	30.8	1%	0.009	17%	0.169	C	C	.	.	H	α-helix	trans	-59.7	-51	177	170.5	46.5	0	0	0	111.7	L245 T246 Q247 G253 L296 D297 G299 S301 I303 F346	L245-H249 VanDerWaalsContact O-CB 3.23Å; L245-H249 WeakPolarHBondContact O-CB 3.49Å; L245-H249 PolarHBondContact O-N 3.24Å; T246-H249 VanDerWaalsContact O-CB 3.31Å; T246-H249 WeakPolarHBondContact O-CB 3.24Å; T246-H249 PolarHBondContact O-N 2.92Å; T246-H249 VanDerWaalsContact O-N 3.13Å; Q247-H249 VanDerWaalsContact C-N 3.29Å; Q247-H249 PolarHBondContact O-N 3.38Å; H249-G253 PolarHBondContact O-N 3.01Å; H249-L296 VanDerWaalsContact NE2-CB 3.26Å; H249-L296 WeakPolarHBondContact NE2-CB 3.27Å; H249-D297 PolarHBondContact CD2-O 3.13Å; H249-D297 PolarHBondContact NE2-O 3.06Å; H249-D297 VanDerWaalsContact NE2-O 3.09Å; H249-G299 PolarHBondContact CE1-O 3.08Å; H249-S301 PolarHBondContact CE1-OG 3.39Å; H249-S301 WeakPolarHBondContact ND1-CB 3.35Å; H249-S301 PolarHBondContact ND1-OG 3.38Å; H249-S301 WeakPolarHBondContact O-CB 3.24Å; H249-I303 HydrophobicContact CB-CB 4.22Å; H249-I303 HydrophobicContact CB-CG2 4.08Å; H249-F346 HydrophobicContact CB-CE2 4.23Å; H249-F346 HydrophobicContact CB-CZ 3.77Å; H249-F346 AromaticContact CG-CZ 3.74Å
250	E	92.3	Very high	88.7	Confident	65 Å²	65	33.2 Å²	33.2	30%	0.304	19%	0.187	S	C	.	.	H	α-helix	trans	-63.3	-47.6	179.9	-68.8	171.2	-164.9	0	0	111.7	T246 Q247 G253 C254	T246-E250 WeakPolarHBondContact CG2-OE1 3.27Å; T246-E250 WeakPolarHBondContact O-CG 3.27Å; T246-E250 PolarHBondContact O-N 3.33Å; Q247-E250 PolarHBondContact O-N 3.08Å; E250-G253 PolarHBondContact O-N 2.89Å; E250-C254 PolarHBondContact O-N 3.3Å; E250-C254 VanDerWaalsContact O-N 3.08Å; E250-C254 PolarHBondContact O-SG 2.7Å
251	E	92.3	Very high	87	Confident	3 Å²	3	38.1 Å²	38.1	1%	0.014	22%	0.217	C	C	.	.	H	α-helix	trans	-64	-45.5	-179.6	-71.5	-176.5	-170.2	0	0	111.8	T135 P136 L137 T138 Q247 C254 I255	T135-E251 VanDerWaalsContact C-CD 3.47Å; T135-E251 VanDerWaalsContact CA-CD 3.48Å; T135-E251 VanDerWaalsContact CA-OE2 3.27Å; T135-E251 WeakPolarHBondContact CA-OE2 3.41Å; T135-E251 HydrophobicContact CG2-CB 4.08Å; P136-E251 WeakPolarHBondContact CD-OE1 3.47Å; P136-E251 WeakPolarHBondContact CG-OE1 3.48Å; L137-E251 VanDerWaalsContact CB-OE1 3.27Å; L137-E251 WeakPolarHBondContact CB-OE1 3.17Å; L137-E251 PolarHBondContact N-OE1 3.4Å; L137-E251 PolarHBondContact N-OE2 2.64Å; L137-E251 VanDerWaalsContact N-OE2 3.16Å; T138-E251 VanDerWaalsContact CB-OE2 3.27Å; T138-E251 WeakPolarHBondContact CB-OE2 3.49Å; T138-E251 PolarHBondContact N-OE2 2.89Å; T138-E251 WeakPolarHBondContact OG1-CB 3.42Å; T138-E251 PolarHBondContact OG1-OE2 3.44Å; Q247-E251 HydrophobicContact CG-CG 4.45Å; Q247-E251 WeakPolarHBondContact O-CB 3.11Å; Q247-E251 VanDerWaalsContact O-CG 3.25Å; Q247-E251 WeakPolarHBondContact O-CG 3.46Å; Q247-E251 PolarHBondContact O-N 3.23Å; E251-C254 WeakPolarHBondContact O-CB 3.48Å; E251-C254 PolarHBondContact O-N 3.49Å; E251-I255 WeakPolarHBondContact O-CG1 3.4Å; E251-I255 PolarHBondContact O-N 2.79Å
252	M	90.4	Very high	84.8	Confident	5 Å²	5	45.3 Å²	45.3	3%	0.025	26%	0.256	C	S	.	.	H	α-helix	trans	-75.8	-25.6	179.5	-64.5	-163.2	75.7	0	0	113.2	T109 L110 T138 L248 I255 A256 P302 I303	T109-M252 HydrophobicContact CG2-CE 3.7Å; T109-M252 HydrophobicContact CG2-SD 4.48Å; L110-M252 HydrophobicContact CD2-CE 4.38Å; L110-M252 HydrophobicContact CD2-SD 3.69Å; T138-M252 HydrophobicContact CG2-CG 4.4Å; L248-M252 WeakPolarHBondContact O-CB 3.22Å; L248-M252 VanDerWaalsContact O-CG 3.22Å; L248-M252 WeakPolarHBondContact O-CG 3.09Å; L248-M252 PolarHBondContact O-N 3.03Å; M252-I255 PolarHBondContact O-N 3.34Å; M252-A256 WeakPolarHBondContact O-CB 3.42Å; M252-A256 PolarHBondContact O-N 2.93Å; M252-P302 HydrophobicContact CE-CB 4.27Å; M252-P302 HydrophobicContact CE-CG 4.21Å; M252-I303 HydrophobicContact CB-CG1 4.29Å; M252-I303 HydrophobicContact CG-CG1 4.22Å; M252-I303 HydrophobicContact SD-CD1 3.56Å; M252-I303 VanDerWaalsContact SD-CD1 3.56Å; M252-I303 HydrophobicContact SD-CG1 3.64Å
253	G	89	Confident	82.3	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-62.1	-45.4	169	0	0	0	0	0	110.7	H249 E250 I255 A256 V257	H249-G253 PolarHBondContact O-N 3.01Å; E250-G253 PolarHBondContact O-N 2.89Å; G253-I255 VanDerWaalsContact C-N 3.32Å; G253-I255 PolarHBondContact O-N 2.72Å; G253-A256 WeakPolarHBondContact O-CB 3.18Å; G253-A256 PolarHBondContact O-N 3.47Å; G253-A256 VanDerWaalsContact O-N 3.11Å; G253-V257 WeakPolarHBondContact O-CG2 3.35Å; G253-V257 PolarHBondContact O-N 3.2Å
254	C	85.7	Confident	79.4	Confident	54 Å²	54	52 Å²	52	37%	0.365	29%	0.294	S	S	.	.	H	α-helix	trans	-58.5	-41	174	-69.8	0	0	0	0	112.6	E250 E251 A258	E250-C254 PolarHBondContact O-N 3.3Å; E250-C254 VanDerWaalsContact O-N 3.08Å; E250-C254 PolarHBondContact O-SG 2.7Å; E251-C254 WeakPolarHBondContact O-CB 3.48Å; E251-C254 PolarHBondContact O-N 3.49Å; C254-A258 WeakPolarHBondContact O-CB 3.34Å; C254-A258 PolarHBondContact O-N 2.85Å; C254-A258 VanDerWaalsContact O-N 3.12Å
255	I	83	Confident	76.2	Confident	7 Å²	7	59.6 Å²	59.6	4%	0.036	33%	0.334	C	S	.	.	H	α-helix	trans	-64	-42.8	174.5	-64.5	174.6	0	0	0	111.3	I116 V118 T135 T138 E251 M252 G253 A258 K259	I116-I255 HydrophobicContact CB-CG2 4.15Å; I116-I255 HydrophobicContact CD1-CG2 3.97Å; I116-I255 HydrophobicContact CG2-CG2 3.89Å; V118-I255 HydrophobicContact CG2-CG1 3.98Å; T135-I255 HydrophobicContact CG2-CD1 3.86Å; T135-I255 HydrophobicContact CG2-CG1 3.83Å; T138-I255 HydrophobicContact CG2-CD1 4.41Å; E251-I255 WeakPolarHBondContact O-CG1 3.4Å; E251-I255 PolarHBondContact O-N 2.79Å; M252-I255 PolarHBondContact O-N 3.34Å; G253-I255 VanDerWaalsContact C-N 3.32Å; G253-I255 PolarHBondContact O-N 2.72Å; I255-A258 PolarHBondContact O-N 3.24Å; I255-K259 PolarHBondContact O-N 2.87Å
256	A	81.7	Confident	73.1	Confident	35 Å²	35	66.1 Å²	66.1	29%	0.289	37%	0.368	S	S	.	.	H	α-helix	trans	-63.3	-44.5	-179.3	0	0	0	0	0	111.5	M252 G253 A258 K259 S260	M252-A256 WeakPolarHBondContact O-CB 3.42Å; M252-A256 PolarHBondContact O-N 2.93Å; G253-A256 WeakPolarHBondContact O-CB 3.18Å; G253-A256 PolarHBondContact O-N 3.47Å; G253-A256 VanDerWaalsContact O-N 3.11Å; A256-A258 PolarHBondContact O-N 3.34Å; A256-K259 PolarHBondContact O-N 3.21Å; A256-S260 PolarHBondContact O-N 2.81Å; A256-S260 VanDerWaalsContact O-N 3.15Å; A256-S260 PolarHBondContact O-OG 3.31Å
257	V	81	Confident	70	Confident	85 Å²	85	70.2 Å²	70.2	52%	0.515	39%	0.388	S	S	.	.	H	α-helix	trans	-59.7	-45.9	174.9	174.3	0	0	0	0	110.9	G253 K259 S260 T261	G253-V257 WeakPolarHBondContact O-CG2 3.35Å; G253-V257 PolarHBondContact O-N 3.2Å; V257-K259 VanDerWaalsContact C-N 3.31Å; V257-K259 PolarHBondContact O-N 2.87Å; V257-S260 WeakPolarHBondContact CA-OG 3.43Å; V257-S260 PolarHBondContact O-N 2.82Å; V257-S260 VanDerWaalsContact O-N 3.1Å; V257-S260 PolarHBondContact O-OG 2.96Å; V257-T261 PolarHBondContact O-N 2.92Å; V257-T261 VanDerWaalsContact O-N 3.12Å; V257-T261 PolarHBondContact O-OG1 3.15Å; V257-T261 VanDerWaalsContact O-OG1 3.09Å
258	A	75.8	Confident	67	Low	30 Å²	30	75.5 Å²	75.5	25%	0.248	42%	0.418	C	S	.	.	H	α-helix	trans	-59.8	-39.2	179	0	0	0	0	0	112.7	V118 C254 I255 A256 T261	V118-A258 HydrophobicContact CG1-CB 4.4Å; V118-A258 HydrophobicContact CG2-CB 4.32Å; C254-A258 WeakPolarHBondContact O-CB 3.34Å; C254-A258 PolarHBondContact O-N 2.85Å; C254-A258 VanDerWaalsContact O-N 3.12Å; I255-A258 PolarHBondContact O-N 3.24Å; A256-A258 PolarHBondContact O-N 3.34Å; A258-T261 WeakPolarHBondContact CA-OG1 3.46Å; A258-T261 PolarHBondContact O-OG1 2.97Å
259	K	74	Confident	63.9	Low	105 Å²	105	80.9 Å²	80.9	46%	0.457	45%	0.451	S	S	.	.	H	α-helix	trans	-64.8	-38.3	174.4	-75.1	-175.5	178.7	-176.6	0	112.9	K112 I116 I255 A256 V257	K112-K259 PolarHBondContact O-NZ 2.9Å; I116-K259 HydrophobicContact CD1-CD 4.2Å; I116-K259 HydrophobicContact CD1-CG 4.3Å; I255-K259 PolarHBondContact O-N 2.87Å; A256-K259 PolarHBondContact O-N 3.21Å; V257-K259 VanDerWaalsContact C-N 3.31Å; V257-K259 PolarHBondContact O-N 2.87Å
260	S	70.6	Confident	60.7	Low	68 Å²	68	88.5 Å²	88.5	48%	0.476	49%	0.492	S	S	.	.	H	α-helix	trans	-72.8	-31.1	-178.9	41.8	0	0	0	0	113.2	A256 V257 D262 V263	A256-S260 PolarHBondContact O-N 2.81Å; A256-S260 VanDerWaalsContact O-N 3.15Å; A256-S260 PolarHBondContact O-OG 3.31Å; V257-S260 WeakPolarHBondContact CA-OG 3.43Å; V257-S260 PolarHBondContact O-N 2.82Å; V257-S260 VanDerWaalsContact O-N 3.1Å; V257-S260 PolarHBondContact O-OG 2.96Å; S260-D262 PolarHBondContact O-N 2.8Å; S260-V263 CarbonylContact O-C 3.58Å; S260-V263 PolarHBondContact O-N 3.15Å
261	T	58.6	Low	57.8	Low	103 Å²	103	93.6 Å²	93.6	63%	0.632	52%	0.516	S	S	*	.	H	α-helix	trans	-65.6	-18.6	179.4	26.9	0	0	0	0	114.8	V257 A258 V263	V257-T261 PolarHBondContact O-N 2.92Å; V257-T261 VanDerWaalsContact O-N 3.12Å; V257-T261 PolarHBondContact O-OG1 3.15Å; V257-T261 VanDerWaalsContact O-OG1 3.09Å; A258-T261 WeakPolarHBondContact CA-OG1 3.46Å; A258-T261 PolarHBondContact O-OG1 2.97Å; T261-V263 VanDerWaalsContact C-N 3.27Å; T261-V263 PolarHBondContact O-N 3.49Å
262	D	50.1	Low	54.8	Low	152 Å²	152	98.9 Å²	98.9	81%	0.813	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-9.7	172.8	-87.8	-25	0	0	0	113.4	S260	S260-D262 PolarHBondContact O-N 2.8Å
263	V	41.5	Very low	52.2	Low	112 Å²	112	106.7 Å²	106.7	68%	0.679	59%	0.589	S	S	*	*	S	Bend	trans	-136.6	100.7	-179.1	-171	0	0	0	0	109.2	S260 T261	S260-V263 CarbonylContact O-C 3.58Å; S260-V263 PolarHBondContact O-N 3.15Å; T261-V263 VanDerWaalsContact C-N 3.27Å; T261-V263 PolarHBondContact O-N 3.49Å
264	H	33.8	Very low	49.5	Very low	159 Å²	159	112.9 Å²	112.9	74%	0.736	62%	0.623	S	S	*	*			trans	87	96.6	177.4	-98.2	-79.1	0	0	0	118
265	L	29.5	Very low	47.5	Very low	160 Å²	160	116.6 Å²	116.6	84%	0.838	64%	0.639	S	S	*	*			trans	-60.3	124.7	135.1	-66.7	161.2	0	0	0	107.3
266	L	30.9	Very low	45.6	Very low	138 Å²	138	119.4 Å²	119.4	72%	0.723	66%	0.659	S	S	*	*			trans	164.8	123	137.4	-84.8	163	0	0	0	112.5
267	N	28.3	Very low	44.2	Very low	133 Å²	133	123.4 Å²	123.4	71%	0.711	67%	0.672	S	S	*	*			trans	67.6	78.6	150.6	-64	-4.5	0	0	0	119.2
268	D	29.5	Very low	43.2	Very low	168 Å²	168	128.1 Å²	128.1	90%	0.898	68%	0.68	S	S	*	*			trans	-84.2	112	138.8	-91.6	-35.7	0	0	0	108.8
269	T	29	Very low	42.8	Very low	113 Å²	113	131.5 Å²	131.5	69%	0.693	69%	0.692	S	S	*	*			trans	-87.3	108.1	166.4	-36.7	0	0	0	0	104.8	Q271	T269-Q271 VanDerWaalsContact C-N 3.31Å; T269-Q271 PolarHBondContact O-N 3.01Å
270	D	27.9	Very low	42.4	Very low	163 Å²	163	129.4 Å²	129.4	87%	0.872	69%	0.688	S	S	*	*			trans	-51.5	96.7	168.2	-87.4	-33.1	0	0	0	109	S272	D270-S272 PolarHBondContact O-N 3.42Å
271	Q	30.2	Very low	42.2	Very low	171 Å²	171	129.8 Å²	129.8	80%	0.799	69%	0.688	S	S	*	*			trans	-83.6	100.4	158.5	-72.8	-160.6	19.9	0	0	106.1	T269 Q273	T269-Q271 VanDerWaalsContact C-N 3.31Å; T269-Q271 PolarHBondContact O-N 3.01Å; Q271-Q273 VanDerWaalsContact C-N 3.3Å; Q271-Q273 PolarHBondContact O-N 3.38Å
272	S	30.4	Very low	42.5	Very low	115 Å²	115	125.5 Å²	125.5	80%	0.804	66%	0.664	S	S	*	*			trans	-52.8	100.9	157.2	46.3	0	0	0	0	107.9	D270 N274	D270-S272 PolarHBondContact O-N 3.42Å; S272-N274 PolarHBondContact O-N 3.03Å
273	Q	35.2	Very low	43.2	Very low	168 Å²	168	127.4 Å²	127.4	79%	0.785	66%	0.66	S	S	*	*			trans	-65.6	102.4	171.4	-81.5	-170.8	-36.8	0	0	107.2	Q271 D275	Q271-Q273 VanDerWaalsContact C-N 3.3Å; Q271-Q273 PolarHBondContact O-N 3.38Å; Q273-D275 PolarHBondContact O-N 2.74Å; Q273-D275 VanDerWaalsContact O-N 3.07Å
274	N	32.4	Very low	44.5	Very low	132 Å²	132	126.1 Å²	126.1	71%	0.706	66%	0.661	S	S	*	*			trans	-64	104.3	160.2	-166.2	6.2	0	0	0	106.2	S272 S276	S272-N274 PolarHBondContact O-N 3.03Å; N274-S276 PolarHBondContact O-N 2.77Å
275	D	43.2	Very low	46.2	Very low	131 Å²	131	120.8 Å²	120.8	70%	0.701	65%	0.649	S	S	*	*			trans	-66.8	45.7	-178.7	-108.3	-3.7	0	0	0	112.3	Q273 E277	Q273-D275 PolarHBondContact O-N 2.74Å; Q273-D275 VanDerWaalsContact O-N 3.07Å; D275-E277 PolarHBondContact O-N 3.15Å
276	S	43.3	Very low	48	Very low	66 Å²	66	119.5 Å²	119.5	46%	0.462	64%	0.637	S	S	.	*			trans	-68.2	127.1	165.1	-62.7	0	0	0	0	107.8	N274 W278	N274-S276 PolarHBondContact O-N 2.77Å; S276-W278 VanDerWaalsContact C-N 3.32Å; S276-W278 PolarHBondContact O-N 2.86Å
277	E	52.8	Low	49.7	Very low	120 Å²	120	118.1 Å²	118.1	56%	0.561	63%	0.626	S	S	*	*			trans	-60.6	87.1	178.5	-171.5	179.2	177.8	0	0	110.6	D275 M279 P289	D275-E277 PolarHBondContact O-N 3.15Å; E277-M279 PolarHBondContact O-N 3.2Å; E277-P289 HydrophobicContact CG-CB 3.92Å; E277-P289 WeakPolarHBondContact OE1-CB 3.45Å
278	W	61.2	Low	51.6	Low	184 Å²	184	114.7 Å²	114.7	70%	0.697	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-67.1	130.8	178.8	-74.8	82.7	0	0	0	109.4	S276 E290	S276-W278 VanDerWaalsContact C-N 3.32Å; S276-W278 PolarHBondContact O-N 2.86Å; W278-E290 HydrophobicContact CB-CB 4.34Å; W278-E290 WeakPolarHBondContact O-CB 3.47Å; W278-E290 PolarHBondContact O-N 3.19Å
279	M	66.8	Low	53.6	Low	100 Å²	100	107 Å²	107	49%	0.493	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.7	116.8	178.4	-66.3	-67.2	-67.9	0	0	109.9	E277 H287 Y288 P289	E277-M279 PolarHBondContact O-N 3.2Å; M279-H287 HydrophobicContact CE-CB 3.82Å; M279-Y288 CarbonylContact C-O 3.48Å; M279-Y288 WeakPolarHBondContact CA-O 3.24Å; M279-P289 HydrophobicContact SD-CB 4.37Å
280	V	65.9	Low	55.9	Low	61 Å²	61	107.1 Å²	107.1	37%	0.37	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.1	132.3	176.1	-174.4	0	0	0	0	109.8	H287 Y288 E290	V280-H287 WeakPolarHBondContact O-CA 3.39Å; V280-Y288 PolarHBondContact N-O 3.23Å; V280-Y288 PolarHBondContact O-N 3.19Å; V280-E290 HydrophobicContact CG2-CB 3.74Å; V280-E290 HydrophobicContact CG2-CG 4.02Å
281	T	66.8	Low	58.4	Low	77 Å²	77	100.1 Å²	100.1	47%	0.472	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	113.3	173.9	-46.4	0	0	0	0	109.4	H287	T281-H287 PolarHBondContact OG1-CE1 3.03Å; T281-H287 PolarHBondContact OG1-ND1 3.04Å; T281-H287 VanDerWaalsContact OG1-ND1 3.12Å
282	G	64.3	Low	61	Low	13 Å²	13	97.6 Å²	97.6	13%	0.134	50%	0.503	C	S	.	.			trans	-69.2	167.8	174.4	0	0	0	0	0	112.6	A284 G285 K286	G282-A284 PolarHBondContact O-N 2.85Å; G282-G285 PolarHBondContact O-N 2.79Å; G282-K286 PolarHBondContact N-O 2.78Å
283	R	64.3	Low	63.6	Low	192 Å²	192	98.1 Å²	98.1	73%	0.725	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-24.5	-179.3	-66	-178.1	-174.9	-156.5	-2.8	114.4	G285	R283-G285 VanDerWaalsContact C-N 3.29Å
284	A	69.7	Low	66.1	Low	84 Å²	84	92 Å²	92	69%	0.694	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	12	176.4	0	0	0	0	0	113.7	G282 K286	G282-A284 PolarHBondContact O-N 2.85Å; A284-K286 PolarHBondContact O-N 3.44Å
285	G	67.9	Low	68.6	Low	48 Å²	48	92.2 Å²	92.2	50%	0.495	46%	0.46	S	S	.	.	S	Bend	trans	72.2	6	-177.8	0	0	0	0	0	114.7	G282 R283	G282-G285 PolarHBondContact O-N 2.79Å; R283-G285 VanDerWaalsContact C-N 3.29Å
286	K	68.1	Low	70.6	Confident	132 Å²	132	88 Å²	88	57%	0.574	44%	0.438	S	S	*	.			trans	-84.7	133.8	178.2	-70.1	-178.1	177.5	-179.8	0	110.2	G282 A284 Y288	G282-K286 PolarHBondContact N-O 2.78Å; A284-K286 PolarHBondContact O-N 3.44Å; K286-Y288 HydrophobicContact CB-CE1 4.29Å; K286-Y288 HydrophobicContact CB-CE2 3.57Å; K286-Y288 VanDerWaalsContact CB-CZ 3.41Å; K286-Y288 WeakPolarHBondContact CB-OH 3.39Å; K286-Y288 WeakPolarHBondContact CD-OH 3.41Å; K286-Y288 VanDerWaalsContact O-CD2 3.32Å; K286-Y288 WeakPolarHBondContact O-CD2 3.38Å; K286-Y288 WeakPolarHBondContact O-CE2 3.37Å
287	H	66.1	Low	72.2	Confident	110 Å²	110	91 Å²	91	51%	0.509	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	135.2	178.2	-62.7	-87.2	0	0	0	111.3	M279 V280 T281	M279-H287 HydrophobicContact CE-CB 3.82Å; V280-H287 WeakPolarHBondContact O-CA 3.39Å; T281-H287 PolarHBondContact OG1-CE1 3.03Å; T281-H287 PolarHBondContact OG1-ND1 3.04Å; T281-H287 VanDerWaalsContact OG1-ND1 3.12Å
288	Y	68.9	Low	73.4	Confident	61 Å²	61	87.2 Å²	87.2	24%	0.239	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	153.2	178.2	-50.4	-81.1	0	0	0	110	M279 V280 K286 E290	M279-Y288 CarbonylContact C-O 3.48Å; M279-Y288 WeakPolarHBondContact CA-O 3.24Å; V280-Y288 PolarHBondContact N-O 3.23Å; V280-Y288 PolarHBondContact O-N 3.19Å; K286-Y288 HydrophobicContact CB-CE1 4.29Å; K286-Y288 HydrophobicContact CB-CE2 3.57Å; K286-Y288 VanDerWaalsContact CB-CZ 3.41Å; K286-Y288 WeakPolarHBondContact CB-OH 3.39Å; K286-Y288 WeakPolarHBondContact CD-OH 3.41Å; K286-Y288 VanDerWaalsContact O-CD2 3.32Å; K286-Y288 WeakPolarHBondContact O-CD2 3.38Å; K286-Y288 WeakPolarHBondContact O-CE2 3.37Å; Y288-E290 PolarHBondContact O-N 3.18Å
289	P	70.5	Confident	74.5	Confident	6 Å²	6	80 Å²	80	4%	0.039	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	139.5	168.8	26.5	-33.3	0	0	0	109.9	E277 M279 A291 K338	E277-P289 HydrophobicContact CG-CB 3.92Å; E277-P289 WeakPolarHBondContact OE1-CB 3.45Å; M279-P289 HydrophobicContact SD-CB 4.37Å; P289-A291 PolarHBondContact O-N 3.46Å; P289-K338 HydrophobicContact CG-CB 3.92Å
290	E	77.8	Confident	75.5	Confident	116 Å²	116	81.8 Å²	81.8	54%	0.542	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-56.6	131.8	167.4	-170.8	160.5	-166.9	0	0	108.7	W278 V280 Y288 R292	W278-E290 HydrophobicContact CB-CB 4.34Å; W278-E290 WeakPolarHBondContact O-CB 3.47Å; W278-E290 PolarHBondContact O-N 3.19Å; V280-E290 HydrophobicContact CG2-CB 3.74Å; V280-E290 HydrophobicContact CG2-CG 4.02Å; Y288-E290 PolarHBondContact O-N 3.18Å; E290-R292 PolarHBondContact O-N 3.09Å
291	A	81	Confident	76.7	Confident	15 Å²	15	79.1 Å²	79.1	12%	0.124	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-77.7	121	-177.1	0	0	0	0	0	109.5	P289 K293 V312 A340 K342	P289-A291 PolarHBondContact O-N 3.46Å; A291-K293 PolarHBondContact O-N 3.5Å; A291-V312 HydrophobicContact CB-CG2 4.16Å; A291-A340 CarbonylContact C-O 3.46Å; A291-A340 VanDerWaalsContact CA-O 3.29Å; A291-A340 WeakPolarHBondContact CA-O 3.32Å; A291-A340 HydrophobicContact CB-CB 3.58Å; A291-K342 HydrophobicContact CB-CD 4.21Å; A291-K342 HydrophobicContact CB-CG 3.77Å
292	R	84	Confident	77.9	Confident	118 Å²	118	77.5 Å²	77.5	45%	0.445	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	123.7	172.6	-69.8	-167	-62.9	129.8	-2.8	108.7	E25 E290 A340 I341 K342	E25-R292 IonicContact OE2-CZ 3.04Å; E25-R292 VanDerWaalsContact OE2-CZ 3.25Å; E25-R292 IonicContact OE2-NH1 2.79Å; E25-R292 PolarHBondContact OE2-NH1 3.34Å; E25-R292 IonicContact OE2-NH2 2.76Å; E25-R292 PolarHBondContact OE2-NH2 2.66Å; E290-R292 PolarHBondContact O-N 3.09Å; R292-A340 PolarHBondContact N-O 3.12Å; R292-I341 CarbonylContact O-C 3.6Å; R292-I341 WeakPolarHBondContact O-CA 3.36Å; R292-K342 PolarHBondContact O-N 3.09Å
293	K	86.3	Confident	79.4	Confident	127 Å²	127	76.9 Å²	76.9	55%	0.552	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	122.3	-179.2	-172.6	-174.8	175.8	-162	0	109.2	A291 K342	A291-K293 PolarHBondContact O-N 3.5Å; K293-K342 HydrophobicContact CB-CB 4.41Å; K293-K342 HydrophobicContact CG-CB 4.33Å
294	I	87.4	Confident	80.8	Confident	39 Å²	39	68.2 Å²	68.2	20%	0.2	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-81.8	123.4	168.6	-60.5	173	0	0	0	106.8	K21 I341 K342 E343 P344	K21-I294 HydrophobicContact CD-CD1 4.34Å; I294-I341 HydrophobicContact CD1-CG2 3.57Å; I294-I341 HydrophobicContact CG1-CG2 3.99Å; I294-K342 PolarHBondContact N-O 3.07Å; I294-E343 HydrophobicContact CD1-CB 4.33Å; I294-E343 HydrophobicContact CD1-CG 4.21Å; I294-P344 WeakPolarHBondContact O-CD 3.28Å
295	E	84.7	Confident	82	Confident	137 Å²	137	66.9 Å²	66.9	64%	0.64	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-86	153.1	174.1	-57.5	-156.7	144.4	0	0	110.8
296	L	84.2	Confident	83.2	Confident	43 Å²	43	64.9 Å²	64.9	23%	0.225	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-77.5	140.1	172.3	-72.9	171.1	0	0	0	109.6	H249 G298 G299 A304 C308 P344 F346	H249-L296 VanDerWaalsContact NE2-CB 3.26Å; H249-L296 WeakPolarHBondContact NE2-CB 3.27Å; L296-G298 PolarHBondContact O-N 3.41Å; L296-G299 PolarHBondContact O-N 2.95Å; L296-A304 HydrophobicContact CD1-CB 4.21Å; L296-C308 HydrophobicContact CD1-CB 4.33Å; L296-P344 HydrophobicContact CD1-CB 4.19Å; L296-P344 HydrophobicContact CD2-CB 3.73Å; L296-P344 HydrophobicContact CD2-CG 3.44Å; L296-P344 VanDerWaalsContact CD2-CG 3.44Å; L296-P344 HydrophobicContact CG-CB 3.73Å; L296-P344 HydrophobicContact CG-CG 3.63Å; L296-F346 HydrophobicContact CD1-CE1 4.38Å; L296-F346 HydrophobicContact CD1-CE2 4.42Å; L296-F346 HydrophobicContact CD1-CZ 3.82Å; L296-F346 HydrophobicContact CD2-CE2 4.35Å
297	D	78.1	Confident	84.6	Confident	129 Å²	129	58.6 Å²	58.6	69%	0.69	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	123.4	168.4	-59.3	-35.4	0	0	0	108.5	H249	H249-D297 PolarHBondContact CD2-O 3.13Å; H249-D297 PolarHBondContact NE2-O 3.06Å; H249-D297 VanDerWaalsContact NE2-O 3.09Å
298	G	76.7	Confident	86	Confident	40 Å²	40	54.1 Å²	54.1	41%	0.412	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.9	-6.1	-171.2	0	0	0	0	0	115.1	L296	L296-G298 PolarHBondContact O-N 3.41Å
299	G	84.4	Confident	87.2	Confident	31 Å²	31	51.2 Å²	51.2	32%	0.32	27%	0.274	S	S	.	.			trans	72.5	-131.1	170	0	0	0	0	0	113.9	H249 L296	H249-G299 PolarHBondContact CE1-O 3.08Å; L296-G299 PolarHBondContact O-N 2.95Å
300	Q	87.7	Confident	88.3	Confident	138 Å²	138	51.9 Å²	51.9	65%	0.645	28%	0.279	S	S	*	.	S	Bend	trans	-89.9	136.3	174.8	-66.8	-57.7	-52.3	0	0	110.3
301	S	92.3	Very high	89.1	Confident	5 Å²	5	46.9 Å²	46.9	4%	0.035	26%	0.256	C	S	.	.			trans	-147.6	160.2	173.7	78.9	0	0	0	0	110.6	H249 I303 A304 S305	H249-S301 PolarHBondContact CE1-OG 3.39Å; H249-S301 WeakPolarHBondContact ND1-CB 3.35Å; H249-S301 PolarHBondContact ND1-OG 3.38Å; H249-S301 WeakPolarHBondContact O-CB 3.24Å; S301-I303 PolarHBondContact O-N 2.98Å; S301-I303 PolarHBondContact OG-N 3.25Å; S301-A304 WeakPolarHBondContact O-CB 3.42Å; S301-A304 PolarHBondContact O-N 3.49Å; S301-A304 PolarHBondContact OG-N 3.02Å; S301-S305 PolarHBondContact O-N 3.09Å; S301-S305 VanDerWaalsContact O-N 3.09Å; S301-S305 PolarHBondContact O-OG 3.33Å
302	P	92.6	Very high	89.6	Confident	43 Å²	43	46.2 Å²	46.2	28%	0.279	25%	0.25	S	C	.	.	H	α-helix	trans	-57.3	-29.5	170.7	-25.5	35.8	0	0	0	114	T109 M252 S305 L306	T109-P302 HydrophobicContact CG2-CB 3.29Å; T109-P302 HydrophobicContact CG2-CG 4.18Å; M252-P302 HydrophobicContact CE-CB 4.27Å; M252-P302 HydrophobicContact CE-CG 4.21Å; P302-S305 PolarHBondContact O-N 2.96Å; P302-L306 VanDerWaalsContact O-CG 3.32Å; P302-L306 WeakPolarHBondContact O-CG 3.27Å; P302-L306 PolarHBondContact O-N 3.41Å
303	I	94.7	Very high	89.9	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-67.4	-41.9	175.4	-58.7	-59.5	0	0	0	110.9	L106 L245 L248 H249 M252 S301 L306 F307 F346	L106-I303 HydrophobicContact CD1-CD1 3.5Å; L106-I303 VanDerWaalsContact CD1-CD1 3.5Å; L245-I303 HydrophobicContact CD2-CG2 4.39Å; L248-I303 HydrophobicContact CB-CD1 4.08Å; L248-I303 HydrophobicContact CB-CG1 3.9Å; H249-I303 HydrophobicContact CB-CB 4.22Å; H249-I303 HydrophobicContact CB-CG2 4.08Å; M252-I303 HydrophobicContact CB-CG1 4.29Å; M252-I303 HydrophobicContact CG-CG1 4.22Å; M252-I303 HydrophobicContact SD-CD1 3.56Å; M252-I303 VanDerWaalsContact SD-CD1 3.56Å; M252-I303 HydrophobicContact SD-CG1 3.64Å; S301-I303 PolarHBondContact O-N 2.98Å; S301-I303 PolarHBondContact OG-N 3.25Å; I303-L306 PolarHBondContact O-N 2.89Å; I303-F307 HydrophobicContact CG2-CD2 4.14Å; I303-F307 PolarHBondContact O-N 3.43Å; I303-F346 HydrophobicContact CG2-CE1 4.18Å
304	A	94.3	Very high	90.1	Very high	10 Å²	10	36.8 Å²	36.8	8%	0.083	21%	0.212	C	C	.	.	H	α-helix	trans	-62.5	-43.5	175.6	0	0	0	0	0	110.9	L296 S301 L306 F307 C308	L296-A304 HydrophobicContact CD1-CB 4.21Å; S301-A304 WeakPolarHBondContact O-CB 3.42Å; S301-A304 PolarHBondContact O-N 3.49Å; S301-A304 PolarHBondContact OG-N 3.02Å; A304-L306 PolarHBondContact O-N 3.13Å; A304-F307 PolarHBondContact O-N 2.9Å; A304-C308 HydrophobicContact CB-CB 4.02Å; A304-C308 WeakPolarHBondContact O-CA 3.3Å; A304-C308 WeakPolarHBondContact O-CB 3.46Å; A304-C308 PolarHBondContact O-N 2.68Å
305	S	93.6	Very high	90.1	Very high	56 Å²	56	35.9 Å²	35.9	39%	0.392	21%	0.208	S	C	.	.	H	α-helix	trans	-60.2	-28	175.8	-53.8	0	0	0	0	113.7	S301 P302 P397	S301-S305 PolarHBondContact O-N 3.09Å; S301-S305 VanDerWaalsContact O-N 3.09Å; S301-S305 PolarHBondContact O-OG 3.33Å; P302-S305 PolarHBondContact O-N 2.96Å; S305-P397 VanDerWaalsContact O-CD 3.3Å; S305-P397 WeakPolarHBondContact O-CD 3.36Å; S305-P397 WeakPolarHBondContact O-CG 3.38Å
306	L	94.9	Very high	90.1	Very high	6 Å²	6	32.9 Å²	32.9	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-88.5	-40.3	-179	-70.9	175.5	0	0	0	113.8	L106 P302 I303 A304 P397 Y398 I593	L106-L306 HydrophobicContact CB-CD1 4.18Å; L106-L306 HydrophobicContact CD1-CD1 4.18Å; P302-L306 VanDerWaalsContact O-CG 3.32Å; P302-L306 WeakPolarHBondContact O-CG 3.27Å; P302-L306 PolarHBondContact O-N 3.41Å; I303-L306 PolarHBondContact O-N 2.89Å; A304-L306 PolarHBondContact O-N 3.13Å; L306-P397 WeakPolarHBondContact O-CD 3.19Å; L306-Y398 HydrophobicContact CB-CD2 4.45Å; L306-Y398 HydrophobicContact CD2-CD2 4.28Å; L306-Y398 HydrophobicContact CD2-CE2 4.13Å; L306-Y398 PolarHBondContact O-N 3.2Å; L306-I593 HydrophobicContact CD2-CD1 3.31Å; L306-I593 HydrophobicContact CD2-CG1 4.34Å
307	F	96.4	Very high	89.7	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-123	-15.9	-165.5	-62.3	-77.8	0	0	0	114.5	I103 L106 L245 I303 A304 G309 F346 Y398 I400	I103-F307 HydrophobicContact CD1-CE1 3.64Å; I103-F307 HydrophobicContact CD1-CZ 3.55Å; I103-F307 HydrophobicContact CG2-CZ 4.47Å; L106-F307 HydrophobicContact CD1-CE2 4.24Å; L106-F307 HydrophobicContact CD2-CE2 4.14Å; L106-F307 HydrophobicContact CD2-CZ 4.06Å; L245-F307 HydrophobicContact CD2-CD2 3.92Å; L245-F307 HydrophobicContact CD2-CE2 4.11Å; L245-F307 HydrophobicContact CD2-CG 4.15Å; I303-F307 HydrophobicContact CG2-CD2 4.14Å; I303-F307 PolarHBondContact O-N 3.43Å; A304-F307 PolarHBondContact O-N 2.9Å; F307-G309 PolarHBondContact O-N 3.42Å; F307-F346 HydrophobicContact CB-CD1 3.8Å; F307-F346 HydrophobicContact CB-CE1 4.42Å; F307-Y398 HydrophobicContact CD1-CG 4.5Å; F307-Y398 HydrophobicContact CE1-CD2 4.4Å; F307-Y398 HydrophobicContact CE1-CG 4.03Å; F307-I400 HydrophobicContact CD1-CD1 3.77Å; F307-I400 HydrophobicContact CD1-CG1 4.24Å; F307-I400 HydrophobicContact CE1-CD1 4.14Å
308	C	95.4	Very high	89.2	Confident	16 Å²	16	27.4 Å²	27.4	11%	0.108	17%	0.173	C	C	.	.			trans	-79.7	112.8	-174.7	-172.6	0	0	0	0	111.1	L296 A304 P344 F345 F346 H394	L296-C308 HydrophobicContact CD1-CB 4.33Å; A304-C308 HydrophobicContact CB-CB 4.02Å; A304-C308 WeakPolarHBondContact O-CA 3.3Å; A304-C308 WeakPolarHBondContact O-CB 3.46Å; A304-C308 PolarHBondContact O-N 2.68Å; C308-P344 VanDerWaalsContact SG-CB 3.54Å; C308-F345 CarbonylContact C-O 3.55Å; C308-F345 WeakPolarHBondContact CA-O 3.33Å; C308-F346 HydrophobicContact CB-CD1 4.37Å; C308-F346 HydrophobicContact CB-CE1 4.04Å; C308-H394 PolarHBondContact O-CD2 2.85Å; C308-H394 VanDerWaalsContact O-CD2 3.31Å
309	G	94.4	Very high	88.4	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	177	160.5	0	0	0	0	0	111.6	F307 P344 F345 H394	F307-G309 PolarHBondContact O-N 3.42Å; G309-P344 WeakPolarHBondContact O-CA 3.5Å; G309-F345 VanDerWaalsContact C-CE1 3.46Å; G309-F345 PolarHBondContact N-O 3.41Å; G309-F345 PolarHBondContact O-N 2.96Å; G309-H394 WeakPolarHBondContact CA-O 3.04Å
310	T	94.1	Very high	87	Confident	21 Å²	21	35.9 Å²	35.9	13%	0.129	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	132	171.7	-53.8	0	0	0	0	109.9	K342 E343 D393 H394	T310-K342 HydrophobicContact CG2-CB 3.87Å; T310-K342 HydrophobicContact CG2-CG 4.38Å; T310-E343 CarbonylContact C-O 3.54Å; T310-E343 WeakPolarHBondContact CA-O 3.37Å; T310-D393 HydrophobicContact CG2-CB 4.26Å; T310-D393 PolarHBondContact O-N 3.33Å; T310-H394 PolarHBondContact N-O 2.85Å; T310-H394 VanDerWaalsContact N-O 3.07Å; T310-H394 PolarHBondContact O-N 2.73Å
311	L	93.8	Very high	85	Confident	11 Å²	11	37.3 Å²	37.3	6%	0.058	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	136.7	168.2	-67.2	175.1	0	0	0	109.2	W18 K342 E343 F345 L348 M391 I392	W18-L311 HydrophobicContact CZ2-CD1 4.48Å; L311-K342 CarbonylContact O-C 3.59Å; L311-K342 VanDerWaalsContact O-CA 3.26Å; L311-K342 WeakPolarHBondContact O-CA 3.4Å; L311-E343 PolarHBondContact N-O 3.11Å; L311-E343 PolarHBondContact O-N 3.39Å; L311-F345 HydrophobicContact CD1-CD1 4.32Å; L311-F345 HydrophobicContact CD2-CD1 4.45Å; L311-F345 HydrophobicContact CD2-CE1 4Å; L311-F345 HydrophobicContact CG-CD1 3.73Å; L311-F345 HydrophobicContact CG-CE1 3.77Å; L311-L348 HydrophobicContact CD1-CD2 4.15Å; L311-L348 HydrophobicContact CD2-CD2 4.3Å; L311-L348 HydrophobicContact CG-CD2 4.43Å; L311-M391 CarbonylContact C-O 3.51Å; L311-M391 VanDerWaalsContact CA-O 3.27Å; L311-M391 WeakPolarHBondContact CA-O 3.42Å; L311-I392 HydrophobicContact CD2-CG1 3.82Å
312	V	92.4	Very high	82.6	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	121.2	163.8	61.9	0	0	0	0	109.2	A291 R314 I341 K342 S390 M391 D393 N458	A291-V312 HydrophobicContact CB-CG2 4.16Å; V312-R314 HydrophobicContact CG2-CG 4.37Å; V312-I341 CarbonylContact C-O 3.5Å; V312-I341 WeakPolarHBondContact CA-O 3.32Å; V312-K342 HydrophobicContact CB-CG 4.06Å; V312-K342 HydrophobicContact CG2-CG 4.07Å; V312-S390 CarbonylContact O-C 3.54Å; V312-S390 WeakPolarHBondContact O-CA 3.4Å; V312-M391 HydrophobicContact CG1-CB 4.04Å; V312-M391 HydrophobicContact CG1-CE 4.23Å; V312-M391 PolarHBondContact N-O 3.12Å; V312-M391 PolarHBondContact O-N 3.18Å; V312-D393 HydrophobicContact CB-CB 4.05Å; V312-D393 HydrophobicContact CG1-CB 4.05Å; V312-N458 HydrophobicContact CG1-CB 3.83Å
313	T	90.5	Very high	80.2	Confident	6 Å²	6	44.4 Å²	44.4	4%	0.037	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123.7	176.8	-64.7	0	0	0	0	108.9	W18 A340 I341 R388 R389 S390	W18-T313 HydrophobicContact CE3-CG2 4.43Å; W18-T313 HydrophobicContact CH2-CG2 4.46Å; W18-T313 WeakPolarHBondContact CH2-OG1 3.36Å; W18-T313 HydrophobicContact CZ3-CG2 3.61Å; W18-T313 WeakPolarHBondContact CZ3-OG1 3.44Å; T313-A340 CarbonylContact O-C 3.45Å; T313-A340 VanDerWaalsContact O-CA 3.23Å; T313-A340 WeakPolarHBondContact O-CA 3.3Å; T313-I341 PolarHBondContact N-O 3.18Å; T313-I341 PolarHBondContact O-N 2.74Å; T313-R388 HydrophobicContact CG2-CG 3.34Å; T313-R389 CarbonylContact C-O 3.56Å; T313-R389 WeakPolarHBondContact CA-O 3.27Å; T313-S390 PolarHBondContact OG1-OG 3.09Å
314	R	89.6	Confident	77.4	Confident	42 Å²	42	55.6 Å²	55.6	16%	0.158	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.1	175.1	-62.6	-174.5	174.4	-77.9	2.5	109.1	V312 S339 A340 R388 R389 E460	V312-R314 HydrophobicContact CG2-CG 4.37Å; R314-S339 WeakPolarHBondContact CA-O 3.23Å; R314-A340 HydrophobicContact CG-CB 4.14Å; R314-R388 WeakPolarHBondContact O-CA 3.48Å; R314-R389 PolarHBondContact N-O 2.9Å; R314-R389 PolarHBondContact O-N 3.12Å; R314-E460 IonicContact CZ-OE1 2.75Å; R314-E460 IonicContact NH2-OE1 3.23Å; R314-E460 PolarHBondContact NH2-OE1 3.48Å; R314-E460 IonicContact NH2-OE2 2.72Å; R314-E460 PolarHBondContact NH2-OE2 3.25Å
315	S	86.7	Confident	74.8	Confident	19 Å²	19	61.4 Å²	61.4	13%	0.133	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	138.7	-179.5	-58.6	0	0	0	0	110.8	K338 S339 R387	S315-K338 CarbonylContact O-C 3.48Å; S315-K338 WeakPolarHBondContact O-CA 3.48Å; S315-S339 WeakPolarHBondContact CB-OG 3.4Å; S315-S339 PolarHBondContact N-O 3.29Å; S315-S339 PolarHBondContact O-N 3.21Å; S315-R387 CarbonylContact C-O 3.57Å; S315-R387 VanDerWaalsContact CA-O 3.24Å; S315-R387 WeakPolarHBondContact CA-O 2.93Å
316	N	84.7	Confident	72.1	Confident	74 Å²	74	64.3 Å²	64.3	40%	0.396	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	119.9	173.5	-63.7	-34.4	0	0	0	109	K338 R387	N316-K338 WeakPolarHBondContact OD1-CG 3.11Å; N316-R387 PolarHBondContact N-O 3.14Å; N316-R387 PolarHBondContact O-N 3.08Å
317	L	77	Confident	69.3	Low	32 Å²	32	70.7 Å²	70.7	17%	0.168	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	112.7	175.7	-173.2	70.4	0	0	0	109.8	A336 K337 Y376 N378 V386	L317-A336 WeakPolarHBondContact O-CA 3.44Å; L317-K337 HydrophobicContact CB-CB 4.2Å; L317-K337 WeakPolarHBondContact CB-O 3.33Å; L317-K337 HydrophobicContact CD2-CB 4.2Å; L317-K337 PolarHBondContact N-O 3.09Å; L317-Y376 HydrophobicContact CD1-CD1 4.31Å; L317-N378 WeakPolarHBondContact CD1-OD1 3.36Å; L317-N378 WeakPolarHBondContact CD2-ND2 3.34Å; L317-V386 HydrophobicContact CD1-CG2 3.5Å; L317-V386 VanDerWaalsContact CD1-CG2 3.5Å
318	G	68	Low	66.4	Low	25 Å²	25	77.5 Å²	77.5	26%	0.258	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	127.9	171.1	0	0	0	0	0	110.6	S320 L385	G318-S320 PolarHBondContact O-N 2.95Å; G318-L385 PolarHBondContact N-O 3.28Å; G318-L385 PolarHBondContact O-N 2.89Å
319	K	60	Low	63.3	Low	165 Å²	165	86.5 Å²	86.5	72%	0.717	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-66	122.4	167.3	-71	-175.3	178.1	-177.9	0	108.1	N321	K319-N321 PolarHBondContact O-N 3.46Å
320	S	54.3	Low	60.3	Low	84 Å²	84	90.3 Å²	90.3	59%	0.587	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-64.3	126.8	171.1	-175.2	0	0	0	0	108.4	G318 S322	G318-S320 PolarHBondContact O-N 2.95Å; S320-S322 PolarHBondContact O-N 3.01Å
321	N	46	Very low	57.5	Low	169 Å²	169	95.7 Å²	95.7	90%	0.904	51%	0.511	S	S	*	.			trans	-69.3	78.5	176.1	-79.3	-19.2	0	0	0	109.6	K319	K319-N321 PolarHBondContact O-N 3.46Å
322	S	42.1	Very low	54.7	Low	111 Å²	111	101 Å²	101	78%	0.776	54%	0.543	S	S	*	.			trans	-119.8	71.9	167.4	-176.4	0	0	0	0	109.4	S320	S320-S322 PolarHBondContact O-N 3.01Å
323	S	40.4	Very low	52.1	Low	85 Å²	85	109 Å²	109	59%	0.594	59%	0.586	S	S	*	*			trans	-165	116.2	142.6	-172	0	0	0	0	109.2	N325	S323-N325 PolarHBondContact O-N 3.43Å; S323-N325 PolarHBondContact OG-ND2 3.36Å
324	Y	37.2	Very low	49.8	Very low	235 Å²	235	115.2 Å²	115.2	92%	0.922	62%	0.619	S	S	*	*			trans	-63	80.3	155.9	-82.6	-92.1	0	0	0	108
325	N	38.5	Very low	48	Very low	133 Å²	133	120.5 Å²	120.5	71%	0.711	65%	0.645	S	S	*	*			trans	-112.6	84	160.1	-95.4	-33.5	0	0	0	107.8	S323 H327	S323-N325 PolarHBondContact O-N 3.43Å; S323-N325 PolarHBondContact OG-ND2 3.36Å; N325-H327 VanDerWaalsContact C-N 3.26Å; N325-H327 PolarHBondContact O-N 3.3Å
326	V	38	Very low	46.7	Very low	117 Å²	117	122.4 Å²	122.4	71%	0.709	66%	0.662	S	S	*	*			trans	-60.9	97.6	151.5	176.8	0	0	0	0	104.9
327	H	36.9	Very low	46.1	Very low	139 Å²	139	124.2 Å²	124.2	64%	0.644	67%	0.667	S	S	*	*			trans	163.1	82.3	153	-91.7	75	0	0	0	108	N325	N325-H327 VanDerWaalsContact C-N 3.26Å; N325-H327 PolarHBondContact O-N 3.3Å
328	N	34.7	Very low	46.3	Very low	144 Å²	144	126.9 Å²	126.9	77%	0.77	68%	0.677	S	S	*	*			trans	165.2	98.3	138.1	-83.7	-21.4	0	0	0	110.6	S330	N328-S330 VanDerWaalsContact C-N 3.29Å; N328-S330 PolarHBondContact O-N 3.08Å
329	Y	30.5	Very low	47	Very low	204 Å²	204	128.3 Å²	128.3	80%	0.8	68%	0.683	S	S	*	*			trans	-72.7	80.7	163.1	6.9	-95.5	0	0	0	108.2
330	S	31.2	Very low	48.4	Very low	80 Å²	80	120.6 Å²	120.6	56%	0.559	65%	0.65	S	S	*	*	S	Bend	trans	-168.4	111.3	165.1	-173.2	0	0	0	0	111.7	N328 V332	N328-S330 VanDerWaalsContact C-N 3.29Å; N328-S330 PolarHBondContact O-N 3.08Å; S330-V332 PolarHBondContact O-N 3.03Å
331	T	34.3	Very low	50.1	Low	134 Å²	134	118.8 Å²	118.8	82%	0.822	63%	0.633	S	S	*	*	S	Bend	trans	59.2	46.7	147.8	60.9	0	0	0	0	120.8
332	V	35.8	Very low	52.3	Low	123 Å²	123	113 Å²	113	75%	0.745	60%	0.6	S	S	*	*			trans	-134.7	56.2	167.1	-157.2	0	0	0	0	113	S330	S330-V332 PolarHBondContact O-N 3.03Å
333	N	38.4	Very low	54.6	Low	168 Å²	168	108.7 Å²	108.7	90%	0.898	57%	0.568	S	S	*	*			trans	-103.6	17.3	171.8	-110.2	13.4	0	0	0	113.4
334	N	42.1	Very low	57.2	Low	136 Å²	136	105.8 Å²	105.8	73%	0.727	55%	0.547	S	S	*	.			trans	-119.4	13.5	-154.9	-110.3	16.1	0	0	0	119.2
335	H	51.2	Low	60	Low	153 Å²	153	95.2 Å²	95.2	71%	0.708	51%	0.506	S	S	*	.			trans	-140.2	63.7	177.3	-60	-69.9	0	0	0	113.2	K337	H335-K337 PolarHBondContact O-N 2.98Å
336	A	60.2	Low	62.7	Low	60 Å²	60	89.8 Å²	89.8	50%	0.496	48%	0.476	S	S	.	.			trans	-68.6	110.2	151.3	0	0	0	0	0	106.8	L317 K338	L317-A336 WeakPolarHBondContact O-CA 3.44Å; A336-K338 PolarHBondContact O-N 3.12Å
337	K	72.5	Confident	65.6	Low	112 Å²	112	84.4 Å²	84.4	49%	0.487	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	118.1	178.5	-166.7	173.6	-177.2	177.4	0	107.4	L317 H335	L317-K337 HydrophobicContact CB-CB 4.2Å; L317-K337 WeakPolarHBondContact CB-O 3.33Å; L317-K337 HydrophobicContact CD2-CB 4.2Å; L317-K337 PolarHBondContact N-O 3.09Å; H335-K337 PolarHBondContact O-N 2.98Å
338	K	80.1	Confident	68.4	Low	87 Å²	87	77.8 Å²	77.8	38%	0.378	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	138.6	175.8	-59.7	-171.8	-180	168.1	0	107.1	P289 S315 N316 A336	P289-K338 HydrophobicContact CG-CB 3.92Å; S315-K338 CarbonylContact O-C 3.48Å; S315-K338 WeakPolarHBondContact O-CA 3.48Å; N316-K338 WeakPolarHBondContact OD1-CG 3.11Å; A336-K338 PolarHBondContact O-N 3.12Å
339	S	83.8	Confident	71.2	Confident	55 Å²	55	72.6 Å²	72.6	39%	0.385	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	153.1	169.3	64	0	0	0	0	109.6	R314 S315	R314-S339 WeakPolarHBondContact CA-O 3.23Å; S315-S339 WeakPolarHBondContact CB-OG 3.4Å; S315-S339 PolarHBondContact N-O 3.29Å; S315-S339 PolarHBondContact O-N 3.21Å
340	A	87.9	Confident	74.3	Confident	4 Å²	4	62.9 Å²	62.9	3%	0.033	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	136.1	173.4	0	0	0	0	0	109.5	A291 R292 T313 R314	A291-A340 CarbonylContact C-O 3.46Å; A291-A340 VanDerWaalsContact CA-O 3.29Å; A291-A340 WeakPolarHBondContact CA-O 3.32Å; A291-A340 HydrophobicContact CB-CB 3.58Å; R292-A340 PolarHBondContact N-O 3.12Å; T313-A340 CarbonylContact O-C 3.45Å; T313-A340 VanDerWaalsContact O-CA 3.23Å; T313-A340 WeakPolarHBondContact O-CA 3.3Å; R314-A340 HydrophobicContact CG-CB 4.14Å
341	I	90	Very high	77.3	Confident	45 Å²	45	60.1 Å²	60.1	23%	0.231	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	133.6	-179.4	-61.9	174	0	0	0	108	R292 I294 V312 T313	R292-I341 CarbonylContact O-C 3.6Å; R292-I341 WeakPolarHBondContact O-CA 3.36Å; I294-I341 HydrophobicContact CD1-CG2 3.57Å; I294-I341 HydrophobicContact CG1-CG2 3.99Å; V312-I341 CarbonylContact C-O 3.5Å; V312-I341 WeakPolarHBondContact CA-O 3.32Å; T313-I341 PolarHBondContact N-O 3.18Å; T313-I341 PolarHBondContact O-N 2.74Å
342	K	92.3	Very high	80.2	Confident	49 Å²	49	53.8 Å²	53.8	21%	0.213	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	119.5	169.5	-75.3	-178.9	-178.1	-155.6	0	109.1	A291 R292 K293 I294 T310 L311 V312 D393	A291-K342 HydrophobicContact CB-CD 4.21Å; A291-K342 HydrophobicContact CB-CG 3.77Å; R292-K342 PolarHBondContact O-N 3.09Å; K293-K342 HydrophobicContact CB-CB 4.41Å; K293-K342 HydrophobicContact CG-CB 4.33Å; I294-K342 PolarHBondContact N-O 3.07Å; T310-K342 HydrophobicContact CG2-CB 3.87Å; T310-K342 HydrophobicContact CG2-CG 4.38Å; L311-K342 CarbonylContact O-C 3.59Å; L311-K342 VanDerWaalsContact O-CA 3.26Å; L311-K342 WeakPolarHBondContact O-CA 3.4Å; V312-K342 HydrophobicContact CB-CG 4.06Å; V312-K342 HydrophobicContact CG2-CG 4.07Å; K342-D393 WeakPolarHBondContact CD-OD2 3.48Å; K342-D393 WeakPolarHBondContact CE-OD2 3.09Å; K342-D393 VanDerWaalsContact NZ-CG 3.31Å; K342-D393 IonicContact NZ-OD1 3.25Å; K342-D393 PolarHBondContact NZ-OD1 3.29Å; K342-D393 IonicContact NZ-OD2 2.82Å; K342-D393 PolarHBondContact NZ-OD2 2.8Å
343	E	91.1	Very high	82.8	Confident	20 Å²	20	51.6 Å²	51.6	9%	0.093	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	127.4	-176.3	-169.8	179	159.1	0	0	110.6	W18 I294 T310 L311	W18-E343 VanDerWaalsContact CZ2-OE2 3.23Å; W18-E343 WeakPolarHBondContact CZ2-OE2 3.41Å; W18-E343 PolarHBondContact NE1-OE1 3.04Å; W18-E343 PolarHBondContact NE1-OE2 3.27Å; I294-E343 HydrophobicContact CD1-CB 4.33Å; I294-E343 HydrophobicContact CD1-CG 4.21Å; T310-E343 CarbonylContact C-O 3.54Å; T310-E343 WeakPolarHBondContact CA-O 3.37Å; L311-E343 PolarHBondContact N-O 3.11Å; L311-E343 PolarHBondContact O-N 3.39Å
344	P	95.1	Very high	85.4	Confident	24 Å²	24	45.3 Å²	45.3	16%	0.156	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	152.8	177.2	30.6	-34.1	0	0	0	111.3	I294 L296 C308 G309	I294-P344 WeakPolarHBondContact O-CD 3.28Å; L296-P344 HydrophobicContact CD1-CB 4.19Å; L296-P344 HydrophobicContact CD2-CB 3.73Å; L296-P344 HydrophobicContact CD2-CG 3.44Å; L296-P344 VanDerWaalsContact CD2-CG 3.44Å; L296-P344 HydrophobicContact CG-CB 3.73Å; L296-P344 HydrophobicContact CG-CG 3.63Å; C308-P344 VanDerWaalsContact SG-CB 3.54Å; G309-P344 WeakPolarHBondContact O-CA 3.5Å
345	F	94.9	Very high	87.8	Confident	12 Å²	12	44.2 Å²	44.2	5%	0.053	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	143	172.1	66.4	-94.2	0	0	0	111.5	C308 G309 L311 L348 L399	C308-F345 CarbonylContact C-O 3.55Å; C308-F345 WeakPolarHBondContact CA-O 3.33Å; G309-F345 VanDerWaalsContact C-CE1 3.46Å; G309-F345 PolarHBondContact N-O 3.41Å; G309-F345 PolarHBondContact O-N 2.96Å; L311-F345 HydrophobicContact CD1-CD1 4.32Å; L311-F345 HydrophobicContact CD2-CD1 4.45Å; L311-F345 HydrophobicContact CD2-CE1 4Å; L311-F345 HydrophobicContact CG-CD1 3.73Å; L311-F345 HydrophobicContact CG-CE1 3.77Å; F345-L348 HydrophobicContact CD1-CD2 3.99Å; F345-L348 HydrophobicContact CD2-CD2 3.75Å; F345-L348 HydrophobicContact CD2-CG 3.83Å; F345-L348 HydrophobicContact CE1-CD2 3.86Å; F345-L348 HydrophobicContact CE2-CD1 4.08Å; F345-L348 HydrophobicContact CE2-CD2 3.66Å; F345-L348 HydrophobicContact CE2-CG 3.49Å; F345-L348 VanDerWaalsContact CE2-CG 3.49Å; F345-L348 HydrophobicContact CG-CD2 3.92Å; F345-L348 HydrophobicContact CZ-CD1 4.09Å; F345-L348 HydrophobicContact CZ-CD2 3.69Å; F345-L348 HydrophobicContact CZ-CG 3.85Å; F345-L399 HydrophobicContact CE2-CD1 3.92Å; F345-L399 HydrophobicContact CZ-CD1 4.42Å
346	F	96.3	Very high	89.8	Confident	19 Å²	19	43.5 Å²	43.5	8%	0.083	24%	0.238	C	C	.	.	S	Bend	trans	-92.5	-24.5	165.9	-68.1	-56.9	0	0	0	112.7	L245 H249 L296 I303 F307 C308	L245-F346 HydrophobicContact CB-CB 4.4Å; L245-F346 HydrophobicContact CB-CD2 4.31Å; L245-F346 HydrophobicContact CB-CG 4.24Å; L245-F346 HydrophobicContact CD1-CB 4.02Å; H249-F346 HydrophobicContact CB-CE2 4.23Å; H249-F346 HydrophobicContact CB-CZ 3.77Å; H249-F346 AromaticContact CG-CZ 3.74Å; L296-F346 HydrophobicContact CD1-CE1 4.38Å; L296-F346 HydrophobicContact CD1-CE2 4.42Å; L296-F346 HydrophobicContact CD1-CZ 3.82Å; L296-F346 HydrophobicContact CD2-CE2 4.35Å; I303-F346 HydrophobicContact CG2-CE1 4.18Å; F307-F346 HydrophobicContact CB-CD1 3.8Å; F307-F346 HydrophobicContact CB-CE1 4.42Å; C308-F346 HydrophobicContact CB-CD1 4.37Å; C308-F346 HydrophobicContact CB-CE1 4.04Å
347	M	97.3	Very high	91.5	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.025	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	130.8	-176.3	-174.5	-179.6	-58.7	0	0	110.1	A238 L241 H349 I400 Q402	A238-M347 HydrophobicContact CB-SD 4.18Å; L241-M347 HydrophobicContact CB-CE 3.99Å; L241-M347 HydrophobicContact CD2-CE 3.71Å; L241-M347 HydrophobicContact CG-CE 3.95Å; M347-H349 PolarHBondContact O-CD2 2.87Å; M347-I400 WeakPolarHBondContact CA-O 3.49Å; M347-I400 HydrophobicContact CB-CB 4.48Å; M347-I400 HydrophobicContact CB-CG2 4.45Å; M347-I400 HydrophobicContact CE-CG2 3.89Å; M347-I400 HydrophobicContact CG-CB 4.38Å; M347-I400 HydrophobicContact CG-CG2 3.95Å; M347-I400 HydrophobicContact SD-CG2 4.49Å; M347-Q402 HydrophobicContact CG-CB 4.13Å; M347-Q402 HydrophobicContact SD-CB 3.6Å; M347-Q402 VanDerWaalsContact SD-CB 3.6Å; M347-Q402 HydrophobicContact SD-CG 4.44Å
348	L	96.2	Very high	92.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	121.5	169.6	-71	178.4	0	0	0	110	L311 F345 V350 L364 L367 L399 I400 I401 Q402	L311-L348 HydrophobicContact CD1-CD2 4.15Å; L311-L348 HydrophobicContact CD2-CD2 4.3Å; L311-L348 HydrophobicContact CG-CD2 4.43Å; F345-L348 HydrophobicContact CD1-CD2 3.99Å; F345-L348 HydrophobicContact CD2-CD2 3.75Å; F345-L348 HydrophobicContact CD2-CG 3.83Å; F345-L348 HydrophobicContact CE1-CD2 3.86Å; F345-L348 HydrophobicContact CE2-CD1 4.08Å; F345-L348 HydrophobicContact CE2-CD2 3.66Å; F345-L348 HydrophobicContact CE2-CG 3.49Å; F345-L348 VanDerWaalsContact CE2-CG 3.49Å; F345-L348 HydrophobicContact CG-CD2 3.92Å; F345-L348 HydrophobicContact CZ-CD1 4.09Å; F345-L348 HydrophobicContact CZ-CD2 3.69Å; F345-L348 HydrophobicContact CZ-CG 3.85Å; L348-V350 HydrophobicContact CB-CG1 4.38Å; L348-V350 PolarHBondContact O-N 3.23Å; L348-L364 HydrophobicContact CD1-CD2 3.78Å; L348-L367 HydrophobicContact CD2-CD2 4.2Å; L348-L399 HydrophobicContact CD1-CD1 3.94Å; L348-L399 HydrophobicContact CG-CD1 4.36Å; L348-I400 PolarHBondContact N-O 3.31Å; L348-I401 CarbonylContact O-C 3.49Å; L348-I401 WeakPolarHBondContact O-CA 3.48Å; L348-Q402 PolarHBondContact O-N 2.92Å
349	H	94.9	Very high	93.4	Very high	34 Å²	34	36.6 Å²	36.6	16%	0.157	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	86.9	178.3	-55.9	-83.7	0	0	0	109.6	Q14 M347 P351 Q402 K404	Q14-H349 PolarHBondContact OE1-CD2 3.29Å; Q14-H349 VanDerWaalsContact OE1-CD2 3.24Å; M347-H349 PolarHBondContact O-CD2 2.87Å; H349-P351 WeakPolarHBondContact O-CD 3.23Å; H349-Q402 PolarHBondContact ND1-OE1 2.96Å; H349-K404 HydrophobicContact CB-CD 4.06Å; H349-K404 HydrophobicContact CB-CG 4.24Å
350	V	95.5	Very high	94	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	123.4	-173.5	-60.1	0	0	0	0	112.2	L348 A363 L364 L367 I401 Q402 L403 K404	L348-V350 HydrophobicContact CB-CG1 4.38Å; L348-V350 PolarHBondContact O-N 3.23Å; V350-A363 HydrophobicContact CB-CB 3.88Å; V350-A363 HydrophobicContact CG2-CB 3.87Å; V350-L364 HydrophobicContact CG1-CD2 3.75Å; V350-L364 HydrophobicContact CG1-CG 4.37Å; V350-L367 HydrophobicContact CG1-CD2 4.2Å; V350-I401 HydrophobicContact CB-CG2 4.33Å; V350-I401 HydrophobicContact CG1-CG2 3.85Å; V350-I401 HydrophobicContact CG2-CG2 3.52Å; V350-Q402 WeakPolarHBondContact CG2-O 3.44Å; V350-Q402 PolarHBondContact N-O 3.19Å; V350-L403 HydrophobicContact CG2-CD2 3.48Å; V350-L403 VanDerWaalsContact CG2-CD2 3.48Å; V350-K404 PolarHBondContact O-N 3.04Å
351	P	93.1	Very high	94.4	Very high	22 Å²	22	36 Å²	36	14%	0.143	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	145.2	172.4	26.4	-35.1	0	0	0	112.2	H349 D353 Y366	H349-P351 WeakPolarHBondContact O-CD 3.23Å; P351-D353 WeakPolarHBondContact CB-OD1 3.21Å; P351-Y366 HydrophobicContact CB-CD1 4.05Å; P351-Y366 HydrophobicContact CB-CE1 3.95Å; P351-Y366 HydrophobicContact CG-CD1 3.55Å; P351-Y366 HydrophobicContact CG-CE1 3.78Å
352	I	95.1	Very high	94.7	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	19%	0.19	C	C	.	.			trans	-134.2	6.3	-179.8	63.8	163.7	0	0	0	113.1	V357 L403 K404 R405 H440 K442 V444	I352-V357 HydrophobicContact CB-CG1 4.42Å; I352-V357 HydrophobicContact CG2-CG1 4.27Å; I352-L403 HydrophobicContact CG2-CB 4.39Å; I352-L403 HydrophobicContact CG2-CD2 4.25Å; I352-K404 WeakPolarHBondContact CG1-O 3.46Å; I352-R405 HydrophobicContact CD1-CG 3.84Å; I352-H440 HydrophobicContact CD1-CB 3.93Å; I352-H440 HydrophobicContact CG1-CB 4.43Å; I352-K442 WeakPolarHBondContact O-CD 3.38Å; I352-V444 HydrophobicContact CB-CG2 4.37Å; I352-V444 HydrophobicContact CD1-CG2 4.27Å; I352-V444 HydrophobicContact CG2-CG2 4.12Å
353	D	91.5	Very high	94.9	Very high	78 Å²	78	32.5 Å²	32.5	42%	0.417	18%	0.18	S	C	.	.			trans	-69.8	-34.5	-178.8	59.6	-34.6	0	0	0	112	P351	P351-D353 WeakPolarHBondContact CB-OD1 3.21Å
354	N	91.5	Very high	95.1	Very high	36 Å²	36	31.8 Å²	31.8	19%	0.193	18%	0.176	C	C	.	.	S	Bend	trans	-61.5	125.6	175.5	-175.2	-43.2	0	0	0	110.9	L356 V357 Y366 K442	N354-L356 PolarHBondContact O-N 3.33Å; N354-L356 VanDerWaalsContact O-N 3.11Å; N354-L356 WeakPolarHBondContact OD1-CB 3.36Å; N354-L356 PolarHBondContact OD1-N 3.46Å; N354-V357 HydrophobicContact CB-CG2 3.93Å; N354-V357 WeakPolarHBondContact O-CB 3.47Å; N354-V357 PolarHBondContact O-N 3.2Å; N354-Y366 HydrophobicContact CB-CD1 4.16Å; N354-Y366 HydrophobicContact CB-CD2 4.37Å; N354-Y366 HydrophobicContact CB-CE1 3.85Å; N354-Y366 HydrophobicContact CB-CE2 4.04Å; N354-Y366 HydrophobicContact CB-CG 4.46Å; N354-Y366 WeakPolarHBondContact ND2-CE2 3.38Å; N354-K442 PolarHBondContact O-NZ 3.21Å
355	P	92.3	Very high	95.1	Very high	112 Å²	112	35.3 Å²	35.3	73%	0.727	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-34.2	179.8	-28.6	35.9	0	0	0	114.7	V357 K442	P355-V357 VanDerWaalsContact C-N 3.28Å; P355-V357 PolarHBondContact O-N 3.17Å; P355-K442 PolarHBondContact O-NZ 3.19Å
356	L	93.4	Very high	95.1	Very high	139 Å²	139	38.4 Å²	38.4	73%	0.728	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-20.1	-179.1	-57.5	177.5	0	0	0	113.4	N354 N358	N354-L356 PolarHBondContact O-N 3.33Å; N354-L356 VanDerWaalsContact O-N 3.11Å; N354-L356 WeakPolarHBondContact OD1-CB 3.36Å; N354-L356 PolarHBondContact OD1-N 3.46Å; L356-N358 PolarHBondContact O-N 3.22Å; L356-N358 VanDerWaalsContact O-N 3.14Å; L356-N358 PolarHBondContact O-ND2 3.32Å
357	V	95.9	Very high	94.8	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.018	21%	0.207	C	C	.	.			trans	-79.3	94.1	-178.4	174.8	0	0	0	0	111.3	I352 N354 P355 S362 A363 Y366 K442	I352-V357 HydrophobicContact CB-CG1 4.42Å; I352-V357 HydrophobicContact CG2-CG1 4.27Å; N354-V357 HydrophobicContact CB-CG2 3.93Å; N354-V357 WeakPolarHBondContact O-CB 3.47Å; N354-V357 PolarHBondContact O-N 3.2Å; P355-V357 VanDerWaalsContact C-N 3.28Å; P355-V357 PolarHBondContact O-N 3.17Å; V357-S362 WeakPolarHBondContact CA-OG 3.32Å; V357-A363 HydrophobicContact CG1-CB 3.48Å; V357-A363 VanDerWaalsContact CG1-CB 3.48Å; V357-Y366 HydrophobicContact CG2-CD1 3.96Å; V357-Y366 HydrophobicContact CG2-CG 3.85Å; V357-K442 WeakPolarHBondContact O-CE 3.43Å; V357-K442 PolarHBondContact O-NZ 3.44Å
358	N	95.8	Very high	94.5	Very high	99 Å²	99	40 Å²	40	53%	0.529	21%	0.209	S	C	.	.			trans	-113.5	0.8	-176	59	41.9	0	0	0	114.2	L356 S362 N445	L356-N358 PolarHBondContact O-N 3.22Å; L356-N358 VanDerWaalsContact O-N 3.14Å; L356-N358 PolarHBondContact O-ND2 3.32Å; N358-S362 PolarHBondContact N-OG 2.72Å; N358-N445 WeakPolarHBondContact O-CB 3.41Å; N358-N445 PolarHBondContact O-N 2.92Å
359	S	97.1	Very high	94.2	Very high	12 Å²	12	45.8 Å²	45.8	8%	0.084	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-147.4	160.1	-179.1	61.3	0	0	0	0	111.2	E361 S362 A363 N445	S359-E361 PolarHBondContact O-N 3.41Å; S359-S362 PolarHBondContact N-OG 3.41Å; S359-S362 PolarHBondContact O-N 3.1Å; S359-S362 PolarHBondContact O-OG 3.47Å; S359-S362 WeakPolarHBondContact OG-CB 3.45Å; S359-S362 PolarHBondContact OG-N 2.85Å; S359-S362 VanDerWaalsContact OG-N 3.09Å; S359-S362 PolarHBondContact OG-OG 3.11Å; S359-A363 PolarHBondContact O-N 3.28Å; S359-N445 WeakPolarHBondContact CA-O 3.4Å
360	V	97.4	Very high	93.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-54.7	-42	173.1	177.8	0	0	0	0	111	A363 L364 I401 V444 N445 I446 L450 L585	V360-A363 WeakPolarHBondContact O-CB 3.49Å; V360-A363 PolarHBondContact O-N 3.11Å; V360-L364 HydrophobicContact CG1-CD1 4.29Å; V360-L364 WeakPolarHBondContact O-CG 3.35Å; V360-L364 PolarHBondContact O-N 3.11Å; V360-I401 HydrophobicContact CG1-CD1 3.83Å; V360-V444 HydrophobicContact CG2-CG1 4.39Å; V360-N445 PolarHBondContact N-O 3.32Å; V360-N445 VanDerWaalsContact N-O 3.08Å; V360-I446 HydrophobicContact CG2-CB 4.49Å; V360-I446 HydrophobicContact CG2-CG1 3.98Å; V360-L450 HydrophobicContact CG1-CD1 4.39Å; V360-L450 HydrophobicContact CG1-CD2 4.22Å; V360-L585 HydrophobicContact CG1-CD1 4.45Å; V360-L585 HydrophobicContact CG2-CD1 3.49Å; V360-L585 VanDerWaalsContact CG2-CD1 3.49Å
361	E	96.1	Very high	93.3	Very high	46 Å²	46	51.1 Å²	51.1	22%	0.215	26%	0.264	C	S	.	.	H	α-helix	trans	-63.6	-44.9	178.8	-162.7	-169.6	144.3	0	0	112.4	S359 A363 L364 R365 Q447 P453	S359-E361 PolarHBondContact O-N 3.41Å; E361-A363 VanDerWaalsContact C-N 3.28Å; E361-A363 PolarHBondContact O-N 3.13Å; E361-L364 PolarHBondContact O-N 2.95Å; E361-R365 VanDerWaalsContact CD-NH1 3.31Å; E361-R365 PolarHBondContact O-N 3.23Å; E361-R365 IonicContact OE1-CZ 3.59Å; E361-R365 IonicContact OE1-NH1 2.75Å; E361-R365 PolarHBondContact OE1-NH1 3.49Å; E361-R365 IonicContact OE1-NH2 3.09Å; E361-R365 PolarHBondContact OE1-NH2 2.97Å; E361-Q447 PolarHBondContact OE2-NE2 2.77Å; E361-P453 HydrophobicContact CG-CG 3.71Å
362	S	96	Very high	92.8	Very high	21 Å²	21	54.9 Å²	54.9	15%	0.147	28%	0.279	C	S	.	.	H	α-helix	trans	-65.7	-30.9	174.2	62.9	0	0	0	0	112.9	V357 N358 S359 R365 Y366	V357-S362 WeakPolarHBondContact CA-OG 3.32Å; N358-S362 PolarHBondContact N-OG 2.72Å; S359-S362 PolarHBondContact N-OG 3.41Å; S359-S362 PolarHBondContact O-N 3.1Å; S359-S362 PolarHBondContact O-OG 3.47Å; S359-S362 WeakPolarHBondContact OG-CB 3.45Å; S359-S362 PolarHBondContact OG-N 2.85Å; S359-S362 VanDerWaalsContact OG-N 3.09Å; S359-S362 PolarHBondContact OG-OG 3.11Å; S362-R365 PolarHBondContact O-N 2.82Å; S362-Y366 WeakPolarHBondContact O-CB 3.21Å; S362-Y366 PolarHBondContact O-N 2.9Å
363	A	96.2	Very high	92.1	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-69.6	-41.2	176.6	0	0	0	0	0	111.1	V350 V357 S359 V360 E361 R365 Y366 L367	V350-A363 HydrophobicContact CB-CB 3.88Å; V350-A363 HydrophobicContact CG2-CB 3.87Å; V357-A363 HydrophobicContact CG1-CB 3.48Å; V357-A363 VanDerWaalsContact CG1-CB 3.48Å; S359-A363 PolarHBondContact O-N 3.28Å; V360-A363 WeakPolarHBondContact O-CB 3.49Å; V360-A363 PolarHBondContact O-N 3.11Å; E361-A363 VanDerWaalsContact C-N 3.28Å; E361-A363 PolarHBondContact O-N 3.13Å; A363-R365 VanDerWaalsContact C-N 3.35Å; A363-Y366 PolarHBondContact O-N 3.37Å; A363-L367 PolarHBondContact O-N 2.62Å
364	L	95.8	Very high	91.3	Very high	5 Å²	5	57.2 Å²	57.2	3%	0.026	30%	0.295	C	S	.	.	H	α-helix	trans	-64.1	-38.2	172.5	-69.1	169.9	0	0	0	112	L348 V350 V360 E361 L367 A368 I401 L450 I452 L456	L348-L364 HydrophobicContact CD1-CD2 3.78Å; V350-L364 HydrophobicContact CG1-CD2 3.75Å; V350-L364 HydrophobicContact CG1-CG 4.37Å; V360-L364 HydrophobicContact CG1-CD1 4.29Å; V360-L364 WeakPolarHBondContact O-CG 3.35Å; V360-L364 PolarHBondContact O-N 3.11Å; E361-L364 PolarHBondContact O-N 2.95Å; L364-L367 PolarHBondContact O-N 3.09Å; L364-A368 PolarHBondContact O-N 2.8Å; L364-I401 HydrophobicContact CD1-CD1 4.4Å; L364-I401 HydrophobicContact CD2-CD1 4.48Å; L364-L450 HydrophobicContact CD1-CD2 4.33Å; L364-I452 HydrophobicContact CD1-CD1 4.07Å; L364-L456 HydrophobicContact CB-CD1 3.57Å
365	R	95.2	Very high	90.3	Very high	97 Å²	97	60.8 Å²	60.8	37%	0.366	31%	0.314	S	S	.	.	H	α-helix	trans	-62.1	-45	172.4	-74.8	-169.7	-178.6	92.9	6.6	112.4	E361 S362 A363 L367 A368 E369 E455 L456	E361-R365 VanDerWaalsContact CD-NH1 3.31Å; E361-R365 PolarHBondContact O-N 3.23Å; E361-R365 IonicContact OE1-CZ 3.59Å; E361-R365 IonicContact OE1-NH1 2.75Å; E361-R365 PolarHBondContact OE1-NH1 3.49Å; E361-R365 IonicContact OE1-NH2 3.09Å; E361-R365 PolarHBondContact OE1-NH2 2.97Å; S362-R365 PolarHBondContact O-N 2.82Å; A363-R365 VanDerWaalsContact C-N 3.35Å; R365-L367 VanDerWaalsContact C-N 3.33Å; R365-A368 CarbonylContact O-C 3.59Å; R365-A368 PolarHBondContact O-N 2.92Å; R365-A368 VanDerWaalsContact O-N 3.12Å; R365-E369 PolarHBondContact O-N 2.95Å; R365-E369 VanDerWaalsContact O-N 3.12Å; R365-E455 IonicContact CZ-OE1 3.72Å; R365-E455 IonicContact NE-OE1 3.43Å; R365-E455 PolarHBondContact NE-OE1 3.27Å; R365-E455 IonicContact NH2-OE1 3.64Å; R365-E455 PolarHBondContact NH2-OE1 3.35Å; R365-L456 HydrophobicContact CB-CD2 4.5Å; R365-L456 HydrophobicContact CG-CD2 4.05Å
366	Y	93.6	Very high	89.1	Confident	77 Å²	77	58 Å²	58	30%	0.302	29%	0.289	S	S	.	.	H	α-helix	trans	-66.4	-36.1	179.1	-177	-117.9	0	0	0	111.8	P351 N354 V357 S362 A363 A368 E369	P351-Y366 HydrophobicContact CB-CD1 4.05Å; P351-Y366 HydrophobicContact CB-CE1 3.95Å; P351-Y366 HydrophobicContact CG-CD1 3.55Å; P351-Y366 HydrophobicContact CG-CE1 3.78Å; N354-Y366 HydrophobicContact CB-CD1 4.16Å; N354-Y366 HydrophobicContact CB-CD2 4.37Å; N354-Y366 HydrophobicContact CB-CE1 3.85Å; N354-Y366 HydrophobicContact CB-CE2 4.04Å; N354-Y366 HydrophobicContact CB-CG 4.46Å; N354-Y366 WeakPolarHBondContact ND2-CE2 3.38Å; V357-Y366 HydrophobicContact CG2-CD1 3.96Å; V357-Y366 HydrophobicContact CG2-CG 3.85Å; S362-Y366 WeakPolarHBondContact O-CB 3.21Å; S362-Y366 PolarHBondContact O-N 2.9Å; A363-Y366 PolarHBondContact O-N 3.37Å; Y366-A368 PolarHBondContact O-N 2.65Å; Y366-E369 VanDerWaalsContact CD2-OE2 3.25Å; Y366-E369 WeakPolarHBondContact CD2-OE2 3.25Å; Y366-E369 WeakPolarHBondContact O-CB 3.24Å; Y366-E369 PolarHBondContact O-N 2.79Å
367	L	90.6	Very high	88.1	Confident	49 Å²	49	56.8 Å²	56.8	26%	0.257	28%	0.279	S	S	.	.	H	α-helix	trans	-60.7	-31.7	171.2	-175.7	68.1	0	0	0	112.9	L348 V350 A363 L364 R365	L348-L367 HydrophobicContact CD2-CD2 4.2Å; V350-L367 HydrophobicContact CG1-CD2 4.2Å; A363-L367 PolarHBondContact O-N 2.62Å; L364-L367 PolarHBondContact O-N 3.09Å; R365-L367 VanDerWaalsContact C-N 3.33Å
368	A	91.4	Very high	86.6	Confident	9 Å²	9	58 Å²	58	7%	0.074	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	6.5	-179.3	0	0	0	0	0	114.1	L364 R365 Y366 R389 S390 L456	L364-A368 PolarHBondContact O-N 2.8Å; R365-A368 CarbonylContact O-C 3.59Å; R365-A368 PolarHBondContact O-N 2.92Å; R365-A368 VanDerWaalsContact O-N 3.12Å; Y366-A368 PolarHBondContact O-N 2.65Å; A368-R389 WeakPolarHBondContact O-CG 3.42Å; A368-R389 PolarHBondContact O-NE 3.42Å; A368-R389 VanDerWaalsContact O-NE 3.13Å; A368-S390 WeakPolarHBondContact CA-O 3.42Å; A368-S390 WeakPolarHBondContact CB-O 3.46Å; A368-L456 HydrophobicContact CB-CD2 3.67Å
369	E	89.7	Confident	85.4	Confident	121 Å²	121	56.8 Å²	56.8	57%	0.565	29%	0.285	S	S	*	.	S	Bend	trans	-68.5	156.7	177.9	-165.1	166	-179.8	0	0	110.6	R365 Y366 E371	R365-E369 PolarHBondContact O-N 2.95Å; R365-E369 VanDerWaalsContact O-N 3.12Å; Y366-E369 VanDerWaalsContact CD2-OE2 3.25Å; Y366-E369 WeakPolarHBondContact CD2-OE2 3.25Å; Y366-E369 WeakPolarHBondContact O-CB 3.24Å; Y366-E369 PolarHBondContact O-N 2.79Å; E369-E371 PolarHBondContact O-N 2.86Å
370	L	87	Confident	84	Confident	90 Å²	90	62 Å²	62	47%	0.471	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-70.5	120.7	176.5	-176	71.9	0	0	0	109.3	R387 R389	L370-R387 HydrophobicContact CD1-CB 4.18Å; L370-R389 HydrophobicContact CD1-CB 4.1Å
371	E	85	Confident	82.3	Confident	57 Å²	57	66.4 Å²	66.4	27%	0.266	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	131.8	173.2	-172.8	175.6	-160.9	0	0	109.6	K15 E369 I373 R387 R388	K15-E371 IonicContact NZ-OE1 2.71Å; K15-E371 PolarHBondContact NZ-OE1 3.13Å; E369-E371 PolarHBondContact O-N 2.86Å; E371-I373 HydrophobicContact CG-CG1 4.15Å; E371-R387 WeakPolarHBondContact O-CA 3.41Å; E371-R388 PolarHBondContact N-O 2.88Å; E371-R388 PolarHBondContact O-N 2.89Å; E371-R388 IonicContact OE2-CZ 2.74Å; E371-R388 VanDerWaalsContact OE2-CZ 3.3Å; E371-R388 IonicContact OE2-NE 3.76Å; E371-R388 PolarHBondContact OE2-NE 3.31Å; E371-R388 IonicContact OE2-NH2 3.83Å; E371-R388 PolarHBondContact OE2-NH2 2.93Å
372	E	82.8	Confident	80.9	Confident	101 Å²	101	70.3 Å²	70.3	47%	0.472	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	115.5	171.6	-58.3	-157.4	155.1	0	0	109.2	L385 V386 R387	E372-L385 HydrophobicContact CB-CD1 4.19Å; E372-V386 WeakPolarHBondContact CA-O 3.44Å; E372-R387 HydrophobicContact CG-CG 4.16Å; E372-R387 IonicContact OE1-CZ 3.14Å; E372-R387 IonicContact OE1-NE 2.72Å; E372-R387 PolarHBondContact OE1-NE 3.3Å; E372-R387 IonicContact OE1-NH2 2.97Å; E372-R387 PolarHBondContact OE1-NH2 2.96Å; E372-R387 IonicContact OE2-NH2 2.93Å
373	I	80.5	Confident	79.3	Confident	33 Å²	33	74.1 Å²	74.1	17%	0.169	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	113.7	176.8	-54.7	171.1	0	0	0	106.9	E371 D375 V386	E371-I373 HydrophobicContact CG-CG1 4.15Å; I373-D375 WeakPolarHBondContact CG2-OD1 3.2Å; I373-V386 HydrophobicContact CB-CB 4.27Å; I373-V386 PolarHBondContact N-O 2.98Å; I373-V386 PolarHBondContact O-N 3.47Å
374	T	73.8	Confident	78.2	Confident	94 Å²	94	74.4 Å²	74.4	58%	0.577	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	-13.2	-171.3	48.3	0	0	0	0	114.2	I383 L385	T374-I383 WeakPolarHBondContact O-CG2 3.29Å; T374-L385 HydrophobicContact CG2-CD1 3.75Å
375	D	71.7	Confident	77.3	Confident	111 Å²	111	76.1 Å²	76.1	59%	0.594	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.7	17.5	-171.9	56.2	-31.9	0	0	0	112.4	I373 H377	I373-D375 WeakPolarHBondContact CG2-OD1 3.2Å; D375-H377 PolarHBondContact O-CD2 3.26Å; D375-H377 PolarHBondContact O-N 2.73Å
376	Y	67.1	Low	76.7	Confident	54 Å²	54	72.1 Å²	72.1	21%	0.212	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	116.8	177.8	-172.6	-97	0	0	0	110.5	S22 L317 N378 I383 S384 V386	S22-Y376 PolarHBondContact OG-OH 3.42Å; L317-Y376 HydrophobicContact CD1-CD1 4.31Å; Y376-N378 VanDerWaalsContact CD1-OD1 3.27Å; Y376-N378 WeakPolarHBondContact CD1-OD1 3.28Å; Y376-N378 WeakPolarHBondContact CE1-OD1 3.45Å; Y376-I383 WeakPolarHBondContact O-CA 3.42Å; Y376-S384 PolarHBondContact O-N 3.21Å; Y376-V386 HydrophobicContact CD1-CG2 3.63Å; Y376-V386 HydrophobicContact CD2-CG2 4.28Å; Y376-V386 HydrophobicContact CE1-CG2 4.36Å; Y376-V386 HydrophobicContact CG-CG2 3.58Å
377	H	70.6	Confident	76.3	Confident	113 Å²	113	73.2 Å²	73.2	52%	0.523	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	114.7	170.6	-69.6	-82.6	0	0	0	109.3	D375 S381 I383	D375-H377 PolarHBondContact O-CD2 3.26Å; D375-H377 PolarHBondContact O-N 2.73Å; H377-S381 PolarHBondContact ND1-O 2.84Å; H377-I383 VanDerWaalsContact CE1-CG1 3.46Å; H377-I383 WeakPolarHBondContact CE1-CG1 3.41Å
378	N	65.1	Low	76.2	Confident	28 Å²	28	72.4 Å²	72.4	15%	0.15	37%	0.373	C	S	.	.			trans	-66	170.2	168	-71.2	-26.9	0	0	0	110.7	L317 Y376 D380 S381 Q382 S384	L317-N378 WeakPolarHBondContact CD1-OD1 3.36Å; L317-N378 WeakPolarHBondContact CD2-ND2 3.34Å; Y376-N378 VanDerWaalsContact CD1-OD1 3.27Å; Y376-N378 WeakPolarHBondContact CD1-OD1 3.28Å; Y376-N378 WeakPolarHBondContact CE1-OD1 3.45Å; N378-D380 PolarHBondContact O-N 2.84Å; N378-S381 WeakPolarHBondContact O-CA 3.29Å; N378-S381 PolarHBondContact O-N 2.61Å; N378-Q382 PolarHBondContact N-O 3.14Å; N378-Q382 VanDerWaalsContact N-O 3.15Å; N378-S384 PolarHBondContact ND2-OG 3.27Å
379	S	70	Confident	76.1	Confident	74 Å²	74	77.1 Å²	77.1	52%	0.517	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.1	-32.8	167.9	50.9	0	0	0	0	113.3	S381	S379-S381 PolarHBondContact O-N 2.9Å
380	D	68.2	Low	76.2	Confident	121 Å²	121	72 Å²	72	65%	0.647	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	12.6	-178.1	-52.1	-13.4	0	0	0	112.7	N378 Q382	N378-D380 PolarHBondContact O-N 2.84Å; D380-Q382 PolarHBondContact O-N 2.85Å
381	S	62.7	Low	76.5	Confident	93 Å²	93	69 Å²	69	65%	0.65	35%	0.351	S	S	*	.			trans	59.1	3.1	-175.9	-56.9	0	0	0	0	115.8	H377 N378 S379	H377-S381 PolarHBondContact ND1-O 2.84Å; N378-S381 WeakPolarHBondContact O-CA 3.29Å; N378-S381 PolarHBondContact O-N 2.61Å; S379-S381 PolarHBondContact O-N 2.9Å
382	Q	65.7	Low	77	Confident	129 Å²	129	66.7 Å²	66.7	60%	0.603	34%	0.34	S	S	*	.			trans	-73.3	128.9	173.7	-81.5	-176.6	-9.4	0	0	111.4	N378 D380 S384	N378-Q382 PolarHBondContact N-O 3.14Å; N378-Q382 VanDerWaalsContact N-O 3.15Å; D380-Q382 PolarHBondContact O-N 2.85Å; Q382-S384 PolarHBondContact O-N 3.32Å
383	I	63.5	Low	77.4	Confident	100 Å²	100	62.6 Å²	62.6	51%	0.513	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	121.2	170.8	-60	170.7	0	0	0	108.3	T374 Y376 H377	T374-I383 WeakPolarHBondContact O-CG2 3.29Å; Y376-I383 WeakPolarHBondContact O-CA 3.42Å; H377-I383 VanDerWaalsContact CE1-CG1 3.46Å; H377-I383 WeakPolarHBondContact CE1-CG1 3.41Å
384	S	71.9	Confident	78	Confident	6 Å²	6	64.8 Å²	64.8	4%	0.042	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	149.9	-179.1	-63.8	0	0	0	0	111.4	Y376 N378 Q382 V386	Y376-S384 PolarHBondContact O-N 3.21Å; N378-S384 PolarHBondContact ND2-OG 3.27Å; Q382-S384 PolarHBondContact O-N 3.32Å; S384-V386 PolarHBondContact O-N 2.91Å
385	L	77.7	Confident	79	Confident	42 Å²	42	61 Å²	61	22%	0.22	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	114.5	172.7	178.8	67.8	0	0	0	108.9	G318 E372 T374	G318-L385 PolarHBondContact N-O 3.28Å; G318-L385 PolarHBondContact O-N 2.89Å; E372-L385 HydrophobicContact CB-CD1 4.19Å; T374-L385 HydrophobicContact CG2-CD1 3.75Å
386	V	81.9	Confident	80.1	Confident	13 Å²	13	55.9 Å²	55.9	8%	0.079	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	123.6	173	175.8	0	0	0	0	109	L317 E372 I373 Y376 S384	L317-V386 HydrophobicContact CD1-CG2 3.5Å; L317-V386 VanDerWaalsContact CD1-CG2 3.5Å; E372-V386 WeakPolarHBondContact CA-O 3.44Å; I373-V386 HydrophobicContact CB-CB 4.27Å; I373-V386 PolarHBondContact N-O 2.98Å; I373-V386 PolarHBondContact O-N 3.47Å; Y376-V386 HydrophobicContact CD1-CG2 3.63Å; Y376-V386 HydrophobicContact CD2-CG2 4.28Å; Y376-V386 HydrophobicContact CE1-CG2 4.36Å; Y376-V386 HydrophobicContact CG-CG2 3.58Å; S384-V386 PolarHBondContact O-N 2.91Å
387	R	84.8	Confident	81.5	Confident	100 Å²	100	54.1 Å²	54.1	38%	0.377	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	115	170.1	-78.2	-175.8	170.8	101.7	7.6	109.1	S315 N316 L370 E371 E372	S315-R387 CarbonylContact C-O 3.57Å; S315-R387 VanDerWaalsContact CA-O 3.24Å; S315-R387 WeakPolarHBondContact CA-O 2.93Å; N316-R387 PolarHBondContact N-O 3.14Å; N316-R387 PolarHBondContact O-N 3.08Å; L370-R387 HydrophobicContact CD1-CB 4.18Å; E371-R387 WeakPolarHBondContact O-CA 3.41Å; E372-R387 HydrophobicContact CG-CG 4.16Å; E372-R387 IonicContact OE1-CZ 3.14Å; E372-R387 IonicContact OE1-NE 2.72Å; E372-R387 PolarHBondContact OE1-NE 3.3Å; E372-R387 IonicContact OE1-NH2 2.97Å; E372-R387 PolarHBondContact OE1-NH2 2.96Å; E372-R387 IonicContact OE2-NH2 2.93Å
388	R	88.7	Confident	82.7	Confident	31 Å²	31	49 Å²	49	12%	0.117	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	137.8	-176.4	-175.6	175.9	77.5	173.8	7	110.7	T313 R314 E371	T313-R388 HydrophobicContact CG2-CG 3.34Å; R314-R388 WeakPolarHBondContact O-CA 3.48Å; E371-R388 PolarHBondContact N-O 2.88Å; E371-R388 PolarHBondContact O-N 2.89Å; E371-R388 IonicContact OE2-CZ 2.74Å; E371-R388 VanDerWaalsContact OE2-CZ 3.3Å; E371-R388 IonicContact OE2-NE 3.76Å; E371-R388 PolarHBondContact OE2-NE 3.31Å; E371-R388 IonicContact OE2-NH2 3.83Å; E371-R388 PolarHBondContact OE2-NH2 2.93Å
389	R	90.3	Very high	84.3	Confident	108 Å²	108	47.7 Å²	47.7	41%	0.408	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	132.2	171.8	-172.6	175.1	-178.6	-173	-6.5	111	T313 R314 A368 L370	T313-R389 CarbonylContact C-O 3.56Å; T313-R389 WeakPolarHBondContact CA-O 3.27Å; R314-R389 PolarHBondContact N-O 2.9Å; R314-R389 PolarHBondContact O-N 3.12Å; A368-R389 WeakPolarHBondContact O-CG 3.42Å; A368-R389 PolarHBondContact O-NE 3.42Å; A368-R389 VanDerWaalsContact O-NE 3.13Å; L370-R389 HydrophobicContact CD1-CB 4.1Å
390	S	91.9	Very high	85.6	Confident	15 Å²	15	44.2 Å²	44.2	11%	0.105	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	141.4	176.2	-57.3	0	0	0	0	111.1	W18 V312 T313 A368	W18-S390 WeakPolarHBondContact CH2-OG 3.41Å; V312-S390 CarbonylContact O-C 3.54Å; V312-S390 WeakPolarHBondContact O-CA 3.4Å; T313-S390 PolarHBondContact OG1-OG 3.09Å; A368-S390 WeakPolarHBondContact CA-O 3.42Å; A368-S390 WeakPolarHBondContact CB-O 3.46Å
391	M	93	Very high	87.1	Confident	25 Å²	25	38.4 Å²	38.4	12%	0.123	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	155.8	175.8	-63	179.8	-65.5	0	0	108.9	L311 V312 D393 L456	L311-M391 CarbonylContact C-O 3.51Å; L311-M391 VanDerWaalsContact CA-O 3.27Å; L311-M391 WeakPolarHBondContact CA-O 3.42Å; V312-M391 HydrophobicContact CG1-CB 4.04Å; V312-M391 HydrophobicContact CG1-CE 4.23Å; V312-M391 PolarHBondContact N-O 3.12Å; V312-M391 PolarHBondContact O-N 3.18Å; M391-D393 PolarHBondContact O-N 3.24Å; M391-L456 CarbonylContact C-O 3.52Å; M391-L456 WeakPolarHBondContact CA-O 3.32Å
392	I	94.1	Very high	88.7	Confident	9 Å²	9	34.8 Å²	34.8	5%	0.046	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	116.2	175.8	-61.4	168.9	0	0	0	108.9	L311 H394 L395 I452 L456 L457 N458	L311-I392 HydrophobicContact CD2-CG1 3.82Å; I392-H394 WeakPolarHBondContact CG2-O 3.33Å; I392-L395 HydrophobicContact CD1-CD2 4.33Å; I392-L395 HydrophobicContact CG2-CD2 3.75Å; I392-L395 HydrophobicContact CG2-CG 3.85Å; I392-I452 HydrophobicContact CD1-CG2 4.13Å; I392-L456 PolarHBondContact N-O 2.85Å; I392-L457 HydrophobicContact CB-CD2 4.03Å; I392-L457 HydrophobicContact CG2-CD2 4.11Å; I392-L457 CarbonylContact O-C 3.58Å; I392-L457 WeakPolarHBondContact O-CA 3.41Å; I392-N458 PolarHBondContact O-N 3.01Å
393	D	92.9	Very high	90.3	Very high	16 Å²	16	28.7 Å²	28.7	9%	0.086	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-34	176.9	-170.1	65.7	0	0	0	112.5	T310 V312 K342 M391 N458 T461 F463	T310-D393 HydrophobicContact CG2-CB 4.26Å; T310-D393 PolarHBondContact O-N 3.33Å; V312-D393 HydrophobicContact CB-CB 4.05Å; V312-D393 HydrophobicContact CG1-CB 4.05Å; K342-D393 WeakPolarHBondContact CD-OD2 3.48Å; K342-D393 WeakPolarHBondContact CE-OD2 3.09Å; K342-D393 VanDerWaalsContact NZ-CG 3.31Å; K342-D393 IonicContact NZ-OD1 3.25Å; K342-D393 PolarHBondContact NZ-OD1 3.29Å; K342-D393 IonicContact NZ-OD2 2.82Å; K342-D393 PolarHBondContact NZ-OD2 2.8Å; M391-D393 PolarHBondContact O-N 3.24Å; D393-N458 HydrophobicContact CB-CB 4.43Å; D393-N458 PolarHBondContact OD1-ND2 3.34Å; D393-T461 PolarHBondContact O-OG1 2.76Å; D393-F463 VanDerWaalsContact O-CZ 3.25Å; D393-F463 WeakPolarHBondContact O-CZ 3.16Å
394	H	93.2	Very high	91.8	Very high	78 Å²	78	26.5 Å²	26.5	36%	0.361	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	140.1	176.8	-178.7	76	0	0	0	111.2	C308 G309 T310 I392	C308-H394 PolarHBondContact O-CD2 2.85Å; C308-H394 VanDerWaalsContact O-CD2 3.31Å; G309-H394 WeakPolarHBondContact CA-O 3.04Å; T310-H394 PolarHBondContact N-O 2.85Å; T310-H394 VanDerWaalsContact N-O 3.07Å; T310-H394 PolarHBondContact O-N 2.73Å; I392-H394 WeakPolarHBondContact CG2-O 3.33Å
395	L	94.6	Very high	92.8	Very high	16 Å²	16	26.2 Å²	26.2	8%	0.084	12%	0.118	C	C	.	.			trans	-111.1	122.4	-176.5	-86.7	176.8	0	0	0	109.9	I392 I452 L457 F463 R468 Y470	I392-L395 HydrophobicContact CD1-CD2 4.33Å; I392-L395 HydrophobicContact CG2-CD2 3.75Å; I392-L395 HydrophobicContact CG2-CG 3.85Å; L395-I452 HydrophobicContact CD1-CB 4.43Å; L395-I452 HydrophobicContact CD1-CG1 4.31Å; L395-I452 HydrophobicContact CD2-CG1 4.01Å; L395-I452 HydrophobicContact CD2-CG2 4.48Å; L395-L457 HydrophobicContact CD1-CD2 3.93Å; L395-L457 HydrophobicContact CG-CD2 4.24Å; L395-F463 HydrophobicContact CB-CE1 4.23Å; L395-F463 HydrophobicContact CD1-CD1 4.03Å; L395-F463 HydrophobicContact CD1-CE1 4.02Å; L395-F463 HydrophobicContact CG-CE1 4.08Å; L395-R468 HydrophobicContact CD1-CG 4.34Å; L395-Y470 WeakPolarHBondContact CB-OH 3Å; L395-Y470 HydrophobicContact CD1-CE2 4.36Å; L395-Y470 HydrophobicContact CD2-CE2 4.24Å
396	P	95.1	Very high	93.6	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.013	11%	0.111	C	C	.	.			trans	-77.8	153.7	-179	30.3	-33.3	0	0	0	112.2	Y398 L399 Y470	P396-Y398 WeakPolarHBondContact CG-O 3.47Å; P396-Y398 PolarHBondContact O-N 2.82Å; P396-L399 HydrophobicContact CG-CB 4.27Å; P396-L399 HydrophobicContact CG-CD1 4.04Å; P396-Y470 VanDerWaalsContact O-CE1 3.29Å; P396-Y470 WeakPolarHBondContact O-CE1 3.41Å; P396-Y470 PolarHBondContact O-OH 3.21Å
397	P	94.8	Very high	93.9	Very high	18 Å²	18	26.8 Å²	26.8	12%	0.117	12%	0.117	C	C	.	.	S	Bend	trans	-55.5	-37.7	170.5	-26.8	34.8	0	0	0	113.3	S305 L306 S589 I593	S305-P397 VanDerWaalsContact O-CD 3.3Å; S305-P397 WeakPolarHBondContact O-CD 3.36Å; S305-P397 WeakPolarHBondContact O-CG 3.38Å; L306-P397 WeakPolarHBondContact O-CD 3.19Å; P397-S589 WeakPolarHBondContact O-CB 3.41Å; P397-S589 PolarHBondContact O-N 3.3Å; P397-I593 HydrophobicContact CB-CG1 4.1Å
398	Y	96.8	Very high	94	Very high	5 Å²	5	22.5 Å²	22.5	2%	0.02	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	111.2	171.5	-66.8	-83.7	0	0	0	110.5	I103 T105 L306 F307 P396 L586 Y587 E588 I593	I103-Y398 HydrophobicContact CD1-CD1 4.49Å; I103-Y398 HydrophobicContact CG1-CE1 4.44Å; I103-Y398 HydrophobicContact CG2-CD1 4.26Å; I103-Y398 HydrophobicContact CG2-CD2 4.23Å; I103-Y398 HydrophobicContact CG2-CE1 3.73Å; I103-Y398 HydrophobicContact CG2-CE2 3.72Å; I103-Y398 HydrophobicContact CG2-CG 4.47Å; I103-Y398 VanDerWaalsContact CG2-CZ 3.43Å; T105-Y398 WeakPolarHBondContact OG1-CE2 3.29Å; T105-Y398 PolarHBondContact OG1-OH 3.08Å; L306-Y398 HydrophobicContact CB-CD2 4.45Å; L306-Y398 HydrophobicContact CD2-CD2 4.28Å; L306-Y398 HydrophobicContact CD2-CE2 4.13Å; L306-Y398 PolarHBondContact O-N 3.2Å; F307-Y398 HydrophobicContact CD1-CG 4.5Å; F307-Y398 HydrophobicContact CE1-CD2 4.4Å; F307-Y398 HydrophobicContact CE1-CG 4.03Å; P396-Y398 WeakPolarHBondContact CG-O 3.47Å; P396-Y398 PolarHBondContact O-N 2.82Å; Y398-L586 HydrophobicContact CD1-CD1 4.13Å; Y398-Y587 CarbonylContact C-O 3.58Å; Y398-Y587 WeakPolarHBondContact CA-O 3.45Å; Y398-E588 HydrophobicContact CD1-CB 4.15Å; Y398-E588 HydrophobicContact CD1-CG 4.33Å; Y398-E588 HydrophobicContact CE1-CB 3.93Å; Y398-E588 HydrophobicContact CE1-CG 3.73Å; Y398-I593 HydrophobicContact CE2-CD1 4.27Å
399	L	97.6	Very high	93.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	115.3	178.5	-179.9	62.9	0	0	0	110.2	F345 L348 P396 I401 I452 Y470 Y587	F345-L399 HydrophobicContact CE2-CD1 3.92Å; F345-L399 HydrophobicContact CZ-CD1 4.42Å; L348-L399 HydrophobicContact CD1-CD1 3.94Å; L348-L399 HydrophobicContact CG-CD1 4.36Å; P396-L399 HydrophobicContact CG-CB 4.27Å; P396-L399 HydrophobicContact CG-CD1 4.04Å; L399-I401 HydrophobicContact CD2-CD1 4.02Å; L399-I401 HydrophobicContact CD2-CG1 4.33Å; L399-I401 HydrophobicContact CG-CD1 4.25Å; L399-I401 HydrophobicContact CG-CG1 4.02Å; L399-I452 HydrophobicContact CD2-CD1 3.94Å; L399-Y470 HydrophobicContact CB-CD1 4.1Å; L399-Y470 HydrophobicContact CB-CE1 3.74Å; L399-Y587 PolarHBondContact N-O 3.15Å; L399-Y587 PolarHBondContact O-N 3.35Å
400	I	98.6	Very high	93	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	127.9	175.7	-50.8	175	0	0	0	109.5	L241 L245 F307 M347 L348 I584 L585 L586	L241-I400 HydrophobicContact CD2-CD1 4.35Å; L241-I400 HydrophobicContact CD2-CG2 4.18Å; L245-I400 HydrophobicContact CD1-CD1 3.54Å; F307-I400 HydrophobicContact CD1-CD1 3.77Å; F307-I400 HydrophobicContact CD1-CG1 4.24Å; F307-I400 HydrophobicContact CE1-CD1 4.14Å; M347-I400 WeakPolarHBondContact CA-O 3.49Å; M347-I400 HydrophobicContact CB-CB 4.48Å; M347-I400 HydrophobicContact CB-CG2 4.45Å; M347-I400 HydrophobicContact CE-CG2 3.89Å; M347-I400 HydrophobicContact CG-CB 4.38Å; M347-I400 HydrophobicContact CG-CG2 3.95Å; M347-I400 HydrophobicContact SD-CG2 4.49Å; L348-I400 PolarHBondContact N-O 3.31Å; I400-I584 HydrophobicContact CG2-CG2 3.48Å; I400-I584 VanDerWaalsContact CG2-CG2 3.48Å; I400-L585 WeakPolarHBondContact CA-O 3.27Å; I400-L586 HydrophobicContact CG1-CD1 3.83Å
401	I	98.5	Very high	92	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	118.5	-179.3	-56.4	176.7	0	0	0	109.1	L348 V350 V360 L364 L399 L403 L450 I584 L585 Y587	L348-I401 CarbonylContact O-C 3.49Å; L348-I401 WeakPolarHBondContact O-CA 3.48Å; V350-I401 HydrophobicContact CB-CG2 4.33Å; V350-I401 HydrophobicContact CG1-CG2 3.85Å; V350-I401 HydrophobicContact CG2-CG2 3.52Å; V360-I401 HydrophobicContact CG1-CD1 3.83Å; L364-I401 HydrophobicContact CD1-CD1 4.4Å; L364-I401 HydrophobicContact CD2-CD1 4.48Å; L399-I401 HydrophobicContact CD2-CD1 4.02Å; L399-I401 HydrophobicContact CD2-CG1 4.33Å; L399-I401 HydrophobicContact CG-CD1 4.25Å; L399-I401 HydrophobicContact CG-CG1 4.02Å; I401-L403 HydrophobicContact CG2-CD2 4.49Å; I401-L450 HydrophobicContact CD1-CD2 4.11Å; I401-I584 CarbonylContact O-C 3.57Å; I401-I584 WeakPolarHBondContact O-CA 3.05Å; I401-L585 HydrophobicContact CB-CB 4.36Å; I401-L585 PolarHBondContact N-O 3.3Å; I401-L585 PolarHBondContact O-N 3.16Å; I401-Y587 HydrophobicContact CD1-CD2 4.08Å; I401-Y587 HydrophobicContact CD1-CE2 4.17Å
402	Q	98.2	Very high	90.8	Very high	17 Å²	17	24.3 Å²	24.3	8%	0.079	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	126.8	168	-176.9	-152.3	27.5	0	0	109.7	A238 M347 L348 H349 V350 K404 Y583 I584	A238-Q402 HydrophobicContact CB-CG 3.93Å; M347-Q402 HydrophobicContact CG-CB 4.13Å; M347-Q402 HydrophobicContact SD-CB 3.6Å; M347-Q402 VanDerWaalsContact SD-CB 3.6Å; M347-Q402 HydrophobicContact SD-CG 4.44Å; L348-Q402 PolarHBondContact O-N 2.92Å; H349-Q402 PolarHBondContact ND1-OE1 2.96Å; V350-Q402 WeakPolarHBondContact CG2-O 3.44Å; V350-Q402 PolarHBondContact N-O 3.19Å; Q402-K404 PolarHBondContact O-N 3.33Å; Q402-Y583 HydrophobicContact CG-CE2 4Å; Q402-Y583 PolarHBondContact NE2-OH 3.3Å; Q402-I584 HydrophobicContact CG-CG1 4.41Å
403	L	97.8	Very high	89.4	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	115	166.5	-56.1	-176.3	0	0	0	108.4	V350 I352 I401 R405 V444 P582 Y583 L585	V350-L403 HydrophobicContact CG2-CD2 3.48Å; V350-L403 VanDerWaalsContact CG2-CD2 3.48Å; I352-L403 HydrophobicContact CG2-CB 4.39Å; I352-L403 HydrophobicContact CG2-CD2 4.25Å; I401-L403 HydrophobicContact CG2-CD2 4.49Å; L403-R405 VanDerWaalsContact C-N 3.25Å; L403-R405 HydrophobicContact CB-CG 4.34Å; L403-R405 PolarHBondContact O-N 2.97Å; L403-V444 HydrophobicContact CD1-CB 4.17Å; L403-V444 HydrophobicContact CD1-CG1 4.21Å; L403-V444 HydrophobicContact CD1-CG2 4.44Å; L403-V444 HydrophobicContact CD2-CG1 4.41Å; L403-P582 HydrophobicContact CD1-CB 4.5Å; L403-Y583 PolarHBondContact N-O 2.98Å; L403-L585 HydrophobicContact CD2-CD1 4.35Å; L403-L585 HydrophobicContact CG-CD1 4.48Å
404	K	95.1	Very high	87.7	Confident	54 Å²	54	31.4 Å²	31.4	24%	0.235	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	80	-179.4	-65.1	-177.6	76.2	174.9	0	111.3	S11 H349 V350 I352 Q402	S11-K404 PolarHBondContact O-NZ 3.17Å; H349-K404 HydrophobicContact CB-CD 4.06Å; H349-K404 HydrophobicContact CB-CG 4.24Å; V350-K404 PolarHBondContact O-N 3.04Å; I352-K404 WeakPolarHBondContact CG1-O 3.46Å; Q402-K404 PolarHBondContact O-N 3.33Å
405	R	94.4	Very high	85.9	Confident	1 Å²	1	33.4 Å²	33.4	0%	0.004	17%	0.17	C	C	.	.			trans	-80.6	-32.2	-177.5	-67.6	-163.6	177.2	-86.2	-1.8	113	I352 L403 K439 H440 K442 T581 P582 Y583	I352-R405 HydrophobicContact CD1-CG 3.84Å; L403-R405 VanDerWaalsContact C-N 3.25Å; L403-R405 HydrophobicContact CB-CG 4.34Å; L403-R405 PolarHBondContact O-N 2.97Å; R405-K439 HydrophobicContact CB-CG 4.11Å; R405-K439 CarbonylContact O-C 3.55Å; R405-K439 WeakPolarHBondContact O-CA 3.37Å; R405-H440 PolarHBondContact NH1-O 3.47Å; R405-H440 PolarHBondContact O-CD2 2.63Å; R405-H440 PolarHBondContact O-N 3.16Å; R405-K442 PolarHBondContact NH1-O 3.4Å; R405-T581 VanDerWaalsContact CD-OG1 3.27Å; R405-T581 WeakPolarHBondContact CD-OG1 3.48Å; R405-T581 PolarHBondContact NE-OG1 3.29Å; R405-P582 PolarHBondContact NE-O 2.88Å; R405-P582 PolarHBondContact NH2-O 3.26Å; R405-Y583 HydrophobicContact CG-CD2 4.4Å
406	F	92.5	Very high	84	Confident	19 Å²	19	38.4 Å²	38.4	8%	0.083	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	133.5	-175.5	-56.8	-76.1	0	0	0	110.4	F4 A8 I437 R438 K439 H478 V483 Y583	F4-F406 HydrophobicContact CE1-CE2 4.4Å; F4-F406 HydrophobicContact CE1-CZ 4.31Å; F4-F406 HydrophobicContact CE2-CD2 4.01Å; F4-F406 HydrophobicContact CE2-CE2 4.29Å; F4-F406 HydrophobicContact CE2-CG 4.47Å; F4-F406 HydrophobicContact CZ-CD1 4.42Å; F4-F406 AromaticContact CZ-CD2 3.6Å; F4-F406 HydrophobicContact CZ-CD2 3.6Å; F4-F406 HydrophobicContact CZ-CE1 4.28Å; F4-F406 AromaticContact CZ-CE2 3.48Å; F4-F406 HydrophobicContact CZ-CE2 3.48Å; F4-F406 VanDerWaalsContact CZ-CE2 3.48Å; F4-F406 HydrophobicContact CZ-CG 4.07Å; F4-F406 AromaticContact CZ-CZ 3.82Å; F4-F406 HydrophobicContact CZ-CZ 3.82Å; A8-F406 HydrophobicContact CB-CB 3.79Å; F406-I437 HydrophobicContact CB-CG2 4.06Å; F406-R438 CarbonylContact C-O 3.49Å; F406-R438 VanDerWaalsContact CA-O 3.28Å; F406-R438 WeakPolarHBondContact CA-O 3.49Å; F406-K439 HydrophobicContact CD1-CB 3.93Å; F406-K439 HydrophobicContact CD1-CG 4Å; F406-K439 HydrophobicContact CE1-CB 3.84Å; F406-K439 HydrophobicContact CE1-CD 3.84Å; F406-K439 HydrophobicContact CE1-CG 3.65Å; F406-K439 HydrophobicContact CZ-CD 4.19Å; F406-K439 HydrophobicContact CZ-CG 4.2Å; F406-H478 HydrophobicContact CZ-CB 4.48Å; F406-H478 AromaticContact CZ-CD2 3.67Å; F406-H478 AromaticContact CZ-CE1 3.88Å; F406-H478 AromaticContact CZ-CG 3.82Å; F406-H478 AromaticContact CZ-ND1 3.97Å; F406-H478 AromaticContact CZ-NE2 3.7Å; F406-V483 HydrophobicContact CB-CG1 4.13Å; F406-V483 HydrophobicContact CD1-CG1 3.23Å; F406-V483 HydrophobicContact CD2-CG1 4.45Å; F406-V483 HydrophobicContact CE1-CG1 3.61Å; F406-V483 HydrophobicContact CG-CG1 3.68Å; F406-V483 HydrophobicContact CZ-CG1 4.38Å; F406-Y583 AromaticContact CD2-CE2 3.87Å; F406-Y583 HydrophobicContact CD2-CE2 3.87Å; F406-Y583 HydrophobicContact CE2-CD2 4.22Å; F406-Y583 AromaticContact CE2-CE2 3.7Å; F406-Y583 HydrophobicContact CE2-CE2 3.7Å; F406-Y583 AromaticContact CE2-CZ 3.91Å
407	Y	89.1	Confident	82	Confident	48 Å²	48	43.6 Å²	43.6	19%	0.188	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	151.1	-177.1	70.7	-85	0	0	0	111.1	E409 M412 I437 R438 H440	Y407-E409 HydrophobicContact CE2-CB 4.45Å; Y407-E409 PolarHBondContact O-N 3.02Å; Y407-M412 HydrophobicContact CD2-CG 4.03Å; Y407-M412 HydrophobicContact CD2-SD 3.46Å; Y407-M412 WeakPolarHBondContact CD2-SD 3.27Å; Y407-M412 HydrophobicContact CE2-CG 4.35Å; Y407-M412 HydrophobicContact CE2-SD 3.44Å; Y407-M412 WeakPolarHBondContact CE2-SD 3.45Å; Y407-M412 HydrophobicContact CG-SD 4.35Å; Y407-I437 WeakPolarHBondContact O-CA 3.25Å; Y407-R438 HydrophobicContact CD1-CB 4.13Å; Y407-R438 VanDerWaalsContact CD1-O 3.28Å; Y407-R438 WeakPolarHBondContact CD1-O 3.17Å; Y407-R438 HydrophobicContact CE1-CB 3.49Å; Y407-R438 VanDerWaalsContact CE1-CB 3.49Å; Y407-R438 HydrophobicContact CE2-CB 3.97Å; Y407-R438 VanDerWaalsContact CZ-CB 3.41Å; Y407-R438 PolarHBondContact N-O 2.95Å; Y407-R438 PolarHBondContact O-N 3.21Å; Y407-H440 AromaticContact CD1-CD2 3.46Å; Y407-H440 VanDerWaalsContact CD1-CD2 3.46Å; Y407-H440 WeakPolarHBondContact CD1-CD2 3.49Å; Y407-H440 AromaticContact CD1-CE1 3.55Å; Y407-H440 AromaticContact CD1-CG 3.88Å; Y407-H440 AromaticContact CD1-ND1 3.93Å; Y407-H440 AromaticContact CD1-NE2 3.25Å; Y407-H440 WeakPolarHBondContact CD1-NE2 3.44Å; Y407-H440 AromaticContact CE1-CE1 3.56Å; Y407-H440 AromaticContact CE1-CG 3.96Å; Y407-H440 AromaticContact CE1-ND1 3.68Å; Y407-H440 AromaticContact CE1-NE2 3.77Å; Y407-H440 AromaticContact CG-NE2 3.66Å
408	N	86.2	Confident	79.9	Confident	10 Å²	10	48.4 Å²	48.4	5%	0.053	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	113	174.6	-167.6	-15.7	0	0	0	110.6	G9 S410 K411 M412 I436 I437	G9-N408 PolarHBondContact O-ND2 3.49Å; N408-S410 VanDerWaalsContact C-N 3.29Å; N408-S410 PolarHBondContact O-N 3.35Å; N408-S410 PolarHBondContact OD1-N 3.07Å; N408-S410 VanDerWaalsContact OD1-N 3.15Å; N408-S410 PolarHBondContact OD1-OG 3Å; N408-K411 HydrophobicContact CB-CB 4.17Å; N408-K411 HydrophobicContact CB-CD 4.03Å; N408-K411 HydrophobicContact CB-CG 4.09Å; N408-K411 PolarHBondContact O-N 2.86Å; N408-M412 PolarHBondContact O-N 2.75Å; N408-I436 PolarHBondContact OD1-O 2.75Å; N408-I437 HydrophobicContact CB-CD1 4.1Å
409	E	82.6	Confident	77.6	Confident	14 Å²	14	55 Å²	55	7%	0.065	28%	0.28	C	S	.	.	H	α-helix	trans	-63.3	-36.1	-179.7	-171.7	-171.4	-173.6	0	0	112	Y407 K411 M412 K413 I436 R438	Y407-E409 HydrophobicContact CE2-CB 4.45Å; Y407-E409 PolarHBondContact O-N 3.02Å; E409-K411 VanDerWaalsContact C-N 3.31Å; E409-K411 PolarHBondContact O-N 2.96Å; E409-M412 PolarHBondContact O-N 2.86Å; E409-K413 HydrophobicContact CG-CD 4.44Å; E409-K413 PolarHBondContact O-N 2.84Å; E409-K413 VanDerWaalsContact O-N 3.07Å; E409-K413 WeakPolarHBondContact OE1-CE 3.26Å; E409-K413 IonicContact OE1-NZ 2.9Å; E409-K413 PolarHBondContact OE1-NZ 3.29Å; E409-K413 IonicContact OE2-NZ 2.66Å; E409-I436 HydrophobicContact CB-CB 4.37Å; E409-I436 HydrophobicContact CB-CG2 4.39Å; E409-I436 PolarHBondContact N-O 3.09Å; E409-R438 HydrophobicContact CB-CG 4.36Å; E409-R438 VanDerWaalsContact CD-NE 3.31Å; E409-R438 IonicContact OE1-CZ 2.76Å; E409-R438 IonicContact OE1-NE 3.11Å; E409-R438 IonicContact OE1-NH1 3.74Å; E409-R438 PolarHBondContact OE1-NH1 3.37Å; E409-R438 IonicContact OE1-NH2 3.34Å; E409-R438 PolarHBondContact OE1-NH2 3.43Å; E409-R438 IonicContact OE2-CZ 3.04Å; E409-R438 IonicContact OE2-NE 2.66Å; E409-R438 PolarHBondContact OE2-NE 2.99Å; E409-R438 IonicContact OE2-NH1 3.71Å; E409-R438 IonicContact OE2-NH2 3.95Å; E409-R438 PolarHBondContact OE2-NH2 3.16Å
410	S	77	Confident	75.2	Confident	51 Å²	51	60.2 Å²	60.2	36%	0.357	31%	0.312	S	S	.	.	H	α-helix	trans	-66.2	-36.2	-177.6	66.6	0	0	0	0	111.7	N408 S414	N408-S410 VanDerWaalsContact C-N 3.29Å; N408-S410 PolarHBondContact O-N 3.35Å; N408-S410 PolarHBondContact OD1-N 3.07Å; N408-S410 VanDerWaalsContact OD1-N 3.15Å; N408-S410 PolarHBondContact OD1-OG 3Å; S410-S414 PolarHBondContact O-N 3.26Å; S410-S414 VanDerWaalsContact O-N 3.16Å
411	K	69.6	Low	72.6	Confident	81 Å²	81	64.3 Å²	64.3	35%	0.352	34%	0.341	S	S	.	.	H	α-helix	trans	-64.4	-43	172.9	-73	-177	170.2	176.2	0	112	G9 S11 N408 E409 K413 S414 L415	G9-K411 WeakPolarHBondContact O-CE 3.31Å; G9-K411 PolarHBondContact O-NZ 2.73Å; S11-K411 PolarHBondContact OG-NZ 3.49Å; N408-K411 HydrophobicContact CB-CB 4.17Å; N408-K411 HydrophobicContact CB-CD 4.03Å; N408-K411 HydrophobicContact CB-CG 4.09Å; N408-K411 PolarHBondContact O-N 2.86Å; E409-K411 VanDerWaalsContact C-N 3.31Å; E409-K411 PolarHBondContact O-N 2.96Å; K411-K413 PolarHBondContact O-N 3.37Å; K411-S414 PolarHBondContact O-N 2.86Å; K411-L415 PolarHBondContact O-N 2.89Å
412	M	67.9	Low	70.2	Confident	71 Å²	71	70.8 Å²	70.8	35%	0.35	38%	0.38	S	S	.	.	H	α-helix	trans	-63.6	-42.3	178.3	-79.5	-164.2	82.1	0	0	112.9	Y407 N408 E409 S414 L415 Q416	Y407-M412 HydrophobicContact CD2-CG 4.03Å; Y407-M412 HydrophobicContact CD2-SD 3.46Å; Y407-M412 WeakPolarHBondContact CD2-SD 3.27Å; Y407-M412 HydrophobicContact CE2-CG 4.35Å; Y407-M412 HydrophobicContact CE2-SD 3.44Å; Y407-M412 WeakPolarHBondContact CE2-SD 3.45Å; Y407-M412 HydrophobicContact CG-SD 4.35Å; N408-M412 PolarHBondContact O-N 2.75Å; E409-M412 PolarHBondContact O-N 2.86Å; M412-S414 VanDerWaalsContact C-N 3.33Å; M412-S414 PolarHBondContact O-N 2.9Å; M412-L415 PolarHBondContact O-N 2.69Å; M412-Q416 PolarHBondContact O-N 3.24Å
413	K	65.4	Low	67.6	Low	105 Å²	105	76.9 Å²	76.9	46%	0.457	41%	0.413	S	S	.	.	H	α-helix	trans	-66.6	-36.1	178.5	-72.3	-179.8	-178.7	166.3	0	112.3	E409 K411 Q416 N417	E409-K413 HydrophobicContact CG-CD 4.44Å; E409-K413 PolarHBondContact O-N 2.84Å; E409-K413 VanDerWaalsContact O-N 3.07Å; E409-K413 WeakPolarHBondContact OE1-CE 3.26Å; E409-K413 IonicContact OE1-NZ 2.9Å; E409-K413 PolarHBondContact OE1-NZ 3.29Å; E409-K413 IonicContact OE2-NZ 2.66Å; K411-K413 PolarHBondContact O-N 3.37Å; K413-Q416 PolarHBondContact O-N 3.3Å; K413-N417 PolarHBondContact O-N 3.41Å
414	S	57.7	Low	65	Low	69 Å²	69	86.3 Å²	86.3	48%	0.483	45%	0.454	S	S	.	.	H	α-helix	trans	-61.1	-44.7	175.8	-178.5	0	0	0	0	111.6	S410 K411 M412 Q416 N417 I418	S410-S414 PolarHBondContact O-N 3.26Å; S410-S414 VanDerWaalsContact O-N 3.16Å; K411-S414 PolarHBondContact O-N 2.86Å; M412-S414 VanDerWaalsContact C-N 3.33Å; M412-S414 PolarHBondContact O-N 2.9Å; S414-Q416 PolarHBondContact O-N 3.03Å; S414-N417 PolarHBondContact O-N 3.04Å; S414-I418 WeakPolarHBondContact O-CG1 3.19Å; S414-I418 PolarHBondContact O-N 2.66Å
415	L	55.6	Low	62.3	Low	120 Å²	120	90.1 Å²	90.1	63%	0.628	48%	0.481	S	S	*	.	H	α-helix	trans	-62.8	-36.9	176.3	-77.8	156	0	0	0	113.2	K411 M412	K411-L415 PolarHBondContact O-N 2.89Å; M412-L415 PolarHBondContact O-N 2.69Å
416	Q	54.5	Low	59.7	Low	121 Å²	121	97.3 Å²	97.3	57%	0.565	52%	0.52	S	S	*	.	H	α-helix	trans	-71.6	-36.3	177.3	-72	179.6	-7.5	0	0	112.9	M412 K413 S414 I418 N419 T420	M412-Q416 PolarHBondContact O-N 3.24Å; K413-Q416 PolarHBondContact O-N 3.3Å; S414-Q416 PolarHBondContact O-N 3.03Å; Q416-I418 PolarHBondContact O-N 3.34Å; Q416-N419 PolarHBondContact O-N 3.1Å; Q416-T420 PolarHBondContact O-OG1 3.29Å
417	N	51.5	Low	57.2	Low	110 Å²	110	101.5 Å²	101.5	59%	0.588	55%	0.552	S	S	*	*	H	α-helix	trans	-69.8	-30.2	-179.2	-77	-11.8	0	0	0	113.2	K413 S414 N419 T420 S421	K413-N417 PolarHBondContact O-N 3.41Å; S414-N417 PolarHBondContact O-N 3.04Å; N417-N419 PolarHBondContact O-N 2.76Å; N417-T420 PolarHBondContact O-N 2.66Å; N417-T420 VanDerWaalsContact O-N 3.12Å; N417-S421 PolarHBondContact O-N 2.75Å
418	I	51.9	Low	55.1	Low	119 Å²	119	107.3 Å²	107.3	61%	0.61	58%	0.584	S	S	*	*	H	α-helix	trans	-60.7	-36	177	-66.9	165.7	0	0	0	111.1	S414 Q416 T420	S414-I418 WeakPolarHBondContact O-CG1 3.19Å; S414-I418 PolarHBondContact O-N 2.66Å; Q416-I418 PolarHBondContact O-N 3.34Å; I418-T420 PolarHBondContact O-N 2.9Å
419	N	47.4	Very low	53.2	Low	144 Å²	144	111.4 Å²	111.4	77%	0.77	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-5.8	-179.5	-65.5	-18.4	0	0	0	113.8	Q416 N417	Q416-N419 PolarHBondContact O-N 3.1Å; N417-N419 PolarHBondContact O-N 2.76Å
420	T	49	Very low	51.7	Low	110 Å²	110	116.4 Å²	116.4	68%	0.675	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.7	5.1	-169.8	-15	0	0	0	0	114.8	Q416 N417 I418	Q416-T420 PolarHBondContact O-OG1 3.29Å; N417-T420 PolarHBondContact O-N 2.66Å; N417-T420 VanDerWaalsContact O-N 3.12Å; I418-T420 PolarHBondContact O-N 2.9Å
421	S	43.6	Very low	50.5	Low	87 Å²	87	120.5 Å²	120.5	61%	0.608	66%	0.66	S	S	*	*			trans	-145.8	92.2	-179.4	-84	0	0	0	0	113.2	N417 N423	N417-S421 PolarHBondContact O-N 2.75Å; S421-N423 VanDerWaalsContact C-N 3.27Å
422	V	48	Very low	49.9	Very low	136 Å²	136	123.5 Å²	123.5	82%	0.824	69%	0.685	S	S	*	*	S	Bend	trans	-78	-11	165	179.2	0	0	0	0	111.8
423	N	43	Very low	49.6	Very low	145 Å²	145	127.5 Å²	127.5	78%	0.775	70%	0.701	S	S	*	*	S	Bend	trans	-132.1	72.1	-172.4	-70.8	-24.9	0	0	0	113.6	S421	S421-N423 VanDerWaalsContact C-N 3.27Å
424	K	42.9	Very low	49.8	Very low	198 Å²	198	127 Å²	127	86%	0.861	71%	0.708	S	S	*	*			trans	-167	71.5	151.1	-121.9	174.2	-178.7	176.6	0	111.5	N426	K424-N426 PolarHBondContact O-N 2.94Å
425	V	39.6	Very low	50.6	Low	133 Å²	133	126.3 Å²	126.3	81%	0.806	70%	0.701	S	S	*	*			trans	-76.2	109.3	156.1	-177.9	0	0	0	0	105.2
426	N	39.6	Very low	51.9	Low	153 Å²	153	124.4 Å²	124.4	82%	0.818	69%	0.69	S	S	*	*			trans	166.6	128.4	144.5	-78.4	-17.5	0	0	0	111.1	K424	K424-N426 PolarHBondContact O-N 2.94Å
427	S	39.1	Very low	53.5	Low	107 Å²	107	119.5 Å²	119.5	75%	0.748	67%	0.668	S	S	*	*			trans	88	79.8	176.6	-154.7	0	0	0	0	116.6
428	I	46.4	Very low	55.3	Low	170 Å²	170	119.7 Å²	119.7	87%	0.872	66%	0.66	S	S	*	*			trans	-100.1	88.1	154.1	-61.2	172.3	0	0	0	106.4
429	T	45.3	Very low	57.2	Low	95 Å²	95	114.8 Å²	114.8	58%	0.583	64%	0.635	S	S	*	*			trans	-71	130.9	153.1	43.9	0	0	0	0	107.6	Q431	T429-Q431 PolarHBondContact O-N 2.91Å
430	S	51.3	Low	59.4	Low	120 Å²	120	109.3 Å²	109.3	84%	0.839	60%	0.604	S	S	*	*			trans	-64.4	56.9	179	-30.4	0	0	0	0	112.7	T432	S430-T432 PolarHBondContact O-N 3.48Å
431	Q	52.2	Low	61.4	Low	137 Å²	137	107.8 Å²	107.8	64%	0.64	59%	0.592	S	S	*	*			trans	-78.6	107.8	169.2	-79.3	-176.2	-8.3	0	0	107.8	T429 F433	T429-Q431 PolarHBondContact O-N 2.91Å; Q431-F433 VanDerWaalsContact C-N 3.34Å; Q431-F433 WeakPolarHBondContact O-CD2 3.48Å; Q431-F433 PolarHBondContact O-N 3.14Å
432	T	56.5	Low	63.8	Low	143 Å²	143	106.2 Å²	106.2	88%	0.877	57%	0.574	S	S	*	*			trans	-62.9	93.6	172.3	-15.1	0	0	0	0	108.2	S430	S430-T432 PolarHBondContact O-N 3.48Å
433	F	60.7	Low	66	Low	156 Å²	156	102.9 Å²	102.9	68%	0.684	56%	0.556	S	S	*	*			trans	-63	136.1	173.2	-71.1	-79	0	0	0	109.1	Q431 V435	Q431-F433 VanDerWaalsContact C-N 3.34Å; Q431-F433 WeakPolarHBondContact O-CD2 3.48Å; Q431-F433 PolarHBondContact O-N 3.14Å; F433-V435 PolarHBondContact O-N 3.03Å
434	P	70.5	Confident	68.6	Low	94 Å²	94	96 Å²	96	61%	0.61	52%	0.52	S	S	*	.			trans	-58.5	132.8	175.8	24.1	-32.2	0	0	0	109.3	I436	P434-I436 PolarHBondContact O-N 3Å; P434-I436 VanDerWaalsContact O-N 3.16Å
435	V	75.2	Confident	71.2	Confident	54 Å²	54	90.3 Å²	90.3	33%	0.327	50%	0.499	S	S	.	.			trans	-66.3	113	174.7	171.8	0	0	0	0	108.2	M1 F433 I437	M1-V435 HydrophobicContact CE-CB 3.81Å; M1-V435 WeakPolarHBondContact CE-O 3.01Å; M1-V435 HydrophobicContact SD-CB 4.47Å; F433-V435 PolarHBondContact O-N 3.03Å; V435-I437 HydrophobicContact CG1-CD1 3.47Å; V435-I437 VanDerWaalsContact CG1-CD1 3.47Å; V435-I437 HydrophobicContact CG1-CG1 4.14Å
436	I	82.8	Confident	73.9	Confident	81 Å²	81	84.3 Å²	84.3	42%	0.415	46%	0.462	S	S	.	.			trans	-100.8	111.5	178.1	-59	174.3	0	0	0	108.2	N408 E409 P434 R438	N408-I436 PolarHBondContact OD1-O 2.75Å; E409-I436 HydrophobicContact CB-CB 4.37Å; E409-I436 HydrophobicContact CB-CG2 4.39Å; E409-I436 PolarHBondContact N-O 3.09Å; P434-I436 PolarHBondContact O-N 3Å; P434-I436 VanDerWaalsContact O-N 3.16Å; I436-R438 HydrophobicContact CG2-CG 4.38Å
437	I	86.1	Confident	76.5	Confident	18 Å²	18	79.6 Å²	79.6	9%	0.092	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	131.5	175.2	-53	-52	0	0	0	110	S5 A8 F406 Y407 N408 V435 V483	S5-I437 WeakPolarHBondContact O-CG1 3.47Å; A8-I437 HydrophobicContact CB-CB 4.41Å; A8-I437 HydrophobicContact CB-CD1 4.17Å; A8-I437 HydrophobicContact CB-CG1 4.08Å; A8-I437 HydrophobicContact CB-CG2 3.5Å; A8-I437 VanDerWaalsContact CB-CG2 3.5Å; F406-I437 HydrophobicContact CB-CG2 4.06Å; Y407-I437 WeakPolarHBondContact O-CA 3.25Å; N408-I437 HydrophobicContact CB-CD1 4.1Å; V435-I437 HydrophobicContact CG1-CD1 3.47Å; V435-I437 VanDerWaalsContact CG1-CD1 3.47Å; V435-I437 HydrophobicContact CG1-CG1 4.14Å; I437-V483 HydrophobicContact CB-CG1 4.33Å; I437-V483 HydrophobicContact CB-CG2 3.87Å; I437-V483 HydrophobicContact CG1-CG2 4.36Å; I437-V483 HydrophobicContact CG2-CB 4.45Å; I437-V483 HydrophobicContact CG2-CG1 3.53Å; I437-V483 HydrophobicContact CG2-CG2 4.01Å
438	R	89.4	Confident	79	Confident	114 Å²	114	76.8 Å²	76.8	43%	0.43	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	163.8	174.9	-70.6	-165.9	179.3	172.8	4.5	111.2	F406 Y407 E409 I436	F406-R438 CarbonylContact C-O 3.49Å; F406-R438 VanDerWaalsContact CA-O 3.28Å; F406-R438 WeakPolarHBondContact CA-O 3.49Å; Y407-R438 HydrophobicContact CD1-CB 4.13Å; Y407-R438 VanDerWaalsContact CD1-O 3.28Å; Y407-R438 WeakPolarHBondContact CD1-O 3.17Å; Y407-R438 HydrophobicContact CE1-CB 3.49Å; Y407-R438 VanDerWaalsContact CE1-CB 3.49Å; Y407-R438 HydrophobicContact CE2-CB 3.97Å; Y407-R438 VanDerWaalsContact CZ-CB 3.41Å; Y407-R438 PolarHBondContact N-O 2.95Å; Y407-R438 PolarHBondContact O-N 3.21Å; E409-R438 HydrophobicContact CB-CG 4.36Å; E409-R438 VanDerWaalsContact CD-NE 3.31Å; E409-R438 IonicContact OE1-CZ 2.76Å; E409-R438 IonicContact OE1-NE 3.11Å; E409-R438 IonicContact OE1-NH1 3.74Å; E409-R438 PolarHBondContact OE1-NH1 3.37Å; E409-R438 IonicContact OE1-NH2 3.34Å; E409-R438 PolarHBondContact OE1-NH2 3.43Å; E409-R438 IonicContact OE2-CZ 3.04Å; E409-R438 IonicContact OE2-NE 2.66Å; E409-R438 PolarHBondContact OE2-NE 2.99Å; E409-R438 IonicContact OE2-NH1 3.71Å; E409-R438 IonicContact OE2-NH2 3.95Å; E409-R438 PolarHBondContact OE2-NH2 3.16Å; I436-R438 HydrophobicContact CG2-CG 4.38Å
439	K	92.7	Very high	81.3	Confident	16 Å²	16	75 Å²	75	7%	0.07	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.3	179.3	-169.9	-172.5	-172.9	-159.8	0	111	R405 F406 L441 H478 G480 E481 T581	R405-K439 HydrophobicContact CB-CG 4.11Å; R405-K439 CarbonylContact O-C 3.55Å; R405-K439 WeakPolarHBondContact O-CA 3.37Å; F406-K439 HydrophobicContact CD1-CB 3.93Å; F406-K439 HydrophobicContact CD1-CG 4Å; F406-K439 HydrophobicContact CE1-CB 3.84Å; F406-K439 HydrophobicContact CE1-CD 3.84Å; F406-K439 HydrophobicContact CE1-CG 3.65Å; F406-K439 HydrophobicContact CZ-CD 4.19Å; F406-K439 HydrophobicContact CZ-CG 4.2Å; K439-L441 HydrophobicContact CD-CD2 4.04Å; K439-L441 HydrophobicContact CG-CD2 4.42Å; K439-L441 PolarHBondContact O-N 2.66Å; K439-L441 VanDerWaalsContact O-N 3.17Å; K439-H478 PolarHBondContact NZ-ND1 3.11Å; K439-H478 PolarHBondContact NZ-O 2.87Å; K439-G480 WeakPolarHBondContact CD-O 3.38Å; K439-G480 PolarHBondContact NZ-O 3.3Å; K439-E481 WeakPolarHBondContact CB-O 3.49Å; K439-T581 WeakPolarHBondContact CE-OG1 3.48Å; K439-T581 PolarHBondContact NZ-OG1 3.4Å
440	H	92.6	Very high	83.7	Confident	29 Å²	29	70.4 Å²	70.4	13%	0.134	37%	0.373	C	S	.	.			trans	-69.6	108.2	167.8	-70.6	-63.3	0	0	0	110.2	I352 R405 Y407 K442	I352-H440 HydrophobicContact CD1-CB 3.93Å; I352-H440 HydrophobicContact CG1-CB 4.43Å; R405-H440 PolarHBondContact NH1-O 3.47Å; R405-H440 PolarHBondContact O-CD2 2.63Å; R405-H440 PolarHBondContact O-N 3.16Å; Y407-H440 AromaticContact CD1-CD2 3.46Å; Y407-H440 VanDerWaalsContact CD1-CD2 3.46Å; Y407-H440 WeakPolarHBondContact CD1-CD2 3.49Å; Y407-H440 AromaticContact CD1-CE1 3.55Å; Y407-H440 AromaticContact CD1-CG 3.88Å; Y407-H440 AromaticContact CD1-ND1 3.93Å; Y407-H440 AromaticContact CD1-NE2 3.25Å; Y407-H440 WeakPolarHBondContact CD1-NE2 3.44Å; Y407-H440 AromaticContact CE1-CE1 3.56Å; Y407-H440 AromaticContact CE1-CG 3.96Å; Y407-H440 AromaticContact CE1-ND1 3.68Å; Y407-H440 AromaticContact CE1-NE2 3.77Å; Y407-H440 AromaticContact CG-NE2 3.66Å; H440-K442 PolarHBondContact O-N 2.96Å
441	L	92.6	Very high	85.8	Confident	78 Å²	78	67.3 Å²	67.3	41%	0.408	35%	0.349	S	S	.	.			trans	-84.9	21.8	168.6	-58.6	-177.6	0	0	0	112.4	K439 H532 P579 T581	K439-L441 HydrophobicContact CD-CD2 4.04Å; K439-L441 HydrophobicContact CG-CD2 4.42Å; K439-L441 PolarHBondContact O-N 2.66Å; K439-L441 VanDerWaalsContact O-N 3.17Å; L441-H532 PolarHBondContact O-CE1 3.07Å; L441-H532 PolarHBondContact O-ND1 2.72Å; L441-P579 HydrophobicContact CD1-CG 4.11Å; L441-P579 HydrophobicContact CD2-CB 4Å; L441-P579 HydrophobicContact CD2-CG 3.7Å; L441-T581 HydrophobicContact CD2-CG2 3.79Å
442	K	93.2	Very high	87.9	Confident	53 Å²	53	60.8 Å²	60.8	23%	0.23	32%	0.319	C	S	.	.			trans	-65.1	131	174.1	-170.8	-178.7	-168.9	178.1	0	110	I352 N354 P355 V357 R405 H440 H532	I352-K442 WeakPolarHBondContact O-CD 3.38Å; N354-K442 PolarHBondContact O-NZ 3.21Å; P355-K442 PolarHBondContact O-NZ 3.19Å; V357-K442 WeakPolarHBondContact O-CE 3.43Å; V357-K442 PolarHBondContact O-NZ 3.44Å; R405-K442 PolarHBondContact NH1-O 3.4Å; H440-K442 PolarHBondContact O-N 2.96Å; K442-H532 PolarHBondContact O-CE1 2.75Å
443	S	94.7	Very high	89.6	Confident	66 Å²	66	54.5 Å²	54.5	46%	0.462	28%	0.28	S	S	.	.			trans	-72.3	131	170	-169.8	0	0	0	0	109.2
444	V	96.8	Very high	91	Very high	2 Å²	2	54 Å²	54	1%	0.012	28%	0.278	C	S	.	.			trans	-124.1	119.2	178.5	178.5	0	0	0	0	106.3	I352 V360 L403 I446	I352-V444 HydrophobicContact CB-CG2 4.37Å; I352-V444 HydrophobicContact CD1-CG2 4.27Å; I352-V444 HydrophobicContact CG2-CG2 4.12Å; V360-V444 HydrophobicContact CG2-CG1 4.39Å; L403-V444 HydrophobicContact CD1-CB 4.17Å; L403-V444 HydrophobicContact CD1-CG1 4.21Å; L403-V444 HydrophobicContact CD1-CG2 4.44Å; L403-V444 HydrophobicContact CD2-CG1 4.41Å; V444-I446 PolarHBondContact O-N 2.8Å
445	N	96.9	Very high	91.9	Very high	78 Å²	78	53.7 Å²	53.7	42%	0.417	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-65.8	117.5	178.5	-177.8	15.5	0	0	0	110.3	N358 S359 V360	N358-N445 WeakPolarHBondContact O-CB 3.41Å; N358-N445 PolarHBondContact O-N 2.92Å; S359-N445 WeakPolarHBondContact CA-O 3.4Å; V360-N445 PolarHBondContact N-O 3.32Å; V360-N445 VanDerWaalsContact N-O 3.08Å
446	I	97.2	Very high	92.7	Very high	7 Å²	7	51.5 Å²	51.5	4%	0.036	25%	0.254	C	S	.	.			trans	-105.7	113.9	178.3	-64	161.6	0	0	0	107.8	V360 V444 L472 P582 L585	V360-I446 HydrophobicContact CG2-CB 4.49Å; V360-I446 HydrophobicContact CG2-CG1 3.98Å; V444-I446 PolarHBondContact O-N 2.8Å; I446-L472 HydrophobicContact CG2-CD1 4.16Å; I446-L472 HydrophobicContact CG2-CD2 3.73Å; I446-P582 HydrophobicContact CD1-CB 3.26Å; I446-P582 HydrophobicContact CD1-CG 3.38Å; I446-L585 HydrophobicContact CD1-CD1 4.39Å; I446-L585 HydrophobicContact CD1-CD2 3.7Å; I446-L585 HydrophobicContact CG1-CD1 4.06Å; I446-L585 HydrophobicContact CG1-CD2 4.23Å; I446-L585 HydrophobicContact CG2-CD1 4.29Å; I446-L585 HydrophobicContact CG2-CD2 4.3Å
447	Q	93.7	Very high	93.1	Very high	54 Å²	54	48 Å²	48	25%	0.252	24%	0.237	S	C	.	.			trans	-83.9	134.9	-178.1	-56	176	18.6	0	0	109.6	E361 K449 Y587	E361-Q447 PolarHBondContact OE2-NE2 2.77Å; Q447-K449 WeakPolarHBondContact CB-O 3.43Å; Q447-K449 PolarHBondContact O-N 2.81Å; Q447-K449 PolarHBondContact OE1-O 3.33Å; Q447-Y587 WeakPolarHBondContact O-CE1 3.33Å; Q447-Y587 PolarHBondContact O-OH 3.4Å; Q447-Y587 VanDerWaalsContact O-OH 3.1Å
448	S	92.9	Very high	93.2	Very high	47 Å²	47	47.3 Å²	47.3	33%	0.329	23%	0.233	S	C	.	.	S	Bend	trans	-64.3	-26.7	174.2	-74.1	0	0	0	0	112.9	L472	S448-L472 PolarHBondContact O-N 2.8Å
449	K	94.5	Very high	92.8	Very high	132 Å²	132	49.9 Å²	49.9	57%	0.574	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	124.2	169.9	-65.2	-177.7	-179.1	-178.9	0	107.6	Q447 Y470	Q447-K449 WeakPolarHBondContact CB-O 3.43Å; Q447-K449 PolarHBondContact O-N 2.81Å; Q447-K449 PolarHBondContact OE1-O 3.33Å; K449-Y470 CarbonylContact C-O 3.16Å; K449-Y470 VanDerWaalsContact CA-O 3.29Å; K449-Y470 WeakPolarHBondContact CA-O 3.2Å
450	L	95.7	Very high	92	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	128.2	177.8	175.6	66.1	0	0	0	108.3	V360 L364 I401 I452 Y470 Y587	V360-L450 HydrophobicContact CG1-CD1 4.39Å; V360-L450 HydrophobicContact CG1-CD2 4.22Å; L364-L450 HydrophobicContact CD1-CD2 4.33Å; I401-L450 HydrophobicContact CD1-CD2 4.11Å; L450-I452 HydrophobicContact CD2-CD1 3.91Å; L450-I452 HydrophobicContact CG-CD1 4.13Å; L450-Y470 PolarHBondContact N-O 3.18Å; L450-Y470 PolarHBondContact O-N 3.2Å; L450-Y587 HydrophobicContact CB-CD1 3.82Å; L450-Y587 HydrophobicContact CB-CE1 3.47Å; L450-Y587 VanDerWaalsContact CB-CE1 3.47Å; L450-Y587 HydrophobicContact CD2-CD1 4.26Å; L450-Y587 HydrophobicContact CD2-CD2 4.12Å; L450-Y587 HydrophobicContact CD2-CE1 4.15Å; L450-Y587 HydrophobicContact CD2-CE2 4Å; L450-Y587 HydrophobicContact CD2-CG 4.24Å; L450-Y587 HydrophobicContact CG-CE1 4.44Å
451	V	95.4	Very high	91.3	Very high	55 Å²	55	52.7 Å²	52.7	33%	0.333	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	117.4	171.1	-175.5	0	0	0	0	107.9	P453 R468 N469	V451-P453 WeakPolarHBondContact O-CD 3.28Å; V451-R468 WeakPolarHBondContact CA-O 3.35Å; V451-N469 WeakPolarHBondContact CG2-OD1 3.49Å
452	I	95.4	Very high	90.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.277	C	S	.	.			trans	-66.8	115.9	177	-54.4	-59.7	0	0	0	108.8	L364 I392 L395 L399 L450 L456 L457 R468 Y470	L364-I452 HydrophobicContact CD1-CD1 4.07Å; I392-I452 HydrophobicContact CD1-CG2 4.13Å; L395-I452 HydrophobicContact CD1-CB 4.43Å; L395-I452 HydrophobicContact CD1-CG1 4.31Å; L395-I452 HydrophobicContact CD2-CG1 4.01Å; L395-I452 HydrophobicContact CD2-CG2 4.48Å; L399-I452 HydrophobicContact CD2-CD1 3.94Å; L450-I452 HydrophobicContact CD2-CD1 3.91Å; L450-I452 HydrophobicContact CG-CD1 4.13Å; I452-L456 HydrophobicContact CG2-CB 4.48Å; I452-L457 HydrophobicContact CG2-CD2 3.78Å; I452-L457 HydrophobicContact CG2-CG 4.26Å; I452-R468 HydrophobicContact CB-CB 4.17Å; I452-R468 PolarHBondContact N-O 3.08Å; I452-R468 WeakPolarHBondContact O-CD 3.4Å; I452-R468 PolarHBondContact O-NH1 2.9Å; I452-Y470 HydrophobicContact CD1-CD2 4.49Å; I452-Y470 HydrophobicContact CG1-CD2 4Å; I452-Y470 HydrophobicContact CG1-CE2 3.9Å
453	P	91.7	Very high	90.2	Very high	10 Å²	10	54.4 Å²	54.4	7%	0.065	27%	0.273	C	S	.	.			trans	-60.9	145.3	-176.8	-20.7	31.6	0	0	0	112	E361 V451 E455 L456	E361-P453 HydrophobicContact CG-CG 3.71Å; V451-P453 WeakPolarHBondContact O-CD 3.28Å; P453-E455 HydrophobicContact CB-CG 4.1Å; P453-E455 WeakPolarHBondContact CB-OE1 3.28Å; P453-E455 WeakPolarHBondContact CB-OE2 3.3Å; P453-E455 PolarHBondContact O-N 3.23Å; P453-L456 HydrophobicContact CB-CG 4.19Å; P453-L456 HydrophobicContact CG-CD1 4.11Å; P453-L456 HydrophobicContact CG-CG 4.31Å; P453-L456 PolarHBondContact O-N 2.76Å; P453-L456 VanDerWaalsContact O-N 3.16Å
454	K	90.5	Very high	89.7	Confident	145 Å²	145	53.1 Å²	53.1	63%	0.63	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-58.9	-37	-175.1	-61.3	-90.2	-176.8	128.5	0	110.2	L456 L457 R468	K454-L456 PolarHBondContact O-N 3.38Å; K454-L457 WeakPolarHBondContact O-CB 3.49Å; K454-L457 PolarHBondContact O-N 2.71Å; K454-L457 VanDerWaalsContact O-N 3.16Å; K454-R468 VanDerWaalsContact CE-NH2 3.31Å; K454-R468 VanDerWaalsContact N-NH1 3.13Å
455	E	89.8	Confident	89.1	Confident	89 Å²	89	57.6 Å²	57.6	42%	0.416	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-68	-14.6	-175.6	64.3	-90.2	-155.3	0	0	114.3	R365 P453	R365-E455 IonicContact CZ-OE1 3.72Å; R365-E455 IonicContact NE-OE1 3.43Å; R365-E455 PolarHBondContact NE-OE1 3.27Å; R365-E455 IonicContact NH2-OE1 3.64Å; R365-E455 PolarHBondContact NH2-OE1 3.35Å; P453-E455 HydrophobicContact CB-CG 4.1Å; P453-E455 WeakPolarHBondContact CB-OE1 3.28Å; P453-E455 WeakPolarHBondContact CB-OE2 3.3Å; P453-E455 PolarHBondContact O-N 3.23Å
456	L	91.8	Very high	88.6	Confident	7 Å²	7	57 Å²	57	4%	0.037	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-90.6	-12.3	175.7	-55	-168.1	0	0	0	112.9	L364 R365 A368 M391 I392 I452 P453 K454	L364-L456 HydrophobicContact CB-CD1 3.57Å; R365-L456 HydrophobicContact CB-CD2 4.5Å; R365-L456 HydrophobicContact CG-CD2 4.05Å; A368-L456 HydrophobicContact CB-CD2 3.67Å; M391-L456 CarbonylContact C-O 3.52Å; M391-L456 WeakPolarHBondContact CA-O 3.32Å; I392-L456 PolarHBondContact N-O 2.85Å; I452-L456 HydrophobicContact CG2-CB 4.48Å; P453-L456 HydrophobicContact CB-CG 4.19Å; P453-L456 HydrophobicContact CG-CD1 4.11Å; P453-L456 HydrophobicContact CG-CG 4.31Å; P453-L456 PolarHBondContact O-N 2.76Å; P453-L456 VanDerWaalsContact O-N 3.16Å; K454-L456 PolarHBondContact O-N 3.38Å
457	L	92.1	Very high	88.2	Confident	8 Å²	8	60.4 Å²	60.4	4%	0.042	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-91.7	145.4	-175.3	-60	175	0	0	0	110.3	I392 L395 I452 K454 Q459 F463 R468	I392-L457 HydrophobicContact CB-CD2 4.03Å; I392-L457 HydrophobicContact CG2-CD2 4.11Å; I392-L457 CarbonylContact O-C 3.58Å; I392-L457 WeakPolarHBondContact O-CA 3.41Å; L395-L457 HydrophobicContact CD1-CD2 3.93Å; L395-L457 HydrophobicContact CG-CD2 4.24Å; I452-L457 HydrophobicContact CG2-CD2 3.78Å; I452-L457 HydrophobicContact CG2-CG 4.26Å; K454-L457 WeakPolarHBondContact O-CB 3.49Å; K454-L457 PolarHBondContact O-N 2.71Å; K454-L457 VanDerWaalsContact O-N 3.16Å; L457-Q459 PolarHBondContact O-N 3.14Å; L457-F463 HydrophobicContact CB-CD2 3.82Å; L457-F463 HydrophobicContact CB-CE2 3.74Å; L457-F463 HydrophobicContact CD1-CB 3.85Å; L457-F463 HydrophobicContact CD1-CD1 4.45Å; L457-F463 HydrophobicContact CD1-CD2 3.66Å; L457-F463 HydrophobicContact CD1-CE2 4.22Å; L457-F463 HydrophobicContact CD1-CG 3.75Å; L457-F463 HydrophobicContact CD2-CD2 4.22Å; L457-F463 HydrophobicContact CD2-CE1 4.35Å; L457-F463 HydrophobicContact CD2-CE2 3.97Å; L457-F463 HydrophobicContact CD2-CG 4.47Å; L457-F463 HydrophobicContact CD2-CZ 4.02Å; L457-F463 HydrophobicContact CG-CD2 4.11Å; L457-F463 HydrophobicContact CG-CE2 4.18Å; L457-R468 HydrophobicContact CD1-CG 3.82Å
458	N	86.7	Confident	88.2	Confident	4 Å²	4	58.7 Å²	58.7	2%	0.021	30%	0.297	C	S	.	.			trans	-58.8	129.4	168.9	-173.5	14.6	0	0	0	109	V312 I392 D393 E460 T461	V312-N458 HydrophobicContact CG1-CB 3.83Å; I392-N458 PolarHBondContact O-N 3.01Å; D393-N458 HydrophobicContact CB-CB 4.43Å; D393-N458 PolarHBondContact OD1-ND2 3.34Å; N458-E460 PolarHBondContact ND2-OE2 3.04Å; N458-E460 PolarHBondContact O-N 2.7Å; N458-E460 PolarHBondContact OD1-N 2.85Å; N458-T461 PolarHBondContact O-OG1 3.03Å
459	Q	81	Confident	88.4	Confident	167 Å²	167	57.8 Å²	57.8	78%	0.78	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-11.8	-176.6	-62.6	-177.4	1.1	0	0	112.8	L457	L457-Q459 PolarHBondContact O-N 3.14Å
460	E	76.5	Confident	88.4	Confident	56 Å²	56	51.7 Å²	51.7	26%	0.262	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-29.1	-178.9	-63.4	163.2	175.5	0	0	111.8	R314 N458	R314-E460 IonicContact CZ-OE1 2.75Å; R314-E460 IonicContact NH2-OE1 3.23Å; R314-E460 PolarHBondContact NH2-OE1 3.48Å; R314-E460 IonicContact NH2-OE2 2.72Å; R314-E460 PolarHBondContact NH2-OE2 3.25Å; N458-E460 PolarHBondContact ND2-OE2 3.04Å; N458-E460 PolarHBondContact O-N 2.7Å; N458-E460 PolarHBondContact OD1-N 2.85Å
461	T	77.4	Confident	88.4	Confident	49 Å²	49	55.6 Å²	55.6	30%	0.301	28%	0.277	S	S	.	.	S	Bend	trans	-92.5	133.5	176.5	47.8	0	0	0	0	110.2	D393 N458 F463	D393-T461 PolarHBondContact O-OG1 2.76Å; N458-T461 PolarHBondContact O-OG1 3.03Å; T461-F463 WeakPolarHBondContact O-CD2 2.94Å; T461-F463 PolarHBondContact O-N 2.79Å; T461-F463 WeakPolarHBondContact OG1-CE2 3.13Å
462	H	79.4	Confident	88.4	Confident	133 Å²	133	53 Å²	53	62%	0.616	26%	0.261	S	S	*	.			trans	-87.5	112.3	-180	177.8	-88.6	0	0	0	110
463	F	83.3	Confident	88.4	Confident	33 Å²	33	53.2 Å²	53.2	15%	0.145	26%	0.262	C	S	.	.			trans	-102.9	122.1	171.2	-60.8	-89.8	0	0	0	110.5	D393 L395 L457 T461 R468	D393-F463 VanDerWaalsContact O-CZ 3.25Å; D393-F463 WeakPolarHBondContact O-CZ 3.16Å; L395-F463 HydrophobicContact CB-CE1 4.23Å; L395-F463 HydrophobicContact CD1-CD1 4.03Å; L395-F463 HydrophobicContact CD1-CE1 4.02Å; L395-F463 HydrophobicContact CG-CE1 4.08Å; L457-F463 HydrophobicContact CB-CD2 3.82Å; L457-F463 HydrophobicContact CB-CE2 3.74Å; L457-F463 HydrophobicContact CD1-CB 3.85Å; L457-F463 HydrophobicContact CD1-CD1 4.45Å; L457-F463 HydrophobicContact CD1-CD2 3.66Å; L457-F463 HydrophobicContact CD1-CE2 4.22Å; L457-F463 HydrophobicContact CD1-CG 3.75Å; L457-F463 HydrophobicContact CD2-CD2 4.22Å; L457-F463 HydrophobicContact CD2-CE1 4.35Å; L457-F463 HydrophobicContact CD2-CE2 3.97Å; L457-F463 HydrophobicContact CD2-CG 4.47Å; L457-F463 HydrophobicContact CD2-CZ 4.02Å; L457-F463 HydrophobicContact CG-CD2 4.11Å; L457-F463 HydrophobicContact CG-CE2 4.18Å; T461-F463 WeakPolarHBondContact O-CD2 2.94Å; T461-F463 PolarHBondContact O-N 2.79Å; T461-F463 WeakPolarHBondContact OG1-CE2 3.13Å; F463-R468 HydrophobicContact CB-CG 4.16Å
464	S	85.2	Confident	88.7	Confident	40 Å²	40	52.8 Å²	52.8	28%	0.28	26%	0.259	S	S	.	.			trans	-64.5	161.9	167.2	69.4	0	0	0	0	110.7	S466 Q467	S464-S466 VanDerWaalsContact C-N 3.29Å; S464-S466 PolarHBondContact O-N 3.47Å; S464-Q467 PolarHBondContact O-N 2.72Å; S464-Q467 VanDerWaalsContact OG-CG 3.28Å; S464-Q467 WeakPolarHBondContact OG-CG 3.45Å; S464-Q467 PolarHBondContact OG-N 3.31Å; S464-Q467 PolarHBondContact OG-OE1 2.99Å
465	N	84.6	Confident	89.1	Confident	96 Å²	96	45.9 Å²	45.9	51%	0.513	23%	0.229	S	C	.	.	S	Bend	trans	-59.7	-45.1	176.2	-167.2	49.1	0	0	0	111	Q467 R468 N469	N465-Q467 VanDerWaalsContact C-N 3.31Å; N465-Q467 PolarHBondContact O-N 3.16Å; N465-R468 PolarHBondContact O-N 2.87Å; N465-R468 VanDerWaalsContact O-N 3.13Å; N465-R468 PolarHBondContact OD1-NH2 2.87Å; N465-N469 PolarHBondContact O-ND2 3.19Å
466	S	86	Confident	89.5	Confident	66 Å²	66	41.6 Å²	41.6	46%	0.462	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-60.8	-36.1	-176.9	-54.6	0	0	0	0	112.6	S464 R468 N469 I591	S464-S466 VanDerWaalsContact C-N 3.29Å; S464-S466 PolarHBondContact O-N 3.47Å; S466-R468 PolarHBondContact O-N 3.48Å; S466-R468 VanDerWaalsContact O-N 3.11Å; S466-N469 PolarHBondContact O-N 3.3Å; S466-N469 VanDerWaalsContact O-N 3.11Å; S466-I591 VanDerWaalsContact C-CD1 3.41Å; S466-I591 VanDerWaalsContact CB-CD1 3.48Å; S466-I591 VanDerWaalsContact CB-CG1 3.48Å
467	Q	88.9	Confident	89.8	Confident	78 Å²	78	41.3 Å²	41.3	36%	0.364	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-65.2	-16.8	179.6	-79.2	169	-54.4	0	0	113.5	S464 N465 I591	S464-Q467 PolarHBondContact O-N 2.72Å; S464-Q467 VanDerWaalsContact OG-CG 3.28Å; S464-Q467 WeakPolarHBondContact OG-CG 3.45Å; S464-Q467 PolarHBondContact OG-N 3.31Å; S464-Q467 PolarHBondContact OG-OE1 2.99Å; N465-Q467 VanDerWaalsContact C-N 3.31Å; N465-Q467 PolarHBondContact O-N 3.16Å; Q467-I591 HydrophobicContact CB-CD1 4.08Å; Q467-I591 HydrophobicContact CG-CD1 3.41Å; Q467-I591 VanDerWaalsContact CG-CD1 3.41Å; Q467-I591 VanDerWaalsContact N-CD1 3.26Å
468	R	94	Very high	90	Very high	17 Å²	17	40.9 Å²	40.9	6%	0.064	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-97.8	-6.3	-178.8	-54.6	-177.4	-54.7	142.8	1.7	112.7	L395 V451 I452 K454 L457 F463 N465 S466	L395-R468 HydrophobicContact CD1-CG 4.34Å; V451-R468 WeakPolarHBondContact CA-O 3.35Å; I452-R468 HydrophobicContact CB-CB 4.17Å; I452-R468 PolarHBondContact N-O 3.08Å; I452-R468 WeakPolarHBondContact O-CD 3.4Å; I452-R468 PolarHBondContact O-NH1 2.9Å; K454-R468 VanDerWaalsContact CE-NH2 3.31Å; K454-R468 VanDerWaalsContact N-NH1 3.13Å; L457-R468 HydrophobicContact CD1-CG 3.82Å; F463-R468 HydrophobicContact CB-CG 4.16Å; N465-R468 PolarHBondContact O-N 2.87Å; N465-R468 VanDerWaalsContact O-N 3.13Å; N465-R468 PolarHBondContact OD1-NH2 2.87Å; S466-R468 PolarHBondContact O-N 3.48Å; S466-R468 VanDerWaalsContact O-N 3.11Å
469	N	95.4	Very high	90.4	Very high	29 Å²	29	41.3 Å²	41.3	16%	0.155	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	124.2	-177.8	-73.7	-87.2	0	0	0	109.3	V451 N465 S466 Q590	V451-N469 WeakPolarHBondContact CG2-OD1 3.49Å; N465-N469 PolarHBondContact O-ND2 3.19Å; S466-N469 PolarHBondContact O-N 3.3Å; S466-N469 VanDerWaalsContact O-N 3.11Å; N469-Q590 HydrophobicContact CB-CB 4.09Å; N469-Q590 HydrophobicContact CB-CG 4.06Å; N469-Q590 PolarHBondContact O-N 2.79Å
470	Y	96.2	Very high	90.9	Very high	3 Å²	3	33.4 Å²	33.4	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	150.7	177.2	-73.7	-96.2	0	0	0	111	L395 P396 L399 K449 L450 I452 E588	L395-Y470 WeakPolarHBondContact CB-OH 3Å; L395-Y470 HydrophobicContact CD1-CE2 4.36Å; L395-Y470 HydrophobicContact CD2-CE2 4.24Å; P396-Y470 VanDerWaalsContact O-CE1 3.29Å; P396-Y470 WeakPolarHBondContact O-CE1 3.41Å; P396-Y470 PolarHBondContact O-OH 3.21Å; L399-Y470 HydrophobicContact CB-CD1 4.1Å; L399-Y470 HydrophobicContact CB-CE1 3.74Å; K449-Y470 CarbonylContact C-O 3.16Å; K449-Y470 VanDerWaalsContact CA-O 3.29Å; K449-Y470 WeakPolarHBondContact CA-O 3.2Å; L450-Y470 PolarHBondContact N-O 3.18Å; L450-Y470 PolarHBondContact O-N 3.2Å; I452-Y470 HydrophobicContact CD1-CD2 4.49Å; I452-Y470 HydrophobicContact CG1-CD2 4Å; I452-Y470 HydrophobicContact CG1-CE2 3.9Å; Y470-E588 CarbonylContact C-O 3.6Å; Y470-E588 VanDerWaalsContact CA-O 3.24Å; Y470-E588 WeakPolarHBondContact CA-O 3.44Å; Y470-E588 VanDerWaalsContact CD1-C 3.49Å
471	R	94.7	Very high	91.5	Very high	83 Å²	83	35.9 Å²	35.9	31%	0.313	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	134.5	172.8	-179.2	178	64.2	-178.6	-2.1	109.5	Q473 Y587 E588 Q590	R471-Q473 PolarHBondContact O-N 3.27Å; R471-Y587 CarbonylContact O-C 3.57Å; R471-Y587 WeakPolarHBondContact O-CA 3.46Å; R471-E588 IonicContact CZ-OE2 2.72Å; R471-E588 PolarHBondContact N-O 3.4Å; R471-E588 IonicContact NE-OE2 2.78Å; R471-E588 IonicContact NH2-OE2 3.69Å; R471-E588 PolarHBondContact NH2-OE2 2.93Å; R471-E588 PolarHBondContact O-N 2.98Å; R471-Q590 HydrophobicContact CB-CG 4.45Å
472	L	96.4	Very high	91.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	118.2	174.9	-174.7	71.9	0	0	0	109.7	I446 S448 V475 R493 F508 L529 L585 Y587	I446-L472 HydrophobicContact CG2-CD1 4.16Å; I446-L472 HydrophobicContact CG2-CD2 3.73Å; S448-L472 PolarHBondContact O-N 2.8Å; L472-V475 HydrophobicContact CD1-CG2 3.9Å; L472-V475 HydrophobicContact CD2-CG2 3.76Å; L472-V475 HydrophobicContact CG-CG2 4.09Å; L472-R493 PolarHBondContact O-NE 2.83Å; L472-R493 PolarHBondContact O-NH2 3.06Å; L472-F508 HydrophobicContact CD2-CZ 4.47Å; L472-L529 HydrophobicContact CD2-CD1 4.03Å; L472-L529 HydrophobicContact CD2-CD2 3.91Å; L472-L585 HydrophobicContact CD1-CB 4.25Å; L472-Y587 HydrophobicContact CB-CD1 4.16Å; L472-Y587 HydrophobicContact CB-CE1 3.76Å; L472-Y587 HydrophobicContact CD1-CD1 4.31Å; L472-Y587 HydrophobicContact CD1-CD2 4.28Å; L472-Y587 HydrophobicContact CD1-CE1 3.88Å; L472-Y587 HydrophobicContact CD1-CE2 3.86Å; L472-Y587 HydrophobicContact CD1-CG 4.49Å; L472-Y587 HydrophobicContact CG-CE1 4.45Å
473	Q	95.3	Very high	92	Very high	4 Å²	4	30 Å²	30	2%	0.019	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-41	-175.9	-176.5	58.2	15.7	0	0	112	R471 R493 T495 L586 E588	R471-Q473 PolarHBondContact O-N 3.27Å; Q473-R493 PolarHBondContact NE2-O 2.79Å; Q473-R493 WeakPolarHBondContact O-CB 3.39Å; Q473-R493 PolarHBondContact O-N 2.76Å; Q473-T495 VanDerWaalsContact NE2-CG2 3.32Å; Q473-L586 HydrophobicContact CB-CD2 4.13Å; Q473-L586 HydrophobicContact CB-CG 4.22Å; Q473-L586 HydrophobicContact CG-CD2 4.03Å; Q473-L586 PolarHBondContact N-O 2.88Å; Q473-E588 HydrophobicContact CB-CB 4.21Å
474	A	97.5	Very high	91.8	Very high	1 Å²	1	34 Å²	34	1%	0.008	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	157.9	175.9	0	0	0	0	0	112.8	I490 A491 V492 L586	A474-I490 HydrophobicContact CB-CD1 4.35Å; A474-A491 CarbonylContact C-O 3.47Å; A474-A491 WeakPolarHBondContact CA-O 2.99Å; A474-A491 WeakPolarHBondContact CB-O 3.02Å; A474-V492 HydrophobicContact CB-CG2 4.28Å; A474-L586 HydrophobicContact CB-CB 3.99Å; A474-L586 HydrophobicContact CB-CD2 4.07Å; A474-L586 PolarHBondContact N-O 3.32Å; A474-L586 PolarHBondContact O-N 3.05Å
475	V	98.5	Very high	91.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	115.8	175.2	-178.2	0	0	0	0	109.3	L472 F477 I490 A491 L529 P582 I584 L585	L472-V475 HydrophobicContact CD1-CG2 3.9Å; L472-V475 HydrophobicContact CD2-CG2 3.76Å; L472-V475 HydrophobicContact CG-CG2 4.09Å; V475-F477 HydrophobicContact CB-CD2 4.36Å; V475-F477 HydrophobicContact CB-CE2 3.64Å; V475-F477 HydrophobicContact CB-CZ 3.79Å; V475-F477 HydrophobicContact CG1-CD1 4.15Å; V475-F477 HydrophobicContact CG1-CD2 3.91Å; V475-F477 HydrophobicContact CG1-CE1 3.76Å; V475-F477 HydrophobicContact CG1-CE2 3.47Å; V475-F477 VanDerWaalsContact CG1-CE2 3.47Å; V475-F477 HydrophobicContact CG1-CG 4.22Å; V475-F477 HydrophobicContact CG1-CZ 3.37Å; V475-F477 VanDerWaalsContact O-CD2 3.3Å; V475-F477 WeakPolarHBondContact O-CD2 3.33Å; V475-F477 VanDerWaalsContact O-CE2 3.27Å; V475-F477 WeakPolarHBondContact O-CE2 3.25Å; V475-I490 CarbonylContact O-C 3.57Å; V475-I490 VanDerWaalsContact O-CA 3.3Å; V475-I490 WeakPolarHBondContact O-CA 3.32Å; V475-I490 WeakPolarHBondContact O-CG1 3.4Å; V475-A491 PolarHBondContact N-O 2.78Å; V475-A491 PolarHBondContact O-N 2.89Å; V475-L529 HydrophobicContact CG2-CD2 4Å; V475-P582 HydrophobicContact CG1-CB 3.84Å; V475-I584 CarbonylContact C-O 3.5Å; V475-I584 WeakPolarHBondContact CA-O 3.09Å; V475-L585 HydrophobicContact CB-CD2 4.46Å; V475-L585 HydrophobicContact CG1-CD2 3.86Å; V475-L585 HydrophobicContact CG2-CD2 4.02Å
476	I	98.6	Very high	91.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	131.7	164.6	-63.9	172.8	0	0	0	107.6	A95 L99 A237 Y488 T489 I490 Y583 I584	A95-I476 HydrophobicContact CB-CD1 4.28Å; A95-I476 HydrophobicContact CB-CG1 4.23Å; A95-I476 HydrophobicContact CB-CG2 4.04Å; L99-I476 HydrophobicContact CB-CD1 4.18Å; L99-I476 HydrophobicContact CD1-CD1 3.62Å; L99-I476 HydrophobicContact CD1-CG1 4Å; A237-I476 HydrophobicContact CB-CG2 4.38Å; I476-Y488 HydrophobicContact CG2-CD1 3.91Å; I476-T489 CarbonylContact C-O 3.6Å; I476-T489 WeakPolarHBondContact CA-O 3.32Å; I476-I490 HydrophobicContact CG1-CB 4.24Å; I476-I490 HydrophobicContact CG1-CD1 3.83Å; I476-I490 HydrophobicContact CG1-CG1 3.99Å; I476-Y583 WeakPolarHBondContact O-CA 3.48Å; I476-Y583 WeakPolarHBondContact O-CB 3.44Å; I476-Y583 PolarHBondContact O-N 3.22Å; I476-I584 HydrophobicContact CB-CB 4.1Å; I476-I584 HydrophobicContact CD1-CB 4.38Å; I476-I584 HydrophobicContact CD1-CD1 4.03Å; I476-I584 PolarHBondContact N-O 3.4Å; I476-I584 PolarHBondContact O-N 3.35Å; I476-I584 VanDerWaalsContact O-N 3.15Å
477	F	98	Very high	92	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	145.1	175.4	-57.1	-101	0	0	0	110.3	V475 Y488 T489 A491 Y510 L528 R580 T581 P582	V475-F477 HydrophobicContact CB-CD2 4.36Å; V475-F477 HydrophobicContact CB-CE2 3.64Å; V475-F477 HydrophobicContact CB-CZ 3.79Å; V475-F477 HydrophobicContact CG1-CD1 4.15Å; V475-F477 HydrophobicContact CG1-CD2 3.91Å; V475-F477 HydrophobicContact CG1-CE1 3.76Å; V475-F477 HydrophobicContact CG1-CE2 3.47Å; V475-F477 VanDerWaalsContact CG1-CE2 3.47Å; V475-F477 HydrophobicContact CG1-CG 4.22Å; V475-F477 HydrophobicContact CG1-CZ 3.37Å; V475-F477 VanDerWaalsContact O-CD2 3.3Å; V475-F477 WeakPolarHBondContact O-CD2 3.33Å; V475-F477 VanDerWaalsContact O-CE2 3.27Å; V475-F477 WeakPolarHBondContact O-CE2 3.25Å; F477-Y488 WeakPolarHBondContact O-CA 3.44Å; F477-T489 PolarHBondContact N-O 2.96Å; F477-T489 PolarHBondContact O-N 3.18Å; F477-A491 HydrophobicContact CE2-CB 3.82Å; F477-Y510 AromaticContact CD2-CE2 3.91Å; F477-Y510 HydrophobicContact CD2-CE2 3.91Å; F477-Y510 HydrophobicContact CE2-CD2 4.39Å; F477-Y510 HydrophobicContact CE2-CE2 4.04Å; F477-L528 HydrophobicContact CE1-CD1 4.27Å; F477-L528 HydrophobicContact CE1-CG 4.45Å; F477-L528 HydrophobicContact CE2-CD1 4.05Å; F477-L528 HydrophobicContact CE2-CG 4.41Å; F477-L528 HydrophobicContact CZ-CD1 3.67Å; F477-L528 HydrophobicContact CZ-CD2 4.26Å; F477-L528 HydrophobicContact CZ-CG 3.74Å; F477-R580 HydrophobicContact CB-CG 3.52Å; F477-R580 HydrophobicContact CD1-CG 3.61Å; F477-R580 HydrophobicContact CG-CG 3.73Å; F477-T581 WeakPolarHBondContact CA-O 3.48Å; F477-P582 HydrophobicContact CD1-CB 4.19Å; F477-P582 HydrophobicContact CD1-CG 4.01Å; F477-P582 HydrophobicContact CE1-CB 4.15Å; F477-P582 HydrophobicContact CE1-CG 3.77Å
478	H	96.1	Very high	92.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	116.9	164.5	-177.8	-75.2	0	0	0	109.5	F406 K439 T482 G486 Y488 T581	F406-H478 HydrophobicContact CZ-CB 4.48Å; F406-H478 AromaticContact CZ-CD2 3.67Å; F406-H478 AromaticContact CZ-CE1 3.88Å; F406-H478 AromaticContact CZ-CG 3.82Å; F406-H478 AromaticContact CZ-ND1 3.97Å; F406-H478 AromaticContact CZ-NE2 3.7Å; K439-H478 PolarHBondContact NZ-ND1 3.11Å; K439-H478 PolarHBondContact NZ-O 2.87Å; H478-T482 PolarHBondContact CE1-O 3.26Å; H478-T482 VanDerWaalsContact CE1-O 3.26Å; H478-G486 VanDerWaalsContact CE1-CA 3.48Å; H478-G486 WeakPolarHBondContact CE1-CA 3.46Å; H478-Y488 HydrophobicContact CB-CD1 4.32Å; H478-Y488 HydrophobicContact CB-CE1 4.08Å; H478-Y488 AromaticContact CD2-CE1 3.69Å; H478-Y488 AromaticContact CD2-CE2 3.98Å; H478-Y488 AromaticContact CD2-CZ 3.54Å; H478-T581 PolarHBondContact N-O 2.94Å; H478-T581 PolarHBondContact O-N 3.48Å; H478-T581 PolarHBondContact O-OG1 3.22Å
479	V	94.8	Very high	92.5	Very high	13 Å²	13	24.6 Å²	24.6	8%	0.079	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	131.7	170.9	-173.6	0	0	0	0	108.4	G486 H487 T489 V574 H578 P579 R580	V479-G486 CarbonylContact O-C 3.53Å; V479-G486 VanDerWaalsContact O-C 3.27Å; V479-G486 WeakPolarHBondContact O-CA 3.42Å; V479-H487 HydrophobicContact CB-CB 4.27Å; V479-H487 WeakPolarHBondContact CB-O 3.22Å; V479-H487 PolarHBondContact N-O 3.12Å; V479-H487 PolarHBondContact O-N 3.3Å; V479-T489 HydrophobicContact CG2-CG2 4.35Å; V479-V574 HydrophobicContact CG1-CG1 3.83Å; V479-H578 HydrophobicContact CG1-CB 3.98Å; V479-P579 WeakPolarHBondContact CA-O 3.41Å; V479-R580 HydrophobicContact CG2-CB 4.02Å; V479-R580 HydrophobicContact CG2-CG 3.92Å
480	G	92.7	Very high	92.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	117.6	166.5	-176.8	0	0	0	0	0	113.1	K439 P579	K439-G480 WeakPolarHBondContact CD-O 3.38Å; K439-G480 PolarHBondContact NZ-O 3.3Å; G480-P579 PolarHBondContact N-O 3.29Å
481	E	88.6	Confident	92.7	Very high	108 Å²	108	23.2 Å²	23.2	51%	0.505	12%	0.118	S	C	.	.	S	Bend	trans	-102.9	-23.6	-173.8	-67.7	-177.7	-154.7	0	0	113.8	K439 P579	K439-E481 WeakPolarHBondContact CB-O 3.49Å; E481-P579 HydrophobicContact CG-CG 3.8Å
482	T	85.2	Confident	92.7	Very high	54 Å²	54	19.4 Å²	19.4	33%	0.331	10%	0.104	S	C	.	.	S	Bend	trans	-120.6	166.5	-175.2	70.5	0	0	0	0	110.7	H478 S485	H478-T482 PolarHBondContact CE1-O 3.26Å; H478-T482 VanDerWaalsContact CE1-O 3.26Å; T482-S485 PolarHBondContact OG1-N 3.43Å; T482-S485 VanDerWaalsContact OG1-N 3.14Å; T482-S485 PolarHBondContact OG1-OG 3.01Å
483	V	82.1	Confident	92.6	Very high	4 Å²	4	20 Å²	20	2%	0.024	11%	0.106	C	C	.	.	S	Bend	trans	-74.5	-25.5	173.4	-69.7	0	0	0	0	113.2	F4 S5 A8 F406 I437	F4-V483 HydrophobicContact CD1-CB 3.38Å; F4-V483 HydrophobicContact CD1-CG1 3.84Å; F4-V483 WeakPolarHBondContact CD1-O 3.27Å; F4-V483 HydrophobicContact CD2-CG1 4.44Å; F4-V483 VanDerWaalsContact CE1-CA 3.47Å; F4-V483 HydrophobicContact CE1-CB 3.34Å; F4-V483 HydrophobicContact CE1-CG1 3.39Å; F4-V483 WeakPolarHBondContact CE1-O 3.17Å; F4-V483 HydrophobicContact CE2-CG1 4.09Å; F4-V483 HydrophobicContact CG-CB 4.09Å; F4-V483 HydrophobicContact CG-CG1 4.35Å; F4-V483 HydrophobicContact CZ-CB 4.05Å; F4-V483 HydrophobicContact CZ-CG1 3.56Å; S5-V483 WeakPolarHBondContact OG-CG2 3.41Å; A8-V483 HydrophobicContact CB-CG1 4.17Å; F406-V483 HydrophobicContact CB-CG1 4.13Å; F406-V483 HydrophobicContact CD1-CG1 3.23Å; F406-V483 HydrophobicContact CD2-CG1 4.45Å; F406-V483 HydrophobicContact CE1-CG1 3.61Å; F406-V483 HydrophobicContact CG-CG1 3.68Å; F406-V483 HydrophobicContact CZ-CG1 4.38Å; I437-V483 HydrophobicContact CB-CG1 4.33Å; I437-V483 HydrophobicContact CB-CG2 3.87Å; I437-V483 HydrophobicContact CG1-CG2 4.36Å; I437-V483 HydrophobicContact CG2-CB 4.45Å; I437-V483 HydrophobicContact CG2-CG1 3.53Å; I437-V483 HydrophobicContact CG2-CG2 4.01Å
484	E	78.1	Confident	92.2	Very high	118 Å²	118	21.7 Å²	21.7	55%	0.551	12%	0.116	S	C	*	.	S	Bend	trans	-89	-21	-175	-54	-170.7	154.6	0	0	112.4	S5	S5-E484 PolarHBondContact OG-OE1 3.31Å
485	S	77.7	Confident	90.9	Very high	70 Å²	70	23.7 Å²	23.7	49%	0.49	13%	0.127	S	C	.	.	S	Bend	trans	-137.8	81.6	-179.9	68.8	0	0	0	0	110.3	T482	T482-S485 PolarHBondContact OG1-N 3.43Å; T482-S485 VanDerWaalsContact OG1-N 3.14Å; T482-S485 PolarHBondContact OG1-OG 3.01Å
486	G	88.6	Confident	89.5	Confident	2 Å²	2	25.2 Å²	25.2	2%	0.021	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	-173	176.5	0	0	0	0	0	113.2	Q234 H478 V479	Q234-G486 PolarHBondContact NE2-O 3.25Å; Q234-G486 VanDerWaalsContact OE1-CA 3.3Å; H478-G486 VanDerWaalsContact CE1-CA 3.48Å; H478-G486 WeakPolarHBondContact CE1-CA 3.46Å; V479-G486 CarbonylContact O-C 3.53Å; V479-G486 VanDerWaalsContact O-C 3.27Å; V479-G486 WeakPolarHBondContact O-CA 3.42Å
487	H	93.7	Very high	87.4	Confident	22 Å²	22	27.8 Å²	27.8	10%	0.102	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	130.9	169.6	-179.6	50.6	0	0	0	109.4	C91 V479 D512 D513 V574	C91-H487 WeakPolarHBondContact CB-CE1 3.25Å; C91-H487 VanDerWaalsContact CB-ND1 3.29Å; C91-H487 WeakPolarHBondContact CB-ND1 3.44Å; C91-H487 PolarHBondContact SG-ND1 3.31Å; C91-H487 VanDerWaalsContact SG-ND1 3.45Å; V479-H487 HydrophobicContact CB-CB 4.27Å; V479-H487 WeakPolarHBondContact CB-O 3.22Å; V479-H487 PolarHBondContact N-O 3.12Å; V479-H487 PolarHBondContact O-N 3.3Å; H487-D512 IonicContact CD2-OD1 3.05Å; H487-D512 IonicContact CE1-OD1 2.89Å; H487-D512 IonicContact NE2-OD1 3.67Å; H487-D512 PolarHBondContact NE2-OD1 3.14Å; H487-D513 IonicContact CE1-OD2 3.97Å; H487-D513 PolarHBondContact CE1-OD2 2.82Å; H487-D513 IonicContact NE2-OD2 3.55Å; H487-V574 HydrophobicContact CB-CG1 4.42Å; H487-V574 HydrophobicContact CB-CG2 3.56Å
488	Y	96.3	Very high	85.1	Confident	2 Å²	2	34.8 Å²	34.8	1%	0.008	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	134.1	-179	-68	-85.6	0	0	0	110.6	C91 F92 E235 A237 I476 F477 H478 Y583	C91-Y488 PolarHBondContact SG-N 3.12Å; C91-Y488 VanDerWaalsContact SG-N 3.44Å; F92-Y488 HydrophobicContact CB-CD2 3.56Å; F92-Y488 HydrophobicContact CB-CE2 3.74Å; F92-Y488 HydrophobicContact CB-CG 4.26Å; E235-Y488 WeakPolarHBondContact O-CE2 3.46Å; A237-Y488 HydrophobicContact CB-CD1 3.53Å; A237-Y488 HydrophobicContact CB-CD2 4.42Å; A237-Y488 HydrophobicContact CB-CE1 3.35Å; A237-Y488 HydrophobicContact CB-CE2 4.29Å; A237-Y488 HydrophobicContact CB-CG 4.05Å; A237-Y488 PolarHBondContact N-OH 2.85Å; I476-Y488 HydrophobicContact CG2-CD1 3.91Å; F477-Y488 WeakPolarHBondContact O-CA 3.44Å; H478-Y488 HydrophobicContact CB-CD1 4.32Å; H478-Y488 HydrophobicContact CB-CE1 4.08Å; H478-Y488 AromaticContact CD2-CE1 3.69Å; H478-Y488 AromaticContact CD2-CE2 3.98Å; H478-Y488 AromaticContact CD2-CZ 3.54Å; Y488-Y583 HydrophobicContact CD1-CD1 4.48Å; Y488-Y583 AromaticContact CE1-CD1 3.71Å; Y488-Y583 HydrophobicContact CE1-CD1 3.71Å; Y488-Y583 AromaticContact CE1-CE1 3.92Å; Y488-Y583 HydrophobicContact CE1-CE1 3.92Å
489	T	97.4	Very high	83.1	Confident	4 Å²	4	41.2 Å²	41.2	3%	0.025	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	163.1	176.3	53.9	0	0	0	0	108.2	I476 F477 V479 Y510 F511 D512	I476-T489 CarbonylContact C-O 3.6Å; I476-T489 WeakPolarHBondContact CA-O 3.32Å; F477-T489 PolarHBondContact N-O 2.96Å; F477-T489 PolarHBondContact O-N 3.18Å; V479-T489 HydrophobicContact CG2-CG2 4.35Å; T489-Y510 WeakPolarHBondContact CB-OH 3.44Å; T489-Y510 HydrophobicContact CG2-CE1 4.25Å; T489-Y510 PolarHBondContact OG1-OH 2.89Å; T489-F511 WeakPolarHBondContact CB-O 3.36Å; T489-D512 HydrophobicContact CG2-CB 4.1Å
490	I	98.4	Very high	80.6	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	137.8	-176.9	-176.4	174.6	0	0	0	111.5	A95 Q98 L99 A474 V475 I476 V492 Y510 F511	A95-I490 HydrophobicContact CB-CB 4.42Å; A95-I490 WeakPolarHBondContact O-CD1 3.44Å; Q98-I490 HydrophobicContact CB-CD1 4Å; Q98-I490 HydrophobicContact CB-CG2 3.63Å; Q98-I490 HydrophobicContact CG-CG2 3.98Å; L99-I490 HydrophobicContact CB-CD1 3.68Å; L99-I490 HydrophobicContact CG-CD1 4.48Å; A474-I490 HydrophobicContact CB-CD1 4.35Å; V475-I490 CarbonylContact O-C 3.57Å; V475-I490 VanDerWaalsContact O-CA 3.3Å; V475-I490 WeakPolarHBondContact O-CA 3.32Å; V475-I490 WeakPolarHBondContact O-CG1 3.4Å; I476-I490 HydrophobicContact CG1-CB 4.24Å; I476-I490 HydrophobicContact CG1-CD1 3.83Å; I476-I490 HydrophobicContact CG1-CG1 3.99Å; I490-V492 HydrophobicContact CD1-CG2 3.89Å; I490-V492 HydrophobicContact CG1-CG2 3.94Å; I490-Y510 CarbonylContact O-C 3.59Å; I490-Y510 WeakPolarHBondContact O-CA 3.44Å; I490-F511 HydrophobicContact CG2-CB 3.86Å; I490-F511 HydrophobicContact CG2-CD2 4.21Å; I490-F511 HydrophobicContact CG2-CG 4.43Å; I490-F511 PolarHBondContact N-O 3.02Å; I490-F511 PolarHBondContact O-N 3.5Å
491	A	97.8	Very high	78	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	132.8	164.6	0	0	0	0	0	109.9	A474 V475 F477 F508 I509 Y510 L528	A474-A491 CarbonylContact C-O 3.47Å; A474-A491 WeakPolarHBondContact CA-O 2.99Å; A474-A491 WeakPolarHBondContact CB-O 3.02Å; V475-A491 PolarHBondContact N-O 2.78Å; V475-A491 PolarHBondContact O-N 2.89Å; F477-A491 HydrophobicContact CE2-CB 3.82Å; A491-F508 HydrophobicContact CB-CD1 3.82Å; A491-I509 CarbonylContact C-O 3.45Å; A491-I509 VanDerWaalsContact CA-O 3.31Å; A491-I509 WeakPolarHBondContact CA-O 3.39Å; A491-Y510 HydrophobicContact CB-CD2 4.04Å; A491-L528 HydrophobicContact CB-CD2 3.65Å
492	V	96	Very high	75.6	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.018	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	133.8	176.9	-174.5	0	0	0	0	109.4	N102 A474 I490 F508 I509 F511	N102-V492 HydrophobicContact CB-CB 4.38Å; N102-V492 HydrophobicContact CB-CG1 3.35Å; N102-V492 HydrophobicContact CB-CG2 4.25Å; A474-V492 HydrophobicContact CB-CG2 4.28Å; I490-V492 HydrophobicContact CD1-CG2 3.89Å; I490-V492 HydrophobicContact CG1-CG2 3.94Å; V492-F508 CarbonylContact O-C 3.57Å; V492-F508 VanDerWaalsContact O-CA 3.24Å; V492-F508 WeakPolarHBondContact O-CA 3.39Å; V492-I509 PolarHBondContact N-O 2.7Å; V492-I509 PolarHBondContact O-N 3.28Å; V492-F511 HydrophobicContact CB-CE2 4.2Å; V492-F511 HydrophobicContact CG2-CD2 4.24Å; V492-F511 HydrophobicContact CG2-CE2 3.99Å
493	R	93.4	Very high	73.4	Confident	12 Å²	12	58.9 Å²	58.9	5%	0.045	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	131.5	172.9	-177.8	-177.2	-63.3	-82.1	-4	110.1	L472 Q473 T495 S506 T507 F508	L472-R493 PolarHBondContact O-NE 2.83Å; L472-R493 PolarHBondContact O-NH2 3.06Å; Q473-R493 PolarHBondContact NE2-O 2.79Å; Q473-R493 WeakPolarHBondContact O-CB 3.39Å; Q473-R493 PolarHBondContact O-N 2.76Å; R493-T495 PolarHBondContact O-N 3.44Å; R493-S506 PolarHBondContact NH1-OG 3.33Å; R493-T507 WeakPolarHBondContact CA-O 3.19Å; R493-F508 HydrophobicContact CB-CD1 4.28Å; R493-F508 HydrophobicContact CB-CE1 3.88Å; R493-F508 HydrophobicContact CB-CE2 4.35Å; R493-F508 HydrophobicContact CB-CZ 3.91Å; R493-F508 VanDerWaalsContact N-CD1 3.33Å
494	I	86	Confident	72	Confident	41 Å²	41	65.9 Å²	65.9	21%	0.21	36%	0.357	C	S	.	.			trans	-71.6	122.1	173.4	-56.2	-178.7	0	0	0	109	N496 T507 I509 V518	I494-N496 HydrophobicContact CG2-CB 4.15Å; I494-T507 HydrophobicContact CD1-CG2 3.6Å; I494-T507 HydrophobicContact CG1-CG2 4.28Å; I494-T507 PolarHBondContact N-O 3.34Å; I494-I509 HydrophobicContact CD1-CD1 3.81Å; I494-I509 HydrophobicContact CD1-CG1 3.58Å; I494-I509 HydrophobicContact CG1-CD1 3.79Å; I494-I509 HydrophobicContact CG1-CG1 3.6Å; I494-V518 HydrophobicContact CD1-CG2 4.29Å
495	T	71.2	Confident	71	Confident	42 Å²	42	63.5 Å²	63.5	26%	0.258	35%	0.354	S	S	.	.			trans	-118.2	16.5	177.8	48.6	0	0	0	0	113.1	Q473 R493 P497	Q473-T495 VanDerWaalsContact NE2-CG2 3.32Å; R493-T495 PolarHBondContact O-N 3.44Å; T495-P497 VanDerWaalsContact O-CD 3.25Å; T495-P497 WeakPolarHBondContact O-CD 3.5Å
496	N	67.9	Low	70.9	Confident	33 Å²	33	62.6 Å²	62.6	18%	0.176	35%	0.347	C	S	.	.			trans	-49.1	113.1	-174	-172.4	-9.6	0	0	0	111.7	Y78 I494 L498 E499	Y78-N496 HydrophobicContact CE2-CB 3.95Å; I494-N496 HydrophobicContact CG2-CB 4.15Å; N496-L498 PolarHBondContact O-N 3.02Å; N496-L498 WeakPolarHBondContact OD1-CB 3.3Å; N496-L498 PolarHBondContact OD1-N 2.8Å; N496-E499 PolarHBondContact O-N 3.23Å
497	P	54.4	Low	71	Confident	53 Å²	53	63.4 Å²	63.4	34%	0.344	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-24.5	-179.2	-18.1	29.6	0	0	0	113.1	T495 E499	T495-P497 VanDerWaalsContact O-CD 3.25Å; T495-P497 WeakPolarHBondContact O-CD 3.5Å; P497-E499 VanDerWaalsContact C-N 3.35Å
498	L	50.8	Low	71.1	Confident	148 Å²	148	62.4 Å²	62.4	78%	0.775	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-21.8	-178.7	-72.5	116.9	0	0	0	113	N496 K500	N496-L498 PolarHBondContact O-N 3.02Å; N496-L498 WeakPolarHBondContact OD1-CB 3.3Å; N496-L498 PolarHBondContact OD1-N 2.8Å; L498-K500 PolarHBondContact O-N 2.72Å
499	E	53.6	Low	71	Confident	135 Å²	135	62.5 Å²	62.5	63%	0.631	35%	0.348	S	S	*	.			trans	-83.9	70.7	170.1	-69.3	-167.6	176.8	0	0	109.7	N496 P497 S501	N496-E499 PolarHBondContact O-N 3.23Å; P497-E499 VanDerWaalsContact C-N 3.35Å; E499-S501 PolarHBondContact O-N 3.07Å
500	K	43.3	Very low	71	Confident	206 Å²	206	62.5 Å²	62.5	90%	0.896	35%	0.347	S	S	*	.			trans	-69.5	50.3	165.8	-72.1	-174.7	178.4	177.1	0	111.5	L498	L498-K500 PolarHBondContact O-N 2.72Å
501	S	38	Very low	71	Confident	92 Å²	92	62.5 Å²	62.5	64%	0.643	35%	0.348	S	S	*	.			trans	-105.8	112	175.1	163.8	0	0	0	0	109.5	E499	E499-S501 PolarHBondContact O-N 3.07Å
502	N	36.9	Very low	70.9	Confident	144 Å²	144	63.2 Å²	63.2	77%	0.77	35%	0.351	S	S	*	.	S	Bend	trans	19.4	109.5	164.9	-80.3	-13.8	0	0	0	118.7
503	S	40.8	Very low	70.9	Confident	103 Å²	103	63.9 Å²	63.9	72%	0.72	36%	0.355	S	S	*	.	S	Bend	trans	34.6	116.1	143.5	68.9	0	0	0	0	118.3	S505	S503-S505 PolarHBondContact O-N 3.22Å
504	N	51.7	Low	71	Confident	152 Å²	152	66.4 Å²	66.4	81%	0.813	37%	0.369	S	S	*	.			trans	71.6	19.9	161.8	-59.9	-23.1	0	0	0	118.1	S506	N504-S506 PolarHBondContact O-N 3.15Å; N504-S506 PolarHBondContact O-OG 3.42Å
505	S	57.1	Low	71.4	Confident	68 Å²	68	67.9 Å²	67.9	48%	0.476	37%	0.372	S	S	.	.			trans	-56.3	100.2	170.9	169.9	0	0	0	0	110.4	S503 T507	S503-S505 PolarHBondContact O-N 3.22Å; S505-T507 PolarHBondContact O-N 3.37Å; S505-T507 PolarHBondContact OG-OG1 3.39Å
506	S	76.6	Confident	72.6	Confident	51 Å²	51	66.2 Å²	66.2	36%	0.357	36%	0.362	S	S	.	.			trans	-87	32.8	177	-67.1	0	0	0	0	111.6	R493 N504 F508 I525	R493-S506 PolarHBondContact NH1-OG 3.33Å; N504-S506 PolarHBondContact O-N 3.15Å; N504-S506 PolarHBondContact O-OG 3.42Å; S506-F508 VanDerWaalsContact O-CD2 3.32Å; S506-F508 WeakPolarHBondContact O-CD2 3.34Å; S506-I525 WeakPolarHBondContact O-CD1 3.42Å
507	T	90.4	Very high	73.9	Confident	19 Å²	19	64.6 Å²	64.6	12%	0.117	35%	0.354	C	S	.	.			trans	-71.7	135.8	-172.6	-54	0	0	0	0	110.8	R493 I494 S505 V518 L519 N520	R493-T507 WeakPolarHBondContact CA-O 3.19Å; I494-T507 HydrophobicContact CD1-CG2 3.6Å; I494-T507 HydrophobicContact CG1-CG2 4.28Å; I494-T507 PolarHBondContact N-O 3.34Å; S505-T507 PolarHBondContact O-N 3.37Å; S505-T507 PolarHBondContact OG-OG1 3.39Å; T507-V518 HydrophobicContact CG2-CG1 3.85Å; T507-L519 WeakPolarHBondContact CA-O 3.45Å; T507-L519 WeakPolarHBondContact CG2-O 3.25Å; T507-N520 HydrophobicContact CG2-CB 4.1Å
508	F	94.8	Very high	75.8	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	143.9	172.9	-81	-99.6	0	0	0	110.6	L472 A491 V492 R493 S506 V518 L519 I525	L472-F508 HydrophobicContact CD2-CZ 4.47Å; A491-F508 HydrophobicContact CB-CD1 3.82Å; V492-F508 CarbonylContact O-C 3.57Å; V492-F508 VanDerWaalsContact O-CA 3.24Å; V492-F508 WeakPolarHBondContact O-CA 3.39Å; R493-F508 HydrophobicContact CB-CD1 4.28Å; R493-F508 HydrophobicContact CB-CE1 3.88Å; R493-F508 HydrophobicContact CB-CE2 4.35Å; R493-F508 HydrophobicContact CB-CZ 3.91Å; R493-F508 VanDerWaalsContact N-CD1 3.33Å; S506-F508 VanDerWaalsContact O-CD2 3.32Å; S506-F508 WeakPolarHBondContact O-CD2 3.34Å; F508-V518 CarbonylContact O-C 3.57Å; F508-V518 WeakPolarHBondContact O-CA 3.24Å; F508-L519 HydrophobicContact CB-CB 4.45Å; F508-L519 HydrophobicContact CB-CD1 4.46Å; F508-L519 PolarHBondContact N-O 2.83Å; F508-L519 PolarHBondContact O-N 2.87Å; F508-I525 HydrophobicContact CD2-CG1 4.31Å; F508-I525 HydrophobicContact CD2-CG2 4.31Å; F508-I525 HydrophobicContact CE2-CG2 4.3Å
509	I	95.3	Very high	77.9	Confident	5 Å²	5	56 Å²	56	3%	0.026	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	123.9	160.7	-55.9	173	0	0	0	106.9	P81 F211 A491 V492 I494 F511 A516 V518	P81-I509 HydrophobicContact CB-CD1 3.88Å; P81-I509 HydrophobicContact CG-CD1 3.44Å; P81-I509 VanDerWaalsContact CG-CD1 3.44Å; F211-I509 HydrophobicContact CD1-CG2 4.25Å; F211-I509 HydrophobicContact CD2-CD1 4.35Å; F211-I509 HydrophobicContact CD2-CG1 4.48Å; F211-I509 HydrophobicContact CE1-CD1 4.2Å; F211-I509 HydrophobicContact CE2-CD1 3.87Å; F211-I509 HydrophobicContact CE2-CG1 4.44Å; F211-I509 HydrophobicContact CG-CG2 4.3Å; F211-I509 HydrophobicContact CZ-CD1 3.79Å; A491-I509 CarbonylContact C-O 3.45Å; A491-I509 VanDerWaalsContact CA-O 3.31Å; A491-I509 WeakPolarHBondContact CA-O 3.39Å; V492-I509 PolarHBondContact N-O 2.7Å; V492-I509 PolarHBondContact O-N 3.28Å; I494-I509 HydrophobicContact CD1-CD1 3.81Å; I494-I509 HydrophobicContact CD1-CG1 3.58Å; I494-I509 HydrophobicContact CG1-CD1 3.79Å; I494-I509 HydrophobicContact CG1-CG1 3.6Å; I509-F511 HydrophobicContact CB-CD2 4.35Å; I509-F511 HydrophobicContact CB-CE2 3.66Å; I509-F511 HydrophobicContact CB-CZ 3.94Å; I509-F511 HydrophobicContact CD1-CZ 4.39Å; I509-F511 HydrophobicContact CG2-CD1 4.3Å; I509-F511 HydrophobicContact CG2-CD2 3.94Å; I509-F511 HydrophobicContact CG2-CE1 3.88Å; I509-F511 HydrophobicContact CG2-CE2 3.47Å; I509-F511 VanDerWaalsContact CG2-CE2 3.47Å; I509-F511 HydrophobicContact CG2-CG 4.34Å; I509-F511 HydrophobicContact CG2-CZ 3.45Å; I509-F511 VanDerWaalsContact CG2-CZ 3.45Å; I509-A516 HydrophobicContact CG2-CB 3.86Å; I509-V518 HydrophobicContact CG1-CG2 3.78Å
510	Y	97.3	Very high	79.6	Confident	3 Å²	3	52.4 Å²	52.4	1%	0.012	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	115.3	173	-176.9	-86.1	0	0	0	109.4	F477 T489 I490 A491 D512 A516 C517 L528 L535 T537 R580	F477-Y510 AromaticContact CD2-CE2 3.91Å; F477-Y510 HydrophobicContact CD2-CE2 3.91Å; F477-Y510 HydrophobicContact CE2-CD2 4.39Å; F477-Y510 HydrophobicContact CE2-CE2 4.04Å; T489-Y510 WeakPolarHBondContact CB-OH 3.44Å; T489-Y510 HydrophobicContact CG2-CE1 4.25Å; T489-Y510 PolarHBondContact OG1-OH 2.89Å; I490-Y510 CarbonylContact O-C 3.59Å; I490-Y510 WeakPolarHBondContact O-CA 3.44Å; A491-Y510 HydrophobicContact CB-CD2 4.04Å; Y510-D512 HydrophobicContact CE1-CB 4.38Å; Y510-A516 CarbonylContact O-C 3.27Å; Y510-A516 WeakPolarHBondContact O-CA 3.35Å; Y510-C517 PolarHBondContact N-O 3.02Å; Y510-C517 PolarHBondContact O-N 2.9Å; Y510-L528 HydrophobicContact CD2-CD1 3.67Å; Y510-L528 HydrophobicContact CE2-CD1 3.83Å; Y510-L535 HydrophobicContact CD1-CD2 3.74Å; Y510-L535 HydrophobicContact CD1-CG 4.3Å; Y510-L535 HydrophobicContact CD2-CD2 3.98Å; Y510-L535 HydrophobicContact CE1-CB 4.27Å; Y510-L535 HydrophobicContact CE1-CD2 4.08Å; Y510-L535 HydrophobicContact CE1-CG 4.3Å; Y510-L535 HydrophobicContact CE2-CD2 4.33Å; Y510-L535 HydrophobicContact CG-CD2 3.67Å; Y510-T537 HydrophobicContact CD1-CG2 3.62Å; Y510-T537 HydrophobicContact CE1-CG2 3.76Å; Y510-R580 WeakPolarHBondContact OH-CD 3.36Å
511	F	97.2	Very high	81.8	Confident	3 Å²	3	44.8 Å²	44.8	1%	0.013	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	133.4	178.7	-57.8	-96.6	0	0	0	110.7	P81 C82 L213 T489 I490 V492 I509 A516	P81-F511 HydrophobicContact CB-CE1 4.1Å; P81-F511 HydrophobicContact CB-CZ 3.9Å; C82-F511 WeakPolarHBondContact O-CE1 3.26Å; L213-F511 HydrophobicContact CD2-CD1 4.04Å; L213-F511 HydrophobicContact CD2-CE1 3.63Å; T489-F511 WeakPolarHBondContact CB-O 3.36Å; I490-F511 HydrophobicContact CG2-CB 3.86Å; I490-F511 HydrophobicContact CG2-CD2 4.21Å; I490-F511 HydrophobicContact CG2-CG 4.43Å; I490-F511 PolarHBondContact N-O 3.02Å; I490-F511 PolarHBondContact O-N 3.5Å; V492-F511 HydrophobicContact CB-CE2 4.2Å; V492-F511 HydrophobicContact CG2-CD2 4.24Å; V492-F511 HydrophobicContact CG2-CE2 3.99Å; I509-F511 HydrophobicContact CB-CD2 4.35Å; I509-F511 HydrophobicContact CB-CE2 3.66Å; I509-F511 HydrophobicContact CB-CZ 3.94Å; I509-F511 HydrophobicContact CD1-CZ 4.39Å; I509-F511 HydrophobicContact CG2-CD1 4.3Å; I509-F511 HydrophobicContact CG2-CD2 3.94Å; I509-F511 HydrophobicContact CG2-CE1 3.88Å; I509-F511 HydrophobicContact CG2-CE2 3.47Å; I509-F511 VanDerWaalsContact CG2-CE2 3.47Å; I509-F511 HydrophobicContact CG2-CG 4.34Å; I509-F511 HydrophobicContact CG2-CZ 3.45Å; I509-F511 VanDerWaalsContact CG2-CZ 3.45Å; F511-A516 HydrophobicContact CD1-CB 4.01Å; F511-A516 HydrophobicContact CE1-CB 4.39Å
512	D	96.4	Very high	84.3	Confident	15 Å²	15	44.4 Å²	44.4	8%	0.08	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	84.2	171.9	175.9	14.9	0	0	0	106.6	H487 T489 Y510 D514 R515 T537	H487-D512 IonicContact CD2-OD1 3.05Å; H487-D512 IonicContact CE1-OD1 2.89Å; H487-D512 IonicContact NE2-OD1 3.67Å; H487-D512 PolarHBondContact NE2-OD1 3.14Å; T489-D512 HydrophobicContact CG2-CB 4.1Å; Y510-D512 HydrophobicContact CE1-CB 4.38Å; D512-D514 PolarHBondContact O-N 2.89Å; D512-R515 CarbonylContact C-O 3.59Å; D512-R515 VanDerWaalsContact CG-NH2 3.32Å; D512-R515 PolarHBondContact N-O 2.86Å; D512-R515 PolarHBondContact O-N 3.22Å; D512-R515 IonicContact OD1-NH2 2.74Å; D512-R515 IonicContact OD2-CZ 3.53Å; D512-R515 VanDerWaalsContact OD2-CZ 3.28Å; D512-R515 IonicContact OD2-NH1 2.74Å; D512-R515 IonicContact OD2-NH2 3.28Å; D512-R515 PolarHBondContact OD2-NH2 3.39Å; D512-T537 HydrophobicContact CB-CG2 3.47Å; D512-T537 VanDerWaalsContact CB-CG2 3.47Å; D512-T537 PolarHBondContact OD2-OG1 3.31Å
513	D	95.7	Very high	86.9	Confident	16 Å²	16	44.3 Å²	44.3	9%	0.086	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	-104	-173.3	-65.8	-41.2	0	0	0	113.1	G83 F84 N86 N94 H487	G83-D513 CarbonylContact C-O 3.57Å; G83-D513 WeakPolarHBondContact CA-O 3.35Å; F84-D513 PolarHBondContact N-O 3.17Å; F84-D513 CarbonylContact O-C 3.48Å; F84-D513 WeakPolarHBondContact O-CA 3.44Å; F84-D513 VanDerWaalsContact O-CB 3.25Å; F84-D513 WeakPolarHBondContact O-CB 2.99Å; N86-D513 HydrophobicContact CB-CB 4.23Å; N86-D513 VanDerWaalsContact CB-OD2 3.25Å; N86-D513 WeakPolarHBondContact CB-OD2 3.23Å; N86-D513 PolarHBondContact ND2-OD2 3.37Å; N94-D513 PolarHBondContact ND2-OD1 3.33Å; H487-D513 IonicContact CE1-OD2 3.97Å; H487-D513 PolarHBondContact CE1-OD2 2.82Å; H487-D513 IonicContact NE2-OD2 3.55Å
514	D	95	Very high	89.4	Confident	66 Å²	66	39.5 Å²	39.5	35%	0.353	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	6.4	-176.6	64.5	-3.5	0	0	0	113.3	F84 L213 I216 D512	F84-D514 PolarHBondContact O-N 3.42Å; L213-D514 WeakPolarHBondContact CD1-O 3.03Å; I216-D514 HydrophobicContact CD1-CB 4.39Å; I216-D514 HydrophobicContact CG2-CB 3.89Å; D512-D514 PolarHBondContact O-N 2.89Å
515	R	94.8	Very high	91.4	Very high	71 Å²	71	32.8 Å²	32.8	27%	0.268	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	149.6	178.1	-69.3	169.1	-68.6	143.6	6.9	110.5	D512 T537	D512-R515 CarbonylContact C-O 3.59Å; D512-R515 VanDerWaalsContact CG-NH2 3.32Å; D512-R515 PolarHBondContact N-O 2.86Å; D512-R515 PolarHBondContact O-N 3.22Å; D512-R515 IonicContact OD1-NH2 2.74Å; D512-R515 IonicContact OD2-CZ 3.53Å; D512-R515 VanDerWaalsContact OD2-CZ 3.28Å; D512-R515 IonicContact OD2-NH1 2.74Å; D512-R515 IonicContact OD2-NH2 3.28Å; D512-R515 PolarHBondContact OD2-NH2 3.39Å; R515-T537 PolarHBondContact NH1-OG1 3.44Å; R515-T537 VanDerWaalsContact NH1-OG1 3.09Å
516	A	95.8	Very high	93.2	Very high	7 Å²	7	34.1 Å²	34.1	6%	0.058	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	155.1	174	0	0	0	0	0	112.3	F211 L213 I509 Y510 F511	F211-A516 HydrophobicContact CB-CB 4Å; F211-A516 HydrophobicContact CD1-CB 4.04Å; F211-A516 HydrophobicContact CG-CB 4.43Å; F211-A516 PolarHBondContact N-O 2.81Å; L213-A516 HydrophobicContact CD1-CB 3.86Å; L213-A516 HydrophobicContact CD2-CB 3.8Å; L213-A516 HydrophobicContact CG-CB 3.88Å; I509-A516 HydrophobicContact CG2-CB 3.86Å; Y510-A516 CarbonylContact O-C 3.27Å; Y510-A516 WeakPolarHBondContact O-CA 3.35Å; F511-A516 HydrophobicContact CD1-CB 4.01Å; F511-A516 HydrophobicContact CE1-CB 4.39Å
517	C	95.1	Very high	94	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	149.2	168.3	61.3	0	0	0	0	110.2	V208 R209 Y510 C540	V208-C517 HydrophobicContact CG1-CB 3.84Å; R209-C517 CarbonylContact O-C 3.3Å; R209-C517 WeakPolarHBondContact O-CA 2.89Å; R209-C517 VanDerWaalsContact O-CB 3.29Å; R209-C517 WeakPolarHBondContact O-CB 2.99Å; Y510-C517 PolarHBondContact N-O 3.02Å; Y510-C517 PolarHBondContact O-N 2.9Å; C517-C540 VanDerWaalsContact CB-SG 3.59Å
518	V	94.8	Very high	94.2	Very high	20 Å²	20	32.9 Å²	32.9	12%	0.121	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	133.5	175.9	146.8	0	0	0	0	109.7	V208 R209 F211 I494 T507 F508 I509 N520	V208-V518 CarbonylContact C-O 3.56Å; V208-V518 VanDerWaalsContact CA-O 3.29Å; V208-V518 WeakPolarHBondContact CA-O 3.41Å; R209-V518 PolarHBondContact N-O 3.24Å; R209-V518 PolarHBondContact O-N 3Å; F211-V518 HydrophobicContact CB-CG2 4.14Å; F211-V518 HydrophobicContact CD2-CB 4.41Å; F211-V518 HydrophobicContact CD2-CG2 3.38Å; F211-V518 HydrophobicContact CE2-CG2 4.12Å; F211-V518 HydrophobicContact CG-CG2 4.07Å; I494-V518 HydrophobicContact CD1-CG2 4.29Å; T507-V518 HydrophobicContact CG2-CG1 3.85Å; F508-V518 CarbonylContact O-C 3.57Å; F508-V518 WeakPolarHBondContact O-CA 3.24Å; I509-V518 HydrophobicContact CG1-CG2 3.78Å; V518-N520 HydrophobicContact CG1-CB 3.86Å
519	L	94.6	Very high	94.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	108.8	170.2	-61.1	90.8	0	0	0	108	G207 V208 T507 F508 S524 I525 L528 L535 F542	G207-L519 WeakPolarHBondContact O-CA 3.3Å; V208-L519 HydrophobicContact CG2-CD2 4.44Å; V208-L519 HydrophobicContact CG2-CG 4.29Å; T507-L519 WeakPolarHBondContact CA-O 3.45Å; T507-L519 WeakPolarHBondContact CG2-O 3.25Å; F508-L519 HydrophobicContact CB-CB 4.45Å; F508-L519 HydrophobicContact CB-CD1 4.46Å; F508-L519 PolarHBondContact N-O 2.83Å; F508-L519 PolarHBondContact O-N 2.87Å; L519-S524 WeakPolarHBondContact CD2-O 3.44Å; L519-I525 HydrophobicContact CB-CG1 4.32Å; L519-L528 HydrophobicContact CD2-CB 3.86Å; L519-L528 HydrophobicContact CD2-CD1 4.43Å; L519-L528 HydrophobicContact CD2-CD2 4Å; L519-L528 HydrophobicContact CD2-CG 4.31Å; L519-L535 HydrophobicContact CD1-CD2 4.39Å; L519-L535 HydrophobicContact CD2-CD2 4.48Å; L519-F542 HydrophobicContact CD2-CE2 4.27Å; L519-F542 HydrophobicContact CD2-CZ 3.92Å
520	N	89.6	Confident	94.2	Very high	60 Å²	60	35.5 Å²	35.5	32%	0.321	20%	0.195	S	C	.	.			trans	-118.1	11	-168.5	67.7	3.3	0	0	0	114.7	G207 T507 V518	G207-N520 PolarHBondContact O-N 3.36Å; G207-N520 VanDerWaalsContact O-N 3.07Å; G207-N520 PolarHBondContact O-OD1 3.34Å; T507-N520 HydrophobicContact CG2-CB 4.1Å; V518-N520 HydrophobicContact CG1-CB 3.86Å
521	N	89.9	Confident	94	Very high	45 Å²	45	37.1 Å²	37.1	24%	0.241	21%	0.205	C	C	.	.	S	Bend	trans	-136.6	159.4	175.7	74.7	15	0	0	0	112.3	G207 E523 S524 I525	G207-N521 VanDerWaalsContact CA-CG 3.42Å; G207-N521 WeakPolarHBondContact CA-ND2 3.23Å; G207-N521 WeakPolarHBondContact CA-OD1 3.38Å; G207-N521 PolarHBondContact N-ND2 2.93Å; N521-E523 VanDerWaalsContact C-N 3.27Å; N521-E523 PolarHBondContact O-N 3.13Å; N521-E523 PolarHBondContact OD1-N 2.86Å; N521-S524 PolarHBondContact O-N 2.78Å; N521-S524 PolarHBondContact O-OG 2.93Å; N521-S524 VanDerWaalsContact OD1-CB 3.22Å; N521-S524 WeakPolarHBondContact OD1-CB 3.25Å; N521-S524 PolarHBondContact OD1-N 2.9Å; N521-S524 PolarHBondContact OD1-OG 3.44Å; N521-I525 WeakPolarHBondContact O-CD1 3.36Å; N521-I525 VanDerWaalsContact O-CG1 3.25Å; N521-I525 WeakPolarHBondContact O-CG1 3.46Å; N521-I525 PolarHBondContact O-N 2.86Å
522	A	89.8	Confident	93.9	Very high	84 Å²	84	38.2 Å²	38.2	69%	0.694	21%	0.21	S	C	*	.	H	α-helix	trans	-60.3	-34.7	-176.4	0	0	0	0	0	113.3	N526	A522-N526 WeakPolarHBondContact O-CB 3.38Å; A522-N526 PolarHBondContact O-N 3.4Å
523	E	92.5	Very high	93.8	Very high	143 Å²	143	41.5 Å²	41.5	67%	0.668	22%	0.221	S	C	*	.	H	α-helix	trans	-66.6	-48.2	-178.6	-171.7	179.7	-177.6	0	0	112.2	N521 I525 N526 L527	N521-E523 VanDerWaalsContact C-N 3.27Å; N521-E523 PolarHBondContact O-N 3.13Å; N521-E523 PolarHBondContact OD1-N 2.86Å; E523-I525 VanDerWaalsContact C-N 3.34Å; E523-I525 PolarHBondContact O-N 3.5Å; E523-N526 PolarHBondContact O-N 2.79Å; E523-L527 WeakPolarHBondContact O-CB 3.41Å; E523-L527 PolarHBondContact O-N 2.74Å
524	S	93.7	Very high	93.6	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.007	22%	0.22	C	C	.	.	H	α-helix	trans	-64.5	-38.2	178.1	61	0	0	0	0	112	G207 L519 N521 L527 L528	G207-S524 PolarHBondContact O-OG 2.9Å; L519-S524 WeakPolarHBondContact CD2-O 3.44Å; N521-S524 PolarHBondContact O-N 2.78Å; N521-S524 PolarHBondContact O-OG 2.93Å; N521-S524 VanDerWaalsContact OD1-CB 3.22Å; N521-S524 WeakPolarHBondContact OD1-CB 3.25Å; N521-S524 PolarHBondContact OD1-N 2.9Å; N521-S524 PolarHBondContact OD1-OG 3.44Å; S524-L527 PolarHBondContact O-N 3.22Å; S524-L528 WeakPolarHBondContact O-CB 3.37Å; S524-L528 PolarHBondContact O-N 2.67Å
525	I	94.1	Very high	93.6	Very high	12 Å²	12	38.6 Å²	38.6	6%	0.062	21%	0.206	C	C	.	.	H	α-helix	trans	-67.6	-43	174.9	-60.6	155.5	0	0	0	110.6	S506 F508 L519 N521 E523 L527 L528 L529	S506-I525 WeakPolarHBondContact O-CD1 3.42Å; F508-I525 HydrophobicContact CD2-CG1 4.31Å; F508-I525 HydrophobicContact CD2-CG2 4.31Å; F508-I525 HydrophobicContact CE2-CG2 4.3Å; L519-I525 HydrophobicContact CB-CG1 4.32Å; N521-I525 WeakPolarHBondContact O-CD1 3.36Å; N521-I525 VanDerWaalsContact O-CG1 3.25Å; N521-I525 WeakPolarHBondContact O-CG1 3.46Å; N521-I525 PolarHBondContact O-N 2.86Å; E523-I525 VanDerWaalsContact C-N 3.34Å; E523-I525 PolarHBondContact O-N 3.5Å; I525-L527 VanDerWaalsContact C-N 3.3Å; I525-L527 PolarHBondContact O-N 2.72Å; I525-L528 WeakPolarHBondContact O-CB 3.48Å; I525-L528 PolarHBondContact O-N 3.27Å; I525-L529 HydrophobicContact CG2-CD1 3.95Å; I525-L529 HydrophobicContact CG2-CG 4.41Å; I525-L529 WeakPolarHBondContact O-CG 3.29Å; I525-L529 PolarHBondContact O-N 3.38Å
526	N	93.5	Very high	93.5	Very high	96 Å²	96	36.5 Å²	36.5	51%	0.513	20%	0.2	S	C	.	.	H	α-helix	trans	-60.8	-43	175.5	-174.4	51.2	0	0	0	110.7	A522 E523 L528 L529 T530	A522-N526 WeakPolarHBondContact O-CB 3.38Å; A522-N526 PolarHBondContact O-N 3.4Å; E523-N526 PolarHBondContact O-N 2.79Å; N526-L528 VanDerWaalsContact C-N 3.34Å; N526-L528 PolarHBondContact O-N 2.98Å; N526-L529 PolarHBondContact O-N 3.5Å; N526-T530 WeakPolarHBondContact O-CB 3.23Å; N526-T530 WeakPolarHBondContact O-CG2 3.35Å; N526-T530 PolarHBondContact O-N 3.37Å; N526-T530 PolarHBondContact O-OG1 3.16Å; N526-T530 WeakPolarHBondContact OD1-CG2 3.15Å
527	L	94	Very high	93.3	Very high	43 Å²	43	36.5 Å²	36.5	23%	0.225	20%	0.2	C	C	.	.	H	α-helix	trans	-63.9	-38.6	176.9	-168.8	58.8	0	0	0	112.2	E523 S524 I525 T531 F542	E523-L527 WeakPolarHBondContact O-CB 3.41Å; E523-L527 PolarHBondContact O-N 2.74Å; S524-L527 PolarHBondContact O-N 3.22Å; I525-L527 VanDerWaalsContact C-N 3.3Å; I525-L527 PolarHBondContact O-N 2.72Å; L527-T531 HydrophobicContact CD1-CG2 3.6Å; L527-T531 PolarHBondContact O-N 3.5Å; L527-T531 PolarHBondContact O-OG1 3.22Å; L527-F542 HydrophobicContact CB-CD2 4.45Å; L527-F542 HydrophobicContact CB-CE1 4.41Å; L527-F542 HydrophobicContact CB-CE2 4.13Å; L527-F542 HydrophobicContact CB-CZ 4.1Å; L527-F542 HydrophobicContact CD2-CB 3.69Å; L527-F542 HydrophobicContact CD2-CD1 4.04Å; L527-F542 HydrophobicContact CD2-CD2 3.24Å; L527-F542 HydrophobicContact CD2-CE1 4.46Å; L527-F542 HydrophobicContact CD2-CE2 3.74Å; L527-F542 HydrophobicContact CD2-CG 3.38Å; L527-F542 HydrophobicContact CD2-CZ 4.32Å; L527-F542 HydrophobicContact CG-CB 4.32Å; L527-F542 HydrophobicContact CG-CD1 3.85Å; L527-F542 HydrophobicContact CG-CD2 3.86Å; L527-F542 HydrophobicContact CG-CE1 4.02Å; L527-F542 HydrophobicContact CG-CE2 4.01Å; L527-F542 HydrophobicContact CG-CG 3.75Å; L527-F542 HydrophobicContact CG-CZ 4.08Å
528	L	95.2	Very high	93.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.2	-47.8	174.4	179.1	70.5	0	0	0	112	F477 A491 Y510 L519 S524 I525 N526 L535 F542 R580	F477-L528 HydrophobicContact CE1-CD1 4.27Å; F477-L528 HydrophobicContact CE1-CG 4.45Å; F477-L528 HydrophobicContact CE2-CD1 4.05Å; F477-L528 HydrophobicContact CE2-CG 4.41Å; F477-L528 HydrophobicContact CZ-CD1 3.67Å; F477-L528 HydrophobicContact CZ-CD2 4.26Å; F477-L528 HydrophobicContact CZ-CG 3.74Å; A491-L528 HydrophobicContact CB-CD2 3.65Å; Y510-L528 HydrophobicContact CD2-CD1 3.67Å; Y510-L528 HydrophobicContact CE2-CD1 3.83Å; L519-L528 HydrophobicContact CD2-CB 3.86Å; L519-L528 HydrophobicContact CD2-CD1 4.43Å; L519-L528 HydrophobicContact CD2-CD2 4Å; L519-L528 HydrophobicContact CD2-CG 4.31Å; S524-L528 WeakPolarHBondContact O-CB 3.37Å; S524-L528 PolarHBondContact O-N 2.67Å; I525-L528 WeakPolarHBondContact O-CB 3.48Å; I525-L528 PolarHBondContact O-N 3.27Å; N526-L528 VanDerWaalsContact C-N 3.34Å; N526-L528 PolarHBondContact O-N 2.98Å; L528-L535 HydrophobicContact CD1-CD2 4.44Å; L528-F542 HydrophobicContact CB-CE1 4.41Å; L528-F542 HydrophobicContact CB-CZ 4.04Å; L528-R580 PolarHBondContact O-NH2 3.47Å
529	L	94.9	Very high	93	Very high	10 Å²	10	48.7 Å²	48.7	5%	0.052	25%	0.252	C	S	.	.	H	α-helix	trans	-86.7	-32.5	-170.8	-63.7	178.8	0	0	0	114.2	L472 V475 I525 N526	L472-L529 HydrophobicContact CD2-CD1 4.03Å; L472-L529 HydrophobicContact CD2-CD2 3.91Å; V475-L529 HydrophobicContact CG2-CD2 4Å; I525-L529 HydrophobicContact CG2-CD1 3.95Å; I525-L529 HydrophobicContact CG2-CG 4.41Å; I525-L529 WeakPolarHBondContact O-CG 3.29Å; I525-L529 PolarHBondContact O-N 3.38Å; N526-L529 PolarHBondContact O-N 3.5Å
530	T	93.7	Very high	93	Very high	51 Å²	51	49 Å²	49	31%	0.313	25%	0.253	S	S	.	.	H	α-helix	trans	-100.8	-13.3	-171.5	65.3	0	0	0	0	114.3	N526	N526-T530 WeakPolarHBondContact O-CB 3.23Å; N526-T530 WeakPolarHBondContact O-CG2 3.35Å; N526-T530 PolarHBondContact O-N 3.37Å; N526-T530 PolarHBondContact O-OG1 3.16Å; N526-T530 WeakPolarHBondContact OD1-CG2 3.15Å
531	T	94.5	Very high	93.2	Very high	37 Å²	37	48.3 Å²	48.3	23%	0.227	25%	0.252	C	S	.	.			trans	-121	151.9	-178.3	82	0	0	0	0	112.3	L527 R533 R580	L527-T531 HydrophobicContact CD1-CG2 3.6Å; L527-T531 PolarHBondContact O-N 3.5Å; L527-T531 PolarHBondContact O-OG1 3.22Å; T531-R533 VanDerWaalsContact C-N 3.28Å; T531-R533 PolarHBondContact OG1-N 3.4Å; T531-R580 PolarHBondContact O-NH2 2.89Å; T531-R580 VanDerWaalsContact O-NH2 3.15Å
532	H	95.2	Very high	93.4	Very high	25 Å²	25	47.3 Å²	47.3	12%	0.116	25%	0.245	C	C	.	.			trans	-89.1	10.1	173.9	-62.8	164.1	0	0	0	113.6	L441 K442 P534 L545 P579 R580	L441-H532 PolarHBondContact O-CE1 3.07Å; L441-H532 PolarHBondContact O-ND1 2.72Å; K442-H532 PolarHBondContact O-CE1 2.75Å; H532-P534 WeakPolarHBondContact O-CD 3.34Å; H532-L545 HydrophobicContact CB-CD1 3.95Å; H532-P579 HydrophobicContact CB-CB 4.17Å; H532-P579 WeakPolarHBondContact O-CA 3.17Å; H532-R580 VanDerWaalsContact CA-O 3.24Å; H532-R580 WeakPolarHBondContact CA-O 3.4Å; H532-R580 PolarHBondContact O-N 2.82Å
533	R	93.9	Very high	93.4	Very high	84 Å²	84	45 Å²	45	32%	0.317	22%	0.221	S	C	.	.			trans	-61.3	123.1	-179.7	-76.6	-174.4	176.1	-166.5	-5.9	110.1	T531 F542 L543 H544 R580	T531-R533 VanDerWaalsContact C-N 3.28Å; T531-R533 PolarHBondContact OG1-N 3.4Å; R533-F542 HydrophobicContact CB-CB 4.47Å; R533-F542 HydrophobicContact CB-CD1 4.3Å; R533-L543 WeakPolarHBondContact CB-O 3.24Å; R533-L543 WeakPolarHBondContact CD-O 3.17Å; R533-L543 VanDerWaalsContact CG-O 3.25Å; R533-L543 WeakPolarHBondContact CG-O 3.41Å; R533-H544 PolarHBondContact NH2-NE2 2.91Å; R533-R580 PolarHBondContact O-NH1 2.86Å; R533-R580 PolarHBondContact O-NH2 2.94Å
534	P	91.9	Very high	93.2	Very high	9 Å²	9	44.2 Å²	44.2	6%	0.058	22%	0.217	C	C	.	.			trans	-58.2	147.2	175.2	13.3	-19.2	0	0	0	111	H532 F542 L543 H578	H532-P534 WeakPolarHBondContact O-CD 3.34Å; P534-F542 WeakPolarHBondContact O-CA 3.44Å; P534-L543 HydrophobicContact CG-CB 4.13Å; P534-L543 PolarHBondContact O-N 2.84Å; P534-H578 WeakPolarHBondContact CB-O 3.19Å; P534-H578 WeakPolarHBondContact CG-O 3.42Å
535	L	94.1	Very high	92.8	Very high	12 Å²	12	47.7 Å²	47.7	6%	0.063	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	112.9	176.5	175.9	55.7	0	0	0	108.1	V208 Y510 L519 L528 T537 F542 R580	V208-L535 HydrophobicContact CG1-CD1 4.23Å; Y510-L535 HydrophobicContact CD1-CD2 3.74Å; Y510-L535 HydrophobicContact CD1-CG 4.3Å; Y510-L535 HydrophobicContact CD2-CD2 3.98Å; Y510-L535 HydrophobicContact CE1-CB 4.27Å; Y510-L535 HydrophobicContact CE1-CD2 4.08Å; Y510-L535 HydrophobicContact CE1-CG 4.3Å; Y510-L535 HydrophobicContact CE2-CD2 4.33Å; Y510-L535 HydrophobicContact CG-CD2 3.67Å; L519-L535 HydrophobicContact CD1-CD2 4.39Å; L519-L535 HydrophobicContact CD2-CD2 4.48Å; L528-L535 HydrophobicContact CD1-CD2 4.44Å; L535-T537 PolarHBondContact O-N 2.97Å; L535-F542 HydrophobicContact CB-CD1 4.19Å; L535-F542 HydrophobicContact CB-CE1 4.1Å; L535-F542 HydrophobicContact CD1-CD1 4.25Å; L535-F542 HydrophobicContact CD1-CD2 4.04Å; L535-F542 HydrophobicContact CD1-CE1 4.26Å; L535-F542 HydrophobicContact CD1-CE2 4.09Å; L535-F542 HydrophobicContact CD1-CG 4.16Å; L535-F542 HydrophobicContact CD1-CZ 4.2Å; L535-F542 HydrophobicContact CD2-CE1 4.32Å; L535-F542 HydrophobicContact CD2-CZ 4.16Å; L535-F542 HydrophobicContact CG-CE1 4.49Å; L535-R580 VanDerWaalsContact CB-NH1 3.31Å
536	D	92.6	Very high	91.8	Very high	28 Å²	28	54.7 Å²	54.7	15%	0.15	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	108.7	174.2	-177.8	-6.2	0	0	0	109.2	R538 N539 C540 T541 L543	D536-R538 VanDerWaalsContact C-N 3.29Å; D536-R538 PolarHBondContact O-N 3.44Å; D536-R538 WeakPolarHBondContact OD1-CB 3.32Å; D536-R538 PolarHBondContact OD1-N 3.28Å; D536-N539 PolarHBondContact OD1-N 3.29Å; D536-N539 PolarHBondContact OD2-ND2 3.23Å; D536-C540 WeakPolarHBondContact O-CA 3.5Å; D536-C540 PolarHBondContact O-N 3.1Å; D536-T541 PolarHBondContact N-O 2.86Å; D536-T541 PolarHBondContact O-N 3.12Å; D536-L543 HydrophobicContact CB-CD1 3.9Å; D536-L543 HydrophobicContact CB-CD2 4.42Å; D536-L543 HydrophobicContact CB-CG 4.12Å
537	T	92.7	Very high	90	Very high	7 Å²	7	59.1 Å²	59.1	4%	0.043	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-20.2	179	54.2	0	0	0	0	113.5	Y510 D512 R515 L535	Y510-T537 HydrophobicContact CD1-CG2 3.62Å; Y510-T537 HydrophobicContact CE1-CG2 3.76Å; D512-T537 HydrophobicContact CB-CG2 3.47Å; D512-T537 VanDerWaalsContact CB-CG2 3.47Å; D512-T537 PolarHBondContact OD2-OG1 3.31Å; R515-T537 PolarHBondContact NH1-OG1 3.44Å; R515-T537 VanDerWaalsContact NH1-OG1 3.09Å; L535-T537 PolarHBondContact O-N 2.97Å
538	R	90.9	Very high	87.9	Confident	163 Å²	163	62.7 Å²	62.7	62%	0.615	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-47.9	176.4	-57.1	-174	-179.9	164.5	0.2	110.7	D536	D536-R538 VanDerWaalsContact C-N 3.29Å; D536-R538 PolarHBondContact O-N 3.44Å; D536-R538 WeakPolarHBondContact OD1-CB 3.32Å; D536-R538 PolarHBondContact OD1-N 3.28Å
539	N	92.7	Very high	85.1	Confident	113 Å²	113	70.3 Å²	70.3	60%	0.604	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-8.4	-177.7	-65.7	-51.6	0	0	0	113	D536 T541	D536-N539 PolarHBondContact OD1-N 3.29Å; D536-N539 PolarHBondContact OD2-ND2 3.23Å; N539-T541 VanDerWaalsContact C-N 3.34Å; N539-T541 PolarHBondContact O-N 2.71Å
540	C	93.8	Very high	82.1	Confident	5 Å²	5	76.1 Å²	76.1	3%	0.034	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	47.2	-176.2	-68	0	0	0	0	112.1	N206 V208 R209 P210 C517 D536	N206-C540 PolarHBondContact ND2-O 3.27Å; V208-C540 HydrophobicContact CB-CB 4.34Å; V208-C540 WeakPolarHBondContact CB-O 3.36Å; V208-C540 HydrophobicContact CG1-CB 3.78Å; R209-C540 VanDerWaalsContact C-SG 3.55Å; P210-C540 VanDerWaalsContact CA-SG 3.51Å; P210-C540 VanDerWaalsContact CD-SG 3.57Å; C517-C540 VanDerWaalsContact CB-SG 3.59Å; D536-C540 WeakPolarHBondContact O-CA 3.5Å; D536-C540 PolarHBondContact O-N 3.1Å
541	T	93.3	Very high	79.1	Confident	47 Å²	47	82.6 Å²	82.6	29%	0.288	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	139.1	-175.9	52	0	0	0	0	111.8	D536 N539	D536-T541 PolarHBondContact N-O 2.86Å; D536-T541 PolarHBondContact O-N 3.12Å; N539-T541 VanDerWaalsContact C-N 3.34Å; N539-T541 PolarHBondContact O-N 2.71Å
542	F	93.5	Very high	75.8	Confident	23 Å²	23	89.7 Å²	89.7	10%	0.101	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	128.5	166.6	-71.4	-89.1	0	0	0	110.4	V208 L519 L527 L528 R533 P534 L535 R580	V208-F542 HydrophobicContact CG2-CD2 4.17Å; V208-F542 HydrophobicContact CG2-CE2 3.69Å; L519-F542 HydrophobicContact CD2-CE2 4.27Å; L519-F542 HydrophobicContact CD2-CZ 3.92Å; L527-F542 HydrophobicContact CB-CD2 4.45Å; L527-F542 HydrophobicContact CB-CE1 4.41Å; L527-F542 HydrophobicContact CB-CE2 4.13Å; L527-F542 HydrophobicContact CB-CZ 4.1Å; L527-F542 HydrophobicContact CD2-CB 3.69Å; L527-F542 HydrophobicContact CD2-CD1 4.04Å; L527-F542 HydrophobicContact CD2-CD2 3.24Å; L527-F542 HydrophobicContact CD2-CE1 4.46Å; L527-F542 HydrophobicContact CD2-CE2 3.74Å; L527-F542 HydrophobicContact CD2-CG 3.38Å; L527-F542 HydrophobicContact CD2-CZ 4.32Å; L527-F542 HydrophobicContact CG-CB 4.32Å; L527-F542 HydrophobicContact CG-CD1 3.85Å; L527-F542 HydrophobicContact CG-CD2 3.86Å; L527-F542 HydrophobicContact CG-CE1 4.02Å; L527-F542 HydrophobicContact CG-CE2 4.01Å; L527-F542 HydrophobicContact CG-CG 3.75Å; L527-F542 HydrophobicContact CG-CZ 4.08Å; L528-F542 HydrophobicContact CB-CE1 4.41Å; L528-F542 HydrophobicContact CB-CZ 4.04Å; R533-F542 HydrophobicContact CB-CB 4.47Å; R533-F542 HydrophobicContact CB-CD1 4.3Å; P534-F542 WeakPolarHBondContact O-CA 3.44Å; L535-F542 HydrophobicContact CB-CD1 4.19Å; L535-F542 HydrophobicContact CB-CE1 4.1Å; L535-F542 HydrophobicContact CD1-CD1 4.25Å; L535-F542 HydrophobicContact CD1-CD2 4.04Å; L535-F542 HydrophobicContact CD1-CE1 4.26Å; L535-F542 HydrophobicContact CD1-CE2 4.09Å; L535-F542 HydrophobicContact CD1-CG 4.16Å; L535-F542 HydrophobicContact CD1-CZ 4.2Å; L535-F542 HydrophobicContact CD2-CE1 4.32Å; L535-F542 HydrophobicContact CD2-CZ 4.16Å; L535-F542 HydrophobicContact CG-CE1 4.49Å; F542-R580 VanDerWaalsContact CE1-NH1 3.35Å
543	L	91.7	Very high	72.8	Confident	36 Å²	36	93.5 Å²	93.5	19%	0.188	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-93.8	158.7	-178.5	-58.8	174.5	0	0	0	111	R533 P534 D536 I576	R533-L543 WeakPolarHBondContact CB-O 3.24Å; R533-L543 WeakPolarHBondContact CD-O 3.17Å; R533-L543 VanDerWaalsContact CG-O 3.25Å; R533-L543 WeakPolarHBondContact CG-O 3.41Å; P534-L543 HydrophobicContact CG-CB 4.13Å; P534-L543 PolarHBondContact O-N 2.84Å; D536-L543 HydrophobicContact CB-CD1 3.9Å; D536-L543 HydrophobicContact CB-CD2 4.42Å; D536-L543 HydrophobicContact CB-CG 4.12Å; L543-I576 HydrophobicContact CD1-CB 4.48Å; L543-I576 HydrophobicContact CD1-CG2 3.25Å; L543-I576 WeakPolarHBondContact CD1-O 3.34Å
544	H	87.8	Confident	69.5	Low	126 Å²	126	97 Å²	97	58%	0.583	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-83.2	136.4	177.5	-72.2	62.7	0	0	0	110	R533 K546	R533-H544 PolarHBondContact NH2-NE2 2.91Å; H544-K546 PolarHBondContact O-N 2.98Å
545	L	83.8	Confident	66.6	Low	74 Å²	74	102.2 Å²	102.2	39%	0.387	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-69	122.2	168.8	-70.4	167.1	0	0	0	108.5	H532 K547 P579	H532-L545 HydrophobicContact CB-CD1 3.95Å; L545-K547 PolarHBondContact O-N 2.88Å; L545-P579 HydrophobicContact CD2-CB 4.04Å
546	K	73.6	Confident	63.4	Low	159 Å²	159	110.1 Å²	110.1	69%	0.691	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-66.3	133	166.9	-75.6	-174.3	176.5	-178.1	0	107.9	H544 N577	H544-K546 PolarHBondContact O-N 2.98Å; K546-N577 HydrophobicContact CD-CB 4.49Å; K546-N577 HydrophobicContact CG-CB 4.31Å
547	K	55.6	Low	60.4	Low	190 Å²	190	116.8 Å²	116.8	83%	0.826	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-57.7	140.8	168.8	-77.3	-177.4	177.6	179.5	0	108.1	L545 Q549	L545-K547 PolarHBondContact O-N 2.88Å; K547-Q549 PolarHBondContact O-N 3.46Å; K547-Q549 VanDerWaalsContact O-N 3.09Å
548	P	50.6	Low	57.4	Low	117 Å²	117	123.2 Å²	123.2	76%	0.76	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-53.4	121.9	169.5	-18.5	28.8	0	0	0	107.7	T550	P548-T550 PolarHBondContact O-N 3.05Å
549	Q	37.2	Very low	54.5	Low	161 Å²	161	121.1 Å²	121.1	75%	0.752	63%	0.631	S	S	*	*			trans	-62.9	112.1	167.5	-75.2	-179.8	-13.1	0	0	105.9	K547 F551	K547-Q549 PolarHBondContact O-N 3.46Å; K547-Q549 VanDerWaalsContact O-N 3.09Å; Q549-F551 VanDerWaalsContact C-N 3.3Å; Q549-F551 PolarHBondContact O-N 2.99Å
550	T	30.4	Very low	51.4	Low	132 Å²	132	122.2 Å²	122.2	81%	0.81	64%	0.642	S	S	*	*			trans	-60.5	98.9	165.6	39.4	0	0	0	0	106.8	P548 Q552	P548-T550 PolarHBondContact O-N 3.05Å; T550-Q552 PolarHBondContact O-N 3.33Å
551	F	30.4	Very low	48.2	Very low	186 Å²	186	127 Å²	127	82%	0.816	68%	0.676	S	S	*	*			trans	-61.9	103.1	166.4	-82.7	-87.1	0	0	0	107.2	Q549 S553	Q549-F551 VanDerWaalsContact C-N 3.3Å; Q549-F551 PolarHBondContact O-N 2.99Å; F551-S553 PolarHBondContact O-N 3.47Å; F551-S553 VanDerWaalsContact O-N 3.14Å
552	Q	27.2	Very low	45.2	Very low	186 Å²	186	131.1 Å²	131.1	87%	0.869	70%	0.704	S	S	*	*			trans	-63.2	107.2	154.3	-81	179.1	-22.2	0	0	105.9	T550 N554	T550-Q552 PolarHBondContact O-N 3.33Å; Q552-N554 PolarHBondContact O-N 3.38Å
553	S	30.6	Very low	42.2	Very low	106 Å²	106	135.5 Å²	135.5	74%	0.741	74%	0.737	S	S	*	*			trans	-63.9	101.9	172.1	51.7	0	0	0	0	109.1	F551	F551-S553 PolarHBondContact O-N 3.47Å; F551-S553 VanDerWaalsContact O-N 3.14Å
554	N	25.9	Very low	39.2	Very low	157 Å²	157	139 Å²	139	84%	0.84	76%	0.764	S	S	*	*			trans	-85.8	120.2	151.6	-101.1	1	0	0	0	107.1	Q552 E556	Q552-N554 PolarHBondContact O-N 3.38Å; N554-E556 PolarHBondContact O-N 3.42Å
555	P	30	Very low	36.3	Very low	118 Å²	118	138.1 Å²	138.1	77%	0.766	77%	0.773	S	S	*	*			trans	-93.2	67.1	-175.1	37.4	-32.5	0	0	0	110.4
556	E	27.2	Very low	33.5	Very low	179 Å²	179	142.5 Å²	142.5	84%	0.836	80%	0.796	S	S	*	*			trans	-142.1	126.2	167.8	-70.4	-167	159.8	0	0	111.9	N554	N554-E556 PolarHBondContact O-N 3.42Å
557	H	28.9	Very low	31.4	Very low	168 Å²	168	142.9 Å²	142.9	78%	0.778	80%	0.801	S	S	*	*			trans	69.4	93.5	167.7	-98.4	-83.5	0	0	0	119.3
558	V	30.9	Very low	30	Very low	142 Å²	142	143.2 Å²	143.2	86%	0.861	80%	0.804	S	S	*	*			trans	-129.7	101.8	146.3	-178.7	0	0	0	0	109
559	T	29.1	Very low	29.1	Very low	118 Å²	118	145.9 Å²	145.9	72%	0.724	81%	0.806	S	S	*	*			trans	-70.8	122.4	166.8	1.6	0	0	0	0	108.9
560	T	27.9	Very low	28.6	Very low	136 Å²	136	141 Å²	141	83%	0.834	80%	0.8	S	S	*	*			trans	-81.5	118.3	173.1	46.8	0	0	0	0	110.5
561	S	26.1	Very low	28.8	Very low	105 Å²	105	138.8 Å²	138.8	73%	0.734	79%	0.794	S	S	*	*			trans	-121.8	127.7	161.2	50.7	0	0	0	0	109.4
562	P	30.2	Very low	29.3	Very low	135 Å²	135	134.4 Å²	134.4	88%	0.877	78%	0.779	S	S	*	*			trans	-84.7	124.2	178.4	33.3	-28.2	0	0	0	108.8
563	S	31.8	Very low	29.8	Very low	114 Å²	114	132.2 Å²	132.2	80%	0.797	77%	0.774	S	S	*	*			trans	-124	123.7	167.7	54.8	0	0	0	0	110.6
564	S	27.3	Very low	30.7	Very low	110 Å²	110	129.1 Å²	129.1	77%	0.769	75%	0.75	S	S	*	*			trans	-64.6	146.8	164.2	44.6	0	0	0	0	110.8
565	S	28.2	Very low	32	Very low	108 Å²	108	124.8 Å²	124.8	76%	0.755	73%	0.732	S	S	*	*				169.3	137.4	124.6	46.3	0	0	0	0	113.1	Q567	S565-Q567 PolarHBondContact O-N 3.33Å
566	N	25.4	Very low	33.3	Very low	165 Å²	165	124.4 Å²	124.4	88%	0.882	72%	0.722	S	S	*	*			trans	-36.6	122	163.8	-66.9	-35.9	0	0	0	113.8
567	Q	29.2	Very low	35.6	Very low	168 Å²	168	118 Å²	118	79%	0.785	69%	0.694	S	S	*	*			trans	-140.4	135.4	155.9	-74.4	-168.8	-9.3	0	0	111.4	S565 H569	S565-Q567 PolarHBondContact O-N 3.33Å; Q567-H569 PolarHBondContact O-N 2.82Å
568	H	25.4	Very low	38.5	Very low	196 Å²	196	112.4 Å²	112.4	91%	0.907	67%	0.668	S	S	*	*			trans	-46.1	116.4	179.8	-76.3	-98.9	0	0	0	113.2	G570	H568-G570 VanDerWaalsContact C-N 3.27Å; H568-G570 PolarHBondContact O-N 2.77Å
569	H	31.5	Very low	41.5	Very low	173 Å²	173	106 Å²	106	80%	0.801	63%	0.63	S	S	*	*			trans	-75	77.6	172.3	-75.2	-68.7	0	0	0	111.2	Q567	Q567-H569 PolarHBondContact O-N 2.82Å
570	G	26.6	Very low	44.6	Very low	59 Å²	59	100.4 Å²	100.4	61%	0.608	60%	0.595	S	S	*	*			trans	-70.9	147.6	149.8	0	0	0	0	0	109.4	H568 L572	H568-G570 VanDerWaalsContact C-N 3.27Å; H568-G570 PolarHBondContact O-N 2.77Å; G570-L572 PolarHBondContact O-N 3.45Å
571	A	34.8	Very low	47.9	Very low	85 Å²	85	94 Å²	94	70%	0.702	56%	0.555	S	S	*	*	S	Bend	trans	-21.9	113	-175.9	0	0	0	0	0	113.5	N573	A571-N573 PolarHBondContact O-N 3.33Å
572	L	40.5	Very low	51.3	Low	95 Å²	95	89 Å²	89	50%	0.497	52%	0.521	S	S	.	.			trans	-49.5	111	174.3	-76	167.2	0	0	0	108	N89 G570 V574	N89-L572 WeakPolarHBondContact OD1-CD1 3.37Å; G570-L572 PolarHBondContact O-N 3.45Å; L572-V574 PolarHBondContact O-N 3.44Å
573	N	37.7	Very low	54.5	Low	140 Å²	140	82.7 Å²	82.7	75%	0.749	48%	0.48	S	S	*	.			trans	-63.4	82.4	166.1	-87.1	-29	0	0	0	106.9	A571 S575	A571-N573 PolarHBondContact O-N 3.33Å; N573-S575 PolarHBondContact O-N 3.36Å
574	V	51	Low	57.7	Low	41 Å²	41	77.3 Å²	77.3	25%	0.248	44%	0.442	C	S	.	.			trans	-50.9	113.3	161	176.2	0	0	0	0	104.3	V479 H487 L572 I576 H578	V479-V574 HydrophobicContact CG1-CG1 3.83Å; H487-V574 HydrophobicContact CB-CG1 4.42Å; H487-V574 HydrophobicContact CB-CG2 3.56Å; L572-V574 PolarHBondContact O-N 3.44Å; V574-I576 PolarHBondContact O-N 3.35Å; V574-I576 VanDerWaalsContact O-N 3.12Å; V574-H578 HydrophobicContact CG1-CB 4.29Å
575	S	51.6	Low	61.1	Low	66 Å²	66	72 Å²	72	46%	0.462	41%	0.405	S	S	.	.			trans	-46.5	127.3	-176.1	-173	0	0	0	0	108.5	N573 N577 H578	N573-S575 PolarHBondContact O-N 3.36Å; S575-N577 PolarHBondContact O-N 3.12Å; S575-H578 VanDerWaalsContact CB-CD2 3.48Å; S575-H578 WeakPolarHBondContact CB-CD2 3.48Å; S575-H578 WeakPolarHBondContact CB-NE2 3.49Å; S575-H578 PolarHBondContact N-CD2 2.74Å; S575-H578 VanDerWaalsContact N-CD2 3.32Å; S575-H578 PolarHBondContact O-CD2 3.18Å; S575-H578 PolarHBondContact O-N 2.72Å
576	I	58.7	Low	64.4	Low	109 Å²	109	67 Å²	67	56%	0.559	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-6.7	-169.3	-68.5	168.6	0	0	0	113	L543 V574	L543-I576 HydrophobicContact CD1-CB 4.48Å; L543-I576 HydrophobicContact CD1-CG2 3.25Å; L543-I576 WeakPolarHBondContact CD1-O 3.34Å; V574-I576 PolarHBondContact O-N 3.35Å; V574-I576 VanDerWaalsContact O-N 3.12Å
577	N	75.5	Confident	67.8	Low	45 Å²	45	59.1 Å²	59.1	24%	0.241	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	14.7	-175.5	-55.4	-52.8	0	0	0	115	K546 S575	K546-N577 HydrophobicContact CD-CB 4.49Å; K546-N577 HydrophobicContact CG-CB 4.31Å; S575-N577 PolarHBondContact O-N 3.12Å
578	H	88.8	Confident	71	Confident	51 Å²	51	53.1 Å²	53.1	24%	0.236	30%	0.299	C	S	.	.			trans	-75.5	146.8	178.2	-75	-56.2	0	0	0	113.5	V479 P534 V574 S575 R580	V479-H578 HydrophobicContact CG1-CB 3.98Å; P534-H578 WeakPolarHBondContact CB-O 3.19Å; P534-H578 WeakPolarHBondContact CG-O 3.42Å; V574-H578 HydrophobicContact CG1-CB 4.29Å; S575-H578 VanDerWaalsContact CB-CD2 3.48Å; S575-H578 WeakPolarHBondContact CB-CD2 3.48Å; S575-H578 WeakPolarHBondContact CB-NE2 3.49Å; S575-H578 PolarHBondContact N-CD2 2.74Å; S575-H578 VanDerWaalsContact N-CD2 3.32Å; S575-H578 PolarHBondContact O-CD2 3.18Å; S575-H578 PolarHBondContact O-N 2.72Å; H578-R580 PolarHBondContact O-N 3.32Å
579	P	93.8	Very high	74.2	Confident	8 Å²	8	44.6 Å²	44.6	5%	0.052	26%	0.262	C	S	.	.			trans	-68	127.4	-178.7	27.5	-33.9	0	0	0	112.5	L441 V479 G480 E481 H532 L545	L441-P579 HydrophobicContact CD1-CG 4.11Å; L441-P579 HydrophobicContact CD2-CB 4Å; L441-P579 HydrophobicContact CD2-CG 3.7Å; V479-P579 WeakPolarHBondContact CA-O 3.41Å; G480-P579 PolarHBondContact N-O 3.29Å; E481-P579 HydrophobicContact CG-CG 3.8Å; H532-P579 HydrophobicContact CB-CB 4.17Å; H532-P579 WeakPolarHBondContact O-CA 3.17Å; L545-P579 HydrophobicContact CD2-CB 4.04Å
580	R	94.9	Very high	76.9	Confident	0 Å²	0	41 Å²	41	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	108.5	170.3	-177.4	-164.7	70	-112.8	-15.2	109.3	F477 V479 Y510 L528 T531 H532 R533 L535 F542 H578	F477-R580 HydrophobicContact CB-CG 3.52Å; F477-R580 HydrophobicContact CD1-CG 3.61Å; F477-R580 HydrophobicContact CG-CG 3.73Å; V479-R580 HydrophobicContact CG2-CB 4.02Å; V479-R580 HydrophobicContact CG2-CG 3.92Å; Y510-R580 WeakPolarHBondContact OH-CD 3.36Å; L528-R580 PolarHBondContact O-NH2 3.47Å; T531-R580 PolarHBondContact O-NH2 2.89Å; T531-R580 VanDerWaalsContact O-NH2 3.15Å; H532-R580 VanDerWaalsContact CA-O 3.24Å; H532-R580 WeakPolarHBondContact CA-O 3.4Å; H532-R580 PolarHBondContact O-N 2.82Å; R533-R580 PolarHBondContact O-NH1 2.86Å; R533-R580 PolarHBondContact O-NH2 2.94Å; L535-R580 VanDerWaalsContact CB-NH1 3.31Å; F542-R580 VanDerWaalsContact CE1-NH1 3.35Å; H578-R580 PolarHBondContact O-N 3.32Å
581	T	96.3	Very high	79.3	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	132	179.3	64.1	0	0	0	0	111.2	R405 K439 L441 F477 H478 Y583	R405-T581 VanDerWaalsContact CD-OG1 3.27Å; R405-T581 WeakPolarHBondContact CD-OG1 3.48Å; R405-T581 PolarHBondContact NE-OG1 3.29Å; K439-T581 WeakPolarHBondContact CE-OG1 3.48Å; K439-T581 PolarHBondContact NZ-OG1 3.4Å; L441-T581 HydrophobicContact CD2-CG2 3.79Å; F477-T581 WeakPolarHBondContact CA-O 3.48Å; H478-T581 PolarHBondContact N-O 2.94Å; H478-T581 PolarHBondContact O-N 3.48Å; H478-T581 PolarHBondContact O-OG1 3.22Å; T581-Y583 PolarHBondContact O-N 2.83Å
582	P	97.8	Very high	80.6	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.013	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	128.9	171.8	-20.7	28	0	0	0	110.6	L403 R405 I446 V475 F477 L585	L403-P582 HydrophobicContact CD1-CB 4.5Å; R405-P582 PolarHBondContact NE-O 2.88Å; R405-P582 PolarHBondContact NH2-O 3.26Å; I446-P582 HydrophobicContact CD1-CB 3.26Å; I446-P582 HydrophobicContact CD1-CG 3.38Å; V475-P582 HydrophobicContact CG1-CB 3.84Å; F477-P582 HydrophobicContact CD1-CB 4.19Å; F477-P582 HydrophobicContact CD1-CG 4.01Å; F477-P582 HydrophobicContact CE1-CB 4.15Å; F477-P582 HydrophobicContact CE1-CG 3.77Å; P582-L585 HydrophobicContact CB-CD2 4.25Å
583	Y	97.6	Very high	81.2	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.008	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	-52.1	-171.6	-177.4	-128.4	0	0	0	112.7	D236 A237 A238 Q402 L403 R405 F406 I476 Y488 T581	D236-Y583 WeakPolarHBondContact OD1-CE1 3.44Å; D236-Y583 VanDerWaalsContact OD1-CZ 3.22Å; D236-Y583 PolarHBondContact OD1-OH 3.13Å; D236-Y583 PolarHBondContact OD2-OH 3.48Å; A237-Y583 HydrophobicContact CB-CE1 4.42Å; A238-Y583 HydrophobicContact CB-CE1 3.9Å; Q402-Y583 HydrophobicContact CG-CE2 4Å; Q402-Y583 PolarHBondContact NE2-OH 3.3Å; L403-Y583 PolarHBondContact N-O 2.98Å; R405-Y583 HydrophobicContact CG-CD2 4.4Å; F406-Y583 AromaticContact CD2-CE2 3.87Å; F406-Y583 HydrophobicContact CD2-CE2 3.87Å; F406-Y583 HydrophobicContact CE2-CD2 4.22Å; F406-Y583 AromaticContact CE2-CE2 3.7Å; F406-Y583 HydrophobicContact CE2-CE2 3.7Å; F406-Y583 AromaticContact CE2-CZ 3.91Å; I476-Y583 WeakPolarHBondContact O-CA 3.48Å; I476-Y583 WeakPolarHBondContact O-CB 3.44Å; I476-Y583 PolarHBondContact O-N 3.22Å; Y488-Y583 HydrophobicContact CD1-CD1 4.48Å; Y488-Y583 AromaticContact CE1-CD1 3.71Å; Y488-Y583 HydrophobicContact CE1-CD1 3.71Å; Y488-Y583 AromaticContact CE1-CE1 3.92Å; Y488-Y583 HydrophobicContact CE1-CE1 3.92Å; T581-Y583 PolarHBondContact O-N 2.83Å
584	I	98.6	Very high	81.5	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	134.8	175.3	-54.5	164.5	0	0	0	108.1	L99 A237 A238 L241 I400 I401 Q402 V475 I476	L99-I584 HydrophobicContact CD1-CG2 4.47Å; A237-I584 HydrophobicContact CB-CD1 4.19Å; A238-I584 HydrophobicContact CB-CD1 3.96Å; A238-I584 HydrophobicContact CB-CG1 4.4Å; L241-I584 HydrophobicContact CD2-CD1 4.42Å; L241-I584 HydrophobicContact CD2-CG2 4.22Å; I400-I584 HydrophobicContact CG2-CG2 3.48Å; I400-I584 VanDerWaalsContact CG2-CG2 3.48Å; I401-I584 CarbonylContact O-C 3.57Å; I401-I584 WeakPolarHBondContact O-CA 3.05Å; Q402-I584 HydrophobicContact CG-CG1 4.41Å; V475-I584 CarbonylContact C-O 3.5Å; V475-I584 WeakPolarHBondContact CA-O 3.09Å; I476-I584 HydrophobicContact CB-CB 4.1Å; I476-I584 HydrophobicContact CD1-CB 4.38Å; I476-I584 HydrophobicContact CD1-CD1 4.03Å; I476-I584 PolarHBondContact N-O 3.4Å; I476-I584 PolarHBondContact O-N 3.35Å; I476-I584 VanDerWaalsContact O-N 3.15Å
585	L	98.7	Very high	80.8	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	130	-179.9	-45.8	177.6	0	0	0	108.5	V360 I400 I401 L403 I446 L472 V475 P582 Y587	V360-L585 HydrophobicContact CG1-CD1 4.45Å; V360-L585 HydrophobicContact CG2-CD1 3.49Å; V360-L585 VanDerWaalsContact CG2-CD1 3.49Å; I400-L585 WeakPolarHBondContact CA-O 3.27Å; I401-L585 HydrophobicContact CB-CB 4.36Å; I401-L585 PolarHBondContact N-O 3.3Å; I401-L585 PolarHBondContact O-N 3.16Å; L403-L585 HydrophobicContact CD2-CD1 4.35Å; L403-L585 HydrophobicContact CG-CD1 4.48Å; I446-L585 HydrophobicContact CD1-CD1 4.39Å; I446-L585 HydrophobicContact CD1-CD2 3.7Å; I446-L585 HydrophobicContact CG1-CD1 4.06Å; I446-L585 HydrophobicContact CG1-CD2 4.23Å; I446-L585 HydrophobicContact CG2-CD1 4.29Å; I446-L585 HydrophobicContact CG2-CD2 4.3Å; L472-L585 HydrophobicContact CD1-CB 4.25Å; V475-L585 HydrophobicContact CB-CD2 4.46Å; V475-L585 HydrophobicContact CG1-CD2 3.86Å; V475-L585 HydrophobicContact CG2-CD2 4.02Å; P582-L585 HydrophobicContact CB-CD2 4.25Å; L585-Y587 HydrophobicContact CB-CD2 4.12Å; L585-Y587 HydrophobicContact CB-CE2 3.76Å; L585-Y587 HydrophobicContact CD1-CE2 3.99Å
586	L	98.3	Very high	79.9	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	122.4	170.1	177.4	70.9	0	0	0	108.8	L99 I103 Y398 I400 Q473 A474	L99-L586 HydrophobicContact CD1-CB 4.26Å; L99-L586 HydrophobicContact CD2-CD1 4.48Å; L99-L586 HydrophobicContact CD2-CD2 4.22Å; L99-L586 HydrophobicContact CG-CB 4.49Å; L99-L586 HydrophobicContact CG-CD2 4.21Å; I103-L586 HydrophobicContact CD1-CD1 4.18Å; I103-L586 HydrophobicContact CD1-CD2 3.71Å; I103-L586 HydrophobicContact CG1-CD2 3.81Å; Y398-L586 HydrophobicContact CD1-CD1 4.13Å; I400-L586 HydrophobicContact CG1-CD1 3.83Å; Q473-L586 HydrophobicContact CB-CD2 4.13Å; Q473-L586 HydrophobicContact CB-CG 4.22Å; Q473-L586 HydrophobicContact CG-CD2 4.03Å; Q473-L586 PolarHBondContact N-O 2.88Å; A474-L586 HydrophobicContact CB-CB 3.99Å; A474-L586 HydrophobicContact CB-CD2 4.07Å; A474-L586 PolarHBondContact N-O 3.32Å; A474-L586 PolarHBondContact O-N 3.05Å
587	Y	97.3	Very high	78.7	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133.4	175.8	-81.2	-82.1	0	0	0	110	Y398 L399 I401 Q447 L450 R471 L472 L585	Y398-Y587 CarbonylContact C-O 3.58Å; Y398-Y587 WeakPolarHBondContact CA-O 3.45Å; L399-Y587 PolarHBondContact N-O 3.15Å; L399-Y587 PolarHBondContact O-N 3.35Å; I401-Y587 HydrophobicContact CD1-CD2 4.08Å; I401-Y587 HydrophobicContact CD1-CE2 4.17Å; Q447-Y587 WeakPolarHBondContact O-CE1 3.33Å; Q447-Y587 PolarHBondContact O-OH 3.4Å; Q447-Y587 VanDerWaalsContact O-OH 3.1Å; L450-Y587 HydrophobicContact CB-CD1 3.82Å; L450-Y587 HydrophobicContact CB-CE1 3.47Å; L450-Y587 VanDerWaalsContact CB-CE1 3.47Å; L450-Y587 HydrophobicContact CD2-CD1 4.26Å; L450-Y587 HydrophobicContact CD2-CD2 4.12Å; L450-Y587 HydrophobicContact CD2-CE1 4.15Å; L450-Y587 HydrophobicContact CD2-CE2 4Å; L450-Y587 HydrophobicContact CD2-CG 4.24Å; L450-Y587 HydrophobicContact CG-CE1 4.44Å; R471-Y587 CarbonylContact O-C 3.57Å; R471-Y587 WeakPolarHBondContact O-CA 3.46Å; L472-Y587 HydrophobicContact CB-CD1 4.16Å; L472-Y587 HydrophobicContact CB-CE1 3.76Å; L472-Y587 HydrophobicContact CD1-CD1 4.31Å; L472-Y587 HydrophobicContact CD1-CD2 4.28Å; L472-Y587 HydrophobicContact CD1-CE1 3.88Å; L472-Y587 HydrophobicContact CD1-CE2 3.86Å; L472-Y587 HydrophobicContact CD1-CG 4.49Å; L472-Y587 HydrophobicContact CG-CE1 4.45Å; L585-Y587 HydrophobicContact CB-CD2 4.12Å; L585-Y587 HydrophobicContact CB-CE2 3.76Å; L585-Y587 HydrophobicContact CD1-CE2 3.99Å
588	E	95	Very high	78.9	Confident	42 Å²	42	44.2 Å²	44.2	20%	0.196	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	132.6	176.8	178.6	-167.5	-158.4	0	0	109.8	Y398 Y470 R471 Q473	Y398-E588 HydrophobicContact CD1-CB 4.15Å; Y398-E588 HydrophobicContact CD1-CG 4.33Å; Y398-E588 HydrophobicContact CE1-CB 3.93Å; Y398-E588 HydrophobicContact CE1-CG 3.73Å; Y470-E588 CarbonylContact C-O 3.6Å; Y470-E588 VanDerWaalsContact CA-O 3.24Å; Y470-E588 WeakPolarHBondContact CA-O 3.44Å; Y470-E588 VanDerWaalsContact CD1-C 3.49Å; R471-E588 IonicContact CZ-OE2 2.72Å; R471-E588 PolarHBondContact N-O 3.4Å; R471-E588 IonicContact NE-OE2 2.78Å; R471-E588 IonicContact NH2-OE2 3.69Å; R471-E588 PolarHBondContact NH2-OE2 2.93Å; R471-E588 PolarHBondContact O-N 2.98Å; Q473-E588 HydrophobicContact CB-CB 4.21Å
589	S	93.6	Very high	78.3	Confident	17 Å²	17	43.8 Å²	43.8	12%	0.119	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	137.3	174.8	168.9	0	0	0	0	111.2	P397 I591	P397-S589 WeakPolarHBondContact O-CB 3.41Å; P397-S589 PolarHBondContact O-N 3.3Å; S589-I591 VanDerWaalsContact C-N 3.31Å; S589-I591 WeakPolarHBondContact CB-O 3.46Å; S589-I591 PolarHBondContact OG-N 3.37Å; S589-I591 PolarHBondContact OG-O 3.49Å
590	Q	87.8	Confident	77.5	Confident	97 Å²	97	45.8 Å²	45.8	45%	0.453	26%	0.261	S	S	.	.	S	Bend	trans	-79.8	-13.7	176.9	-62.5	-154.1	-59.7	0	0	113.7	N469 R471	N469-Q590 HydrophobicContact CB-CB 4.09Å; N469-Q590 HydrophobicContact CB-CG 4.06Å; N469-Q590 PolarHBondContact O-N 2.79Å; R471-Q590 HydrophobicContact CB-CG 4.45Å
591	I	78.1	Confident	76.4	Confident	54 Å²	54	48.5 Å²	48.5	28%	0.277	28%	0.276	S	S	.	.	S	Bend	trans	-85.6	111.9	157.3	-51.3	178.2	0	0	0	104.1	S466 Q467 S589	S466-I591 VanDerWaalsContact C-CD1 3.41Å; S466-I591 VanDerWaalsContact CB-CD1 3.48Å; S466-I591 VanDerWaalsContact CB-CG1 3.48Å; Q467-I591 HydrophobicContact CB-CD1 4.08Å; Q467-I591 HydrophobicContact CG-CD1 3.41Å; Q467-I591 VanDerWaalsContact CG-CD1 3.41Å; Q467-I591 VanDerWaalsContact N-CD1 3.26Å; S589-I591 VanDerWaalsContact C-N 3.31Å; S589-I591 WeakPolarHBondContact CB-O 3.46Å; S589-I591 PolarHBondContact OG-N 3.37Å; S589-I591 PolarHBondContact OG-O 3.49Å
592	G	60.3	Low	75.2	Confident	53 Å²	53	51.5 Å²	51.5	55%	0.546	29%	0.294	S	S	.	.			trans	-53.2	168.3	173.2	0	0	0	0	0	111.6	H594	G592-H594 PolarHBondContact O-N 2.85Å
593	I	54.7	Low	73.7	Confident	76 Å²	76	54.8 Å²	54.8	39%	0.39	31%	0.312	S	S	.	.			trans	-59.5	109.2	178.8	-53.9	171.8	0	0	0	108.2	T105 L306 P397 Y398	T105-I593 HydrophobicContact CG2-CD1 3.4Å; T105-I593 HydrophobicContact CG2-CG1 4.39Å; L306-I593 HydrophobicContact CD2-CD1 3.31Å; L306-I593 HydrophobicContact CD2-CG1 4.34Å; P397-I593 HydrophobicContact CB-CG1 4.1Å; Y398-I593 HydrophobicContact CE2-CD1 4.27Å
594	H	42.3	Very low	72	Confident	115 Å²	115	58.6 Å²	58.6	53%	0.532	33%	0.334	S	S	.	.			trans	-84.7	137.2	172.8	-138.8	-83.8	0	0	0	107.5	G592 D596 T597	G592-H594 PolarHBondContact O-N 2.85Å; H594-D596 IonicContact ND1-OD2 2.7Å; H594-D596 PolarHBondContact O-N 3.06Å; H594-T597 PolarHBondContact O-N 3.04Å; H594-T597 PolarHBondContact O-OG1 3.44Å
595	P	37.4	Very low	69.9	Low	96 Å²	96	63.1 Å²	63.1	62%	0.623	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-2.7	-176.3	23.2	-33.3	0	0	0	115.7
596	D	32.6	Very low	67.5	Low	145 Å²	145	68.3 Å²	68.3	78%	0.775	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	11.8	-176.7	-62.2	-38	0	0	0	114.1	H594	H594-D596 IonicContact ND1-OD2 2.7Å; H594-D596 PolarHBondContact O-N 3.06Å
597	T	33.2	Very low	64.8	Low	124 Å²	124	74.5 Å²	74.5	76%	0.761	43%	0.425	S	S	*	.			trans	-109	0	166	39.6	0	0	0	0	109.8	H594	H594-T597 PolarHBondContact O-N 3.04Å; H594-T597 PolarHBondContact O-OG1 3.44Å

Retrieved 597 of 597 residues in 843.1 ms (Link to these results)

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