A0A3Q0KRC6_SCHMA Loading...

WD_REPEATS_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KRC6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 768 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	41.3	Very low	63.6	Low	212 Å²	212	84.8 Å²	84.8	100%	1.044	47%	0.473	S	S	*	.				0	-39.1	0	-72.9	-157.8	-174.5	0	0	112.4	S3	M1-S3 PolarHBondContact O-N 3.3Å
2	G	46	Very low	63.9	Low	45 Å²	45	85.1 Å²	85.1	46%	0.464	47%	0.466	S	S	.	.	H	α-helix	trans	-63.2	-33.2	176.7	0	0	0	0	0	115.9	N4 E5 E6	G2-N4 VanDerWaalsContact C-N 3.31Å; G2-N4 PolarHBondContact O-N 3.36Å; G2-E5 PolarHBondContact O-N 3.19Å; G2-E6 PolarHBondContact O-N 3.23Å
3	S	53.8	Low	64.9	Low	70 Å²	70	85.7 Å²	85.7	49%	0.49	47%	0.467	S	S	.	.	H	α-helix	trans	-62.8	-31.3	-178.6	57	0	0	0	0	114.4	M1 I7	M1-S3 PolarHBondContact O-N 3.3Å; S3-I7 VanDerWaalsContact O-CD1 3.3Å; S3-I7 WeakPolarHBondContact O-CD1 3.48Å; S3-I7 WeakPolarHBondContact O-CG1 3.25Å; S3-I7 PolarHBondContact O-N 3.39Å
4	N	62.8	Low	65.8	Low	105 Å²	105	81.3 Å²	81.3	56%	0.561	44%	0.442	S	S	*	.	H	α-helix	trans	-79.9	-31.1	-176.1	-71.5	1.9	0	0	0	112.4	G2 L8	G2-N4 VanDerWaalsContact C-N 3.31Å; G2-N4 PolarHBondContact O-N 3.36Å; N4-L8 WeakPolarHBondContact O-CB 3.3Å; N4-L8 WeakPolarHBondContact O-CD1 3.41Å; N4-L8 VanDerWaalsContact O-CG 3.29Å; N4-L8 WeakPolarHBondContact O-CG 3.47Å; N4-L8 PolarHBondContact O-N 2.88Å; N4-L8 VanDerWaalsContact O-N 3.07Å
5	E	65.7	Low	66.1	Low	149 Å²	149	81.3 Å²	81.3	70%	0.696	44%	0.438	S	S	*	.	H	α-helix	trans	-70	-39.4	176.2	-72.8	-174	155.9	0	0	111.7	G2 L8 S9	G2-E5 PolarHBondContact O-N 3.19Å; E5-L8 PolarHBondContact O-N 2.96Å; E5-S9 WeakPolarHBondContact O-CB 3.48Å; E5-S9 PolarHBondContact O-N 2.91Å
6	E	71.4	Confident	66.4	Low	138 Å²	138	84.9 Å²	84.9	65%	0.645	45%	0.448	S	S	*	.	H	α-helix	trans	-63.6	-45.4	175.7	-69.3	176.4	178.2	0	0	111.3	G2 L8 S9 A10	G2-E6 PolarHBondContact O-N 3.23Å; E6-L8 PolarHBondContact O-N 3.44Å; E6-S9 PolarHBondContact O-N 3.02Å; E6-S9 VanDerWaalsContact O-N 3.17Å; E6-S9 PolarHBondContact O-OG 3.47Å; E6-A10 PolarHBondContact O-N 3.14Å
7	I	72.2	Confident	66.9	Low	50 Å²	50	89.1 Å²	89.1	26%	0.256	46%	0.458	S	S	.	.	H	α-helix	trans	-61.6	-42.3	176.2	-67.8	166.2	0	0	0	111.3	S3 S9 A10 L11 L26 A30 L32	S3-I7 VanDerWaalsContact O-CD1 3.3Å; S3-I7 WeakPolarHBondContact O-CD1 3.48Å; S3-I7 WeakPolarHBondContact O-CG1 3.25Å; S3-I7 PolarHBondContact O-N 3.39Å; I7-S9 VanDerWaalsContact C-N 3.33Å; I7-S9 PolarHBondContact O-N 3.43Å; I7-A10 PolarHBondContact O-N 3.18Å; I7-L11 HydrophobicContact CG2-CD1 4.25Å; I7-L11 WeakPolarHBondContact O-CG 3.38Å; I7-L11 PolarHBondContact O-N 3.35Å; I7-L26 HydrophobicContact CG2-CD2 3.99Å; I7-A30 HydrophobicContact CD1-CB 4.19Å; I7-A30 HydrophobicContact CG2-CB 3.9Å; I7-L32 HydrophobicContact CG2-CD1 3.86Å
8	L	66.1	Low	67.1	Low	69 Å²	69	90.8 Å²	90.8	36%	0.361	47%	0.468	S	S	.	.	H	α-helix	trans	-65	-36.7	175.7	-77	165.1	0	0	0	112.2	N4 E5 E6 K12	N4-L8 WeakPolarHBondContact O-CB 3.3Å; N4-L8 WeakPolarHBondContact O-CD1 3.41Å; N4-L8 VanDerWaalsContact O-CG 3.29Å; N4-L8 WeakPolarHBondContact O-CG 3.47Å; N4-L8 PolarHBondContact O-N 2.88Å; N4-L8 VanDerWaalsContact O-N 3.07Å; E5-L8 PolarHBondContact O-N 2.96Å; E6-L8 PolarHBondContact O-N 3.44Å; L8-K12 WeakPolarHBondContact O-CG 3.42Å; L8-K12 PolarHBondContact O-N 3.46Å
9	S	72.5	Confident	67.6	Low	59 Å²	59	90.5 Å²	90.5	41%	0.413	47%	0.467	S	S	.	.	H	α-helix	trans	-67.1	-39.9	174.4	81.1	0	0	0	0	111.8	E5 E6 I7 K12 I13	E5-S9 WeakPolarHBondContact O-CB 3.48Å; E5-S9 PolarHBondContact O-N 2.91Å; E6-S9 PolarHBondContact O-N 3.02Å; E6-S9 VanDerWaalsContact O-N 3.17Å; E6-S9 PolarHBondContact O-OG 3.47Å; I7-S9 VanDerWaalsContact C-N 3.33Å; I7-S9 PolarHBondContact O-N 3.43Å; S9-K12 WeakPolarHBondContact O-CB 3.36Å; S9-K12 PolarHBondContact O-N 3.26Å; S9-I13 WeakPolarHBondContact O-CG1 3.44Å; S9-I13 PolarHBondContact O-N 3.41Å
10	A	73.9	Confident	68	Low	29 Å²	29	92.9 Å²	92.9	24%	0.24	47%	0.474	C	S	.	.	H	α-helix	trans	-65.3	-44.3	175.6	0	0	0	0	0	111.3	E6 I7 K12 I13 L14 L26	E6-A10 PolarHBondContact O-N 3.14Å; I7-A10 PolarHBondContact O-N 3.18Å; A10-K12 VanDerWaalsContact C-N 3.33Å; A10-K12 PolarHBondContact O-N 3.47Å; A10-I13 WeakPolarHBondContact O-CB 3.33Å; A10-I13 PolarHBondContact O-N 3.24Å; A10-I13 VanDerWaalsContact O-N 3.12Å; A10-L14 VanDerWaalsContact O-CG 3.31Å; A10-L14 WeakPolarHBondContact O-CG 3.43Å; A10-L14 PolarHBondContact O-N 3.34Å; A10-L26 HydrophobicContact CB-CD1 4.28Å; A10-L26 HydrophobicContact CB-CD2 4.2Å
11	L	74.5	Confident	68.4	Low	7 Å²	7	96.6 Å²	96.6	4%	0.037	49%	0.489	C	S	.	.	H	α-helix	trans	-61.1	-39.9	173.9	-73.5	171.9	0	0	0	112.3	I7 I13 L14 Q15 E23 L26 K27 L32	I7-L11 HydrophobicContact CG2-CD1 4.25Å; I7-L11 WeakPolarHBondContact O-CG 3.38Å; I7-L11 PolarHBondContact O-N 3.35Å; L11-I13 VanDerWaalsContact C-N 3.3Å; L11-I13 PolarHBondContact O-N 3.34Å; L11-L14 PolarHBondContact O-N 3.1Å; L11-Q15 WeakPolarHBondContact O-CB 3.46Å; L11-Q15 WeakPolarHBondContact O-CG 3.33Å; L11-Q15 PolarHBondContact O-N 2.66Å; L11-E23 HydrophobicContact CD2-CG 3.94Å; L11-L26 HydrophobicContact CD1-CD2 4.46Å; L11-L26 HydrophobicContact CD2-CD2 3.64Å; L11-L26 HydrophobicContact CG-CD2 3.62Å; L11-K27 HydrophobicContact CD2-CG 3.93Å; L11-L32 HydrophobicContact CD1-CD1 3.69Å
12	K	66.8	Low	70.3	Confident	88 Å²	88	89.1 Å²	89.1	38%	0.383	46%	0.458	S	S	.	.	H	α-helix	trans	-59.8	-40.4	173.5	-78.6	173.6	-178.1	176.5	0	111.8	L8 S9 A10 K16 F41	L8-K12 WeakPolarHBondContact O-CG 3.42Å; L8-K12 PolarHBondContact O-N 3.46Å; S9-K12 WeakPolarHBondContact O-CB 3.36Å; S9-K12 PolarHBondContact O-N 3.26Å; A10-K12 VanDerWaalsContact C-N 3.33Å; A10-K12 PolarHBondContact O-N 3.47Å; K12-K16 WeakPolarHBondContact O-CB 3.27Å; K12-K16 PolarHBondContact O-N 3.06Å; K12-F41 HydrophobicContact CD-CE2 4.34Å; K12-F41 HydrophobicContact CG-CE2 3.74Å; K12-F41 HydrophobicContact CG-CZ 4.16Å
13	I	76.3	Confident	71.6	Confident	93 Å²	93	88.3 Å²	88.3	48%	0.477	44%	0.442	S	S	.	.	H	α-helix	trans	-67.9	-47.1	176.8	-67.8	165.8	0	0	0	110.4	S9 A10 L11 Q15 K16 Y17	S9-I13 WeakPolarHBondContact O-CG1 3.44Å; S9-I13 PolarHBondContact O-N 3.41Å; A10-I13 WeakPolarHBondContact O-CB 3.33Å; A10-I13 PolarHBondContact O-N 3.24Å; A10-I13 VanDerWaalsContact O-N 3.12Å; L11-I13 VanDerWaalsContact C-N 3.3Å; L11-I13 PolarHBondContact O-N 3.34Å; I13-Q15 VanDerWaalsContact C-N 3.34Å; I13-Q15 PolarHBondContact O-N 3.3Å; I13-K16 WeakPolarHBondContact O-CB 3.38Å; I13-K16 PolarHBondContact O-N 3.16Å; I13-K16 VanDerWaalsContact O-N 3.14Å; I13-Y17 HydrophobicContact CG2-CD2 3.8Å; I13-Y17 HydrophobicContact CG2-CE2 3.89Å; I13-Y17 WeakPolarHBondContact O-CD2 3.48Å; I13-Y17 PolarHBondContact O-N 3.45Å
14	L	78.3	Confident	72.6	Confident	24 Å²	24	90 Å²	90	13%	0.126	45%	0.445	C	S	.	.	H	α-helix	trans	-62.3	-41.2	-180	-68.1	174.1	0	0	0	112.1	A10 L11 Y17 N18 L19 E23 L26	A10-L14 VanDerWaalsContact O-CG 3.31Å; A10-L14 WeakPolarHBondContact O-CG 3.43Å; A10-L14 PolarHBondContact O-N 3.34Å; L11-L14 PolarHBondContact O-N 3.1Å; L14-Y17 CarbonylContact O-C 3.6Å; L14-Y17 PolarHBondContact O-N 3.18Å; L14-N18 PolarHBondContact O-N 3.47Å; L14-L19 HydrophobicContact CD2-CB 4.19Å; L14-L19 HydrophobicContact CD2-CD1 4Å; L14-L19 PolarHBondContact O-N 3.26Å; L14-E23 HydrophobicContact CB-CB 4.36Å; L14-L26 HydrophobicContact CD1-CB 4.03Å; L14-L26 HydrophobicContact CD1-CD1 4.13Å; L14-L26 HydrophobicContact CD1-CD2 4.38Å; L14-L26 HydrophobicContact CD1-CG 4.42Å
15	Q	69.8	Low	73.5	Confident	82 Å²	82	87 Å²	87	38%	0.383	44%	0.435	S	S	.	.	H	α-helix	trans	-66.4	-40.2	172.8	-74.7	-179.2	-10.4	0	0	112	L11 I13 Y17 N18 E23	L11-Q15 WeakPolarHBondContact O-CB 3.46Å; L11-Q15 WeakPolarHBondContact O-CG 3.33Å; L11-Q15 PolarHBondContact O-N 2.66Å; I13-Q15 VanDerWaalsContact C-N 3.34Å; I13-Q15 PolarHBondContact O-N 3.3Å; Q15-Y17 PolarHBondContact O-N 3.44Å; Q15-N18 PolarHBondContact O-N 3.39Å; Q15-N18 VanDerWaalsContact O-N 3.15Å; Q15-E23 PolarHBondContact NE2-OE1 3.27Å
16	K	70.6	Confident	74.1	Confident	138 Å²	138	82.1 Å²	82.1	60%	0.6	41%	0.414	S	S	*	.	H	α-helix	trans	-59.1	-34	175.5	-178.1	174.9	-176.3	172.3	0	112.2	K12 I13	K12-K16 WeakPolarHBondContact O-CB 3.27Å; K12-K16 PolarHBondContact O-N 3.06Å; I13-K16 WeakPolarHBondContact O-CB 3.38Å; I13-K16 PolarHBondContact O-N 3.16Å; I13-K16 VanDerWaalsContact O-N 3.14Å
17	Y	75.2	Confident	74.1	Confident	157 Å²	157	78.1 Å²	78.1	62%	0.616	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	6.1	178.5	-67.7	-70.7	0	0	0	114.4	I13 L14 Q15 L19	I13-Y17 HydrophobicContact CG2-CD2 3.8Å; I13-Y17 HydrophobicContact CG2-CE2 3.89Å; I13-Y17 WeakPolarHBondContact O-CD2 3.48Å; I13-Y17 PolarHBondContact O-N 3.45Å; L14-Y17 CarbonylContact O-C 3.6Å; L14-Y17 PolarHBondContact O-N 3.18Å; Q15-Y17 PolarHBondContact O-N 3.44Å; Y17-L19 VanDerWaalsContact C-N 3.26Å; Y17-L19 PolarHBondContact O-N 2.94Å
18	N	70.1	Confident	74.3	Confident	120 Å²	120	81.8 Å²	81.8	64%	0.642	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	34.5	177.8	-158.4	23.8	0	0	0	114.3	L14 Q15 K20	L14-N18 PolarHBondContact O-N 3.47Å; Q15-N18 PolarHBondContact O-N 3.39Å; Q15-N18 VanDerWaalsContact O-N 3.15Å; N18-K20 PolarHBondContact O-N 3.26Å
19	L	76.8	Confident	74.7	Confident	84 Å²	84	86.6 Å²	86.6	44%	0.44	43%	0.431	S	S	.	.			trans	-88.9	77.6	-178.9	-67.6	168.8	0	0	0	110.8	L14 Y17 E21 S22 E23	L14-L19 HydrophobicContact CD2-CB 4.19Å; L14-L19 HydrophobicContact CD2-CD1 4Å; L14-L19 PolarHBondContact O-N 3.26Å; Y17-L19 VanDerWaalsContact C-N 3.26Å; Y17-L19 PolarHBondContact O-N 2.94Å; L19-E21 PolarHBondContact O-N 2.99Å; L19-S22 PolarHBondContact O-N 3.03Å; L19-E23 WeakPolarHBondContact O-CB 3.32Å; L19-E23 PolarHBondContact O-N 3.39Å
20	K	75.9	Confident	74.5	Confident	139 Å²	139	85.5 Å²	85.5	60%	0.604	43%	0.425	S	S	*	.	H	α-helix	trans	-61.5	-37.2	-172.3	-65.5	-175.6	179.6	-179.7	0	114.4	N18 L24	N18-K20 PolarHBondContact O-N 3.26Å; K20-L24 WeakPolarHBondContact O-CB 3.47Å; K20-L24 PolarHBondContact O-N 3.31Å
21	E	77.5	Confident	73.9	Confident	170 Å²	170	87.1 Å²	87.1	79%	0.794	44%	0.444	S	S	*	.	H	α-helix	trans	-68.7	-46.6	179.4	-69.2	-179.7	176	0	0	111.5	L19 E23 L24 A25	L19-E21 PolarHBondContact O-N 2.99Å; E21-E23 VanDerWaalsContact C-N 3.32Å; E21-E23 PolarHBondContact O-N 3.42Å; E21-L24 PolarHBondContact O-N 2.79Å; E21-A25 WeakPolarHBondContact O-CB 3.35Å; E21-A25 PolarHBondContact O-N 3.44Å
22	S	79.3	Confident	73.3	Confident	55 Å²	55	88.9 Å²	88.9	39%	0.385	45%	0.454	S	S	.	.	H	α-helix	trans	-65.7	-36.4	176	-50.6	0	0	0	0	111.7	L19 L26	L19-S22 PolarHBondContact O-N 3.03Å; S22-L26 VanDerWaalsContact O-CB 3.27Å; S22-L26 WeakPolarHBondContact O-CB 3.49Å; S22-L26 PolarHBondContact O-N 2.99Å
23	E	75.1	Confident	72.7	Confident	29 Å²	29	90.6 Å²	90.6	14%	0.136	47%	0.466	C	S	.	.	H	α-helix	trans	-62.5	-44.7	173	-172.7	-172.3	170.4	0	0	111.3	L11 L14 Q15 L19 E21 K27	L11-E23 HydrophobicContact CD2-CG 3.94Å; L14-E23 HydrophobicContact CB-CB 4.36Å; Q15-E23 PolarHBondContact NE2-OE1 3.27Å; L19-E23 WeakPolarHBondContact O-CB 3.32Å; L19-E23 PolarHBondContact O-N 3.39Å; E21-E23 VanDerWaalsContact C-N 3.32Å; E21-E23 PolarHBondContact O-N 3.42Å; E23-K27 HydrophobicContact CG-CD 4.11Å; E23-K27 VanDerWaalsContact O-CB 3.27Å; E23-K27 WeakPolarHBondContact O-CB 3.38Å; E23-K27 WeakPolarHBondContact O-CG 3.35Å; E23-K27 PolarHBondContact O-N 3.01Å; E23-K27 VanDerWaalsContact OE1-CE 3.28Å; E23-K27 WeakPolarHBondContact OE1-CE 3.28Å; E23-K27 IonicContact OE1-NZ 3.48Å; E23-K27 PolarHBondContact OE1-NZ 2.95Å
24	L	74.6	Confident	71.3	Confident	104 Å²	104	92 Å²	92	55%	0.545	47%	0.474	S	S	.	.	H	α-helix	trans	-65.2	-43.5	176.6	-89.4	167.3	0	0	0	112.2	K20 E21 K27 Q28	K20-L24 WeakPolarHBondContact O-CB 3.47Å; K20-L24 PolarHBondContact O-N 3.31Å; E21-L24 PolarHBondContact O-N 2.79Å; L24-K27 PolarHBondContact O-N 2.89Å; L24-Q28 WeakPolarHBondContact O-CB 3.49Å; L24-Q28 VanDerWaalsContact O-CG 3.31Å; L24-Q28 WeakPolarHBondContact O-CG 3.32Å; L24-Q28 PolarHBondContact O-N 3.02Å
25	A	80.8	Confident	70.3	Confident	44 Å²	44	99.1 Å²	99.1	36%	0.364	51%	0.507	S	S	.	.	H	α-helix	trans	-61.6	-47.7	176.9	0	0	0	0	0	111.4	E21 K27 Q28 E29	E21-A25 WeakPolarHBondContact O-CB 3.35Å; E21-A25 PolarHBondContact O-N 3.44Å; A25-K27 VanDerWaalsContact C-N 3.31Å; A25-K27 PolarHBondContact O-N 2.88Å; A25-Q28 WeakPolarHBondContact O-CB 3.43Å; A25-Q28 PolarHBondContact O-N 2.89Å; A25-Q28 VanDerWaalsContact O-N 3.1Å; A25-E29 PolarHBondContact O-N 3.27Å
26	L	79.2	Confident	69.3	Low	46 Å²	46	101.9 Å²	101.9	24%	0.241	52%	0.517	C	S	.	.	H	α-helix	trans	-66.9	-33.4	178.9	-160.1	123.7	0	0	0	111.9	I7 A10 L11 L14 S22 A30	I7-L26 HydrophobicContact CG2-CD2 3.99Å; A10-L26 HydrophobicContact CB-CD1 4.28Å; A10-L26 HydrophobicContact CB-CD2 4.2Å; L11-L26 HydrophobicContact CD1-CD2 4.46Å; L11-L26 HydrophobicContact CD2-CD2 3.64Å; L11-L26 HydrophobicContact CG-CD2 3.62Å; L14-L26 HydrophobicContact CD1-CB 4.03Å; L14-L26 HydrophobicContact CD1-CD1 4.13Å; L14-L26 HydrophobicContact CD1-CD2 4.38Å; L14-L26 HydrophobicContact CD1-CG 4.42Å; S22-L26 VanDerWaalsContact O-CB 3.27Å; S22-L26 WeakPolarHBondContact O-CB 3.49Å; S22-L26 PolarHBondContact O-N 2.99Å; L26-A30 WeakPolarHBondContact O-CB 3.24Å; L26-A30 PolarHBondContact O-N 3Å
27	K	70.8	Confident	68	Low	53 Å²	53	96.2 Å²	96.2	23%	0.23	49%	0.494	C	S	.	.	H	α-helix	trans	-67	-38.6	170.4	-78.3	172.5	171.1	175.1	0	112.4	L11 E23 L24 A25 G31 L32	L11-K27 HydrophobicContact CD2-CG 3.93Å; E23-K27 HydrophobicContact CG-CD 4.11Å; E23-K27 VanDerWaalsContact O-CB 3.27Å; E23-K27 WeakPolarHBondContact O-CB 3.38Å; E23-K27 WeakPolarHBondContact O-CG 3.35Å; E23-K27 PolarHBondContact O-N 3.01Å; E23-K27 VanDerWaalsContact OE1-CE 3.28Å; E23-K27 WeakPolarHBondContact OE1-CE 3.28Å; E23-K27 IonicContact OE1-NZ 3.48Å; E23-K27 PolarHBondContact OE1-NZ 2.95Å; L24-K27 PolarHBondContact O-N 2.89Å; A25-K27 VanDerWaalsContact C-N 3.31Å; A25-K27 PolarHBondContact O-N 2.88Å; K27-G31 PolarHBondContact O-N 3.21Å; K27-L32 HydrophobicContact CB-CB 4.12Å; K27-L32 HydrophobicContact CG-CB 4.23Å; K27-L32 WeakPolarHBondContact O-CA 3.24Å; K27-L32 VanDerWaalsContact O-CB 3.29Å; K27-L32 WeakPolarHBondContact O-CB 3.33Å; K27-L32 PolarHBondContact O-N 2.7Å
28	Q	75.7	Confident	66.6	Low	128 Å²	128	91.9 Å²	91.9	60%	0.598	49%	0.49	S	S	*	.	H	α-helix	trans	-66.9	-45.9	176.4	-76.1	175.7	1.2	0	0	111.2	L24 A25 A30 G31 I33	L24-Q28 WeakPolarHBondContact O-CB 3.49Å; L24-Q28 VanDerWaalsContact O-CG 3.31Å; L24-Q28 WeakPolarHBondContact O-CG 3.32Å; L24-Q28 PolarHBondContact O-N 3.02Å; A25-Q28 WeakPolarHBondContact O-CB 3.43Å; A25-Q28 PolarHBondContact O-N 2.89Å; A25-Q28 VanDerWaalsContact O-N 3.1Å; Q28-A30 VanDerWaalsContact C-N 3.34Å; Q28-A30 PolarHBondContact O-N 3.45Å; Q28-G31 PolarHBondContact O-N 2.99Å; Q28-I33 HydrophobicContact CG-CD1 4.4Å; Q28-I33 HydrophobicContact CG-CG1 4.45Å
29	E	74.5	Confident	65.6	Low	170 Å²	170	91 Å²	91	79%	0.794	48%	0.482	S	S	*	.	H	α-helix	trans	-64.2	-36.8	178	-73.4	-174.9	168.3	0	0	112.8	A25 G31	A25-E29 PolarHBondContact O-N 3.27Å; E29-G31 VanDerWaalsContact C-N 3.26Å; E29-G31 PolarHBondContact O-N 3.12Å
30	A	68	Low	64.1	Low	36 Å²	36	92.7 Å²	92.7	30%	0.298	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	3.2	178.5	0	0	0	0	0	114	I7 L26 Q28 L32	I7-A30 HydrophobicContact CD1-CB 4.19Å; I7-A30 HydrophobicContact CG2-CB 3.9Å; L26-A30 WeakPolarHBondContact O-CB 3.24Å; L26-A30 PolarHBondContact O-N 3Å; Q28-A30 VanDerWaalsContact C-N 3.34Å; Q28-A30 PolarHBondContact O-N 3.45Å; A30-L32 HydrophobicContact CB-CB 4.2Å; A30-L32 HydrophobicContact CB-CD1 3.42Å; A30-L32 VanDerWaalsContact CB-CD1 3.42Å; A30-L32 HydrophobicContact CB-CG 3.59Å; A30-L32 PolarHBondContact O-N 3.32Å
31	G	61.9	Low	62.5	Low	62 Å²	62	88.5 Å²	88.5	64%	0.639	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	21.9	-177.9	0	0	0	0	0	113.7	K27 Q28 E29 I33	K27-G31 PolarHBondContact O-N 3.21Å; Q28-G31 PolarHBondContact O-N 2.99Å; E29-G31 VanDerWaalsContact C-N 3.26Å; E29-G31 PolarHBondContact O-N 3.12Å; G31-I33 VanDerWaalsContact C-N 3.27Å; G31-I33 PolarHBondContact O-N 3.45Å
32	L	61.2	Low	61.2	Low	45 Å²	45	83 Å²	83	24%	0.236	45%	0.445	C	S	.	.			trans	-91.8	35.2	-168.6	-81.1	-178.9	0	0	0	112	I7 L11 K27 A30 N34 I37	I7-L32 HydrophobicContact CG2-CD1 3.86Å; L11-L32 HydrophobicContact CD1-CD1 3.69Å; K27-L32 HydrophobicContact CB-CB 4.12Å; K27-L32 HydrophobicContact CG-CB 4.23Å; K27-L32 WeakPolarHBondContact O-CA 3.24Å; K27-L32 VanDerWaalsContact O-CB 3.29Å; K27-L32 WeakPolarHBondContact O-CB 3.33Å; K27-L32 PolarHBondContact O-N 2.7Å; A30-L32 HydrophobicContact CB-CB 4.2Å; A30-L32 HydrophobicContact CB-CD1 3.42Å; A30-L32 VanDerWaalsContact CB-CD1 3.42Å; A30-L32 HydrophobicContact CB-CG 3.59Å; A30-L32 PolarHBondContact O-N 3.32Å; L32-N34 PolarHBondContact O-N 3.48Å; L32-I37 VanDerWaalsContact CA-CD1 3.45Å; L32-I37 HydrophobicContact CB-CD1 3.08Å; L32-I37 HydrophobicContact CB-CG1 4.34Å; L32-I37 HydrophobicContact CD1-CD1 3.94Å; L32-I37 HydrophobicContact CD2-CD1 3.14Å; L32-I37 HydrophobicContact CD2-CG1 3.46Å; L32-I37 VanDerWaalsContact CD2-CG1 3.46Å; L32-I37 HydrophobicContact CG-CD1 3.44Å; L32-I37 VanDerWaalsContact CG-CD1 3.44Å; L32-I37 HydrophobicContact CG-CG1 4.28Å; L32-I37 WeakPolarHBondContact O-CD1 3.3Å
33	I	55.4	Low	59.5	Low	124 Å²	124	85.1 Å²	85.1	64%	0.636	45%	0.448	S	S	*	.			trans	-85.5	-6.9	-166.6	-61.4	165.3	0	0	0	112.9	Q28 G31	Q28-I33 HydrophobicContact CG-CD1 4.4Å; Q28-I33 HydrophobicContact CG-CG1 4.45Å; G31-I33 VanDerWaalsContact C-N 3.27Å; G31-I33 PolarHBondContact O-N 3.45Å
34	N	47.7	Very low	58	Low	123 Å²	123	89.2 Å²	89.2	66%	0.658	47%	0.465	S	S	*	.	S	Bend	trans	-105.9	146.4	179	-77.5	-28.6	0	0	0	112.2	L32 K36	L32-N34 PolarHBondContact O-N 3.48Å; N34-K36 PolarHBondContact O-N 2.94Å
35	E	55.9	Low	56.8	Low	172 Å²	172	88.7 Å²	88.7	80%	0.804	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.7	-13.4	179.5	-68.9	176.2	138.4	0	0	116.7	I37 A38 E39	E35-I37 PolarHBondContact O-N 3.19Å; E35-I37 VanDerWaalsContact O-N 3.08Å; E35-A38 PolarHBondContact O-N 2.91Å; E35-E39 PolarHBondContact O-N 3.36Å
36	K	48.3	Very low	55.3	Low	140 Å²	140	88.1 Å²	88.1	61%	0.609	45%	0.454	S	S	*	.	H	α-helix	trans	-54.3	-24.8	179.6	-74.6	-177.5	175	178.1	0	115.3	N34 E40	N34-K36 PolarHBondContact O-N 2.94Å; K36-E40 WeakPolarHBondContact O-CB 3.39Å; K36-E40 WeakPolarHBondContact O-CG 3.24Å; K36-E40 PolarHBondContact O-N 2.97Å
37	I	44.5	Very low	53.7	Low	20 Å²	20	92.5 Å²	92.5	10%	0.103	47%	0.473	C	S	.	.	H	α-helix	trans	-86.7	-33.2	-175.2	-58	149.9	0	0	0	111.9	L32 E35 E40 F41	L32-I37 VanDerWaalsContact CA-CD1 3.45Å; L32-I37 HydrophobicContact CB-CD1 3.08Å; L32-I37 HydrophobicContact CB-CG1 4.34Å; L32-I37 HydrophobicContact CD1-CD1 3.94Å; L32-I37 HydrophobicContact CD2-CD1 3.14Å; L32-I37 HydrophobicContact CD2-CG1 3.46Å; L32-I37 VanDerWaalsContact CD2-CG1 3.46Å; L32-I37 HydrophobicContact CG-CD1 3.44Å; L32-I37 VanDerWaalsContact CG-CD1 3.44Å; L32-I37 HydrophobicContact CG-CG1 4.28Å; L32-I37 WeakPolarHBondContact O-CD1 3.3Å; E35-I37 PolarHBondContact O-N 3.19Å; E35-I37 VanDerWaalsContact O-N 3.08Å; I37-E40 PolarHBondContact O-N 2.64Å; I37-F41 WeakPolarHBondContact O-CB 3.44Å; I37-F41 PolarHBondContact O-N 2.93Å
38	A	46.1	Very low	52.8	Low	65 Å²	65	92.8 Å²	92.8	54%	0.537	48%	0.479	S	S	.	.	H	α-helix	trans	-62.8	-40.9	168.9	0	0	0	0	0	109.1	E35 L42	E35-A38 PolarHBondContact O-N 2.91Å; A38-L42 VanDerWaalsContact O-CB 3.27Å; A38-L42 WeakPolarHBondContact O-CB 3.43Å; A38-L42 WeakPolarHBondContact O-CD1 3.45Å; A38-L42 WeakPolarHBondContact O-CG 3.47Å; A38-L42 PolarHBondContact O-N 3.3Å
39	E	49.5	Very low	51.7	Low	103 Å²	103	96.4 Å²	96.4	48%	0.481	49%	0.493	S	S	.	.	H	α-helix	trans	-66.6	-43.5	173.9	-68.3	-171.5	156.2	0	0	113.4	E35 L42 K43	E35-E39 PolarHBondContact O-N 3.36Å; E39-L42 PolarHBondContact O-N 3.39Å; E39-K43 WeakPolarHBondContact O-CB 3.48Å; E39-K43 VanDerWaalsContact O-CG 3.28Å; E39-K43 WeakPolarHBondContact O-CG 3.43Å; E39-K43 PolarHBondContact O-N 3.5Å
40	E	43.3	Very low	50.9	Low	118 Å²	118	91 Å²	91	55%	0.551	47%	0.469	S	S	*	.	H	α-helix	trans	-68	-35.5	176.5	-82.3	-178.2	170.7	0	0	112.1	K36 I37 K43 F44	K36-E40 WeakPolarHBondContact O-CB 3.39Å; K36-E40 WeakPolarHBondContact O-CG 3.24Å; K36-E40 PolarHBondContact O-N 2.97Å; I37-E40 PolarHBondContact O-N 2.64Å; E40-K43 WeakPolarHBondContact O-CB 3.34Å; E40-K43 PolarHBondContact O-N 3.11Å; E40-F44 WeakPolarHBondContact O-CB 3.48Å; E40-F44 PolarHBondContact O-N 3.48Å
41	F	44	Very low	50.9	Low	52 Å²	52	95.2 Å²	95.2	23%	0.228	48%	0.483	C	S	.	.	H	α-helix	trans	-72.2	-36.3	175.6	-165.6	-94.9	0	0	0	112.2	K12 I37 F44 K45	K12-F41 HydrophobicContact CD-CE2 4.34Å; K12-F41 HydrophobicContact CG-CE2 3.74Å; K12-F41 HydrophobicContact CG-CZ 4.16Å; I37-F41 WeakPolarHBondContact O-CB 3.44Å; I37-F41 PolarHBondContact O-N 2.93Å; F41-F44 PolarHBondContact O-N 3.48Å; F41-K45 PolarHBondContact O-N 3.25Å; F41-K45 VanDerWaalsContact O-N 3.17Å
42	L	48.5	Very low	51.2	Low	54 Å²	54	93 Å²	93	28%	0.283	46%	0.458	S	S	.	.	H	α-helix	trans	-67.6	-39.8	170	-85.5	154.7	0	0	0	111.6	A38 E39 F44 K45 A46 I97	A38-L42 VanDerWaalsContact O-CB 3.27Å; A38-L42 WeakPolarHBondContact O-CB 3.43Å; A38-L42 WeakPolarHBondContact O-CD1 3.45Å; A38-L42 WeakPolarHBondContact O-CG 3.47Å; A38-L42 PolarHBondContact O-N 3.3Å; E39-L42 PolarHBondContact O-N 3.39Å; L42-F44 VanDerWaalsContact C-N 3.33Å; L42-F44 PolarHBondContact O-N 3.27Å; L42-K45 PolarHBondContact O-N 3.05Å; L42-A46 WeakPolarHBondContact O-CB 3.37Å; L42-A46 PolarHBondContact O-N 3.44Å; L42-I97 HydrophobicContact CB-CD1 3.92Å; L42-I97 HydrophobicContact CD1-CD1 4.07Å; L42-I97 HydrophobicContact CD2-CD1 3.67Å; L42-I97 HydrophobicContact CG-CD1 4.09Å
43	K	45.6	Very low	51.6	Low	100 Å²	100	97.1 Å²	97.1	44%	0.435	48%	0.475	S	S	.	.	H	α-helix	trans	-60.6	-39.7	170.5	-80.1	171.8	178.7	172.2	0	111.9	E39 E40 K45 A46 Q47	E39-K43 WeakPolarHBondContact O-CB 3.48Å; E39-K43 VanDerWaalsContact O-CG 3.28Å; E39-K43 WeakPolarHBondContact O-CG 3.43Å; E39-K43 PolarHBondContact O-N 3.5Å; E40-K43 WeakPolarHBondContact O-CB 3.34Å; E40-K43 PolarHBondContact O-N 3.11Å; K43-K45 PolarHBondContact O-N 2.88Å; K43-A46 PolarHBondContact O-N 2.97Å; K43-Q47 WeakPolarHBondContact O-CG 3.15Å; K43-Q47 PolarHBondContact O-N 2.9Å
44	F	43	Very low	52.9	Low	114 Å²	114	94.3 Å²	94.3	50%	0.5	46%	0.462	S	S	.	.	H	α-helix	trans	-63.8	-38.6	176.5	-176.4	-96.5	0	0	0	112.5	E40 F41 L42 A46 Q47	E40-F44 WeakPolarHBondContact O-CB 3.48Å; E40-F44 PolarHBondContact O-N 3.48Å; F41-F44 PolarHBondContact O-N 3.48Å; L42-F44 VanDerWaalsContact C-N 3.33Å; L42-F44 PolarHBondContact O-N 3.27Å; F44-A46 VanDerWaalsContact C-N 3.35Å; F44-Q47 PolarHBondContact O-N 2.99Å
45	K	49.2	Very low	54.6	Low	93 Å²	93	89 Å²	89	40%	0.404	43%	0.433	S	S	.	.	H	α-helix	trans	-71.9	-27.6	172.9	-81.9	-169.6	172.9	-174.7	0	113.5	F41 L42 K43 Q47	F41-K45 PolarHBondContact O-N 3.25Å; F41-K45 VanDerWaalsContact O-N 3.17Å; L42-K45 PolarHBondContact O-N 3.05Å; K43-K45 PolarHBondContact O-N 2.88Å; K45-Q47 VanDerWaalsContact C-N 3.31Å
46	A	49	Very low	56	Low	32 Å²	32	82.5 Å²	82.5	26%	0.264	41%	0.406	S	S	.	.	H	α-helix	trans	-77.1	-11.5	176.3	0	0	0	0	0	113.7	L42 K43 F44 V48	L42-A46 WeakPolarHBondContact O-CB 3.37Å; L42-A46 PolarHBondContact O-N 3.44Å; K43-A46 PolarHBondContact O-N 2.97Å; F44-A46 VanDerWaalsContact C-N 3.35Å; A46-V48 PolarHBondContact O-N 3.4Å
47	Q	46.2	Very low	57.9	Low	139 Å²	139	78.6 Å²	78.6	65%	0.65	40%	0.4	S	S	*	.			trans	-72.8	9.4	-171.7	-92.9	177.2	-3.7	0	0	116.9	K43 F44 K45 K49	K43-Q47 WeakPolarHBondContact O-CG 3.15Å; K43-Q47 PolarHBondContact O-N 2.9Å; F44-Q47 PolarHBondContact O-N 2.99Å; K45-Q47 VanDerWaalsContact C-N 3.31Å; Q47-K49 PolarHBondContact O-N 3.47Å
48	V	50.6	Low	60.1	Low	59 Å²	59	79 Å²	79	36%	0.358	40%	0.402	S	S	.	.			trans	-89.1	112.4	170.3	178.7	0	0	0	0	109.2	A46 D50 V179	A46-V48 PolarHBondContact O-N 3.4Å; V48-D50 HydrophobicContact CG1-CB 4.45Å; V48-D50 PolarHBondContact O-N 3.14Å; V48-V179 HydrophobicContact CG1-CG2 3.85Å
49	K	53.1	Low	62.2	Low	203 Å²	203	76 Å²	76	88%	0.883	38%	0.377	S	S	*	.			trans	-64.8	27.5	-175.3	-64.6	-180	173.5	179.4	0	115.5	Q47	Q47-K49 PolarHBondContact O-N 3.47Å
50	D	59	Low	64.3	Low	56 Å²	56	74.8 Å²	74.8	30%	0.299	37%	0.371	S	S	.	.			trans	-86.4	130.1	-178.6	-82.3	8.6	0	0	0	111	V48 F55 V179	V48-D50 HydrophobicContact CG1-CB 4.45Å; V48-D50 PolarHBondContact O-N 3.14Å; D50-F55 HydrophobicContact CB-CE2 4.38Å; D50-V179 HydrophobicContact CB-CG2 3.98Å; D50-V179 WeakPolarHBondContact OD2-CG2 3.41Å
51	E	66.2	Low	66.6	Low	126 Å²	126	70.2 Å²	70.2	59%	0.589	35%	0.353	S	S	*	.			trans	-60.7	139.2	174.9	-65.7	-177.6	166.6	0	0	110.6	E53 N54	E51-E53 PolarHBondContact O-N 3.09Å; E51-E53 VanDerWaalsContact O-N 3.08Å; E51-N54 WeakPolarHBondContact O-CB 3.38Å; E51-N54 PolarHBondContact O-N 3.4Å
52	P	69	Low	68.9	Low	16 Å²	16	67.9 Å²	67.9	10%	0.104	34%	0.342	C	S	.	.	H	α-helix	trans	-61.7	-22.5	-175.7	26.3	-36.4	0	0	0	113.3	N54 F55 L92 F106 L107 A110	P52-N54 VanDerWaalsContact C-N 3.33Å; P52-F55 WeakPolarHBondContact O-CB 3.31Å; P52-F55 PolarHBondContact O-N 3.2Å; P52-L92 HydrophobicContact CB-CD2 4.09Å; P52-F106 HydrophobicContact CG-CD1 4.06Å; P52-F106 HydrophobicContact CG-CE1 3.5Å; P52-F106 VanDerWaalsContact CG-CE1 3.5Å; P52-L107 HydrophobicContact CB-CD2 4Å; P52-L107 HydrophobicContact CG-CD2 4.31Å; P52-A110 HydrophobicContact CB-CB 4.23Å
53	E	70	Confident	71	Confident	130 Å²	130	65.8 Å²	65.8	61%	0.607	33%	0.331	S	S	*	.	H	α-helix	trans	-69	-32.1	176.9	-58.8	-166.5	167.9	0	0	112.3	E51 F55 C56 F106	E51-E53 PolarHBondContact O-N 3.09Å; E51-E53 VanDerWaalsContact O-N 3.08Å; E53-F55 PolarHBondContact O-N 3.35Å; E53-C56 PolarHBondContact O-N 3.45Å; E53-F106 HydrophobicContact CG-CZ 4.42Å
54	N	82.1	Confident	73.3	Confident	65 Å²	65	64.9 Å²	64.9	35%	0.348	33%	0.334	S	S	.	.	H	α-helix	trans	-65.9	-23.9	178.2	-67.7	-18	0	0	0	112	E51 P52 C56 A57 N58	E51-N54 WeakPolarHBondContact O-CB 3.38Å; E51-N54 PolarHBondContact O-N 3.4Å; P52-N54 VanDerWaalsContact C-N 3.33Å; N54-C56 VanDerWaalsContact C-N 3.33Å; N54-C56 PolarHBondContact O-N 2.94Å; N54-A57 PolarHBondContact O-N 3.24Å; N54-N58 WeakPolarHBondContact O-CB 3.42Å; N54-N58 PolarHBondContact O-N 3.48Å; N54-N58 PolarHBondContact O-ND2 3.32Å; N54-N58 PolarHBondContact O-OD1 3.34Å
55	F	83.3	Confident	75.7	Confident	12 Å²	12	60.5 Å²	60.5	5%	0.053	32%	0.315	C	S	.	.	H	α-helix	trans	-61.9	-40.5	177.4	-75.9	-107.4	0	0	0	112.1	D50 P52 E53 Y59 M88 R91 L92 V179	D50-F55 HydrophobicContact CB-CE2 4.38Å; P52-F55 WeakPolarHBondContact O-CB 3.31Å; P52-F55 PolarHBondContact O-N 3.2Å; E53-F55 PolarHBondContact O-N 3.35Å; F55-Y59 WeakPolarHBondContact O-CB 3.28Å; F55-Y59 PolarHBondContact O-N 2.88Å; F55-Y59 VanDerWaalsContact O-N 3.09Å; F55-M88 HydrophobicContact CB-CE 3.79Å; F55-M88 HydrophobicContact CD1-CB 4.23Å; F55-M88 HydrophobicContact CD1-CE 3.54Å; F55-M88 HydrophobicContact CD1-CG 4.4Å; F55-M88 HydrophobicContact CE1-CE 4.48Å; F55-M88 HydrophobicContact CG-CE 3.99Å; F55-M88 WeakPolarHBondContact O-CE 3.32Å; F55-R91 HydrophobicContact CE1-CB 4.21Å; F55-R91 HydrophobicContact CE1-CG 4.21Å; F55-R91 HydrophobicContact CZ-CG 4.26Å; F55-L92 HydrophobicContact CB-CD1 4.17Å; F55-L92 HydrophobicContact CB-CD2 4.25Å; F55-L92 HydrophobicContact CB-CG 4.5Å; F55-L92 HydrophobicContact CD1-CD1 4.17Å; F55-L92 HydrophobicContact CD1-CD2 3.92Å; F55-L92 HydrophobicContact CD1-CG 3.8Å; F55-L92 HydrophobicContact CD2-CD2 3.74Å; F55-L92 HydrophobicContact CE1-CD2 4.17Å; F55-L92 HydrophobicContact CE1-CG 4.11Å; F55-L92 HydrophobicContact CE2-CD2 3.99Å; F55-L92 HydrophobicContact CG-CD1 4.24Å; F55-L92 HydrophobicContact CG-CD2 3.71Å; F55-L92 HydrophobicContact CG-CG 4.04Å; F55-L92 HydrophobicContact CZ-CD2 4.2Å; F55-V179 HydrophobicContact CE1-CG1 4.1Å; F55-V179 HydrophobicContact CZ-CG1 4.4Å
56	C	86.3	Confident	77.8	Confident	35 Å²	35	56.4 Å²	56.4	24%	0.236	30%	0.298	C	S	.	.	H	α-helix	trans	-69.1	-44.3	177.9	-69.3	0	0	0	0	111.4	E53 N54 Q60 F118	E53-C56 PolarHBondContact O-N 3.45Å; N54-C56 VanDerWaalsContact C-N 3.33Å; N54-C56 PolarHBondContact O-N 2.94Å; C56-Q60 VanDerWaalsContact O-CB 3.32Å; C56-Q60 WeakPolarHBondContact O-CB 3.46Å; C56-Q60 PolarHBondContact O-N 2.79Å; C56-F118 HydrophobicContact CB-CE2 4.29Å
57	A	88.4	Confident	79.8	Confident	58 Å²	58	59.7 Å²	59.7	48%	0.479	31%	0.311	S	S	.	.	H	α-helix	trans	-64.4	-43.6	178.6	0	0	0	0	0	112	N54 Q60 S61	N54-A57 PolarHBondContact O-N 3.24Å; A57-Q60 PolarHBondContact O-N 3.3Å; A57-S61 VanDerWaalsContact O-CB 3.31Å; A57-S61 WeakPolarHBondContact O-CB 3.19Å; A57-S61 PolarHBondContact O-N 3.42Å
58	N	89.1	Confident	82	Confident	30 Å²	30	57.2 Å²	57.2	16%	0.16	31%	0.309	C	S	.	.	H	α-helix	trans	-63	-45.8	178.7	-71.6	-15.1	0	0	0	111.5	N54 S61 I62 M88 I180	N54-N58 WeakPolarHBondContact O-CB 3.42Å; N54-N58 PolarHBondContact O-N 3.48Å; N54-N58 PolarHBondContact O-ND2 3.32Å; N54-N58 PolarHBondContact O-OD1 3.34Å; N58-S61 PolarHBondContact O-N 2.96Å; N58-I62 PolarHBondContact O-N 3.39Å; N58-I62 VanDerWaalsContact O-N 3.11Å; N58-M88 HydrophobicContact CB-CE 4.4Å; N58-I180 HydrophobicContact CB-CD1 3.84Å
59	Y	91.7	Very high	84	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-67.8	-41.8	178.3	-166.1	-97	0	0	0	112.2	F55 S61 I62 L63 L81 I84 F85 M88 F114 F118 Q122	F55-Y59 WeakPolarHBondContact O-CB 3.28Å; F55-Y59 PolarHBondContact O-N 2.88Å; F55-Y59 VanDerWaalsContact O-N 3.09Å; Y59-S61 VanDerWaalsContact C-N 3.28Å; Y59-S61 PolarHBondContact O-N 2.78Å; Y59-I62 PolarHBondContact O-N 2.76Å; Y59-L63 HydrophobicContact CD1-CD1 3.82Å; Y59-L63 HydrophobicContact CD1-CG 4.12Å; Y59-L63 HydrophobicContact CE1-CD1 3.65Å; Y59-L63 HydrophobicContact CE1-CD2 4.12Å; Y59-L63 HydrophobicContact CE1-CG 3.84Å; Y59-L63 PolarHBondContact O-N 2.96Å; Y59-L81 PolarHBondContact OH-O 2.89Å; Y59-I84 HydrophobicContact CD2-CG2 4.21Å; Y59-I84 HydrophobicContact CE2-CG2 4.18Å; Y59-F85 HydrophobicContact CE2-CB 3.75Å; Y59-M88 HydrophobicContact CD2-SD 3.82Å; Y59-M88 HydrophobicContact CG-SD 4.47Å; Y59-F114 HydrophobicContact CD1-CE2 4.49Å; Y59-F114 HydrophobicContact CD2-CZ 4.22Å; Y59-F114 HydrophobicContact CG-CE2 4.05Å; Y59-F114 HydrophobicContact CG-CZ 4.07Å; Y59-F118 HydrophobicContact CD1-CB 4.09Å; Y59-F118 AromaticContact CD1-CD1 3.42Å; Y59-F118 HydrophobicContact CD1-CD1 3.42Å; Y59-F118 VanDerWaalsContact CD1-CD1 3.42Å; Y59-F118 AromaticContact CD1-CD2 3.83Å; Y59-F118 HydrophobicContact CD1-CD2 3.83Å; Y59-F118 AromaticContact CD1-CE1 3.68Å; Y59-F118 HydrophobicContact CD1-CE1 3.68Å; Y59-F118 HydrophobicContact CD1-CE2 4.07Å; Y59-F118 AromaticContact CD1-CG 3.5Å; Y59-F118 HydrophobicContact CD1-CG 3.5Å; Y59-F118 VanDerWaalsContact CD1-CG 3.5Å; Y59-F118 AromaticContact CD1-CZ 3.99Å; Y59-F118 HydrophobicContact CD1-CZ 3.99Å; Y59-F118 HydrophobicContact CE1-CB 3.85Å; Y59-F118 AromaticContact CE1-CD1 3.73Å; Y59-F118 HydrophobicContact CE1-CD1 3.73Å; Y59-F118 HydrophobicContact CE1-CD2 4.45Å; Y59-F118 HydrophobicContact CE1-CE1 4.39Å; Y59-F118 AromaticContact CE1-CG 3.76Å; Y59-F118 HydrophobicContact CE1-CG 3.76Å; Y59-Q122 PolarHBondContact OH-NE2 2.91Å
60	Q	91.9	Very high	85.8	Confident	79 Å²	79	49.4 Å²	49.4	37%	0.369	28%	0.28	S	S	.	.	H	α-helix	trans	-60.1	-39.9	174.4	-176.4	61.5	45.8	0	0	111.7	C56 A57 I62 L63 T64 F118	C56-Q60 VanDerWaalsContact O-CB 3.32Å; C56-Q60 WeakPolarHBondContact O-CB 3.46Å; C56-Q60 PolarHBondContact O-N 2.79Å; A57-Q60 PolarHBondContact O-N 3.3Å; Q60-I62 VanDerWaalsContact C-N 3.34Å; Q60-I62 PolarHBondContact O-N 2.96Å; Q60-L63 PolarHBondContact O-N 3.09Å; Q60-T64 PolarHBondContact O-N 2.9Å; Q60-T64 PolarHBondContact O-OG1 3.18Å; Q60-T64 VanDerWaalsContact O-OG1 3.07Å; Q60-F118 HydrophobicContact CB-CE1 4.4Å; Q60-F118 HydrophobicContact CB-CZ 4.32Å
61	S	91.9	Very high	87.3	Confident	22 Å²	22	52.9 Å²	52.9	15%	0.154	30%	0.299	C	S	.	.	H	α-helix	trans	-65.8	-35	177.6	176.9	0	0	0	0	112.5	A57 N58 Y59 F65 F171 K175 M177	A57-S61 VanDerWaalsContact O-CB 3.31Å; A57-S61 WeakPolarHBondContact O-CB 3.19Å; A57-S61 PolarHBondContact O-N 3.42Å; N58-S61 PolarHBondContact O-N 2.96Å; Y59-S61 VanDerWaalsContact C-N 3.28Å; Y59-S61 PolarHBondContact O-N 2.78Å; S61-F65 WeakPolarHBondContact O-CB 3.44Å; S61-F65 PolarHBondContact O-N 3.19Å; S61-F65 VanDerWaalsContact O-N 3.08Å; S61-F171 WeakPolarHBondContact O-CZ 3.37Å; S61-K175 WeakPolarHBondContact OG-CD 3.37Å; S61-K175 PolarHBondContact OG-NZ 3.23Å; S61-M177 WeakPolarHBondContact OG-CE 3.17Å
62	I	92.8	Very high	88.2	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.015	29%	0.294	C	S	.	.	H	α-helix	trans	-67.6	-43.4	172.3	-73	177.3	0	0	0	111.2	N58 Y59 Q60 T64 F65 V66 L81 F171 L172 M177 I180	N58-I62 PolarHBondContact O-N 3.39Å; N58-I62 VanDerWaalsContact O-N 3.11Å; Y59-I62 PolarHBondContact O-N 2.76Å; Q60-I62 VanDerWaalsContact C-N 3.34Å; Q60-I62 PolarHBondContact O-N 2.96Å; I62-T64 PolarHBondContact O-N 2.92Å; I62-F65 WeakPolarHBondContact O-CB 3.43Å; I62-F65 PolarHBondContact O-N 3.35Å; I62-F65 VanDerWaalsContact O-N 3.16Å; I62-V66 HydrophobicContact CG2-CG2 4.3Å; I62-V66 WeakPolarHBondContact O-CG2 3.41Å; I62-V66 PolarHBondContact O-N 2.97Å; I62-L81 HydrophobicContact CG2-CD2 3.72Å; I62-F171 HydrophobicContact CG1-CE1 4.36Å; I62-L172 HydrophobicContact CD1-CD2 4.45Å; I62-M177 HydrophobicContact CD1-SD 4.45Å; I62-M177 HydrophobicContact CG1-SD 4.15Å; I62-I180 HydrophobicContact CD1-CB 4.17Å; I62-I180 HydrophobicContact CD1-CD1 3.34Å; I62-I180 HydrophobicContact CD1-CG1 3.57Å; I62-I180 HydrophobicContact CD1-CG2 3.78Å; I62-I180 HydrophobicContact CG1-CD1 4.28Å
63	L	92.9	Very high	89.2	Confident	9 Å²	9	51.9 Å²	51.9	5%	0.047	29%	0.294	C	S	.	.	H	α-helix	trans	-57.5	-50	176.7	-73.9	172.5	0	0	0	111	Y59 Q60 F65 V66 D67 L81 F118 Y121	Y59-L63 HydrophobicContact CD1-CD1 3.82Å; Y59-L63 HydrophobicContact CD1-CG 4.12Å; Y59-L63 HydrophobicContact CE1-CD1 3.65Å; Y59-L63 HydrophobicContact CE1-CD2 4.12Å; Y59-L63 HydrophobicContact CE1-CG 3.84Å; Y59-L63 PolarHBondContact O-N 2.96Å; Q60-L63 PolarHBondContact O-N 3.09Å; L63-F65 VanDerWaalsContact C-N 3.25Å; L63-F65 PolarHBondContact O-N 3.48Å; L63-V66 PolarHBondContact O-N 3.08Å; L63-D67 PolarHBondContact O-N 3.04Å; L63-L81 HydrophobicContact CD2-CD1 3.94Å; L63-L81 HydrophobicContact CD2-CD2 3.9Å; L63-F118 HydrophobicContact CD1-CD1 3.72Å; L63-F118 HydrophobicContact CD1-CE1 3.85Å; L63-Y121 HydrophobicContact CD1-CD2 3.98Å; L63-Y121 HydrophobicContact CD1-CE2 4.3Å; L63-Y121 HydrophobicContact CD1-CG 4.21Å
64	T	93.5	Very high	90.2	Very high	82 Å²	82	48.7 Å²	48.7	50%	0.503	28%	0.278	S	S	.	.	H	α-helix	trans	-59.6	-36.7	177	-54.1	0	0	0	0	112.1	Q60 I62 S68	Q60-T64 PolarHBondContact O-N 2.9Å; Q60-T64 PolarHBondContact O-OG1 3.18Å; Q60-T64 VanDerWaalsContact O-OG1 3.07Å; I62-T64 PolarHBondContact O-N 2.92Å; T64-S68 WeakPolarHBondContact O-CB 3.23Å; T64-S68 PolarHBondContact O-N 3.11Å; T64-S68 VanDerWaalsContact O-N 3.09Å; T64-S68 PolarHBondContact O-OG 2.91Å
65	F	93.5	Very high	90.6	Very high	22 Å²	22	47.1 Å²	47.1	10%	0.096	27%	0.271	C	S	.	.	H	α-helix	trans	-64.9	-51.7	175	168	-106.5	0	0	0	112.1	S61 I62 L63 D67 S68 V69 L77 L167 L168 F171	S61-F65 WeakPolarHBondContact O-CB 3.44Å; S61-F65 PolarHBondContact O-N 3.19Å; S61-F65 VanDerWaalsContact O-N 3.08Å; I62-F65 WeakPolarHBondContact O-CB 3.43Å; I62-F65 PolarHBondContact O-N 3.35Å; I62-F65 VanDerWaalsContact O-N 3.16Å; L63-F65 VanDerWaalsContact C-N 3.25Å; L63-F65 PolarHBondContact O-N 3.48Å; F65-D67 PolarHBondContact O-N 3.37Å; F65-S68 PolarHBondContact O-N 3.13Å; F65-S68 PolarHBondContact O-OG 3.24Å; F65-V69 HydrophobicContact CD2-CG2 4.1Å; F65-V69 HydrophobicContact CE1-CG2 4.16Å; F65-V69 HydrophobicContact CE2-CG2 3.67Å; F65-V69 HydrophobicContact CZ-CG2 3.71Å; F65-V69 WeakPolarHBondContact O-CG2 2.92Å; F65-V69 PolarHBondContact O-N 3.44Å; F65-L77 HydrophobicContact CE1-CD1 4.06Å; F65-L77 HydrophobicContact CZ-CD1 4.47Å; F65-L167 HydrophobicContact CZ-CB 4.39Å; F65-L168 HydrophobicContact CD1-CD1 4.27Å; F65-L168 HydrophobicContact CE1-CB 4.36Å; F65-L168 HydrophobicContact CE1-CD1 3.79Å; F65-F171 HydrophobicContact CB-CD1 4.12Å; F65-F171 HydrophobicContact CB-CD2 4.09Å; F65-F171 HydrophobicContact CB-CE1 3.67Å; F65-F171 HydrophobicContact CB-CE2 3.62Å; F65-F171 HydrophobicContact CB-CG 4.3Å; F65-F171 HydrophobicContact CB-CZ 3.38Å; F65-F171 AromaticContact CD1-CD1 3.9Å; F65-F171 HydrophobicContact CD1-CD1 3.9Å; F65-F171 HydrophobicContact CD1-CE1 4.21Å; F65-F171 HydrophobicContact CD1-CG 4.1Å; F65-F171 HydrophobicContact CD2-CB 3.91Å; F65-F171 HydrophobicContact CD2-CD1 4.06Å; F65-F171 AromaticContact CD2-CD2 3.32Å; F65-F171 HydrophobicContact CD2-CD2 3.32Å; F65-F171 HydrophobicContact CD2-CE1 4.41Å; F65-F171 AromaticContact CD2-CE2 3.72Å; F65-F171 HydrophobicContact CD2-CE2 3.72Å; F65-F171 AromaticContact CD2-CG 3.49Å; F65-F171 HydrophobicContact CD2-CG 3.49Å; F65-F171 VanDerWaalsContact CD2-CG 3.49Å; F65-F171 HydrophobicContact CD2-CZ 4.24Å; F65-F171 HydrophobicContact CE1-CB 4.25Å; F65-F171 HydrophobicContact CE1-CD1 4.34Å; F65-F171 HydrophobicContact CE1-CG 4.31Å; F65-F171 HydrophobicContact CE2-CB 3.58Å; F65-F171 HydrophobicContact CE2-CD1 4.48Å; F65-F171 AromaticContact CE2-CD2 3.86Å; F65-F171 HydrophobicContact CE2-CD2 3.86Å; F65-F171 AromaticContact CE2-CG 3.73Å; F65-F171 HydrophobicContact CE2-CG 3.73Å; F65-F171 HydrophobicContact CG-CB 4.37Å; F65-F171 AromaticContact CG-CD1 3.74Å; F65-F171 HydrophobicContact CG-CD1 3.74Å; F65-F171 AromaticContact CG-CD2 3.76Å; F65-F171 HydrophobicContact CG-CD2 3.76Å; F65-F171 AromaticContact CG-CE1 3.84Å; F65-F171 HydrophobicContact CG-CE1 3.84Å; F65-F171 AromaticContact CG-CE2 3.84Å; F65-F171 HydrophobicContact CG-CE2 3.84Å; F65-F171 AromaticContact CG-CG 3.68Å; F65-F171 HydrophobicContact CG-CG 3.68Å; F65-F171 AromaticContact CG-CZ 3.87Å; F65-F171 HydrophobicContact CG-CZ 3.87Å; F65-F171 HydrophobicContact CZ-CB 3.77Å; F65-F171 HydrophobicContact CZ-CG 4.14Å
66	V	92.6	Very high	90.8	Very high	6 Å²	6	46.6 Å²	46.6	4%	0.036	27%	0.269	C	S	.	.	H	α-helix	trans	-59.9	-35	179.9	174.9	0	0	0	0	111.2	I62 L63 K74 L77 L81	I62-V66 HydrophobicContact CG2-CG2 4.3Å; I62-V66 WeakPolarHBondContact O-CG2 3.41Å; I62-V66 PolarHBondContact O-N 2.97Å; L63-V66 PolarHBondContact O-N 3.08Å; V66-K74 HydrophobicContact CG1-CG 4.29Å; V66-L77 HydrophobicContact CG1-CB 4.29Å; V66-L77 HydrophobicContact CG2-CB 4.18Å; V66-L81 HydrophobicContact CG1-CD1 4.34Å; V66-L81 HydrophobicContact CG2-CD2 4.07Å
67	D	91.7	Very high	91.1	Very high	101 Å²	101	45 Å²	45	54%	0.54	26%	0.258	S	S	.	.	H	α-helix	trans	-71.8	-26.7	174.8	-80.7	-34.7	0	0	0	114.2	L63 F65 K74	L63-D67 PolarHBondContact O-N 3.04Å; F65-D67 PolarHBondContact O-N 3.37Å; D67-K74 VanDerWaalsContact OD1-CE 3.24Å; D67-K74 WeakPolarHBondContact OD1-CE 3.22Å; D67-K74 IonicContact OD1-NZ 2.79Å; D67-K74 PolarHBondContact OD1-NZ 3.48Å
68	S	92.8	Very high	91.2	Very high	88 Å²	88	43.7 Å²	43.7	62%	0.615	25%	0.245	S	C	*	.	H	α-helix	trans	-83	-17.5	179.7	71.5	0	0	0	0	114.5	T64 F65	T64-S68 WeakPolarHBondContact O-CB 3.23Å; T64-S68 PolarHBondContact O-N 3.11Å; T64-S68 VanDerWaalsContact O-N 3.09Å; T64-S68 PolarHBondContact O-OG 2.91Å; F65-S68 PolarHBondContact O-N 3.13Å; F65-S68 PolarHBondContact O-OG 3.24Å
69	V	92.6	Very high	91.3	Very high	12 Å²	12	42.9 Å²	42.9	7%	0.073	24%	0.241	C	C	.	.	S	Bend	trans	-77.6	147	-177.7	169.6	0	0	0	0	110.7	F65 H73 L77 L167	F65-V69 HydrophobicContact CD2-CG2 4.1Å; F65-V69 HydrophobicContact CE1-CG2 4.16Å; F65-V69 HydrophobicContact CE2-CG2 3.67Å; F65-V69 HydrophobicContact CZ-CG2 3.71Å; F65-V69 WeakPolarHBondContact O-CG2 2.92Å; F65-V69 PolarHBondContact O-N 3.44Å; V69-H73 HydrophobicContact CG1-CB 3.49Å; V69-H73 VanDerWaalsContact CG1-CB 3.49Å; V69-L77 HydrophobicContact CB-CD1 4.46Å; V69-L77 HydrophobicContact CG1-CD1 4Å; V69-L77 HydrophobicContact CG2-CD1 4.23Å; V69-L167 HydrophobicContact CG1-CD1 4.38Å
70	P	91.3	Very high	91.2	Very high	86 Å²	86	43.1 Å²	43.1	56%	0.558	24%	0.242	S	C	*	.			trans	-53.8	145.6	176.5	-26.7	34.8	0	0	0	113.5	M72 H73 K74	P70-M72 PolarHBondContact O-N 3.23Å; P70-H73 PolarHBondContact O-N 2.91Å; P70-K74 PolarHBondContact O-N 2.94Å
71	D	89	Confident	91.2	Very high	129 Å²	129	40.2 Å²	40.2	69%	0.69	23%	0.229	S	C	*	.	H	α-helix	trans	-50.4	-35.1	-173.9	-72.5	-17.2	0	0	0	114.1	H73 K74	D71-H73 PolarHBondContact O-N 3.24Å; D71-K74 PolarHBondContact O-N 2.97Å
72	M	85.6	Confident	91.2	Very high	101 Å²	101	39.4 Å²	39.4	50%	0.498	22%	0.223	S	C	.	.	H	α-helix	trans	-58.5	-43.1	178.5	-174.8	174.4	72.1	0	0	112.8	P70 P197	P70-M72 PolarHBondContact O-N 3.23Å; M72-P197 HydrophobicContact CE-CG 3.9Å; M72-P197 HydrophobicContact CG-CB 3.77Å; M72-P197 HydrophobicContact CG-CG 3.76Å; M72-P197 WeakPolarHBondContact O-CB 3.3Å; M72-P197 HydrophobicContact SD-CG 4.13Å
73	H	90.5	Very high	91.1	Very high	20 Å²	20	39.3 Å²	39.3	9%	0.093	22%	0.223	C	C	.	.	H	α-helix	trans	-90	-27	179	-56.2	-73.7	0	0	0	111.9	V69 P70 D71 V75 E76 L77 E163 S164 L167 P197	V69-H73 HydrophobicContact CG1-CB 3.49Å; V69-H73 VanDerWaalsContact CG1-CB 3.49Å; P70-H73 PolarHBondContact O-N 2.91Å; D71-H73 PolarHBondContact O-N 3.24Å; H73-V75 PolarHBondContact O-N 2.99Å; H73-E76 PolarHBondContact O-N 3.5Å; H73-E76 VanDerWaalsContact O-N 3.13Å; H73-L77 HydrophobicContact CB-CD1 4.44Å; H73-L77 WeakPolarHBondContact O-CG 3.02Å; H73-L77 PolarHBondContact O-N 2.91Å; H73-E163 IonicContact CE1-OE2 3.68Å; H73-S164 PolarHBondContact ND1-OG 3.29Å; H73-L167 HydrophobicContact CB-CD1 4.47Å; H73-P197 VanDerWaalsContact CE1-CG 3.48Å; H73-P197 WeakPolarHBondContact CE1-CG 3.17Å; H73-P197 WeakPolarHBondContact ND1-CG 3.35Å
74	K	91.9	Very high	91	Very high	62 Å²	62	39 Å²	39	27%	0.27	22%	0.221	S	C	.	.	H	α-helix	trans	-53.2	-41.7	179.9	-178.6	170.1	-174.7	164.7	0	112.3	V66 D67 P70 D71 S78	V66-K74 HydrophobicContact CG1-CG 4.29Å; D67-K74 VanDerWaalsContact OD1-CE 3.24Å; D67-K74 WeakPolarHBondContact OD1-CE 3.22Å; D67-K74 IonicContact OD1-NZ 2.79Å; D67-K74 PolarHBondContact OD1-NZ 3.48Å; P70-K74 PolarHBondContact O-N 2.94Å; D71-K74 PolarHBondContact O-N 2.97Å; K74-S78 VanDerWaalsContact O-CB 3.3Å; K74-S78 WeakPolarHBondContact O-CB 3.34Å; K74-S78 PolarHBondContact O-N 3.16Å; K74-S78 PolarHBondContact O-OG 3.08Å
75	V	88.5	Confident	90.9	Very high	33 Å²	33	35.2 Å²	35.2	20%	0.2	20%	0.197	C	C	.	.	H	α-helix	trans	-63.3	-42.5	179.7	175.6	0	0	0	0	112.3	H73 S78 K200 V203	H73-V75 PolarHBondContact O-N 2.99Å; V75-S78 PolarHBondContact O-OG 3.07Å; V75-K200 VanDerWaalsContact CG1-CA 3.48Å; V75-K200 HydrophobicContact CG1-CB 4.02Å; V75-K200 HydrophobicContact CG1-CG 4.43Å; V75-K200 HydrophobicContact CG2-CB 4.17Å; V75-V203 HydrophobicContact CG1-CB 4Å; V75-V203 HydrophobicContact CG1-CG1 4.3Å; V75-V203 HydrophobicContact CG1-CG2 3.88Å
76	E	89.2	Confident	90.6	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-73.9	-43.6	178.3	-65.6	-165	142.6	0	0	111.1	H73 S78 T79 V160 S161 S164 P197 R198 V203	H73-E76 PolarHBondContact O-N 3.5Å; H73-E76 VanDerWaalsContact O-N 3.13Å; E76-S78 VanDerWaalsContact C-N 3.28Å; E76-S78 PolarHBondContact O-N 2.88Å; E76-T79 WeakPolarHBondContact O-CB 3.07Å; E76-T79 WeakPolarHBondContact O-CG2 2.83Å; E76-T79 PolarHBondContact O-N 2.93Å; E76-T79 VanDerWaalsContact O-N 3.14Å; E76-T79 PolarHBondContact O-OG1 2.96Å; E76-V160 HydrophobicContact CB-CG1 4.49Å; E76-S161 VanDerWaalsContact OE2-CB 3.27Å; E76-S161 WeakPolarHBondContact OE2-CB 3.39Å; E76-S161 PolarHBondContact OE2-N 3.29Å; E76-S161 PolarHBondContact OE2-OG 3.44Å; E76-S164 WeakPolarHBondContact OE2-CB 3.18Å; E76-S164 PolarHBondContact OE2-OG 2.67Å; E76-P197 HydrophobicContact CG-CB 4.38Å; E76-R198 HydrophobicContact CG-CB 4.4Å; E76-R198 WeakPolarHBondContact OE1-CB 3.49Å; E76-R198 WeakPolarHBondContact OE1-CG 3.31Å; E76-R198 PolarHBondContact OE1-N 3.36Å; E76-R198 IonicContact OE1-NE 2.96Å; E76-R198 PolarHBondContact OE1-NE 3.34Å; E76-V203 HydrophobicContact CG-CG2 4.43Å
77	L	91.7	Very high	90.3	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-66.5	-30.6	-178.8	-67.1	-179.9	0	0	0	112.6	F65 V66 V69 H73 T79 L80 L168	F65-L77 HydrophobicContact CE1-CD1 4.06Å; F65-L77 HydrophobicContact CZ-CD1 4.47Å; V66-L77 HydrophobicContact CG1-CB 4.29Å; V66-L77 HydrophobicContact CG2-CB 4.18Å; V69-L77 HydrophobicContact CB-CD1 4.46Å; V69-L77 HydrophobicContact CG1-CD1 4Å; V69-L77 HydrophobicContact CG2-CD1 4.23Å; H73-L77 HydrophobicContact CB-CD1 4.44Å; H73-L77 WeakPolarHBondContact O-CG 3.02Å; H73-L77 PolarHBondContact O-N 2.91Å; L77-T79 PolarHBondContact O-N 2.59Å; L77-L80 HydrophobicContact CD2-CD1 4.32Å; L77-L80 WeakPolarHBondContact O-CB 3.39Å; L77-L80 PolarHBondContact O-N 2.75Å; L77-L80 VanDerWaalsContact O-N 3.15Å; L77-L168 HydrophobicContact CD2-CB 3.98Å; L77-L168 HydrophobicContact CD2-CD2 4.26Å
78	S	91.1	Very high	90.1	Very high	30 Å²	30	29.5 Å²	29.5	21%	0.21	17%	0.167	C	C	.	.	H	α-helix	trans	-62.9	-25.5	175.2	72.9	0	0	0	0	112.8	K74 V75 E76 L80 L81	K74-S78 VanDerWaalsContact O-CB 3.3Å; K74-S78 WeakPolarHBondContact O-CB 3.34Å; K74-S78 PolarHBondContact O-N 3.16Å; K74-S78 PolarHBondContact O-OG 3.08Å; V75-S78 PolarHBondContact O-OG 3.07Å; E76-S78 VanDerWaalsContact C-N 3.28Å; E76-S78 PolarHBondContact O-N 2.88Å; S78-L80 PolarHBondContact O-N 3.49Å; S78-L81 WeakPolarHBondContact O-CB 3.33Å; S78-L81 PolarHBondContact O-N 3.14Å; S78-L81 VanDerWaalsContact O-N 3.12Å
79	T	90	Very high	89.8	Confident	13 Å²	13	25.5 Å²	25.5	8%	0.08	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-24.1	176.7	69.4	0	0	0	0	113.2	E76 L77 P83 V158 V203	E76-T79 WeakPolarHBondContact O-CB 3.07Å; E76-T79 WeakPolarHBondContact O-CG2 2.83Å; E76-T79 PolarHBondContact O-N 2.93Å; E76-T79 VanDerWaalsContact O-N 3.14Å; E76-T79 PolarHBondContact O-OG1 2.96Å; L77-T79 PolarHBondContact O-N 2.59Å; T79-P83 VanDerWaalsContact O-CD 3.24Å; T79-P83 WeakPolarHBondContact O-CD 3.48Å; T79-V158 WeakPolarHBondContact OG1-CG1 3.45Å; T79-V203 HydrophobicContact CG2-CG1 3.38Å
80	L	90.8	Very high	89.3	Confident	4 Å²	4	25.7 Å²	25.7	2%	0.021	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-17.7	177.8	-64.8	169.5	0	0	0	112.8	L77 S78 F82 P83 I84 V158 V160 L168 L188 L190	L77-L80 HydrophobicContact CD2-CD1 4.32Å; L77-L80 WeakPolarHBondContact O-CB 3.39Å; L77-L80 PolarHBondContact O-N 2.75Å; L77-L80 VanDerWaalsContact O-N 3.15Å; S78-L80 PolarHBondContact O-N 3.49Å; L80-F82 PolarHBondContact O-N 3.37Å; L80-P83 VanDerWaalsContact O-CD 3.3Å; L80-P83 WeakPolarHBondContact O-CD 3.33Å; L80-P83 WeakPolarHBondContact O-CG 3.44Å; L80-I84 HydrophobicContact CB-CD1 4Å; L80-I84 WeakPolarHBondContact O-CB 3.32Å; L80-I84 WeakPolarHBondContact O-CD1 3.46Å; L80-I84 WeakPolarHBondContact O-CG1 3.46Å; L80-I84 PolarHBondContact O-N 2.97Å; L80-I84 VanDerWaalsContact O-N 3.13Å; L80-V158 HydrophobicContact CD2-CB 3.87Å; L80-V158 HydrophobicContact CD2-CG1 3.72Å; L80-V158 HydrophobicContact CD2-CG2 3.95Å; L80-V158 HydrophobicContact CG-CG1 4.25Å; L80-V160 HydrophobicContact CD1-CG2 4.32Å; L80-L168 HydrophobicContact CD1-CD2 3.44Å; L80-L168 VanDerWaalsContact CD1-CD2 3.44Å; L80-L188 HydrophobicContact CD2-CD1 4.27Å; L80-L190 HydrophobicContact CD2-CD2 3.58Å
81	L	92.7	Very high	88.7	Confident	19 Å²	19	23.6 Å²	23.6	10%	0.099	12%	0.12	C	C	.	.	H	α-helix	trans	-63.3	-41.7	-174.6	-68.2	176.2	0	0	0	112.9	Y59 I62 L63 V66 S78 F85	Y59-L81 PolarHBondContact OH-O 2.89Å; I62-L81 HydrophobicContact CG2-CD2 3.72Å; L63-L81 HydrophobicContact CD2-CD1 3.94Å; L63-L81 HydrophobicContact CD2-CD2 3.9Å; V66-L81 HydrophobicContact CG1-CD1 4.34Å; V66-L81 HydrophobicContact CG2-CD2 4.07Å; S78-L81 WeakPolarHBondContact O-CB 3.33Å; S78-L81 PolarHBondContact O-N 3.14Å; S78-L81 VanDerWaalsContact O-N 3.12Å; L81-F85 WeakPolarHBondContact O-CB 3.47Å; L81-F85 PolarHBondContact O-N 3.15Å
82	F	91.4	Very high	88.3	Confident	5 Å²	5	17.7 Å²	17.7	2%	0.022	9%	0.089	C	C	.	.	H	α-helix	trans	-66.5	-54.9	179.4	176.1	-104.5	0	0	0	113.1	L80 I84 F85 V86 Y126 I130 F151 F156	L80-F82 PolarHBondContact O-N 3.37Å; F82-I84 VanDerWaalsContact C-N 3.31Å; F82-I84 PolarHBondContact O-N 3.14Å; F82-F85 WeakPolarHBondContact O-CB 3.24Å; F82-F85 PolarHBondContact O-N 2.92Å; F82-F85 VanDerWaalsContact O-N 3.14Å; F82-V86 HydrophobicContact CD1-CG2 4.48Å; F82-V86 HydrophobicContact CD2-CG2 4.12Å; F82-V86 HydrophobicContact CE1-CG2 4.05Å; F82-V86 HydrophobicContact CE2-CG2 3.64Å; F82-V86 HydrophobicContact CZ-CG2 3.62Å; F82-V86 WeakPolarHBondContact O-CG2 3.35Å; F82-V86 PolarHBondContact O-N 3.15Å; F82-Y126 HydrophobicContact CB-CD2 4.03Å; F82-Y126 HydrophobicContact CB-CE2 3.76Å; F82-Y126 HydrophobicContact CD1-CD1 4Å; F82-Y126 HydrophobicContact CD1-CD2 4.14Å; F82-Y126 AromaticContact CD1-CE1 3.7Å; F82-Y126 HydrophobicContact CD1-CE1 3.7Å; F82-Y126 AromaticContact CD1-CE2 3.83Å; F82-Y126 HydrophobicContact CD1-CE2 3.83Å; F82-Y126 HydrophobicContact CD1-CG 4.21Å; F82-Y126 AromaticContact CD1-CZ 3.59Å; F82-Y126 HydrophobicContact CD2-CD1 4.11Å; F82-Y126 AromaticContact CD2-CD2 3.58Å; F82-Y126 HydrophobicContact CD2-CD2 3.58Å; F82-Y126 HydrophobicContact CD2-CE2 4.07Å; F82-Y126 AromaticContact CD2-CG 3.6Å; F82-Y126 HydrophobicContact CD2-CG 3.6Å; F82-Y126 AromaticContact CE1-CD1 3.64Å; F82-Y126 HydrophobicContact CE1-CD1 3.64Å; F82-Y126 AromaticContact CE1-CE1 3.56Å; F82-Y126 HydrophobicContact CE1-CE1 3.56Å; F82-Y126 HydrophobicContact CE1-CE2 4.45Å; F82-Y126 HydrophobicContact CE1-CG 4.15Å; F82-Y126 AromaticContact CE1-CZ 3.97Å; F82-Y126 AromaticContact CE2-CD1 3.77Å; F82-Y126 HydrophobicContact CE2-CD1 3.77Å; F82-Y126 HydrophobicContact CE2-CD2 4.04Å; F82-Y126 HydrophobicContact CE2-CE1 4.45Å; F82-Y126 AromaticContact CE2-CG 3.53Å; F82-Y126 HydrophobicContact CE2-CG 3.53Å; F82-Y126 HydrophobicContact CG-CD1 4.21Å; F82-Y126 AromaticContact CG-CD2 3.63Å; F82-Y126 HydrophobicContact CG-CD2 3.63Å; F82-Y126 HydrophobicContact CG-CE1 4.21Å; F82-Y126 AromaticContact CG-CE2 3.6Å; F82-Y126 HydrophobicContact CG-CE2 3.6Å; F82-Y126 AromaticContact CG-CG 3.94Å; F82-Y126 HydrophobicContact CG-CG 3.94Å; F82-Y126 AromaticContact CG-CZ 3.89Å; F82-Y126 AromaticContact CZ-CD1 3.5Å; F82-Y126 HydrophobicContact CZ-CD1 3.5Å; F82-Y126 HydrophobicContact CZ-CD2 4.48Å; F82-Y126 AromaticContact CZ-CE1 3.95Å; F82-Y126 HydrophobicContact CZ-CE1 3.95Å; F82-Y126 AromaticContact CZ-CG 3.81Å; F82-Y126 HydrophobicContact CZ-CG 3.81Å; F82-I130 HydrophobicContact CE2-CG1 4.44Å; F82-F151 HydrophobicContact CE1-CE1 4.42Å; F82-F151 HydrophobicContact CE1-CZ 4.15Å; F82-F151 HydrophobicContact CZ-CZ 4.29Å; F82-F156 HydrophobicContact CD1-CE2 4.27Å; F82-F156 HydrophobicContact CD1-CZ 4.22Å; F82-F156 HydrophobicContact CE1-CE2 4.33Å
83	P	90	Very high	88	Confident	1 Å²	1	13 Å²	13	1%	0.006	7%	0.066	C	C	.	.	H	α-helix	trans	-63.2	-37.6	179.7	24.7	-35	0	0	0	112.3	T79 L80 F85 V86 H87 F156 V158 L188	T79-P83 VanDerWaalsContact O-CD 3.24Å; T79-P83 WeakPolarHBondContact O-CD 3.48Å; L80-P83 VanDerWaalsContact O-CD 3.3Å; L80-P83 WeakPolarHBondContact O-CD 3.33Å; L80-P83 WeakPolarHBondContact O-CG 3.44Å; P83-F85 VanDerWaalsContact C-N 3.35Å; P83-F85 PolarHBondContact O-N 3.3Å; P83-V86 PolarHBondContact O-N 3.4Å; P83-H87 WeakPolarHBondContact O-CB 3.2Å; P83-H87 PolarHBondContact O-CD2 2.89Å; P83-H87 PolarHBondContact O-N 3.1Å; P83-F156 HydrophobicContact CB-CB 4.4Å; P83-F156 HydrophobicContact CB-CD1 3.51Å; P83-F156 HydrophobicContact CB-CD2 4.32Å; P83-F156 HydrophobicContact CB-CE1 3.73Å; P83-F156 HydrophobicContact CB-CE2 4.49Å; P83-F156 HydrophobicContact CB-CG 3.83Å; P83-F156 HydrophobicContact CB-CZ 4.22Å; P83-F156 HydrophobicContact CG-CD1 3.7Å; P83-F156 HydrophobicContact CG-CE1 3.54Å; P83-F156 HydrophobicContact CG-CZ 4.23Å; P83-V158 HydrophobicContact CG-CG2 4.41Å; P83-L188 HydrophobicContact CB-CD1 4.42Å; P83-L188 HydrophobicContact CB-CD2 3.67Å; P83-L188 HydrophobicContact CG-CD1 4.4Å; P83-L188 HydrophobicContact CG-CD2 4.4Å
84	I	90.6	Very high	87.2	Confident	3 Å²	3	12.9 Å²	12.9	2%	0.015	7%	0.067	C	C	.	.	H	α-helix	trans	-61.3	-45.2	173.8	-66.1	169	0	0	0	110.4	Y59 L80 F82 H87 M88 I180 L184 L188	Y59-I84 HydrophobicContact CD2-CG2 4.21Å; Y59-I84 HydrophobicContact CE2-CG2 4.18Å; L80-I84 HydrophobicContact CB-CD1 4Å; L80-I84 WeakPolarHBondContact O-CB 3.32Å; L80-I84 WeakPolarHBondContact O-CD1 3.46Å; L80-I84 WeakPolarHBondContact O-CG1 3.46Å; L80-I84 PolarHBondContact O-N 2.97Å; L80-I84 VanDerWaalsContact O-N 3.13Å; F82-I84 VanDerWaalsContact C-N 3.31Å; F82-I84 PolarHBondContact O-N 3.14Å; I84-H87 PolarHBondContact O-N 3.28Å; I84-M88 HydrophobicContact CG2-CG 4.25Å; I84-M88 HydrophobicContact CG2-SD 3.85Å; I84-M88 WeakPolarHBondContact O-CB 3.14Å; I84-M88 VanDerWaalsContact O-CG 3.27Å; I84-M88 WeakPolarHBondContact O-CG 3.3Å; I84-M88 PolarHBondContact O-N 2.88Å; I84-I180 HydrophobicContact CD1-CG2 4.35Å; I84-I180 HydrophobicContact CG2-CG1 4.31Å; I84-L184 HydrophobicContact CD1-CD2 4.12Å; I84-L184 HydrophobicContact CG1-CD2 4.3Å; I84-L188 HydrophobicContact CG1-CD1 4.48Å
85	F	91.3	Very high	86	Confident	1 Å²	1	10.8 Å²	10.8	0%	0.004	6%	0.063	C	C	.	.	H	α-helix	trans	-58	-49.7	177.1	168	-104.8	0	0	0	112.4	Y59 L81 F82 P83 M88 Y89 F114 L115 F118 Q122 I130	Y59-F85 HydrophobicContact CE2-CB 3.75Å; L81-F85 WeakPolarHBondContact O-CB 3.47Å; L81-F85 PolarHBondContact O-N 3.15Å; F82-F85 WeakPolarHBondContact O-CB 3.24Å; F82-F85 PolarHBondContact O-N 2.92Å; F82-F85 VanDerWaalsContact O-N 3.14Å; P83-F85 VanDerWaalsContact C-N 3.35Å; P83-F85 PolarHBondContact O-N 3.3Å; F85-M88 PolarHBondContact O-N 2.89Å; F85-Y89 WeakPolarHBondContact O-CB 3.33Å; F85-Y89 PolarHBondContact O-N 2.84Å; F85-F114 HydrophobicContact CD2-CD1 4.26Å; F85-F114 AromaticContact CD2-CE1 3.37Å; F85-F114 HydrophobicContact CD2-CE1 3.37Å; F85-F114 AromaticContact CD2-CZ 3.77Å; F85-F114 HydrophobicContact CD2-CZ 3.77Å; F85-F114 AromaticContact CE2-CD1 3.9Å; F85-F114 HydrophobicContact CE2-CD1 3.9Å; F85-F114 AromaticContact CE2-CE1 3.48Å; F85-F114 HydrophobicContact CE2-CE1 3.48Å; F85-F114 VanDerWaalsContact CE2-CE1 3.48Å; F85-F114 HydrophobicContact CE2-CZ 4.22Å; F85-F114 HydrophobicContact CG-CE1 4.38Å; F85-L115 HydrophobicContact CZ-CG 4.45Å; F85-F118 HydrophobicContact CD2-CB 3.97Å; F85-F118 HydrophobicContact CE2-CB 3.77Å; F85-Q122 HydrophobicContact CD1-CG 4.15Å; F85-Q122 HydrophobicContact CE1-CG 4.33Å; F85-I130 HydrophobicContact CE1-CG1 4.25Å
86	V	88.3	Confident	84.5	Confident	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-62.6	-47	-179.9	175.7	0	0	0	0	110.7	F82 P83 Y89 L90 L133 F151	F82-V86 HydrophobicContact CD1-CG2 4.48Å; F82-V86 HydrophobicContact CD2-CG2 4.12Å; F82-V86 HydrophobicContact CE1-CG2 4.05Å; F82-V86 HydrophobicContact CE2-CG2 3.64Å; F82-V86 HydrophobicContact CZ-CG2 3.62Å; F82-V86 WeakPolarHBondContact O-CG2 3.35Å; F82-V86 PolarHBondContact O-N 3.15Å; P83-V86 PolarHBondContact O-N 3.4Å; V86-Y89 WeakPolarHBondContact O-CB 3.34Å; V86-Y89 PolarHBondContact O-N 2.65Å; V86-L90 HydrophobicContact CG1-CD1 3.97Å; V86-L90 HydrophobicContact CG1-CG 4.29Å; V86-L90 VanDerWaalsContact O-CG 3.31Å; V86-L90 WeakPolarHBondContact O-CG 3.33Å; V86-L90 PolarHBondContact O-N 3.38Å; V86-L133 HydrophobicContact CG1-CD1 4.18Å; V86-L133 HydrophobicContact CG1-CD2 4.48Å; V86-L133 HydrophobicContact CG2-CD1 3.84Å; V86-F151 HydrophobicContact CG1-CD1 4.47Å; V86-F151 HydrophobicContact CG1-CD2 4.46Å; V86-F151 HydrophobicContact CG1-CE1 4.42Å; V86-F151 HydrophobicContact CG1-CE2 4.43Å; V86-F151 HydrophobicContact CG1-CG 4.5Å; V86-F151 HydrophobicContact CG1-CZ 4.4Å
87	H	85.6	Confident	82.8	Confident	9 Å²	9	12.6 Å²	12.6	4%	0.042	7%	0.071	C	C	.	.	H	α-helix	trans	-69.5	-34.3	-178.6	-73.4	-62.8	0	0	0	113.1	P83 I84 R91 I183 Q187	P83-H87 WeakPolarHBondContact O-CB 3.2Å; P83-H87 PolarHBondContact O-CD2 2.89Å; P83-H87 PolarHBondContact O-N 3.1Å; I84-H87 PolarHBondContact O-N 3.28Å; H87-R91 VanDerWaalsContact O-CB 3.31Å; H87-R91 WeakPolarHBondContact O-CB 3.38Å; H87-R91 PolarHBondContact O-N 2.85Å; H87-I183 HydrophobicContact CB-CD1 4.32Å; H87-I183 HydrophobicContact CB-CG1 4.39Å; H87-I183 HydrophobicContact CB-CG2 3.77Å; H87-Q187 PolarHBondContact CE1-OE1 3.39Å; H87-Q187 PolarHBondContact ND1-OE1 2.93Å
88	M	86.9	Confident	80.9	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64	-43.6	170.5	-75.4	-175	75.4	0	0	111.6	F55 N58 Y59 I84 F85 R91 L92 F114 I180 I183	F55-M88 HydrophobicContact CB-CE 3.79Å; F55-M88 HydrophobicContact CD1-CB 4.23Å; F55-M88 HydrophobicContact CD1-CE 3.54Å; F55-M88 HydrophobicContact CD1-CG 4.4Å; F55-M88 HydrophobicContact CE1-CE 4.48Å; F55-M88 HydrophobicContact CG-CE 3.99Å; F55-M88 WeakPolarHBondContact O-CE 3.32Å; N58-M88 HydrophobicContact CB-CE 4.4Å; Y59-M88 HydrophobicContact CD2-SD 3.82Å; Y59-M88 HydrophobicContact CG-SD 4.47Å; I84-M88 HydrophobicContact CG2-CG 4.25Å; I84-M88 HydrophobicContact CG2-SD 3.85Å; I84-M88 WeakPolarHBondContact O-CB 3.14Å; I84-M88 VanDerWaalsContact O-CG 3.27Å; I84-M88 WeakPolarHBondContact O-CG 3.3Å; I84-M88 PolarHBondContact O-N 2.88Å; F85-M88 PolarHBondContact O-N 2.89Å; M88-R91 PolarHBondContact O-N 3.02Å; M88-L92 WeakPolarHBondContact O-CG 3.34Å; M88-L92 PolarHBondContact O-N 3.16Å; M88-F114 HydrophobicContact CB-CE1 4.23Å; M88-F114 HydrophobicContact CB-CZ 3.87Å; M88-F114 HydrophobicContact CE-CE2 4.39Å; M88-F114 HydrophobicContact SD-CZ 4.49Å; M88-I180 HydrophobicContact SD-CG1 4.28Å; M88-I183 HydrophobicContact CG-CD1 3.59Å
89	Y	87.4	Confident	79.2	Confident	4 Å²	4	15.8 Å²	15.8	2%	0.016	10%	0.096	C	C	.	.	H	α-helix	trans	-61.4	-48.9	175.1	177.2	-106.5	0	0	0	111.8	F85 V86 R91 L92 V93 A111 F114 L115 L133 I136	F85-Y89 WeakPolarHBondContact O-CB 3.33Å; F85-Y89 PolarHBondContact O-N 2.84Å; V86-Y89 WeakPolarHBondContact O-CB 3.34Å; V86-Y89 PolarHBondContact O-N 2.65Å; Y89-R91 VanDerWaalsContact C-N 3.26Å; Y89-R91 PolarHBondContact O-N 3.1Å; Y89-L92 WeakPolarHBondContact O-CB 3.39Å; Y89-L92 PolarHBondContact O-N 3.14Å; Y89-L92 VanDerWaalsContact O-N 3.15Å; Y89-V93 HydrophobicContact CD1-CG2 4.37Å; Y89-V93 HydrophobicContact CD2-CG2 4.37Å; Y89-V93 HydrophobicContact CE1-CG2 3.97Å; Y89-V93 HydrophobicContact CE2-CG2 3.97Å; Y89-V93 WeakPolarHBondContact O-CG2 3.42Å; Y89-V93 PolarHBondContact O-N 3.21Å; Y89-A111 HydrophobicContact CD2-CB 4.35Å; Y89-A111 HydrophobicContact CE2-CB 4.02Å; Y89-F114 HydrophobicContact CD2-CD1 4.39Å; Y89-L115 HydrophobicContact CD2-CB 4.22Å; Y89-L115 HydrophobicContact CD2-CD1 4.21Å; Y89-L115 HydrophobicContact CE1-CD1 4.2Å; Y89-L115 HydrophobicContact CE2-CB 3.99Å; Y89-L115 HydrophobicContact CE2-CD1 3.68Å; Y89-L115 HydrophobicContact CE2-CG 4.49Å; Y89-L133 HydrophobicContact CD1-CD2 4.48Å; Y89-L133 HydrophobicContact CE1-CB 4.25Å; Y89-L133 PolarHBondContact OH-O 2.67Å; Y89-I136 PolarHBondContact OH-O 3.13Å
90	L	81.7	Confident	77.7	Confident	17 Å²	17	23.1 Å²	23.1	9%	0.089	13%	0.129	C	C	.	.	H	α-helix	trans	-60.4	-36.6	177.5	-69.3	176.8	0	0	0	112	V86 V93 S94 L142 I148	V86-L90 HydrophobicContact CG1-CD1 3.97Å; V86-L90 HydrophobicContact CG1-CG 4.29Å; V86-L90 VanDerWaalsContact O-CG 3.31Å; V86-L90 WeakPolarHBondContact O-CG 3.33Å; V86-L90 PolarHBondContact O-N 3.38Å; L90-V93 PolarHBondContact O-N 2.94Å; L90-S94 VanDerWaalsContact O-CB 3.3Å; L90-S94 WeakPolarHBondContact O-CB 3.14Å; L90-S94 PolarHBondContact O-N 3.43Å; L90-S94 PolarHBondContact O-OG 3.33Å; L90-L142 HydrophobicContact CD2-CD2 4.03Å; L90-I148 HydrophobicContact CD2-CD1 3.67Å; L90-I148 HydrophobicContact CD2-CG1 3.95Å
91	R	79.3	Confident	76.3	Confident	42 Å²	42	25.7 Å²	25.7	16%	0.158	16%	0.157	C	C	.	.	H	α-helix	trans	-63.5	-46.1	175.2	-165.6	172.8	-167	144.4	16.9	111.3	F55 H87 M88 Y89 V93 S94 G95	F55-R91 HydrophobicContact CE1-CB 4.21Å; F55-R91 HydrophobicContact CE1-CG 4.21Å; F55-R91 HydrophobicContact CZ-CG 4.26Å; H87-R91 VanDerWaalsContact O-CB 3.31Å; H87-R91 WeakPolarHBondContact O-CB 3.38Å; H87-R91 PolarHBondContact O-N 2.85Å; M88-R91 PolarHBondContact O-N 3.02Å; Y89-R91 VanDerWaalsContact C-N 3.26Å; Y89-R91 PolarHBondContact O-N 3.1Å; R91-V93 PolarHBondContact O-N 3.34Å; R91-S94 WeakPolarHBondContact CA-OG 3.41Å; R91-S94 PolarHBondContact O-N 3.37Å; R91-S94 PolarHBondContact O-OG 3Å; R91-G95 PolarHBondContact O-N 3.29Å
92	L	80.5	Confident	75	Confident	5 Å²	5	31.6 Å²	31.6	3%	0.026	19%	0.189	C	C	.	.	H	α-helix	trans	-59.8	-44.8	175.2	-72.5	170.8	0	0	0	112.3	P52 F55 M88 Y89 G95 A111 F114	P52-L92 HydrophobicContact CB-CD2 4.09Å; F55-L92 HydrophobicContact CB-CD1 4.17Å; F55-L92 HydrophobicContact CB-CD2 4.25Å; F55-L92 HydrophobicContact CB-CG 4.5Å; F55-L92 HydrophobicContact CD1-CD1 4.17Å; F55-L92 HydrophobicContact CD1-CD2 3.92Å; F55-L92 HydrophobicContact CD1-CG 3.8Å; F55-L92 HydrophobicContact CD2-CD2 3.74Å; F55-L92 HydrophobicContact CE1-CD2 4.17Å; F55-L92 HydrophobicContact CE1-CG 4.11Å; F55-L92 HydrophobicContact CE2-CD2 3.99Å; F55-L92 HydrophobicContact CG-CD1 4.24Å; F55-L92 HydrophobicContact CG-CD2 3.71Å; F55-L92 HydrophobicContact CG-CG 4.04Å; F55-L92 HydrophobicContact CZ-CD2 4.2Å; M88-L92 WeakPolarHBondContact O-CG 3.34Å; M88-L92 PolarHBondContact O-N 3.16Å; Y89-L92 WeakPolarHBondContact O-CB 3.39Å; Y89-L92 PolarHBondContact O-N 3.14Å; Y89-L92 VanDerWaalsContact O-N 3.15Å; L92-G95 PolarHBondContact O-N 2.91Å; L92-A111 HydrophobicContact CB-CB 4.05Å; L92-F114 HydrophobicContact CD1-CB 4.03Å; L92-F114 HydrophobicContact CD1-CD1 4.31Å; L92-F114 HydrophobicContact CD1-CD2 4.42Å; L92-F114 HydrophobicContact CD1-CG 4.01Å
93	V	79.7	Confident	73.9	Confident	2 Å²	2	36 Å²	36	1%	0.012	21%	0.208	C	C	.	.	H	α-helix	trans	-69.7	-35.2	179.1	-172.5	0	0	0	0	111.6	Y89 L90 R91 G95 N96 A111 L142	Y89-V93 HydrophobicContact CD1-CG2 4.37Å; Y89-V93 HydrophobicContact CD2-CG2 4.37Å; Y89-V93 HydrophobicContact CE1-CG2 3.97Å; Y89-V93 HydrophobicContact CE2-CG2 3.97Å; Y89-V93 WeakPolarHBondContact O-CG2 3.42Å; Y89-V93 PolarHBondContact O-N 3.21Å; L90-V93 PolarHBondContact O-N 2.94Å; R91-V93 PolarHBondContact O-N 3.34Å; V93-G95 VanDerWaalsContact C-N 3.33Å; V93-N96 VanDerWaalsContact O-CB 3.3Å; V93-N96 WeakPolarHBondContact O-CB 3.47Å; V93-N96 VanDerWaalsContact O-CG 3.28Å; V93-N96 PolarHBondContact O-N 3.38Å; V93-N96 PolarHBondContact O-ND2 3.35Å; V93-N96 VanDerWaalsContact O-ND2 3.15Å; V93-A111 HydrophobicContact CG2-CB 4.1Å; V93-L142 HydrophobicContact CB-CD1 4.03Å; V93-L142 HydrophobicContact CG1-CD1 3.43Å; V93-L142 VanDerWaalsContact CG1-CD1 3.43Å
94	S	72.3	Confident	72.8	Confident	18 Å²	18	38.5 Å²	38.5	13%	0.126	22%	0.22	C	C	.	.	H	α-helix	trans	-70.6	-26	176.4	70.7	0	0	0	0	113.7	L90 R91 N96 I97	L90-S94 VanDerWaalsContact O-CB 3.3Å; L90-S94 WeakPolarHBondContact O-CB 3.14Å; L90-S94 PolarHBondContact O-N 3.43Å; L90-S94 PolarHBondContact O-OG 3.33Å; R91-S94 WeakPolarHBondContact CA-OG 3.41Å; R91-S94 PolarHBondContact O-N 3.37Å; R91-S94 PolarHBondContact O-OG 3Å; S94-N96 PolarHBondContact O-N 3.48Å; S94-N96 VanDerWaalsContact O-N 3.1Å; S94-I97 WeakPolarHBondContact O-CG1 3.44Å; S94-I97 PolarHBondContact O-N 2.8Å
95	G	66.9	Low	71.9	Confident	18 Å²	18	46.4 Å²	46.4	19%	0.186	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-60.4	-18.6	175.4	0	0	0	0	0	113.7	R91 L92 V93 I97 C98	R91-G95 PolarHBondContact O-N 3.29Å; L92-G95 PolarHBondContact O-N 2.91Å; V93-G95 VanDerWaalsContact C-N 3.33Å; G95-I97 PolarHBondContact O-N 3.4Å; G95-C98 PolarHBondContact O-N 3.18Å
96	N	57	Low	71	Confident	13 Å²	13	50.6 Å²	50.6	7%	0.07	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-60.8	-12.9	176.9	-68.9	-19.3	0	0	0	114.3	V93 S94 I104 L107 I108	V93-N96 VanDerWaalsContact O-CB 3.3Å; V93-N96 WeakPolarHBondContact O-CB 3.47Å; V93-N96 VanDerWaalsContact O-CG 3.28Å; V93-N96 PolarHBondContact O-N 3.38Å; V93-N96 PolarHBondContact O-ND2 3.35Å; V93-N96 VanDerWaalsContact O-ND2 3.15Å; S94-N96 PolarHBondContact O-N 3.48Å; S94-N96 VanDerWaalsContact O-N 3.1Å; N96-I104 HydrophobicContact CB-CG2 4.23Å; N96-L107 WeakPolarHBondContact OD1-CB 3.15Å; N96-I108 WeakPolarHBondContact ND2-CG1 3.25Å
97	I	54.1	Low	70.3	Confident	59 Å²	59	51.1 Å²	51.1	30%	0.303	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-77.2	-23.7	-178	-59.4	168.4	0	0	0	111.8	L42 S94 G95 S139	L42-I97 HydrophobicContact CB-CD1 3.92Å; L42-I97 HydrophobicContact CD1-CD1 4.07Å; L42-I97 HydrophobicContact CD2-CD1 3.67Å; L42-I97 HydrophobicContact CG-CD1 4.09Å; S94-I97 WeakPolarHBondContact O-CG1 3.44Å; S94-I97 PolarHBondContact O-N 2.8Å; G95-I97 PolarHBondContact O-N 3.4Å; I97-S139 VanDerWaalsContact CD1-OG 3.32Å; I97-S139 WeakPolarHBondContact CD1-OG 3.35Å; I97-S139 VanDerWaalsContact CG1-OG 3.27Å; I97-S139 WeakPolarHBondContact CG1-OG 3.09Å
98	C	51.7	Low	69.9	Low	77 Å²	77	52.8 Å²	52.8	52%	0.52	28%	0.28	S	S	.	.	S	Bend	trans	-109.2	7.9	-169.3	-64.2	0	0	0	0	115.1	G95	G95-C98 PolarHBondContact O-N 3.18Å
99	G	56.1	Low	69.6	Low	21 Å²	21	58 Å²	58	22%	0.216	31%	0.305	C	S	.	.	S	Bend	trans	-110	153.6	-172	0	0	0	0	0	115.9	I104	G99-I104 VanDerWaalsContact O-CD1 3.29Å; G99-I104 WeakPolarHBondContact O-CD1 3.32Å; G99-I104 WeakPolarHBondContact O-CG1 3.31Å
100	E	57.9	Low	69.4	Low	168 Å²	168	58.6 Å²	58.6	79%	0.785	31%	0.311	S	S	*	.			trans	-66.2	156.3	163.3	-65.4	-179.3	170.6	0	0	110.8	N102 F103 I104	E100-N102 PolarHBondContact O-N 2.93Å; E100-F103 WeakPolarHBondContact O-CA 3.23Å; E100-F103 WeakPolarHBondContact O-CB 3.45Å; E100-F103 PolarHBondContact O-N 3.39Å; E100-I104 PolarHBondContact O-N 2.81Å
101	G	61.5	Low	69.5	Low	58 Å²	58	58 Å²	58	60%	0.598	31%	0.309	S	S	*	.	H	α-helix	trans	-51.3	-35	-170.6	0	0	0	0	0	115.7	R105	G101-R105 PolarHBondContact O-N 3.05Å
102	N	65.2	Low	69.8	Low	143 Å²	143	61.3 Å²	61.3	77%	0.765	32%	0.324	S	S	*	.	H	α-helix	trans	-70.9	-38.3	174.7	-71.8	-19.6	0	0	0	112.6	E100 R105 F106	E100-N102 PolarHBondContact O-N 2.93Å; N102-R105 PolarHBondContact O-N 3.13Å; N102-F106 PolarHBondContact O-N 3Å; N102-F106 VanDerWaalsContact O-N 3.08Å
103	F	67.8	Low	70.1	Confident	98 Å²	98	67.9 Å²	67.9	43%	0.43	35%	0.353	S	S	.	.	H	α-helix	trans	-69	-37.7	176.7	-167	-104.4	0	0	0	111.7	E100 R105 F106 L107	E100-F103 WeakPolarHBondContact O-CA 3.23Å; E100-F103 WeakPolarHBondContact O-CB 3.45Å; E100-F103 PolarHBondContact O-N 3.39Å; F103-R105 VanDerWaalsContact C-N 3.34Å; F103-R105 PolarHBondContact O-N 2.98Å; F103-F106 WeakPolarHBondContact O-CB 3.14Å; F103-F106 PolarHBondContact O-N 3.24Å; F103-L107 HydrophobicContact CD1-CD1 3.56Å; F103-L107 HydrophobicContact CD1-CG 4.11Å; F103-L107 HydrophobicContact CE1-CD1 3.51Å; F103-L107 HydrophobicContact CE1-CD2 4.31Å; F103-L107 HydrophobicContact CE1-CG 3.95Å; F103-L107 HydrophobicContact CZ-CD1 4.45Å; F103-L107 HydrophobicContact CZ-CG 4.47Å; F103-L107 WeakPolarHBondContact O-CG 3.36Å; F103-L107 PolarHBondContact O-N 3.25Å
104	I	67.9	Low	70.6	Confident	52 Å²	52	67.8 Å²	67.8	27%	0.267	35%	0.352	S	S	.	.	H	α-helix	trans	-60.2	-45.8	173.2	-63.3	174	0	0	0	110.4	N96 G99 E100 F106 L107 I108	N96-I104 HydrophobicContact CB-CG2 4.23Å; G99-I104 VanDerWaalsContact O-CD1 3.29Å; G99-I104 WeakPolarHBondContact O-CD1 3.32Å; G99-I104 WeakPolarHBondContact O-CG1 3.31Å; E100-I104 PolarHBondContact O-N 2.81Å; I104-F106 VanDerWaalsContact C-N 3.3Å; I104-F106 PolarHBondContact O-N 3.15Å; I104-L107 PolarHBondContact O-N 3.12Å; I104-I108 HydrophobicContact CG2-CD1 3.83Å; I104-I108 HydrophobicContact CG2-CG1 4.43Å; I104-I108 VanDerWaalsContact O-CG1 3.3Å; I104-I108 WeakPolarHBondContact O-CG1 3.47Å; I104-I108 PolarHBondContact O-N 3.42Å
105	R	70.6	Confident	71.4	Confident	170 Å²	170	67.3 Å²	67.3	64%	0.642	35%	0.348	S	S	*	.	H	α-helix	trans	-61.7	-40.5	177.6	-171.2	175.9	179.7	170	-0	111.6	G101 N102 F103 I108 M109	G101-R105 PolarHBondContact O-N 3.05Å; N102-R105 PolarHBondContact O-N 3.13Å; F103-R105 VanDerWaalsContact C-N 3.34Å; F103-R105 PolarHBondContact O-N 2.98Å; R105-I108 PolarHBondContact O-N 3.13Å; R105-M109 HydrophobicContact CG-SD 4.48Å; R105-M109 WeakPolarHBondContact O-CB 3.34Å; R105-M109 WeakPolarHBondContact O-CG 3.46Å; R105-M109 PolarHBondContact O-N 3.19Å
106	F	73.6	Confident	72.4	Confident	89 Å²	89	72.5 Å²	72.5	39%	0.39	37%	0.369	S	S	.	.	H	α-helix	trans	-62.7	-45.2	175.8	-177.1	-108.1	0	0	0	112.2	P52 E53 N102 F103 I104 M109 A110	P52-F106 HydrophobicContact CG-CD1 4.06Å; P52-F106 HydrophobicContact CG-CE1 3.5Å; P52-F106 VanDerWaalsContact CG-CE1 3.5Å; E53-F106 HydrophobicContact CG-CZ 4.42Å; N102-F106 PolarHBondContact O-N 3Å; N102-F106 VanDerWaalsContact O-N 3.08Å; F103-F106 WeakPolarHBondContact O-CB 3.14Å; F103-F106 PolarHBondContact O-N 3.24Å; I104-F106 VanDerWaalsContact C-N 3.3Å; I104-F106 PolarHBondContact O-N 3.15Å; F106-M109 WeakPolarHBondContact O-CB 2.99Å; F106-M109 PolarHBondContact O-N 3.11Å; F106-A110 WeakPolarHBondContact O-CB 3.33Å; F106-A110 PolarHBondContact O-N 2.98Å
107	L	72.8	Confident	74	Confident	11 Å²	11	74.7 Å²	74.7	6%	0.058	38%	0.383	C	S	.	.	H	α-helix	trans	-62.7	-42.7	176.3	-75.6	167.1	0	0	0	112.8	P52 N96 F103 I104 M109 A110 A111	P52-L107 HydrophobicContact CB-CD2 4Å; P52-L107 HydrophobicContact CG-CD2 4.31Å; N96-L107 WeakPolarHBondContact OD1-CB 3.15Å; F103-L107 HydrophobicContact CD1-CD1 3.56Å; F103-L107 HydrophobicContact CD1-CG 4.11Å; F103-L107 HydrophobicContact CE1-CD1 3.51Å; F103-L107 HydrophobicContact CE1-CD2 4.31Å; F103-L107 HydrophobicContact CE1-CG 3.95Å; F103-L107 HydrophobicContact CZ-CD1 4.45Å; F103-L107 HydrophobicContact CZ-CG 4.47Å; F103-L107 WeakPolarHBondContact O-CG 3.36Å; F103-L107 PolarHBondContact O-N 3.25Å; I104-L107 PolarHBondContact O-N 3.12Å; L107-M109 VanDerWaalsContact C-N 3.32Å; L107-M109 PolarHBondContact O-N 3.44Å; L107-A110 PolarHBondContact O-N 3.09Å; L107-A111 WeakPolarHBondContact O-CB 3.48Å; L107-A111 PolarHBondContact O-N 3.21Å
108	I	76.3	Confident	75.8	Confident	43 Å²	43	72.1 Å²	72.1	22%	0.221	37%	0.369	C	S	.	.	H	α-helix	trans	-62.5	-41.7	175.3	-66.1	168.3	0	0	0	110.6	N96 I104 R105 A111 K112	N96-I108 WeakPolarHBondContact ND2-CG1 3.25Å; I104-I108 HydrophobicContact CG2-CD1 3.83Å; I104-I108 HydrophobicContact CG2-CG1 4.43Å; I104-I108 VanDerWaalsContact O-CG1 3.3Å; I104-I108 WeakPolarHBondContact O-CG1 3.47Å; I104-I108 PolarHBondContact O-N 3.42Å; R105-I108 PolarHBondContact O-N 3.13Å; I108-A111 PolarHBondContact O-N 2.85Å; I108-K112 HydrophobicContact CG2-CD 4.31Å; I108-K112 WeakPolarHBondContact O-CB 3.4Å; I108-K112 WeakPolarHBondContact O-CG 3.26Å; I108-K112 PolarHBondContact O-N 3.43Å
109	M	80.8	Confident	77.7	Confident	109 Å²	109	73 Å²	73	54%	0.537	36%	0.362	S	S	.	.	H	α-helix	trans	-63.8	-43	175.1	-76.3	179.2	159.5	0	0	111.6	R105 F106 L107 K112 K113	R105-M109 HydrophobicContact CG-SD 4.48Å; R105-M109 WeakPolarHBondContact O-CB 3.34Å; R105-M109 WeakPolarHBondContact O-CG 3.46Å; R105-M109 PolarHBondContact O-N 3.19Å; F106-M109 WeakPolarHBondContact O-CB 2.99Å; F106-M109 PolarHBondContact O-N 3.11Å; L107-M109 VanDerWaalsContact C-N 3.32Å; L107-M109 PolarHBondContact O-N 3.44Å; M109-K112 PolarHBondContact O-N 2.89Å; M109-K113 VanDerWaalsContact O-CB 3.32Å; M109-K113 WeakPolarHBondContact O-CB 3.46Å; M109-K113 PolarHBondContact O-N 3.37Å
110	A	83.3	Confident	79.3	Confident	17 Å²	17	79 Å²	79	14%	0.14	38%	0.382	C	S	.	.	H	α-helix	trans	-62.5	-44.4	175.9	0	0	0	0	0	111.8	P52 F106 L107 K113 F114	P52-A110 HydrophobicContact CB-CB 4.23Å; F106-A110 WeakPolarHBondContact O-CB 3.33Å; F106-A110 PolarHBondContact O-N 2.98Å; L107-A110 PolarHBondContact O-N 3.09Å; A110-K113 PolarHBondContact O-N 2.81Å; A110-F114 WeakPolarHBondContact O-CB 3.46Å; A110-F114 PolarHBondContact O-N 3.02Å
111	A	84.3	Confident	80.8	Confident	4 Å²	4	76.1 Å²	76.1	3%	0.033	37%	0.365	C	S	.	.	H	α-helix	trans	-62.9	-43	176.5	0	0	0	0	0	112.2	Y89 L92 V93 L107 I108 F114 L115	Y89-A111 HydrophobicContact CD2-CB 4.35Å; Y89-A111 HydrophobicContact CE2-CB 4.02Å; L92-A111 HydrophobicContact CB-CB 4.05Å; V93-A111 HydrophobicContact CG2-CB 4.1Å; L107-A111 WeakPolarHBondContact O-CB 3.48Å; L107-A111 PolarHBondContact O-N 3.21Å; I108-A111 PolarHBondContact O-N 2.85Å; A111-F114 PolarHBondContact O-N 2.92Å; A111-L115 WeakPolarHBondContact O-CB 3.34Å; A111-L115 PolarHBondContact O-N 3.2Å
112	K	85.7	Confident	82.1	Confident	112 Å²	112	73.9 Å²	73.9	49%	0.487	34%	0.339	S	S	.	.	H	α-helix	trans	-64	-43	174.6	-75.7	-179	178.6	-174.9	0	111.9	I108 M109 L115 M116	I108-K112 HydrophobicContact CG2-CD 4.31Å; I108-K112 WeakPolarHBondContact O-CB 3.4Å; I108-K112 WeakPolarHBondContact O-CG 3.26Å; I108-K112 PolarHBondContact O-N 3.43Å; M109-K112 PolarHBondContact O-N 2.89Å; K112-L115 PolarHBondContact O-N 2.75Å; K112-M116 WeakPolarHBondContact O-CB 3.28Å; K112-M116 WeakPolarHBondContact O-CG 3.16Å; K112-M116 PolarHBondContact O-N 3.2Å
113	K	87.4	Confident	83.1	Confident	144 Å²	144	70.6 Å²	70.6	63%	0.626	32%	0.319	S	S	*	.	H	α-helix	trans	-61.6	-45.4	175.9	-175	-178.9	178.1	-175.7	0	111	M109 A110 M116 T117	M109-K113 VanDerWaalsContact O-CB 3.32Å; M109-K113 WeakPolarHBondContact O-CB 3.46Å; M109-K113 PolarHBondContact O-N 3.37Å; A110-K113 PolarHBondContact O-N 2.81Å; K113-M116 PolarHBondContact O-N 3.5Å; K113-T117 VanDerWaalsContact O-CB 3.32Å; K113-T117 WeakPolarHBondContact O-CB 3.14Å; K113-T117 PolarHBondContact O-N 3.02Å; K113-T117 PolarHBondContact O-OG1 3.23Å
114	F	89.5	Confident	83.9	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-58	-50.5	176.4	-179.2	-96.8	0	0	0	111.4	Y59 F85 M88 Y89 L92 A110 A111 T117 F118	Y59-F114 HydrophobicContact CD1-CE2 4.49Å; Y59-F114 HydrophobicContact CD2-CZ 4.22Å; Y59-F114 HydrophobicContact CG-CE2 4.05Å; Y59-F114 HydrophobicContact CG-CZ 4.07Å; F85-F114 HydrophobicContact CD2-CD1 4.26Å; F85-F114 AromaticContact CD2-CE1 3.37Å; F85-F114 HydrophobicContact CD2-CE1 3.37Å; F85-F114 AromaticContact CD2-CZ 3.77Å; F85-F114 HydrophobicContact CD2-CZ 3.77Å; F85-F114 AromaticContact CE2-CD1 3.9Å; F85-F114 HydrophobicContact CE2-CD1 3.9Å; F85-F114 AromaticContact CE2-CE1 3.48Å; F85-F114 HydrophobicContact CE2-CE1 3.48Å; F85-F114 VanDerWaalsContact CE2-CE1 3.48Å; F85-F114 HydrophobicContact CE2-CZ 4.22Å; F85-F114 HydrophobicContact CG-CE1 4.38Å; M88-F114 HydrophobicContact CB-CE1 4.23Å; M88-F114 HydrophobicContact CB-CZ 3.87Å; M88-F114 HydrophobicContact CE-CE2 4.39Å; M88-F114 HydrophobicContact SD-CZ 4.49Å; Y89-F114 HydrophobicContact CD2-CD1 4.39Å; L92-F114 HydrophobicContact CD1-CB 4.03Å; L92-F114 HydrophobicContact CD1-CD1 4.31Å; L92-F114 HydrophobicContact CD1-CD2 4.42Å; L92-F114 HydrophobicContact CD1-CG 4.01Å; A110-F114 WeakPolarHBondContact O-CB 3.46Å; A110-F114 PolarHBondContact O-N 3.02Å; A111-F114 PolarHBondContact O-N 2.92Å; F114-T117 PolarHBondContact O-N 2.89Å; F114-F118 AromaticContact CD2-CD2 3.51Å; F114-F118 HydrophobicContact CD2-CD2 3.51Å; F114-F118 AromaticContact CD2-CE2 3.59Å; F114-F118 HydrophobicContact CD2-CE2 3.59Å; F114-F118 AromaticContact CE2-CD2 3.54Å; F114-F118 HydrophobicContact CE2-CD2 3.54Å; F114-F118 AromaticContact CE2-CE2 3.69Å; F114-F118 HydrophobicContact CE2-CE2 3.69Å; F114-F118 HydrophobicContact CG-CD2 4.07Å; F114-F118 HydrophobicContact CG-CE2 4.48Å; F114-F118 HydrophobicContact CZ-CD2 4.13Å; F114-F118 VanDerWaalsContact O-CD2 3.31Å; F114-F118 WeakPolarHBondContact O-CD2 3.28Å; F114-F118 PolarHBondContact O-N 3Å
115	L	89	Confident	84.8	Confident	7 Å²	7	71.8 Å²	71.8	4%	0.037	33%	0.328	C	S	.	.	H	α-helix	trans	-61.9	-48	179.7	-173	149	0	0	0	112	F85 Y89 A111 K112 T117 R119 I130	F85-L115 HydrophobicContact CZ-CG 4.45Å; Y89-L115 HydrophobicContact CD2-CB 4.22Å; Y89-L115 HydrophobicContact CD2-CD1 4.21Å; Y89-L115 HydrophobicContact CE1-CD1 4.2Å; Y89-L115 HydrophobicContact CE2-CB 3.99Å; Y89-L115 HydrophobicContact CE2-CD1 3.68Å; Y89-L115 HydrophobicContact CE2-CG 4.49Å; A111-L115 WeakPolarHBondContact O-CB 3.34Å; A111-L115 PolarHBondContact O-N 3.2Å; K112-L115 PolarHBondContact O-N 2.75Å; L115-T117 VanDerWaalsContact C-N 3.3Å; L115-T117 PolarHBondContact O-N 3.5Å; L115-R119 WeakPolarHBondContact O-CB 3.49Å; L115-R119 PolarHBondContact O-N 2.99Å; L115-I130 HydrophobicContact CD2-CG2 4.49Å
116	M	88.1	Confident	85.6	Confident	128 Å²	128	64.2 Å²	64.2	63%	0.631	30%	0.3	S	S	*	.	H	α-helix	trans	-65	-33.2	-179.5	-71.9	-66.5	178.9	0	0	112.8	K112 K113	K112-M116 WeakPolarHBondContact O-CB 3.28Å; K112-M116 WeakPolarHBondContact O-CG 3.16Å; K112-M116 PolarHBondContact O-N 3.2Å; K113-M116 PolarHBondContact O-N 3.5Å
117	T	90.7	Very high	86.2	Confident	58 Å²	58	61.9 Å²	61.9	36%	0.356	29%	0.29	S	S	.	.	H	α-helix	trans	-74.8	-43.9	-179	-54.2	0	0	0	0	111.7	K113 F114 L115	K113-T117 VanDerWaalsContact O-CB 3.32Å; K113-T117 WeakPolarHBondContact O-CB 3.14Å; K113-T117 PolarHBondContact O-N 3.02Å; K113-T117 PolarHBondContact O-OG1 3.23Å; F114-T117 PolarHBondContact O-N 2.89Å; L115-T117 VanDerWaalsContact C-N 3.3Å; L115-T117 PolarHBondContact O-N 3.5Å
118	F	91.9	Very high	86.8	Confident	5 Å²	5	64.2 Å²	64.2	2%	0.022	31%	0.307	C	S	.	.	H	α-helix	trans	-101.3	-10.3	-168.9	-62.2	-63.6	0	0	0	115.7	C56 Y59 Q60 L63 F85 F114 K120 Y121 Q122	C56-F118 HydrophobicContact CB-CE2 4.29Å; Y59-F118 HydrophobicContact CD1-CB 4.09Å; Y59-F118 AromaticContact CD1-CD1 3.42Å; Y59-F118 HydrophobicContact CD1-CD1 3.42Å; Y59-F118 VanDerWaalsContact CD1-CD1 3.42Å; Y59-F118 AromaticContact CD1-CD2 3.83Å; Y59-F118 HydrophobicContact CD1-CD2 3.83Å; Y59-F118 AromaticContact CD1-CE1 3.68Å; Y59-F118 HydrophobicContact CD1-CE1 3.68Å; Y59-F118 HydrophobicContact CD1-CE2 4.07Å; Y59-F118 AromaticContact CD1-CG 3.5Å; Y59-F118 HydrophobicContact CD1-CG 3.5Å; Y59-F118 VanDerWaalsContact CD1-CG 3.5Å; Y59-F118 AromaticContact CD1-CZ 3.99Å; Y59-F118 HydrophobicContact CD1-CZ 3.99Å; Y59-F118 HydrophobicContact CE1-CB 3.85Å; Y59-F118 AromaticContact CE1-CD1 3.73Å; Y59-F118 HydrophobicContact CE1-CD1 3.73Å; Y59-F118 HydrophobicContact CE1-CD2 4.45Å; Y59-F118 HydrophobicContact CE1-CE1 4.39Å; Y59-F118 AromaticContact CE1-CG 3.76Å; Y59-F118 HydrophobicContact CE1-CG 3.76Å; Q60-F118 HydrophobicContact CB-CE1 4.4Å; Q60-F118 HydrophobicContact CB-CZ 4.32Å; L63-F118 HydrophobicContact CD1-CD1 3.72Å; L63-F118 HydrophobicContact CD1-CE1 3.85Å; F85-F118 HydrophobicContact CD2-CB 3.97Å; F85-F118 HydrophobicContact CE2-CB 3.77Å; F114-F118 AromaticContact CD2-CD2 3.51Å; F114-F118 HydrophobicContact CD2-CD2 3.51Å; F114-F118 AromaticContact CD2-CE2 3.59Å; F114-F118 HydrophobicContact CD2-CE2 3.59Å; F114-F118 AromaticContact CE2-CD2 3.54Å; F114-F118 HydrophobicContact CE2-CD2 3.54Å; F114-F118 AromaticContact CE2-CE2 3.69Å; F114-F118 HydrophobicContact CE2-CE2 3.69Å; F114-F118 HydrophobicContact CG-CD2 4.07Å; F114-F118 HydrophobicContact CG-CE2 4.48Å; F114-F118 HydrophobicContact CZ-CD2 4.13Å; F114-F118 VanDerWaalsContact O-CD2 3.31Å; F114-F118 WeakPolarHBondContact O-CD2 3.28Å; F114-F118 PolarHBondContact O-N 3Å; F118-K120 PolarHBondContact O-N 3.05Å; F118-Y121 AromaticContact CD1-CD2 3.95Å; F118-Y121 HydrophobicContact CD1-CD2 3.95Å; F118-Y121 HydrophobicContact CD1-CE2 4.06Å; F118-Y121 PolarHBondContact O-N 3.07Å; F118-Y121 VanDerWaalsContact O-N 3.16Å; F118-Q122 PolarHBondContact O-NE2 3.1Å
119	R	90.8	Very high	87.3	Confident	96 Å²	96	62.4 Å²	62.4	36%	0.362	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-49.2	-39.6	173.4	155.4	179.5	-177.4	-164.6	-0.2	113.9	L115 Y121 Q122 Q127 I130	L115-R119 WeakPolarHBondContact O-CB 3.49Å; L115-R119 PolarHBondContact O-N 2.99Å; R119-Y121 VanDerWaalsContact C-N 3.3Å; R119-Y121 PolarHBondContact O-N 3.06Å; R119-Q122 PolarHBondContact O-N 2.88Å; R119-Q127 PolarHBondContact O-NE2 3.36Å; R119-Q127 VanDerWaalsContact O-NE2 3.09Å; R119-I130 HydrophobicContact CB-CG2 4.16Å; R119-I130 HydrophobicContact CG-CG2 4.07Å
120	K	89.6	Confident	87.7	Confident	148 Å²	148	57.2 Å²	57.2	64%	0.643	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-72.9	-17.5	-175.2	64.8	178.7	-178.5	173.8	0	114.4	F118	F118-K120 PolarHBondContact O-N 3.05Å
121	Y	89.4	Confident	87.9	Confident	107 Å²	107	59.9 Å²	59.9	42%	0.42	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-91.3	-4.8	178.3	-59.6	-74.9	0	0	0	112.6	L63 F118 R119	L63-Y121 HydrophobicContact CD1-CD2 3.98Å; L63-Y121 HydrophobicContact CD1-CE2 4.3Å; L63-Y121 HydrophobicContact CD1-CG 4.21Å; F118-Y121 AromaticContact CD1-CD2 3.95Å; F118-Y121 HydrophobicContact CD1-CD2 3.95Å; F118-Y121 HydrophobicContact CD1-CE2 4.06Å; F118-Y121 PolarHBondContact O-N 3.07Å; F118-Y121 VanDerWaalsContact O-N 3.16Å; R119-Y121 VanDerWaalsContact C-N 3.3Å; R119-Y121 PolarHBondContact O-N 3.06Å
122	Q	90.1	Very high	88	Confident	10 Å²	10	63.6 Å²	63.6	5%	0.047	30%	0.302	C	S	.	.	S	Bend	trans	-86	149.8	177	-52.5	-50.4	-48.6	0	0	110.6	Y59 F85 F118 R119 I130	Y59-Q122 PolarHBondContact OH-NE2 2.91Å; F85-Q122 HydrophobicContact CD1-CG 4.15Å; F85-Q122 HydrophobicContact CE1-CG 4.33Å; F118-Q122 PolarHBondContact O-NE2 3.1Å; R119-Q122 PolarHBondContact O-N 2.88Å; Q122-I130 HydrophobicContact CB-CD1 3.55Å; Q122-I130 HydrophobicContact CG-CD1 3.67Å
123	E	86.1	Confident	88	Confident	75 Å²	75	58.3 Å²	58.3	35%	0.35	28%	0.279	S	S	.	.			trans	-57.7	145.4	176.9	-60	-79.7	-174.9	0	0	112.3	F125 Y126 R207	E123-F125 HydrophobicContact CB-CD1 3.88Å; E123-F125 HydrophobicContact CB-CE1 3.44Å; E123-F125 VanDerWaalsContact CB-CE1 3.44Å; E123-F125 HydrophobicContact CB-CE2 4.45Å; E123-F125 HydrophobicContact CB-CZ 3.75Å; E123-F125 HydrophobicContact CG-CE1 3.93Å; E123-F125 HydrophobicContact CG-CZ 4.05Å; E123-F125 PolarHBondContact O-N 3.36Å; E123-F125 VanDerWaalsContact O-N 3.15Å; E123-Y126 HydrophobicContact CB-CD2 3.95Å; E123-Y126 HydrophobicContact CB-CE2 4.36Å; E123-Y126 PolarHBondContact O-N 3.33Å; E123-R207 VanDerWaalsContact CD-NH1 3.33Å; E123-R207 VanDerWaalsContact CD-NH2 3.33Å; E123-R207 IonicContact OE1-CZ 3.58Å; E123-R207 VanDerWaalsContact OE1-CZ 3.31Å; E123-R207 IonicContact OE1-NH1 2.58Å; E123-R207 PolarHBondContact OE1-NH1 3.42Å; E123-R207 IonicContact OE1-NH2 2.76Å; E123-R207 PolarHBondContact OE1-NH2 3.31Å; E123-R207 IonicContact OE2-NH2 3.61Å; E123-R207 PolarHBondContact OE2-NH2 2.88Å
124	D	85.1	Confident	87.9	Confident	137 Å²	137	53.6 Å²	53.6	73%	0.733	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-57.8	-35.1	-172	-66.9	-28.6	0	0	0	113.5	Y126 Q127	D124-Y126 PolarHBondContact O-N 3.22Å; D124-Q127 VanDerWaalsContact O-CB 3.31Å; D124-Q127 WeakPolarHBondContact O-CB 3.33Å; D124-Q127 VanDerWaalsContact O-CG 3.25Å; D124-Q127 WeakPolarHBondContact O-CG 3.4Å; D124-Q127 PolarHBondContact O-N 2.65Å; D124-Q127 VanDerWaalsContact O-N 3.08Å
125	F	84.9	Confident	87.7	Confident	37 Å²	37	59 Å²	59	16%	0.162	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-73	-7.7	-179.3	59	-94.3	0	0	0	114.7	E123 R207 R547 K567	E123-F125 HydrophobicContact CB-CD1 3.88Å; E123-F125 HydrophobicContact CB-CE1 3.44Å; E123-F125 VanDerWaalsContact CB-CE1 3.44Å; E123-F125 HydrophobicContact CB-CE2 4.45Å; E123-F125 HydrophobicContact CB-CZ 3.75Å; E123-F125 HydrophobicContact CG-CE1 3.93Å; E123-F125 HydrophobicContact CG-CZ 4.05Å; E123-F125 PolarHBondContact O-N 3.36Å; E123-F125 VanDerWaalsContact O-N 3.15Å; F125-R207 HydrophobicContact CZ-CG 4.11Å; F125-R547 PolarHBondContact O-NH1 3.19Å; F125-R547 VanDerWaalsContact O-NH1 3.07Å; F125-R547 PolarHBondContact O-NH2 3.14Å; F125-R547 VanDerWaalsContact O-NH2 3.11Å; F125-K567 HydrophobicContact CB-CB 3.7Å; F125-K567 HydrophobicContact CB-CG 4.4Å; F125-K567 HydrophobicContact CD1-CD 4.16Å; F125-K567 HydrophobicContact CD1-CG 4.49Å; F125-K567 HydrophobicContact CD2-CB 4.45Å; F125-K567 HydrophobicContact CD2-CD 4.05Å; F125-K567 HydrophobicContact CE1-CD 4.34Å; F125-K567 HydrophobicContact CE2-CD 4.2Å; F125-K567 HydrophobicContact CG-CB 4.06Å; F125-K567 HydrophobicContact CG-CD 4.03Å; F125-K567 HydrophobicContact CG-CG 4.31Å; F125-K567 HydrophobicContact CZ-CD 4.37Å
126	Y	88.5	Confident	87.4	Confident	12 Å²	12	58.7 Å²	58.7	5%	0.047	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-94.2	-6	170.2	-66	-54.8	0	0	0	112.8	F82 E123 D124 S128 D129 I130	F82-Y126 HydrophobicContact CB-CD2 4.03Å; F82-Y126 HydrophobicContact CB-CE2 3.76Å; F82-Y126 HydrophobicContact CD1-CD1 4Å; F82-Y126 HydrophobicContact CD1-CD2 4.14Å; F82-Y126 AromaticContact CD1-CE1 3.7Å; F82-Y126 HydrophobicContact CD1-CE1 3.7Å; F82-Y126 AromaticContact CD1-CE2 3.83Å; F82-Y126 HydrophobicContact CD1-CE2 3.83Å; F82-Y126 HydrophobicContact CD1-CG 4.21Å; F82-Y126 AromaticContact CD1-CZ 3.59Å; F82-Y126 HydrophobicContact CD2-CD1 4.11Å; F82-Y126 AromaticContact CD2-CD2 3.58Å; F82-Y126 HydrophobicContact CD2-CD2 3.58Å; F82-Y126 HydrophobicContact CD2-CE2 4.07Å; F82-Y126 AromaticContact CD2-CG 3.6Å; F82-Y126 HydrophobicContact CD2-CG 3.6Å; F82-Y126 AromaticContact CE1-CD1 3.64Å; F82-Y126 HydrophobicContact CE1-CD1 3.64Å; F82-Y126 AromaticContact CE1-CE1 3.56Å; F82-Y126 HydrophobicContact CE1-CE1 3.56Å; F82-Y126 HydrophobicContact CE1-CE2 4.45Å; F82-Y126 HydrophobicContact CE1-CG 4.15Å; F82-Y126 AromaticContact CE1-CZ 3.97Å; F82-Y126 AromaticContact CE2-CD1 3.77Å; F82-Y126 HydrophobicContact CE2-CD1 3.77Å; F82-Y126 HydrophobicContact CE2-CD2 4.04Å; F82-Y126 HydrophobicContact CE2-CE1 4.45Å; F82-Y126 AromaticContact CE2-CG 3.53Å; F82-Y126 HydrophobicContact CE2-CG 3.53Å; F82-Y126 HydrophobicContact CG-CD1 4.21Å; F82-Y126 AromaticContact CG-CD2 3.63Å; F82-Y126 HydrophobicContact CG-CD2 3.63Å; F82-Y126 HydrophobicContact CG-CE1 4.21Å; F82-Y126 AromaticContact CG-CE2 3.6Å; F82-Y126 HydrophobicContact CG-CE2 3.6Å; F82-Y126 AromaticContact CG-CG 3.94Å; F82-Y126 HydrophobicContact CG-CG 3.94Å; F82-Y126 AromaticContact CG-CZ 3.89Å; F82-Y126 AromaticContact CZ-CD1 3.5Å; F82-Y126 HydrophobicContact CZ-CD1 3.5Å; F82-Y126 HydrophobicContact CZ-CD2 4.48Å; F82-Y126 AromaticContact CZ-CE1 3.95Å; F82-Y126 HydrophobicContact CZ-CE1 3.95Å; F82-Y126 AromaticContact CZ-CG 3.81Å; F82-Y126 HydrophobicContact CZ-CG 3.81Å; E123-Y126 HydrophobicContact CB-CD2 3.95Å; E123-Y126 HydrophobicContact CB-CE2 4.36Å; E123-Y126 PolarHBondContact O-N 3.33Å; D124-Y126 PolarHBondContact O-N 3.22Å; Y126-S128 VanDerWaalsContact C-N 3.27Å; Y126-S128 PolarHBondContact O-N 3.16Å; Y126-D129 WeakPolarHBondContact O-CA 3.22Å; Y126-D129 WeakPolarHBondContact O-CB 3.31Å; Y126-D129 PolarHBondContact O-N 3.15Å; Y126-I130 WeakPolarHBondContact O-CG1 3.43Å; Y126-I130 PolarHBondContact O-N 3.48Å
127	Q	86.9	Confident	87	Confident	40 Å²	40	54.6 Å²	54.6	19%	0.187	27%	0.274	C	S	.	.	H	α-helix	trans	-62	-33.8	-175.5	-66.6	-65	-21.3	0	0	112.9	R119 D124 D129 I130 N131	R119-Q127 PolarHBondContact O-NE2 3.36Å; R119-Q127 VanDerWaalsContact O-NE2 3.09Å; D124-Q127 VanDerWaalsContact O-CB 3.31Å; D124-Q127 WeakPolarHBondContact O-CB 3.33Å; D124-Q127 VanDerWaalsContact O-CG 3.25Å; D124-Q127 WeakPolarHBondContact O-CG 3.4Å; D124-Q127 PolarHBondContact O-N 2.65Å; D124-Q127 VanDerWaalsContact O-N 3.08Å; Q127-D129 VanDerWaalsContact C-N 3.3Å; Q127-D129 PolarHBondContact O-N 3.49Å; Q127-I130 PolarHBondContact O-N 3.42Å; Q127-N131 WeakPolarHBondContact O-CB 3.27Å; Q127-N131 PolarHBondContact O-N 3.23Å; Q127-N131 PolarHBondContact O-ND2 2.67Å
128	S	85.2	Confident	86.2	Confident	59 Å²	59	53.1 Å²	53.1	41%	0.413	27%	0.266	S	S	.	.	H	α-helix	trans	-59.8	-42	171.9	58.1	0	0	0	0	112.1	Y126 N131 M132 R547	Y126-S128 VanDerWaalsContact C-N 3.27Å; Y126-S128 PolarHBondContact O-N 3.16Å; S128-N131 PolarHBondContact O-N 3.32Å; S128-M132 WeakPolarHBondContact O-CG 3.38Å; S128-M132 PolarHBondContact O-N 3.03Å; S128-R547 PolarHBondContact OG-NH2 2.98Å; S128-R547 VanDerWaalsContact OG-NH2 3.14Å
129	D	87.1	Confident	85.3	Confident	6 Å²	6	54.7 Å²	54.7	3%	0.032	28%	0.278	C	S	.	.	H	α-helix	trans	-74.4	-37.8	-176.9	-52	-18.7	0	0	0	110.1	Y126 Q127 N131 M132 L133 L147 R547	Y126-D129 WeakPolarHBondContact O-CA 3.22Å; Y126-D129 WeakPolarHBondContact O-CB 3.31Å; Y126-D129 PolarHBondContact O-N 3.15Å; Q127-D129 VanDerWaalsContact C-N 3.3Å; Q127-D129 PolarHBondContact O-N 3.49Å; D129-N131 VanDerWaalsContact C-N 3.33Å; D129-M132 CarbonylContact O-C 3.56Å; D129-M132 WeakPolarHBondContact O-CB 3.33Å; D129-M132 PolarHBondContact O-N 2.93Å; D129-L133 WeakPolarHBondContact O-CB 3.03Å; D129-L133 VanDerWaalsContact O-CG 3.3Å; D129-L133 WeakPolarHBondContact O-CG 3.34Å; D129-L133 PolarHBondContact O-N 3.36Å; D129-L147 HydrophobicContact CB-CD1 4.26Å; D129-R547 IonicContact OD1-CZ 3.47Å; D129-R547 IonicContact OD1-NH2 3.21Å; D129-R547 PolarHBondContact OD1-NH2 3.24Å; D129-R547 IonicContact OD2-CZ 3.49Å; D129-R547 VanDerWaalsContact OD2-CZ 3.24Å; D129-R547 IonicContact OD2-NH1 3.02Å; D129-R547 PolarHBondContact OD2-NH1 3.46Å; D129-R547 IonicContact OD2-NH2 2.85Å; D129-R547 PolarHBondContact OD2-NH2 3.27Å
130	I	88.8	Confident	84.5	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64	-39.9	173.8	-63.6	165.9	0	0	0	110.7	F82 F85 L115 R119 Q122 Y126 Q127 M132 L133 S134	F82-I130 HydrophobicContact CE2-CG1 4.44Å; F85-I130 HydrophobicContact CE1-CG1 4.25Å; L115-I130 HydrophobicContact CD2-CG2 4.49Å; R119-I130 HydrophobicContact CB-CG2 4.16Å; R119-I130 HydrophobicContact CG-CG2 4.07Å; Q122-I130 HydrophobicContact CB-CD1 3.55Å; Q122-I130 HydrophobicContact CG-CD1 3.67Å; Y126-I130 WeakPolarHBondContact O-CG1 3.43Å; Y126-I130 PolarHBondContact O-N 3.48Å; Q127-I130 PolarHBondContact O-N 3.42Å; I130-M132 VanDerWaalsContact C-N 3.34Å; I130-L133 PolarHBondContact O-N 2.88Å; I130-S134 PolarHBondContact O-N 3.01Å
131	N	87.8	Confident	84	Confident	73 Å²	73	53.9 Å²	53.9	39%	0.39	28%	0.28	S	S	.	.	H	α-helix	trans	-63.2	-42.3	173.9	-70.3	-21.6	0	0	0	110.9	Q127 S128 D129 S134	Q127-N131 WeakPolarHBondContact O-CB 3.27Å; Q127-N131 PolarHBondContact O-N 3.23Å; Q127-N131 PolarHBondContact O-ND2 2.67Å; S128-N131 PolarHBondContact O-N 3.32Å; D129-N131 VanDerWaalsContact C-N 3.33Å; N131-S134 WeakPolarHBondContact O-CB 3.38Å; N131-S134 PolarHBondContact O-N 3.03Å; N131-S134 PolarHBondContact O-OG 2.93Å
132	M	84.9	Confident	83.3	Confident	82 Å²	82	49 Å²	49	40%	0.404	26%	0.262	S	S	.	.	H	α-helix	trans	-63.3	-40.1	173.5	-73.5	-170.7	-82.5	0	0	112.6	S128 D129 I130 S134 N135 L147	S128-M132 WeakPolarHBondContact O-CG 3.38Å; S128-M132 PolarHBondContact O-N 3.03Å; D129-M132 CarbonylContact O-C 3.56Å; D129-M132 WeakPolarHBondContact O-CB 3.33Å; D129-M132 PolarHBondContact O-N 2.93Å; I130-M132 VanDerWaalsContact C-N 3.34Å; M132-S134 VanDerWaalsContact C-N 3.3Å; M132-S134 PolarHBondContact O-N 3.33Å; M132-N135 PolarHBondContact O-N 2.76Å; M132-L147 HydrophobicContact CB-CD1 4.06Å; M132-L147 HydrophobicContact CE-CD1 3.99Å; M132-L147 HydrophobicContact SD-CD1 4.35Å
133	L	85.8	Confident	82.4	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-63.6	-34.8	174.5	-74.5	169.1	0	0	0	112	V86 Y89 D129 I130 N135 I136 L147	V86-L133 HydrophobicContact CG1-CD1 4.18Å; V86-L133 HydrophobicContact CG1-CD2 4.48Å; V86-L133 HydrophobicContact CG2-CD1 3.84Å; Y89-L133 HydrophobicContact CD1-CD2 4.48Å; Y89-L133 HydrophobicContact CE1-CB 4.25Å; Y89-L133 PolarHBondContact OH-O 2.67Å; D129-L133 WeakPolarHBondContact O-CB 3.03Å; D129-L133 VanDerWaalsContact O-CG 3.3Å; D129-L133 WeakPolarHBondContact O-CG 3.34Å; D129-L133 PolarHBondContact O-N 3.36Å; I130-L133 PolarHBondContact O-N 2.88Å; L133-N135 PolarHBondContact O-N 2.9Å; L133-I136 HydrophobicContact CD2-CD1 4.02Å; L133-I136 VanDerWaalsContact O-CB 3.31Å; L133-I136 WeakPolarHBondContact O-CB 3.18Å; L133-I136 WeakPolarHBondContact O-CG1 3.43Å; L133-I136 PolarHBondContact O-N 3.11Å; L133-L147 HydrophobicContact CD2-CD2 3.5Å; L133-L147 VanDerWaalsContact CD2-CD2 3.5Å; L133-L147 HydrophobicContact CG-CD2 3.98Å
134	S	85.9	Confident	81.9	Confident	45 Å²	45	54.7 Å²	54.7	32%	0.315	31%	0.306	S	S	.	.	H	α-helix	trans	-63.2	-23	-179.7	80.5	0	0	0	0	113.8	I130 N131 M132 I136	I130-S134 PolarHBondContact O-N 3.01Å; N131-S134 WeakPolarHBondContact O-CB 3.38Å; N131-S134 PolarHBondContact O-N 3.03Å; N131-S134 PolarHBondContact O-OG 2.93Å; M132-S134 VanDerWaalsContact C-N 3.3Å; M132-S134 PolarHBondContact O-N 3.33Å; S134-I136 PolarHBondContact O-N 3.37Å
135	N	85	Confident	81.3	Confident	113 Å²	113	49.7 Å²	49.7	60%	0.604	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-10.1	174.6	-63.3	-26.7	0	0	0	112.8	M132 L133 T137 H141	M132-N135 PolarHBondContact O-N 2.76Å; L133-N135 PolarHBondContact O-N 2.9Å; N135-T137 PolarHBondContact O-N 2.94Å; N135-H141 PolarHBondContact O-ND1 3.27Å
136	I	82.5	Confident	80.8	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.299	C	S	.	.			trans	-99	84.2	-172.7	-48.3	176.5	0	0	0	109.7	Y89 L133 S134 H141 L142 N145 I148	Y89-I136 PolarHBondContact OH-O 3.13Å; L133-I136 HydrophobicContact CD2-CD1 4.02Å; L133-I136 VanDerWaalsContact O-CB 3.31Å; L133-I136 WeakPolarHBondContact O-CB 3.18Å; L133-I136 WeakPolarHBondContact O-CG1 3.43Å; L133-I136 PolarHBondContact O-N 3.11Å; S134-I136 PolarHBondContact O-N 3.37Å; I136-H141 HydrophobicContact CB-CB 4.49Å; I136-H141 HydrophobicContact CG2-CB 3.84Å; I136-L142 HydrophobicContact CG2-CD1 4.48Å; I136-L142 HydrophobicContact CG2-CG 4.25Å; I136-N145 HydrophobicContact CD1-CB 4.06Å; I136-N145 WeakPolarHBondContact CD1-ND2 3.28Å; I136-N145 WeakPolarHBondContact CG1-ND2 3.11Å; I136-I148 HydrophobicContact CB-CD1 4.5Å; I136-I148 HydrophobicContact CD1-CD1 3.33Å; I136-I148 HydrophobicContact CD1-CG1 3.73Å; I136-I148 HydrophobicContact CG1-CD1 4.33Å; I136-I148 HydrophobicContact CG2-CD1 3.66Å
137	T	79.3	Confident	80.2	Confident	42 Å²	42	52.1 Å²	52.1	26%	0.258	30%	0.3	S	S	.	.			trans	-100.9	-19.3	-177.9	55.3	0	0	0	0	114.4	N135	N135-T137 PolarHBondContact O-N 2.94Å
138	S	74.8	Confident	79.7	Confident	28 Å²	28	50.2 Å²	50.2	20%	0.196	29%	0.291	C	S	.	.	S	Bend	trans	-120.2	156.3	-173.7	76.7	0	0	0	0	111.4	Q140 H141	S138-Q140 PolarHBondContact O-N 2.58Å; S138-H141 PolarHBondContact O-N 2.67Å; S138-H141 VanDerWaalsContact O-N 3.08Å; S138-H141 PolarHBondContact OG-CD2 3.14Å; S138-H141 VanDerWaalsContact OG-CG 3.22Å; S138-H141 PolarHBondContact OG-N 3.47Å; S138-H141 PolarHBondContact OG-NE2 3.18Å
139	S	73.7	Confident	79	Confident	38 Å²	38	52 Å²	52	27%	0.266	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-28.7	175.4	-171.3	0	0	0	0	112.9	I97 H141 L142	I97-S139 VanDerWaalsContact CD1-OG 3.32Å; I97-S139 WeakPolarHBondContact CD1-OG 3.35Å; I97-S139 VanDerWaalsContact CG1-OG 3.27Å; I97-S139 WeakPolarHBondContact CG1-OG 3.09Å; S139-H141 VanDerWaalsContact C-N 3.32Å; S139-L142 WeakPolarHBondContact O-CB 3.41Å; S139-L142 PolarHBondContact O-N 3.02Å
140	Q	74.3	Confident	78.3	Confident	153 Å²	153	51.8 Å²	51.8	72%	0.715	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-32.8	176.3	-66.7	176.1	-8.5	0	0	111.6	S138 L142 S143	S138-Q140 PolarHBondContact O-N 2.58Å; Q140-L142 PolarHBondContact O-N 2.86Å; Q140-S143 PolarHBondContact O-N 3.23Å; Q140-S143 PolarHBondContact O-OG 3.12Å
141	H	78.6	Confident	77.6	Confident	73 Å²	73	52.1 Å²	52.1	34%	0.338	29%	0.293	S	S	.	.	H	α-helix	trans	-70.4	-20.2	176.6	-59.8	-179.2	0	0	0	112	N135 I136 S138 S139 S143 T144 N145	N135-H141 PolarHBondContact O-ND1 3.27Å; I136-H141 HydrophobicContact CB-CB 4.49Å; I136-H141 HydrophobicContact CG2-CB 3.84Å; S138-H141 PolarHBondContact O-N 2.67Å; S138-H141 VanDerWaalsContact O-N 3.08Å; S138-H141 PolarHBondContact OG-CD2 3.14Å; S138-H141 VanDerWaalsContact OG-CG 3.22Å; S138-H141 PolarHBondContact OG-N 3.47Å; S138-H141 PolarHBondContact OG-NE2 3.18Å; S139-H141 VanDerWaalsContact C-N 3.32Å; H141-S143 VanDerWaalsContact C-N 3.3Å; H141-S143 PolarHBondContact O-N 3.42Å; H141-T144 PolarHBondContact O-OG1 3.28Å; H141-N145 WeakPolarHBondContact O-CB 3.18Å; H141-N145 PolarHBondContact O-N 3.48Å
142	L	74	Confident	76.7	Confident	6 Å²	6	54.9 Å²	54.9	3%	0.031	30%	0.298	C	S	.	.	H	α-helix	trans	-69.6	-24.7	175.6	-80.3	112	0	0	0	113.6	L90 V93 I136 S139 Q140 I148 R152	L90-L142 HydrophobicContact CD2-CD2 4.03Å; V93-L142 HydrophobicContact CB-CD1 4.03Å; V93-L142 HydrophobicContact CG1-CD1 3.43Å; V93-L142 VanDerWaalsContact CG1-CD1 3.43Å; I136-L142 HydrophobicContact CG2-CD1 4.48Å; I136-L142 HydrophobicContact CG2-CG 4.25Å; S139-L142 WeakPolarHBondContact O-CB 3.41Å; S139-L142 PolarHBondContact O-N 3.02Å; Q140-L142 PolarHBondContact O-N 2.86Å; L142-I148 HydrophobicContact CB-CD1 4.08Å; L142-I148 HydrophobicContact CD2-CD1 3.97Å; L142-I148 HydrophobicContact CD2-CG2 4.36Å; L142-I148 HydrophobicContact CG-CD1 3.66Å; L142-I148 WeakPolarHBondContact O-CG2 3.47Å; L142-R152 VanDerWaalsContact CD2-NH2 3.27Å; L142-R152 PolarHBondContact O-NH1 3.03Å
143	S	72.1	Confident	75.8	Confident	98 Å²	98	53.9 Å²	53.9	69%	0.685	30%	0.303	S	S	*	.	H	α-helix	trans	-85.6	-28	177	57.7	0	0	0	0	112.6	Q140 H141	Q140-S143 PolarHBondContact O-N 3.23Å; Q140-S143 PolarHBondContact O-OG 3.12Å; H141-S143 VanDerWaalsContact C-N 3.3Å; H141-S143 PolarHBondContact O-N 3.42Å
144	T	74.3	Confident	74.9	Confident	106 Å²	106	54.8 Å²	54.8	65%	0.65	31%	0.309	S	S	*	.	H	α-helix	trans	-92.6	-25.4	-173.8	58	0	0	0	0	113.9	H141 P146	H141-T144 PolarHBondContact O-OG1 3.28Å; T144-P146 WeakPolarHBondContact O-CD 3.32Å
145	N	73.9	Confident	74.5	Confident	31 Å²	31	56 Å²	56	17%	0.166	31%	0.31	C	S	.	.			trans	-79.4	121.2	-172.5	-165.1	-41.9	0	0	0	112	I136 H141 L147 I148 E149	I136-N145 HydrophobicContact CD1-CB 4.06Å; I136-N145 WeakPolarHBondContact CD1-ND2 3.28Å; I136-N145 WeakPolarHBondContact CG1-ND2 3.11Å; H141-N145 WeakPolarHBondContact O-CB 3.18Å; H141-N145 PolarHBondContact O-N 3.48Å; N145-L147 PolarHBondContact O-N 3.39Å; N145-L147 VanDerWaalsContact OD1-CB 3.31Å; N145-L147 WeakPolarHBondContact OD1-CB 3.36Å; N145-L147 PolarHBondContact OD1-N 3.42Å; N145-I148 HydrophobicContact CB-CD1 4.44Å; N145-I148 HydrophobicContact CB-CG1 4.4Å; N145-I148 PolarHBondContact O-N 3.36Å; N145-E149 PolarHBondContact O-N 3.45Å
146	P	72.8	Confident	74.6	Confident	89 Å²	89	50.9 Å²	50.9	58%	0.578	28%	0.282	S	S	*	.	H	α-helix	trans	-62	-30.7	-178.8	25.6	-35.7	0	0	0	112.9	T144 I148 E149 S150	T144-P146 WeakPolarHBondContact O-CD 3.32Å; P146-I148 VanDerWaalsContact C-N 3.29Å; P146-I148 PolarHBondContact O-N 3.16Å; P146-E149 WeakPolarHBondContact O-CB 3.37Å; P146-E149 PolarHBondContact O-N 2.94Å; P146-S150 PolarHBondContact O-N 3.09Å
147	L	75.8	Confident	75	Confident	11 Å²	11	51.2 Å²	51.2	6%	0.058	28%	0.284	C	S	.	.	H	α-helix	trans	-63.4	-38.4	176.2	179.7	148	0	0	0	110.5	D129 M132 L133 N145 S150 F151	D129-L147 HydrophobicContact CB-CD1 4.26Å; M132-L147 HydrophobicContact CB-CD1 4.06Å; M132-L147 HydrophobicContact CE-CD1 3.99Å; M132-L147 HydrophobicContact SD-CD1 4.35Å; L133-L147 HydrophobicContact CD2-CD2 3.5Å; L133-L147 VanDerWaalsContact CD2-CD2 3.5Å; L133-L147 HydrophobicContact CG-CD2 3.98Å; N145-L147 PolarHBondContact O-N 3.39Å; N145-L147 VanDerWaalsContact OD1-CB 3.31Å; N145-L147 WeakPolarHBondContact OD1-CB 3.36Å; N145-L147 PolarHBondContact OD1-N 3.42Å; L147-S150 PolarHBondContact O-N 2.81Å; L147-S150 PolarHBondContact O-OG 2.78Å; L147-F151 HydrophobicContact CD1-CE2 4.33Å; L147-F151 HydrophobicContact CD2-CD2 3.52Å; L147-F151 HydrophobicContact CD2-CE2 3.5Å; L147-F151 VanDerWaalsContact CD2-CE2 3.5Å; L147-F151 HydrophobicContact CG-CD2 3.93Å; L147-F151 HydrophobicContact CG-CE2 3.73Å; L147-F151 VanDerWaalsContact O-CD2 3.23Å; L147-F151 WeakPolarHBondContact O-CD2 3.42Å; L147-F151 PolarHBondContact O-N 2.72Å; L147-F151 VanDerWaalsContact O-N 3.09Å
148	I	76.3	Confident	75.6	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-71.4	-37.4	177.1	-69.4	-179.2	0	0	0	111.5	L90 I136 L142 N145 P146 S150 F151 R152	L90-I148 HydrophobicContact CD2-CD1 3.67Å; L90-I148 HydrophobicContact CD2-CG1 3.95Å; I136-I148 HydrophobicContact CB-CD1 4.5Å; I136-I148 HydrophobicContact CD1-CD1 3.33Å; I136-I148 HydrophobicContact CD1-CG1 3.73Å; I136-I148 HydrophobicContact CG1-CD1 4.33Å; I136-I148 HydrophobicContact CG2-CD1 3.66Å; L142-I148 HydrophobicContact CB-CD1 4.08Å; L142-I148 HydrophobicContact CD2-CD1 3.97Å; L142-I148 HydrophobicContact CD2-CG2 4.36Å; L142-I148 HydrophobicContact CG-CD1 3.66Å; L142-I148 WeakPolarHBondContact O-CG2 3.47Å; N145-I148 HydrophobicContact CB-CD1 4.44Å; N145-I148 HydrophobicContact CB-CG1 4.4Å; N145-I148 PolarHBondContact O-N 3.36Å; P146-I148 VanDerWaalsContact C-N 3.29Å; P146-I148 PolarHBondContact O-N 3.16Å; I148-S150 PolarHBondContact O-N 3.15Å; I148-F151 PolarHBondContact O-N 3.24Å; I148-R152 HydrophobicContact CG2-CG 3.98Å; I148-R152 VanDerWaalsContact O-CB 3.3Å; I148-R152 WeakPolarHBondContact O-CB 3.44Å; I148-R152 VanDerWaalsContact O-CG 3.29Å; I148-R152 WeakPolarHBondContact O-CG 3.49Å; I148-R152 PolarHBondContact O-N 3.29Å
149	E	71.4	Confident	76.3	Confident	97 Å²	97	48 Å²	48	45%	0.453	26%	0.263	S	S	.	.	H	α-helix	trans	-57.1	-42.7	172.7	-164.9	-166.4	171.5	0	0	110.3	N145 P146 R152 A153 R504	N145-E149 PolarHBondContact O-N 3.45Å; P146-E149 WeakPolarHBondContact O-CB 3.37Å; P146-E149 PolarHBondContact O-N 2.94Å; E149-R152 PolarHBondContact O-N 3.15Å; E149-A153 WeakPolarHBondContact O-CB 3.27Å; E149-A153 PolarHBondContact O-N 3.3Å; E149-R504 VanDerWaalsContact CD-NH1 3.28Å; E149-R504 IonicContact OE1-CZ 3.73Å; E149-R504 IonicContact OE1-NH1 3.27Å; E149-R504 PolarHBondContact OE1-NH1 3.49Å; E149-R504 IonicContact OE1-NH2 2.8Å; E149-R504 PolarHBondContact OE1-NH2 2.82Å; E149-R504 IonicContact OE2-CZ 3.24Å; E149-R504 IonicContact OE2-NH1 3.85Å; E149-R504 PolarHBondContact OE2-NH1 3.33Å; E149-R504 IonicContact OE2-NH2 2.84Å; E149-R504 PolarHBondContact OE2-NH2 3.3Å
150	S	71.8	Confident	77.1	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.014	25%	0.251	C	S	.	.	H	α-helix	trans	-61.6	-51	176.7	76	0	0	0	0	112.6	P146 L147 I148 R152 A153 S154 L210	P146-S150 PolarHBondContact O-N 3.09Å; L147-S150 PolarHBondContact O-N 2.81Å; L147-S150 PolarHBondContact O-OG 2.78Å; I148-S150 PolarHBondContact O-N 3.15Å; S150-R152 VanDerWaalsContact C-N 3.33Å; S150-R152 PolarHBondContact O-N 3.11Å; S150-A153 PolarHBondContact O-N 2.95Å; S150-S154 PolarHBondContact O-N 3.23Å; S150-S154 VanDerWaalsContact O-N 3.09Å; S150-S154 PolarHBondContact O-OG 3.14Å; S150-L210 WeakPolarHBondContact OG-CD2 3.28Å
151	F	74.3	Confident	77.9	Confident	6 Å²	6	39.1 Å²	39.1	3%	0.026	22%	0.218	C	C	.	.	H	α-helix	trans	-67	-30.1	179.5	-80.2	-70.3	0	0	0	113.4	F82 V86 L147 I148 S154 F156 L210	F82-F151 HydrophobicContact CE1-CE1 4.42Å; F82-F151 HydrophobicContact CE1-CZ 4.15Å; F82-F151 HydrophobicContact CZ-CZ 4.29Å; V86-F151 HydrophobicContact CG1-CD1 4.47Å; V86-F151 HydrophobicContact CG1-CD2 4.46Å; V86-F151 HydrophobicContact CG1-CE1 4.42Å; V86-F151 HydrophobicContact CG1-CE2 4.43Å; V86-F151 HydrophobicContact CG1-CG 4.5Å; V86-F151 HydrophobicContact CG1-CZ 4.4Å; L147-F151 HydrophobicContact CD1-CE2 4.33Å; L147-F151 HydrophobicContact CD2-CD2 3.52Å; L147-F151 HydrophobicContact CD2-CE2 3.5Å; L147-F151 VanDerWaalsContact CD2-CE2 3.5Å; L147-F151 HydrophobicContact CG-CD2 3.93Å; L147-F151 HydrophobicContact CG-CE2 3.73Å; L147-F151 VanDerWaalsContact O-CD2 3.23Å; L147-F151 WeakPolarHBondContact O-CD2 3.42Å; L147-F151 PolarHBondContact O-N 2.72Å; L147-F151 VanDerWaalsContact O-N 3.09Å; I148-F151 PolarHBondContact O-N 3.24Å; F151-S154 VanDerWaalsContact O-O 3.12Å; F151-F156 HydrophobicContact CE1-CD2 4.1Å; F151-F156 HydrophobicContact CE1-CE2 4.4Å; F151-L210 HydrophobicContact CD2-CD1 4.5Å; F151-L210 HydrophobicContact CE1-CD1 4.4Å; F151-L210 VanDerWaalsContact CE1-O 3.31Å; F151-L210 WeakPolarHBondContact CE1-O 3.47Å; F151-L210 HydrophobicContact CE2-CD1 3.55Å; F151-L210 HydrophobicContact CE2-CG 4.25Å; F151-L210 HydrophobicContact CZ-CD1 3.49Å; F151-L210 VanDerWaalsContact CZ-CD1 3.49Å; F151-L210 HydrophobicContact CZ-CG 4.2Å
152	R	69.6	Low	78.6	Confident	132 Å²	132	38.4 Å²	38.4	50%	0.498	22%	0.219	S	C	.	.	H	α-helix	trans	-75.7	-35	175.5	-75.7	179.4	174.1	175.7	-6.3	112.3	L142 I148 E149 S150	L142-R152 VanDerWaalsContact CD2-NH2 3.27Å; L142-R152 PolarHBondContact O-NH1 3.03Å; I148-R152 HydrophobicContact CG2-CG 3.98Å; I148-R152 VanDerWaalsContact O-CB 3.3Å; I148-R152 WeakPolarHBondContact O-CB 3.44Å; I148-R152 VanDerWaalsContact O-CG 3.29Å; I148-R152 WeakPolarHBondContact O-CG 3.49Å; I148-R152 PolarHBondContact O-N 3.29Å; E149-R152 PolarHBondContact O-N 3.15Å; S150-R152 VanDerWaalsContact C-N 3.33Å; S150-R152 PolarHBondContact O-N 3.11Å
153	A	66.5	Low	79.4	Confident	61 Å²	61	42.8 Å²	42.8	50%	0.504	24%	0.239	S	C	.	.	H	α-helix	trans	-89.8	-7.7	-174.8	0	0	0	0	0	113.9	E149 S150 K525	E149-A153 WeakPolarHBondContact O-CB 3.27Å; E149-A153 PolarHBondContact O-N 3.3Å; S150-A153 PolarHBondContact O-N 2.95Å; A153-K525 PolarHBondContact O-NZ 3.48Å
154	S	66	Low	80.4	Confident	19 Å²	19	38.1 Å²	38.1	13%	0.133	21%	0.207	C	C	.	.	S	Bend	trans	-123.9	131.8	171.8	52.5	0	0	0	0	110.8	S150 F151 F156	S150-S154 PolarHBondContact O-N 3.23Å; S150-S154 VanDerWaalsContact O-N 3.09Å; S150-S154 PolarHBondContact O-OG 3.14Å; F151-S154 VanDerWaalsContact O-O 3.12Å; S154-F156 PolarHBondContact O-N 2.96Å
155	E	78	Confident	81.2	Confident	72 Å²	72	36 Å²	36	34%	0.336	19%	0.187	S	C	.	.			trans	-63.6	124.2	159.4	-60.7	171.2	172.7	0	0	107.5	V157 R215	E155-V157 PolarHBondContact O-N 3.14Å; E155-R215 IonicContact OE2-CZ 3.43Å; E155-R215 IonicContact OE2-NH2 3.2Å; E155-R215 PolarHBondContact OE2-NH2 3.45Å
156	F	86.8	Confident	82.1	Confident	5 Å²	5	37.6 Å²	37.6	2%	0.022	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	115.3	177.9	-171.7	-81.4	0	0	0	108.4	F82 P83 F151 S154 V158 Q187 L188 S189 L210 F211	F82-F156 HydrophobicContact CD1-CE2 4.27Å; F82-F156 HydrophobicContact CD1-CZ 4.22Å; F82-F156 HydrophobicContact CE1-CE2 4.33Å; P83-F156 HydrophobicContact CB-CB 4.4Å; P83-F156 HydrophobicContact CB-CD1 3.51Å; P83-F156 HydrophobicContact CB-CD2 4.32Å; P83-F156 HydrophobicContact CB-CE1 3.73Å; P83-F156 HydrophobicContact CB-CE2 4.49Å; P83-F156 HydrophobicContact CB-CG 3.83Å; P83-F156 HydrophobicContact CB-CZ 4.22Å; P83-F156 HydrophobicContact CG-CD1 3.7Å; P83-F156 HydrophobicContact CG-CE1 3.54Å; P83-F156 HydrophobicContact CG-CZ 4.23Å; F151-F156 HydrophobicContact CE1-CD2 4.1Å; F151-F156 HydrophobicContact CE1-CE2 4.4Å; S154-F156 PolarHBondContact O-N 2.96Å; F156-V158 HydrophobicContact CD1-CG2 3.48Å; F156-V158 VanDerWaalsContact CD1-CG2 3.48Å; F156-V158 HydrophobicContact CE1-CG2 3.5Å; F156-Q187 PolarHBondContact N-O 3.47Å; F156-L188 HydrophobicContact CB-CD2 3.79Å; F156-L188 HydrophobicContact CD1-CD2 4.42Å; F156-L188 HydrophobicContact CG-CD2 4.47Å; F156-L188 WeakPolarHBondContact O-CA 3.44Å; F156-S189 PolarHBondContact O-N 2.9Å; F156-L210 WeakPolarHBondContact CD2-O 3.34Å; F156-L210 WeakPolarHBondContact CE2-O 3.49Å; F156-F211 WeakPolarHBondContact CA-O 3.32Å
157	V	91.1	Very high	83	Confident	7 Å²	7	36.1 Å²	36.1	4%	0.042	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	126	-172.8	-179	0	0	0	0	109.5	E155 S189 E191 F211 G212 E213 R215	E155-V157 PolarHBondContact O-N 3.14Å; V157-S189 WeakPolarHBondContact CA-O 3.29Å; V157-E191 HydrophobicContact CG1-CG 4.35Å; V157-F211 PolarHBondContact N-O 3.29Å; V157-G212 WeakPolarHBondContact O-CA 3.49Å; V157-E213 VanDerWaalsContact CB-O 3.25Å; V157-E213 WeakPolarHBondContact CB-O 3.45Å; V157-E213 PolarHBondContact O-N 3.44Å; V157-R215 HydrophobicContact CG1-CG 4.12Å; V157-R215 HydrophobicContact CG2-CG 3.9Å
158	V	90.7	Very high	83.8	Confident	2 Å²	2	36 Å²	36	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	129	173.9	-171.7	0	0	0	0	109.1	T79 L80 P83 F156 V160 S189 L190 E191	T79-V158 WeakPolarHBondContact OG1-CG1 3.45Å; L80-V158 HydrophobicContact CD2-CB 3.87Å; L80-V158 HydrophobicContact CD2-CG1 3.72Å; L80-V158 HydrophobicContact CD2-CG2 3.95Å; L80-V158 HydrophobicContact CG-CG1 4.25Å; P83-V158 HydrophobicContact CG-CG2 4.41Å; F156-V158 HydrophobicContact CD1-CG2 3.48Å; F156-V158 VanDerWaalsContact CD1-CG2 3.48Å; F156-V158 HydrophobicContact CE1-CG2 3.5Å; V158-V160 HydrophobicContact CG1-CG2 3.88Å; V158-S189 PolarHBondContact N-O 3Å; V158-L190 HydrophobicContact CB-CD2 4.06Å; V158-L190 WeakPolarHBondContact O-CA 3.34Å; V158-E191 PolarHBondContact O-N 3.11Å
159	S	89.6	Confident	84.5	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	130.8	173.5	-53.5	0	0	0	0	110.1	E191 R198 E213	S159-E191 VanDerWaalsContact CA-O 3.32Å; S159-E191 WeakPolarHBondContact CA-O 3.45Å; S159-R198 PolarHBondContact O-NH2 2.83Å; S159-E213 PolarHBondContact OG-OE2 3.47Å
160	V	91.3	Very high	85.5	Confident	3 Å²	3	43.3 Å²	43.3	2%	0.018	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	142.5	-179.7	-175.1	0	0	0	0	108.7	E76 L80 V158 E191 I192 I193	E76-V160 HydrophobicContact CB-CG1 4.49Å; L80-V160 HydrophobicContact CD1-CG2 4.32Å; V158-V160 HydrophobicContact CG1-CG2 3.88Å; V160-E191 PolarHBondContact N-O 2.86Å; V160-I192 WeakPolarHBondContact O-CA 3.22Å; V160-I193 PolarHBondContact O-N 3.31Å
161	S	91.8	Very high	86.5	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.014	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	152.2	173.3	61	0	0	0	0	111.8	E76 E163 S164 Y165 I193	E76-S161 VanDerWaalsContact OE2-CB 3.27Å; E76-S161 WeakPolarHBondContact OE2-CB 3.39Å; E76-S161 PolarHBondContact OE2-N 3.29Å; E76-S161 PolarHBondContact OE2-OG 3.44Å; S161-E163 PolarHBondContact O-N 2.79Å; S161-S164 PolarHBondContact O-N 3.27Å; S161-S164 WeakPolarHBondContact OG-CB 3.35Å; S161-S164 PolarHBondContact OG-N 2.84Å; S161-S164 PolarHBondContact OG-OG 2.95Å; S161-Y165 WeakPolarHBondContact O-CB 3.32Å; S161-Y165 PolarHBondContact O-N 2.96Å; S161-I193 WeakPolarHBondContact CA-O 3.21Å
162	T	92.3	Very high	87.2	Confident	58 Å²	58	44.4 Å²	44.4	36%	0.356	22%	0.22	S	C	.	.	H	α-helix	trans	-55	-39.5	177.5	-53.1	0	0	0	0	112.2	S166 I192 I193 N194	T162-S166 WeakPolarHBondContact O-CB 3.39Å; T162-S166 PolarHBondContact O-N 3.16Å; T162-I192 HydrophobicContact CG2-CG2 4.34Å; T162-I192 VanDerWaalsContact OG1-CG2 3.3Å; T162-I192 WeakPolarHBondContact OG1-CG2 3.39Å; T162-I193 PolarHBondContact N-O 3.22Å; T162-I193 PolarHBondContact OG1-O 2.91Å; T162-N194 PolarHBondContact OG1-OD1 3.23Å
163	E	91	Very high	88.2	Confident	98 Å²	98	43 Å²	43	46%	0.458	22%	0.219	S	C	.	.	H	α-helix	trans	-66.2	-52	178.8	-65.2	176.6	-178.7	0	0	111.7	H73 S161 Y165 S166 L167	H73-E163 IonicContact CE1-OE2 3.68Å; S161-E163 PolarHBondContact O-N 2.79Å; E163-Y165 VanDerWaalsContact C-N 3.3Å; E163-Y165 PolarHBondContact O-N 3.43Å; E163-S166 PolarHBondContact O-N 2.66Å; E163-S166 VanDerWaalsContact O-N 3.16Å; E163-S166 PolarHBondContact O-OG 3.44Å; E163-L167 PolarHBondContact O-N 2.65Å
164	S	92.2	Very high	89.3	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-58.3	-42.1	177.5	-62.6	0	0	0	0	111.7	H73 E76 S161 S166 L167 L168	H73-S164 PolarHBondContact ND1-OG 3.29Å; E76-S164 WeakPolarHBondContact OE2-CB 3.18Å; E76-S164 PolarHBondContact OE2-OG 2.67Å; S161-S164 PolarHBondContact O-N 3.27Å; S161-S164 WeakPolarHBondContact OG-CB 3.35Å; S161-S164 PolarHBondContact OG-N 2.84Å; S161-S164 PolarHBondContact OG-OG 2.95Å; S164-S166 PolarHBondContact O-N 2.68Å; S164-L167 PolarHBondContact O-N 2.85Å; S164-L168 PolarHBondContact O-N 3.02Å
165	Y	92.2	Very high	90.3	Very high	62 Å²	62	50 Å²	50	24%	0.243	24%	0.241	C	C	.	.	H	α-helix	trans	-66.6	-35.9	179	-177.9	-109.2	0	0	0	112.5	S161 E163 L168 R169 L190 I192	S161-Y165 WeakPolarHBondContact O-CB 3.32Å; S161-Y165 PolarHBondContact O-N 2.96Å; E163-Y165 VanDerWaalsContact C-N 3.3Å; E163-Y165 PolarHBondContact O-N 3.43Å; Y165-L168 PolarHBondContact O-N 3.17Å; Y165-R169 WeakPolarHBondContact O-CB 3.42Å; Y165-R169 PolarHBondContact O-N 2.96Å; Y165-L190 HydrophobicContact CD2-CD1 4.34Å; Y165-L190 HydrophobicContact CE2-CD1 3.67Å; Y165-I192 HydrophobicContact CD1-CD1 3.73Å; Y165-I192 HydrophobicContact CD1-CG1 4.29Å; Y165-I192 HydrophobicContact CE1-CD1 3.78Å; Y165-I192 HydrophobicContact CG-CD1 4.39Å; Y165-I192 HydrophobicContact CG-CG1 4.49Å
166	S	92.2	Very high	90.5	Very high	63 Å²	63	53.9 Å²	53.9	44%	0.441	26%	0.259	S	S	.	.	H	α-helix	trans	-62.5	-42.8	177.4	73.7	0	0	0	0	112.4	T162 E163 S164 R169 Q170	T162-S166 WeakPolarHBondContact O-CB 3.39Å; T162-S166 PolarHBondContact O-N 3.16Å; E163-S166 PolarHBondContact O-N 2.66Å; E163-S166 VanDerWaalsContact O-N 3.16Å; E163-S166 PolarHBondContact O-OG 3.44Å; S164-S166 PolarHBondContact O-N 2.68Å; S166-R169 PolarHBondContact O-N 2.71Å; S166-Q170 PolarHBondContact O-N 2.69Å
167	L	92.7	Very high	90.2	Very high	59 Å²	59	54 Å²	54	31%	0.309	26%	0.26	S	S	.	.	H	α-helix	trans	-62	-46.2	176.5	-65.6	175.7	0	0	0	111.5	F65 V69 H73 E163 S164 R169 Q170 F171	F65-L167 HydrophobicContact CZ-CB 4.39Å; V69-L167 HydrophobicContact CG1-CD1 4.38Å; H73-L167 HydrophobicContact CB-CD1 4.47Å; E163-L167 PolarHBondContact O-N 2.65Å; S164-L167 PolarHBondContact O-N 2.85Å; L167-R169 PolarHBondContact O-N 3.46Å; L167-Q170 PolarHBondContact O-N 3.4Å; L167-F171 PolarHBondContact O-N 3.03Å; L167-F171 VanDerWaalsContact O-N 3.11Å
168	L	91.7	Very high	89.8	Confident	7 Å²	7	58.5 Å²	58.5	4%	0.037	28%	0.284	C	S	.	.	H	α-helix	trans	-62.8	-42.9	177.2	178.3	65.9	0	0	0	111.5	F65 L77 L80 S164 Y165 F171 L172 L184	F65-L168 HydrophobicContact CD1-CD1 4.27Å; F65-L168 HydrophobicContact CE1-CB 4.36Å; F65-L168 HydrophobicContact CE1-CD1 3.79Å; L77-L168 HydrophobicContact CD2-CB 3.98Å; L77-L168 HydrophobicContact CD2-CD2 4.26Å; L80-L168 HydrophobicContact CD1-CD2 3.44Å; L80-L168 VanDerWaalsContact CD1-CD2 3.44Å; S164-L168 PolarHBondContact O-N 3.02Å; Y165-L168 PolarHBondContact O-N 3.17Å; L168-F171 PolarHBondContact O-N 3.1Å; L168-L172 HydrophobicContact CD1-CD1 4.05Å; L168-L172 HydrophobicContact CD1-CG 4.17Å; L168-L172 HydrophobicContact CG-CD1 3.91Å; L168-L172 HydrophobicContact CG-CG 4.4Å; L168-L172 WeakPolarHBondContact O-CB 3.07Å; L168-L172 VanDerWaalsContact O-CG 3.28Å; L168-L172 WeakPolarHBondContact O-CG 3.37Å; L168-L172 PolarHBondContact O-N 3.2Å; L168-L184 HydrophobicContact CD2-CD1 4.32Å
169	R	91.2	Very high	89.3	Confident	139 Å²	139	58.5 Å²	58.5	53%	0.525	28%	0.284	S	S	.	.	H	α-helix	trans	-63.8	-43.9	-179.6	-174.6	-178.7	176.9	-167.8	1.5	111.6	Y165 S166 L167 L172 Q173	Y165-R169 WeakPolarHBondContact O-CB 3.42Å; Y165-R169 PolarHBondContact O-N 2.96Å; S166-R169 PolarHBondContact O-N 2.71Å; L167-R169 PolarHBondContact O-N 3.46Å; R169-L172 PolarHBondContact O-N 2.94Å; R169-Q173 VanDerWaalsContact O-CG 3.32Å; R169-Q173 WeakPolarHBondContact O-CG 3.2Å; R169-Q173 PolarHBondContact O-N 2.96Å; R169-Q173 VanDerWaalsContact O-N 3.09Å
170	Q	92.2	Very high	89.1	Confident	113 Å²	113	58.6 Å²	58.6	53%	0.528	28%	0.284	S	S	.	.	H	α-helix	trans	-60	-48.7	176.5	-175.4	177.4	-3.4	0	0	110.7	S166 L167 L172 Q173 D174	S166-Q170 PolarHBondContact O-N 2.69Å; L167-Q170 PolarHBondContact O-N 3.4Å; Q170-L172 PolarHBondContact O-N 3.14Å; Q170-Q173 PolarHBondContact O-N 3.4Å; Q170-Q173 VanDerWaalsContact O-N 3.14Å; Q170-D174 VanDerWaalsContact O-CG 3.25Å; Q170-D174 PolarHBondContact O-N 2.81Å
171	F	92.2	Very high	88.8	Confident	24 Å²	24	60.7 Å²	60.7	11%	0.105	29%	0.294	C	S	.	.	H	α-helix	trans	-59	-42.3	178	176	-99.3	0	0	0	113.7	S61 I62 F65 L167 L168 Q173 D174 K175 M177	S61-F171 WeakPolarHBondContact O-CZ 3.37Å; I62-F171 HydrophobicContact CG1-CE1 4.36Å; F65-F171 HydrophobicContact CB-CD1 4.12Å; F65-F171 HydrophobicContact CB-CD2 4.09Å; F65-F171 HydrophobicContact CB-CE1 3.67Å; F65-F171 HydrophobicContact CB-CE2 3.62Å; F65-F171 HydrophobicContact CB-CG 4.3Å; F65-F171 HydrophobicContact CB-CZ 3.38Å; F65-F171 AromaticContact CD1-CD1 3.9Å; F65-F171 HydrophobicContact CD1-CD1 3.9Å; F65-F171 HydrophobicContact CD1-CE1 4.21Å; F65-F171 HydrophobicContact CD1-CG 4.1Å; F65-F171 HydrophobicContact CD2-CB 3.91Å; F65-F171 HydrophobicContact CD2-CD1 4.06Å; F65-F171 AromaticContact CD2-CD2 3.32Å; F65-F171 HydrophobicContact CD2-CD2 3.32Å; F65-F171 HydrophobicContact CD2-CE1 4.41Å; F65-F171 AromaticContact CD2-CE2 3.72Å; F65-F171 HydrophobicContact CD2-CE2 3.72Å; F65-F171 AromaticContact CD2-CG 3.49Å; F65-F171 HydrophobicContact CD2-CG 3.49Å; F65-F171 VanDerWaalsContact CD2-CG 3.49Å; F65-F171 HydrophobicContact CD2-CZ 4.24Å; F65-F171 HydrophobicContact CE1-CB 4.25Å; F65-F171 HydrophobicContact CE1-CD1 4.34Å; F65-F171 HydrophobicContact CE1-CG 4.31Å; F65-F171 HydrophobicContact CE2-CB 3.58Å; F65-F171 HydrophobicContact CE2-CD1 4.48Å; F65-F171 AromaticContact CE2-CD2 3.86Å; F65-F171 HydrophobicContact CE2-CD2 3.86Å; F65-F171 AromaticContact CE2-CG 3.73Å; F65-F171 HydrophobicContact CE2-CG 3.73Å; F65-F171 HydrophobicContact CG-CB 4.37Å; F65-F171 AromaticContact CG-CD1 3.74Å; F65-F171 HydrophobicContact CG-CD1 3.74Å; F65-F171 AromaticContact CG-CD2 3.76Å; F65-F171 HydrophobicContact CG-CD2 3.76Å; F65-F171 AromaticContact CG-CE1 3.84Å; F65-F171 HydrophobicContact CG-CE1 3.84Å; F65-F171 AromaticContact CG-CE2 3.84Å; F65-F171 HydrophobicContact CG-CE2 3.84Å; F65-F171 AromaticContact CG-CG 3.68Å; F65-F171 HydrophobicContact CG-CG 3.68Å; F65-F171 AromaticContact CG-CZ 3.87Å; F65-F171 HydrophobicContact CG-CZ 3.87Å; F65-F171 HydrophobicContact CZ-CB 3.77Å; F65-F171 HydrophobicContact CZ-CG 4.14Å; L167-F171 PolarHBondContact O-N 3.03Å; L167-F171 VanDerWaalsContact O-N 3.11Å; L168-F171 PolarHBondContact O-N 3.1Å; F171-Q173 VanDerWaalsContact C-N 3.29Å; F171-Q173 PolarHBondContact O-N 3.27Å; F171-D174 PolarHBondContact O-N 3.44Å; F171-K175 HydrophobicContact CD2-CD 4.42Å; F171-K175 HydrophobicContact CE1-CD 4.2Å; F171-K175 HydrophobicContact CE2-CD 3.62Å; F171-K175 HydrophobicContact CE2-CG 4.36Å; F171-K175 VanDerWaalsContact CE2-NZ 3.34Å; F171-K175 HydrophobicContact CZ-CD 3.49Å; F171-K175 VanDerWaalsContact CZ-CD 3.49Å; F171-K175 HydrophobicContact CZ-CG 4.49Å; F171-K175 PolarHBondContact O-N 3.35Å; F171-M177 HydrophobicContact CE1-CE 4.2Å; F171-M177 HydrophobicContact CE1-SD 4.33Å; F171-M177 HydrophobicContact CZ-CE 4.38Å
172	L	89.9	Confident	88.5	Confident	6 Å²	6	61.5 Å²	61.5	3%	0.031	30%	0.299	C	S	.	.	H	α-helix	trans	-69.8	-27.6	179.2	-70.7	173.7	0	0	0	112.9	I62 L168 R169 Q170 E176 M177 I180 Q181 L184	I62-L172 HydrophobicContact CD1-CD2 4.45Å; L168-L172 HydrophobicContact CD1-CD1 4.05Å; L168-L172 HydrophobicContact CD1-CG 4.17Å; L168-L172 HydrophobicContact CG-CD1 3.91Å; L168-L172 HydrophobicContact CG-CG 4.4Å; L168-L172 WeakPolarHBondContact O-CB 3.07Å; L168-L172 VanDerWaalsContact O-CG 3.28Å; L168-L172 WeakPolarHBondContact O-CG 3.37Å; L168-L172 PolarHBondContact O-N 3.2Å; R169-L172 PolarHBondContact O-N 2.94Å; Q170-L172 PolarHBondContact O-N 3.14Å; L172-E176 PolarHBondContact O-N 3.08Å; L172-M177 HydrophobicContact CD2-CB 4.05Å; L172-M177 HydrophobicContact CD2-SD 3.96Å; L172-M177 PolarHBondContact O-N 3.37Å; L172-I180 HydrophobicContact CD1-CG2 4.21Å; L172-I180 HydrophobicContact CD2-CB 4.21Å; L172-I180 HydrophobicContact CD2-CG2 3.79Å; L172-Q181 HydrophobicContact CB-CG 4.13Å; L172-Q181 PolarHBondContact O-NE2 2.98Å; L172-L184 HydrophobicContact CD1-CD1 3.39Å
173	Q	89.5	Confident	88.1	Confident	104 Å²	104	58.8 Å²	58.8	49%	0.486	28%	0.283	S	S	.	.	H	α-helix	trans	-74.8	-45.6	173.7	-73.8	176.4	-25.3	0	0	110.8	R169 Q170 F171 K175 E176	R169-Q173 VanDerWaalsContact O-CG 3.32Å; R169-Q173 WeakPolarHBondContact O-CG 3.2Å; R169-Q173 PolarHBondContact O-N 2.96Å; R169-Q173 VanDerWaalsContact O-N 3.09Å; Q170-Q173 PolarHBondContact O-N 3.4Å; Q170-Q173 VanDerWaalsContact O-N 3.14Å; F171-Q173 VanDerWaalsContact C-N 3.29Å; F171-Q173 PolarHBondContact O-N 3.27Å; Q173-K175 VanDerWaalsContact C-N 3.3Å; Q173-K175 PolarHBondContact O-N 3.35Å; Q173-E176 PolarHBondContact O-N 3.35Å
174	D	90.4	Very high	87.8	Confident	118 Å²	118	55 Å²	55	63%	0.631	27%	0.265	S	S	*	.	H	α-helix	trans	-63.3	-33	-178.1	-66.8	-14	0	0	0	113.2	Q170 F171	Q170-D174 VanDerWaalsContact O-CG 3.25Å; Q170-D174 PolarHBondContact O-N 2.81Å; F171-D174 PolarHBondContact O-N 3.44Å
175	K	86.8	Confident	87.5	Confident	107 Å²	107	64.2 Å²	64.2	47%	0.465	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	5.3	179.2	-68.5	-167.8	175.7	177.7	0	115	S61 F171 Q173 M177	S61-K175 WeakPolarHBondContact OG-CD 3.37Å; S61-K175 PolarHBondContact OG-NZ 3.23Å; F171-K175 HydrophobicContact CD2-CD 4.42Å; F171-K175 HydrophobicContact CE1-CD 4.2Å; F171-K175 HydrophobicContact CE2-CD 3.62Å; F171-K175 HydrophobicContact CE2-CG 4.36Å; F171-K175 VanDerWaalsContact CE2-NZ 3.34Å; F171-K175 HydrophobicContact CZ-CD 3.49Å; F171-K175 VanDerWaalsContact CZ-CD 3.49Å; F171-K175 HydrophobicContact CZ-CG 4.49Å; F171-K175 PolarHBondContact O-N 3.35Å; Q173-K175 VanDerWaalsContact C-N 3.3Å; Q173-K175 PolarHBondContact O-N 3.35Å; K175-M177 VanDerWaalsContact C-N 3.26Å; K175-M177 HydrophobicContact CB-CE 3.88Å; K175-M177 HydrophobicContact CB-CG 4.01Å; K175-M177 HydrophobicContact CD-CE 3.62Å; K175-M177 HydrophobicContact CG-CE 4.4Å; K175-M177 PolarHBondContact O-N 3.25Å; K175-M177 VanDerWaalsContact O-N 3.15Å
176	E	82.8	Confident	86.8	Confident	155 Å²	155	66.9 Å²	66.9	72%	0.724	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	38.9	179.2	-59.6	-171.9	164.9	0	0	114.8	L172 Q173 N178	L172-E176 PolarHBondContact O-N 3.08Å; Q173-E176 PolarHBondContact O-N 3.35Å; E176-N178 VanDerWaalsContact C-N 3.33Å; E176-N178 PolarHBondContact O-N 3.42Å
177	M	81.1	Confident	86.2	Confident	8 Å²	8	66.1 Å²	66.1	4%	0.039	31%	0.305	C	S	.	.			trans	-79.8	72.8	-176	-67.5	-175.5	179.3	0	0	113.2	S61 I62 F171 L172 K175 V179 I180 Q181	S61-M177 WeakPolarHBondContact OG-CE 3.17Å; I62-M177 HydrophobicContact CD1-SD 4.45Å; I62-M177 HydrophobicContact CG1-SD 4.15Å; F171-M177 HydrophobicContact CE1-CE 4.2Å; F171-M177 HydrophobicContact CE1-SD 4.33Å; F171-M177 HydrophobicContact CZ-CE 4.38Å; L172-M177 HydrophobicContact CD2-CB 4.05Å; L172-M177 HydrophobicContact CD2-SD 3.96Å; L172-M177 PolarHBondContact O-N 3.37Å; K175-M177 VanDerWaalsContact C-N 3.26Å; K175-M177 HydrophobicContact CB-CE 3.88Å; K175-M177 HydrophobicContact CB-CG 4.01Å; K175-M177 HydrophobicContact CD-CE 3.62Å; K175-M177 HydrophobicContact CG-CE 4.4Å; K175-M177 PolarHBondContact O-N 3.25Å; K175-M177 VanDerWaalsContact O-N 3.15Å; M177-V179 VanDerWaalsContact C-N 3.34Å; M177-V179 PolarHBondContact O-N 3.04Å; M177-I180 HydrophobicContact CB-CD1 4.05Å; M177-I180 HydrophobicContact CG-CD1 4.37Å; M177-I180 PolarHBondContact O-N 2.82Å; M177-I180 HydrophobicContact SD-CD1 3.75Å; M177-Q181 WeakPolarHBondContact O-CG 3.47Å; M177-Q181 PolarHBondContact O-N 3.13Å; M177-Q181 VanDerWaalsContact O-N 3.1Å
178	N	80.9	Confident	85.9	Confident	101 Å²	101	63.8 Å²	63.8	54%	0.54	29%	0.292	S	S	.	.	H	α-helix	trans	-59	-37.9	-173.9	-67.3	-39.4	0	0	0	114	E176 Q181 S182	E176-N178 VanDerWaalsContact C-N 3.33Å; E176-N178 PolarHBondContact O-N 3.42Å; N178-Q181 PolarHBondContact O-N 2.76Å; N178-S182 WeakPolarHBondContact O-CB 3.32Å; N178-S182 PolarHBondContact O-N 3.02Å
179	V	81	Confident	85.7	Confident	2 Å²	2	64.6 Å²	64.6	1%	0.012	30%	0.298	C	S	.	.	H	α-helix	trans	-62.9	-46.1	179.6	166.6	0	0	0	0	112.1	V48 D50 F55 M177 S182 I183	V48-V179 HydrophobicContact CG1-CG2 3.85Å; D50-V179 HydrophobicContact CB-CG2 3.98Å; D50-V179 WeakPolarHBondContact OD2-CG2 3.41Å; F55-V179 HydrophobicContact CE1-CG1 4.1Å; F55-V179 HydrophobicContact CZ-CG1 4.4Å; M177-V179 VanDerWaalsContact C-N 3.34Å; M177-V179 PolarHBondContact O-N 3.04Å; V179-S182 PolarHBondContact O-N 3.49Å; V179-I183 HydrophobicContact CG1-CD1 4.08Å; V179-I183 WeakPolarHBondContact O-CG1 3.44Å; V179-I183 PolarHBondContact O-N 3.42Å
180	I	84.9	Confident	85.6	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-68.9	-40.9	178.8	-69.4	126.6	0	0	0	110.2	N58 I62 I84 M88 L172 M177 S182 I183 L184	N58-I180 HydrophobicContact CB-CD1 3.84Å; I62-I180 HydrophobicContact CD1-CB 4.17Å; I62-I180 HydrophobicContact CD1-CD1 3.34Å; I62-I180 HydrophobicContact CD1-CG1 3.57Å; I62-I180 HydrophobicContact CD1-CG2 3.78Å; I62-I180 HydrophobicContact CG1-CD1 4.28Å; I84-I180 HydrophobicContact CD1-CG2 4.35Å; I84-I180 HydrophobicContact CG2-CG1 4.31Å; M88-I180 HydrophobicContact SD-CG1 4.28Å; L172-I180 HydrophobicContact CD1-CG2 4.21Å; L172-I180 HydrophobicContact CD2-CB 4.21Å; L172-I180 HydrophobicContact CD2-CG2 3.79Å; M177-I180 HydrophobicContact CB-CD1 4.05Å; M177-I180 HydrophobicContact CG-CD1 4.37Å; M177-I180 PolarHBondContact O-N 2.82Å; M177-I180 HydrophobicContact SD-CD1 3.75Å; I180-S182 VanDerWaalsContact C-N 3.27Å; I180-S182 PolarHBondContact O-N 2.98Å; I180-I183 PolarHBondContact O-N 3.08Å; I180-I183 VanDerWaalsContact O-N 3.11Å; I180-L184 HydrophobicContact CG2-CD1 4.28Å; I180-L184 HydrophobicContact CG2-CG 4.18Å; I180-L184 WeakPolarHBondContact O-CG 3.31Å; I180-L184 PolarHBondContact O-N 3.44Å
181	Q	85.4	Confident	85.4	Confident	47 Å²	47	55.9 Å²	55.9	22%	0.22	27%	0.265	C	S	.	.	H	α-helix	trans	-59.4	-38.2	175.4	-68.6	-172.8	25.9	0	0	112.5	L172 M177 N178 R185	L172-Q181 HydrophobicContact CB-CG 4.13Å; L172-Q181 PolarHBondContact O-NE2 2.98Å; M177-Q181 WeakPolarHBondContact O-CG 3.47Å; M177-Q181 PolarHBondContact O-N 3.13Å; M177-Q181 VanDerWaalsContact O-N 3.1Å; N178-Q181 PolarHBondContact O-N 2.76Å; Q181-R185 WeakPolarHBondContact O-CB 3.34Å; Q181-R185 PolarHBondContact O-N 3.26Å; Q181-R185 VanDerWaalsContact O-N 3.15Å
182	S	85	Confident	85.2	Confident	19 Å²	19	58.8 Å²	58.8	13%	0.133	28%	0.28	C	S	.	.	H	α-helix	trans	-64.6	-43.7	172.9	166.5	0	0	0	0	111.6	N178 V179 I180 L184 R185 E186	N178-S182 WeakPolarHBondContact O-CB 3.32Å; N178-S182 PolarHBondContact O-N 3.02Å; V179-S182 PolarHBondContact O-N 3.49Å; I180-S182 VanDerWaalsContact C-N 3.27Å; I180-S182 PolarHBondContact O-N 2.98Å; S182-L184 PolarHBondContact O-N 3.39Å; S182-R185 PolarHBondContact O-N 3.02Å; S182-E186 WeakPolarHBondContact O-CB 3.41Å; S182-E186 PolarHBondContact O-N 3.08Å; S182-E186 PolarHBondContact OG-OE1 3.29Å
183	I	84.3	Confident	85.1	Confident	2 Å²	2	59.5 Å²	59.5	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-60.5	-47.2	176.3	-67.4	166.3	0	0	0	111	H87 M88 V179 I180 R185 Q187 L188	H87-I183 HydrophobicContact CB-CD1 4.32Å; H87-I183 HydrophobicContact CB-CG1 4.39Å; H87-I183 HydrophobicContact CB-CG2 3.77Å; M88-I183 HydrophobicContact CG-CD1 3.59Å; V179-I183 HydrophobicContact CG1-CD1 4.08Å; V179-I183 WeakPolarHBondContact O-CG1 3.44Å; V179-I183 PolarHBondContact O-N 3.42Å; I180-I183 PolarHBondContact O-N 3.08Å; I180-I183 VanDerWaalsContact O-N 3.11Å; I183-R185 VanDerWaalsContact C-N 3.26Å; I183-R185 PolarHBondContact O-N 2.89Å; I183-Q187 PolarHBondContact O-N 3.45Å; I183-L188 HydrophobicContact CG2-CG 4.49Å; I183-L188 PolarHBondContact O-N 2.92Å
184	L	85.6	Confident	85	Confident	17 Å²	17	60.8 Å²	60.8	9%	0.089	29%	0.294	C	S	.	.	H	α-helix	trans	-61.8	-33.1	179.7	-67.8	-175.4	0	0	0	112.8	I84 L168 L172 I180 S182 L188 L190	I84-L184 HydrophobicContact CD1-CD2 4.12Å; I84-L184 HydrophobicContact CG1-CD2 4.3Å; L168-L184 HydrophobicContact CD2-CD1 4.32Å; L172-L184 HydrophobicContact CD1-CD1 3.39Å; I180-L184 HydrophobicContact CG2-CD1 4.28Å; I180-L184 HydrophobicContact CG2-CG 4.18Å; I180-L184 WeakPolarHBondContact O-CG 3.31Å; I180-L184 PolarHBondContact O-N 3.44Å; S182-L184 PolarHBondContact O-N 3.39Å; L184-L188 HydrophobicContact CD2-CD1 3.53Å; L184-L190 HydrophobicContact CB-CD1 4.33Å; L184-L190 HydrophobicContact CD2-CD1 4.35Å
185	R	85	Confident	84.6	Confident	195 Å²	195	56.4 Å²	56.4	74%	0.736	28%	0.277	S	S	*	.	H	α-helix	trans	-86.3	-37.9	-177.4	-169.5	-174.9	-58.9	165.2	4.7	113.3	Q181 S182 I183	Q181-R185 WeakPolarHBondContact O-CB 3.34Å; Q181-R185 PolarHBondContact O-N 3.26Å; Q181-R185 VanDerWaalsContact O-N 3.15Å; S182-R185 PolarHBondContact O-N 3.02Å; I183-R185 VanDerWaalsContact C-N 3.26Å; I183-R185 PolarHBondContact O-N 2.89Å
186	E	79	Confident	84.6	Confident	117 Å²	117	55.6 Å²	55.6	55%	0.547	28%	0.283	S	S	.	.	H	α-helix	trans	-99.1	-27.8	-170.1	-67.3	173.2	-144.3	0	0	114	S182	S182-E186 WeakPolarHBondContact O-CB 3.41Å; S182-E186 PolarHBondContact O-N 3.08Å; S182-E186 PolarHBondContact OG-OE1 3.29Å
187	Q	79.9	Confident	84.8	Confident	48 Å²	48	48.9 Å²	48.9	22%	0.224	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-21.5	-168.6	-54.3	-161.9	-11.5	0	0	113.4	H87 F156 I183	H87-Q187 PolarHBondContact CE1-OE1 3.39Å; H87-Q187 PolarHBondContact ND1-OE1 2.93Å; F156-Q187 PolarHBondContact N-O 3.47Å; I183-Q187 PolarHBondContact O-N 3.45Å
188	L	85.8	Confident	85	Confident	10 Å²	10	48.7 Å²	48.7	5%	0.052	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	142.3	177.5	-51.1	-171.7	0	0	0	111.4	L80 P83 I84 F156 I183 L184 L190	L80-L188 HydrophobicContact CD2-CD1 4.27Å; P83-L188 HydrophobicContact CB-CD1 4.42Å; P83-L188 HydrophobicContact CB-CD2 3.67Å; P83-L188 HydrophobicContact CG-CD1 4.4Å; P83-L188 HydrophobicContact CG-CD2 4.4Å; I84-L188 HydrophobicContact CG1-CD1 4.48Å; F156-L188 HydrophobicContact CB-CD2 3.79Å; F156-L188 HydrophobicContact CD1-CD2 4.42Å; F156-L188 HydrophobicContact CG-CD2 4.47Å; F156-L188 WeakPolarHBondContact O-CA 3.44Å; I183-L188 HydrophobicContact CG2-CG 4.49Å; I183-L188 PolarHBondContact O-N 2.92Å; L184-L188 HydrophobicContact CD2-CD1 3.53Å; L188-L190 HydrophobicContact CB-CD2 4.24Å; L188-L190 HydrophobicContact CB-CG 4.34Å; L188-L190 HydrophobicContact CD1-CD2 4.47Å
189	S	87.6	Confident	85.2	Confident	23 Å²	23	46.6 Å²	46.6	16%	0.161	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	94.6	168.7	-171.4	0	0	0	0	108	F156 V157 V158	F156-S189 PolarHBondContact O-N 2.9Å; V157-S189 WeakPolarHBondContact CA-O 3.29Å; V158-S189 PolarHBondContact N-O 3Å
190	L	88.6	Confident	85.3	Confident	40 Å²	40	52.9 Å²	52.9	21%	0.209	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	113.4	-179.7	-61.4	178.8	0	0	0	110.2	L80 V158 Y165 L184 L188	L80-L190 HydrophobicContact CD2-CD2 3.58Å; V158-L190 HydrophobicContact CB-CD2 4.06Å; V158-L190 WeakPolarHBondContact O-CA 3.34Å; Y165-L190 HydrophobicContact CD2-CD1 4.34Å; Y165-L190 HydrophobicContact CE2-CD1 3.67Å; L184-L190 HydrophobicContact CB-CD1 4.33Å; L184-L190 HydrophobicContact CD2-CD1 4.35Å; L188-L190 HydrophobicContact CB-CD2 4.24Å; L188-L190 HydrophobicContact CB-CG 4.34Å; L188-L190 HydrophobicContact CD1-CD2 4.47Å
191	E	88.7	Confident	85.1	Confident	30 Å²	30	56.3 Å²	56.3	14%	0.14	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	108.1	173.9	-69	-170.1	161	0	0	109.8	V157 V158 S159 V160 I193 R215 L216	V157-E191 HydrophobicContact CG1-CG 4.35Å; V158-E191 PolarHBondContact O-N 3.11Å; S159-E191 VanDerWaalsContact CA-O 3.32Å; S159-E191 WeakPolarHBondContact CA-O 3.45Å; V160-E191 PolarHBondContact N-O 2.86Å; E191-I193 PolarHBondContact O-N 2.93Å; E191-R215 WeakPolarHBondContact OE1-CA 3.36Å; E191-R215 WeakPolarHBondContact OE1-CB 3.43Å; E191-R215 WeakPolarHBondContact OE1-CG 3.32Å; E191-L216 HydrophobicContact CB-CD1 4.21Å; E191-L216 PolarHBondContact OE1-N 3.07Å; E191-L216 VanDerWaalsContact OE1-N 3.15Å; E191-L216 WeakPolarHBondContact OE2-CD1 3.4Å; E191-L216 WeakPolarHBondContact OE2-CG 3.47Å; E191-L216 PolarHBondContact OE2-N 2.95Å
192	I	88.4	Confident	84.9	Confident	84 Å²	84	56.1 Å²	56.1	43%	0.431	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	114.2	-178.8	-55.8	172.5	0	0	0	108.9	V160 T162 Y165	V160-I192 WeakPolarHBondContact O-CA 3.22Å; T162-I192 HydrophobicContact CG2-CG2 4.34Å; T162-I192 VanDerWaalsContact OG1-CG2 3.3Å; T162-I192 WeakPolarHBondContact OG1-CG2 3.39Å; Y165-I192 HydrophobicContact CD1-CD1 3.73Å; Y165-I192 HydrophobicContact CD1-CG1 4.29Å; Y165-I192 HydrophobicContact CE1-CD1 3.78Å; Y165-I192 HydrophobicContact CG-CD1 4.39Å; Y165-I192 HydrophobicContact CG-CG1 4.49Å
193	I	86.9	Confident	85	Confident	22 Å²	22	55.2 Å²	55.2	11%	0.113	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127.2	-179.8	-59.6	-179.9	0	0	0	109.8	V160 S161 T162 E191 G195 L216	V160-I193 PolarHBondContact O-N 3.31Å; S161-I193 WeakPolarHBondContact CA-O 3.21Å; T162-I193 PolarHBondContact N-O 3.22Å; T162-I193 PolarHBondContact OG1-O 2.91Å; E191-I193 PolarHBondContact O-N 2.93Å; I193-G195 PolarHBondContact O-N 3.35Å; I193-L216 HydrophobicContact CD1-CD1 4.18Å; I193-L216 HydrophobicContact CD1-CD2 4.36Å; I193-L216 HydrophobicContact CG1-CD1 3.9Å
194	N	86.3	Confident	84.9	Confident	130 Å²	130	56.7 Å²	56.7	70%	0.695	29%	0.291	S	S	*	.			trans	-77.8	115	169.1	-67.1	-36.1	0	0	0	109.7	T162	T162-N194 PolarHBondContact OG1-OD1 3.23Å
195	G	82.9	Confident	84.8	Confident	26 Å²	26	56 Å²	56	27%	0.268	29%	0.287	S	S	.	.	S	Bend	trans	155.7	174	179.7	0	0	0	0	0	111.5	I193	I193-G195 PolarHBondContact O-N 3.35Å
196	P	86.6	Confident	84.8	Confident	90 Å²	90	48.7 Å²	48.7	58%	0.584	26%	0.259	S	S	*	.	S	Bend	trans	-61.6	151.7	173.1	28.2	-34.7	0	0	0	110.5
197	P	87.4	Confident	85.1	Confident	15 Å²	15	44.1 Å²	44.1	10%	0.097	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-57.4	143.8	175.1	-23.5	33.7	0	0	0	112.3	M72 H73 E76	M72-P197 HydrophobicContact CE-CG 3.9Å; M72-P197 HydrophobicContact CG-CB 3.77Å; M72-P197 HydrophobicContact CG-CG 3.76Å; M72-P197 WeakPolarHBondContact O-CB 3.3Å; M72-P197 HydrophobicContact SD-CG 4.13Å; H73-P197 VanDerWaalsContact CE1-CG 3.48Å; H73-P197 WeakPolarHBondContact CE1-CG 3.17Å; H73-P197 WeakPolarHBondContact ND1-CG 3.35Å; E76-P197 HydrophobicContact CG-CB 4.38Å
198	R	84.6	Confident	85.3	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.015	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-69.8	143.5	-178.6	-64.6	177.8	-65.7	163.5	6.8	111.5	E76 S159 Q202 V203 E213 Y724	E76-R198 HydrophobicContact CG-CB 4.4Å; E76-R198 WeakPolarHBondContact OE1-CB 3.49Å; E76-R198 WeakPolarHBondContact OE1-CG 3.31Å; E76-R198 PolarHBondContact OE1-N 3.36Å; E76-R198 IonicContact OE1-NE 2.96Å; E76-R198 PolarHBondContact OE1-NE 3.34Å; S159-R198 PolarHBondContact O-NH2 2.83Å; R198-Q202 HydrophobicContact CB-CB 4.31Å; R198-V203 HydrophobicContact CB-CG2 3.67Å; R198-E213 IonicContact CZ-OE1 2.76Å; R198-E213 IonicContact CZ-OE2 3.41Å; R198-E213 IonicContact NH1-OE1 3.96Å; R198-E213 PolarHBondContact NH1-OE1 2.64Å; R198-E213 IonicContact NH1-OE2 2.93Å; R198-E213 PolarHBondContact NH1-OE2 2.87Å; R198-E213 IonicContact NH2-OE1 3.29Å; R198-E213 PolarHBondContact NH2-OE1 3.47Å; R198-Y724 VanDerWaalsContact CD-CE1 3.42Å; R198-Y724 HydrophobicContact CG-CD1 4.35Å; R198-Y724 HydrophobicContact CG-CE1 3.71Å; R198-Y724 HydrophobicContact CG-CE2 4.37Å
199	S	84.9	Confident	85.4	Confident	56 Å²	56	41.3 Å²	41.3	39%	0.392	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-68.9	158.7	171.1	66.6	0	0	0	0	111.6	L201 Q202 V203	S199-L201 PolarHBondContact O-N 3.03Å; S199-Q202 PolarHBondContact O-N 3.47Å; S199-Q202 VanDerWaalsContact OG-CG 3.24Å; S199-Q202 WeakPolarHBondContact OG-CG 3.41Å; S199-Q202 PolarHBondContact OG-OE1 3.17Å; S199-Q202 VanDerWaalsContact OG-OE1 3.08Å; S199-V203 PolarHBondContact O-N 2.79Å; S199-V203 VanDerWaalsContact O-N 3.11Å
200	K	84.4	Confident	85.3	Confident	134 Å²	134	41.2 Å²	41.2	58%	0.583	22%	0.221	S	C	*	.	H	α-helix	trans	-50.4	-44.2	177.3	-175.4	174	178.9	179.7	0	113	V75 Q202 V203 D204	V75-K200 VanDerWaalsContact CG1-CA 3.48Å; V75-K200 HydrophobicContact CG1-CB 4.02Å; V75-K200 HydrophobicContact CG1-CG 4.43Å; V75-K200 HydrophobicContact CG2-CB 4.17Å; K200-Q202 VanDerWaalsContact C-N 3.33Å; K200-Q202 PolarHBondContact O-N 2.75Å; K200-V203 PolarHBondContact O-N 3.45Å; K200-D204 WeakPolarHBondContact CG-OD2 3.46Å; K200-D204 WeakPolarHBondContact O-CB 3.35Å; K200-D204 PolarHBondContact O-N 3.01Å
201	L	80.5	Confident	85.2	Confident	73 Å²	73	40.1 Å²	40.1	38%	0.382	22%	0.215	S	C	.	.	H	α-helix	trans	-57.1	-45.7	178.4	-154	74.4	0	0	0	112.7	S199 D204 C205 S726 T728	S199-L201 PolarHBondContact O-N 3.03Å; L201-D204 PolarHBondContact O-N 3.29Å; L201-C205 PolarHBondContact O-N 3.14Å; L201-C205 PolarHBondContact O-SG 3.42Å; L201-S726 WeakPolarHBondContact CD2-O 3.31Å; L201-T728 WeakPolarHBondContact CD1-OG1 3.44Å; L201-T728 WeakPolarHBondContact CG-OG1 3.28Å
202	Q	81.7	Confident	85.2	Confident	43 Å²	43	38.9 Å²	38.9	20%	0.201	21%	0.21	C	C	.	.	H	α-helix	trans	-71.7	-36.3	-175.2	-64.1	163.2	-18.9	0	0	111.4	R198 S199 K200 Y724	R198-Q202 HydrophobicContact CB-CB 4.31Å; S199-Q202 PolarHBondContact O-N 3.47Å; S199-Q202 VanDerWaalsContact OG-CG 3.24Å; S199-Q202 WeakPolarHBondContact OG-CG 3.41Å; S199-Q202 PolarHBondContact OG-OE1 3.17Å; S199-Q202 VanDerWaalsContact OG-OE1 3.08Å; K200-Q202 VanDerWaalsContact C-N 3.33Å; K200-Q202 PolarHBondContact O-N 2.75Å; Q202-Y724 HydrophobicContact CB-CD1 4.22Å; Q202-Y724 HydrophobicContact CG-CD1 4.39Å; Q202-Y724 HydrophobicContact CG-CG 4.34Å; Q202-Y724 PolarHBondContact NE2-O 2.94Å
203	V	85.2	Confident	85.3	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-67.3	-43.6	172.7	172.2	0	0	0	0	110.3	V75 E76 T79 R198 S199 K200 C205 R206 R207	V75-V203 HydrophobicContact CG1-CB 4Å; V75-V203 HydrophobicContact CG1-CG1 4.3Å; V75-V203 HydrophobicContact CG1-CG2 3.88Å; E76-V203 HydrophobicContact CG-CG2 4.43Å; T79-V203 HydrophobicContact CG2-CG1 3.38Å; R198-V203 HydrophobicContact CB-CG2 3.67Å; S199-V203 PolarHBondContact O-N 2.79Å; S199-V203 VanDerWaalsContact O-N 3.11Å; K200-V203 PolarHBondContact O-N 3.45Å; V203-C205 VanDerWaalsContact C-N 3.35Å; V203-C205 PolarHBondContact O-N 3.43Å; V203-R206 PolarHBondContact O-N 3.12Å; V203-R206 VanDerWaalsContact O-N 3.13Å; V203-R207 WeakPolarHBondContact O-CG 3.29Å; V203-R207 PolarHBondContact O-N 3.17Å
204	D	83.5	Confident	85.4	Confident	34 Å²	34	34.1 Å²	34.1	18%	0.182	19%	0.186	C	C	.	.	H	α-helix	trans	-62.6	-37.1	177.2	-79.3	-30.1	0	0	0	112.9	K200 L201 R206 R207 K567	K200-D204 WeakPolarHBondContact CG-OD2 3.46Å; K200-D204 WeakPolarHBondContact O-CB 3.35Å; K200-D204 PolarHBondContact O-N 3.01Å; L201-D204 PolarHBondContact O-N 3.29Å; D204-R206 PolarHBondContact O-N 3.35Å; D204-R207 IonicContact OD1-CZ 2.75Å; D204-R207 IonicContact OD1-NE 3.44Å; D204-R207 PolarHBondContact OD1-NE 3Å; D204-R207 IonicContact OD1-NH2 4Å; D204-R207 PolarHBondContact OD1-NH2 2.86Å; D204-K567 WeakPolarHBondContact O-CE 3.43Å; D204-K567 PolarHBondContact O-NZ 3.43Å
205	C	82.4	Confident	85.4	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.007	17%	0.174	C	C	.	.	H	α-helix	trans	-66.1	-21.6	175.7	-67.2	0	0	0	0	113.7	L201 V203 T564 G565 Q601 T728	L201-C205 PolarHBondContact O-N 3.14Å; L201-C205 PolarHBondContact O-SG 3.42Å; V203-C205 VanDerWaalsContact C-N 3.35Å; V203-C205 PolarHBondContact O-N 3.43Å; C205-T564 VanDerWaalsContact O-O 3.12Å; C205-G565 WeakPolarHBondContact O-CA 3.46Å; C205-Q601 PolarHBondContact O-OE1 2.91Å; C205-T728 WeakPolarHBondContact SG-CG2 3.27Å
206	R	84.9	Confident	85.3	Confident	43 Å²	43	34.4 Å²	34.4	16%	0.162	17%	0.172	C	C	.	.	H	α-helix	trans	-106.7	-35.2	-173	-68.6	178.1	60.6	96.5	5.2	113.9	V203 D204 E213 A214 T564 G565	V203-R206 PolarHBondContact O-N 3.12Å; V203-R206 VanDerWaalsContact O-N 3.13Å; D204-R206 PolarHBondContact O-N 3.35Å; R206-E213 HydrophobicContact CB-CG 4.17Å; R206-E213 IonicContact CZ-OE2 2.98Å; R206-E213 IonicContact NE-OE2 3.44Å; R206-E213 PolarHBondContact NE-OE2 3.48Å; R206-E213 IonicContact NH2-OE2 3.84Å; R206-E213 PolarHBondContact NH2-OE2 3.17Å; R206-A214 PolarHBondContact NH2-O 2.93Å; R206-T564 CarbonylContact O-C 3.58Å; R206-T564 WeakPolarHBondContact O-CB 3.49Å; R206-T564 PolarHBondContact O-OG1 3.04Å; R206-G565 PolarHBondContact O-N 3.08Å
207	R	86.2	Confident	85.2	Confident	20 Å²	20	35.3 Å²	35.3	8%	0.075	17%	0.171	C	C	.	.			trans	-71.4	166	-178	72.2	-172.9	177.5	152.2	7.3	111.9	E123 F125 V203 D204 G565 K567	E123-R207 VanDerWaalsContact CD-NH1 3.33Å; E123-R207 VanDerWaalsContact CD-NH2 3.33Å; E123-R207 IonicContact OE1-CZ 3.58Å; E123-R207 VanDerWaalsContact OE1-CZ 3.31Å; E123-R207 IonicContact OE1-NH1 2.58Å; E123-R207 PolarHBondContact OE1-NH1 3.42Å; E123-R207 IonicContact OE1-NH2 2.76Å; E123-R207 PolarHBondContact OE1-NH2 3.31Å; E123-R207 IonicContact OE2-NH2 3.61Å; E123-R207 PolarHBondContact OE2-NH2 2.88Å; F125-R207 HydrophobicContact CZ-CG 4.11Å; V203-R207 WeakPolarHBondContact O-CG 3.29Å; V203-R207 PolarHBondContact O-N 3.17Å; D204-R207 IonicContact OD1-CZ 2.75Å; D204-R207 IonicContact OD1-NE 3.44Å; D204-R207 PolarHBondContact OD1-NE 3Å; D204-R207 IonicContact OD1-NH2 4Å; D204-R207 PolarHBondContact OD1-NH2 2.86Å; R207-G565 CarbonylContact O-C 3.59Å; R207-G565 WeakPolarHBondContact O-CA 3.45Å; R207-K567 PolarHBondContact O-NZ 2.86Å
208	G	84.2	Confident	85.2	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.			trans	121.9	-24.7	167.4	0	0	0	0	0	115.3	R547 H566	G208-R547 WeakPolarHBondContact O-CD 3.42Å; G208-R547 PolarHBondContact O-NH1 2.94Å; G208-R547 VanDerWaalsContact O-NH1 3.13Å; G208-H566 CarbonylContact C-O 3.32Å
209	A	87.3	Confident	85.3	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-69.9	152.4	173.6	0	0	0	0	0	111.8	F211 G212 A548 T564	A209-F211 HydrophobicContact CB-CD1 4.4Å; A209-F211 HydrophobicContact CB-CE1 4.05Å; A209-F211 HydrophobicContact CB-CZ 4.12Å; A209-F211 PolarHBondContact O-N 2.89Å; A209-G212 WeakPolarHBondContact CB-O 3.37Å; A209-G212 PolarHBondContact O-N 2.89Å; A209-A548 HydrophobicContact CB-CB 4.41Å; A209-T564 HydrophobicContact CB-CG2 3.8Å
210	L	85.8	Confident	85.4	Confident	20 Å²	20	40.3 Å²	40.3	11%	0.105	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-29.2	-173.2	-169.3	61.7	0	0	0	112.9	S150 F151 F156 D546	S150-L210 WeakPolarHBondContact OG-CD2 3.28Å; F151-L210 HydrophobicContact CD2-CD1 4.5Å; F151-L210 HydrophobicContact CE1-CD1 4.4Å; F151-L210 VanDerWaalsContact CE1-O 3.31Å; F151-L210 WeakPolarHBondContact CE1-O 3.47Å; F151-L210 HydrophobicContact CE2-CD1 3.55Å; F151-L210 HydrophobicContact CE2-CG 4.25Å; F151-L210 HydrophobicContact CZ-CD1 3.49Å; F151-L210 VanDerWaalsContact CZ-CD1 3.49Å; F151-L210 HydrophobicContact CZ-CG 4.2Å; F156-L210 WeakPolarHBondContact CD2-O 3.34Å; F156-L210 WeakPolarHBondContact CE2-O 3.49Å; L210-D546 PolarHBondContact N-O 3.35Å; L210-D546 VanDerWaalsContact N-O 3.17Å
211	F	87.4	Confident	85.5	Confident	18 Å²	18	37.4 Å²	37.4	8%	0.079	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	10.1	178.6	59.2	-94.4	0	0	0	113.6	F156 V157 A209 A548 I562 T564	F156-F211 WeakPolarHBondContact CA-O 3.32Å; V157-F211 PolarHBondContact N-O 3.29Å; A209-F211 HydrophobicContact CB-CD1 4.4Å; A209-F211 HydrophobicContact CB-CE1 4.05Å; A209-F211 HydrophobicContact CB-CZ 4.12Å; A209-F211 PolarHBondContact O-N 2.89Å; F211-A548 HydrophobicContact CE1-CB 3.6Å; F211-A548 HydrophobicContact CZ-CB 3.59Å; F211-I562 HydrophobicContact CE2-CG2 4.25Å; F211-I562 HydrophobicContact CZ-CG2 3.93Å; F211-T564 HydrophobicContact CE2-CG2 3.74Å; F211-T564 HydrophobicContact CZ-CG2 3.72Å
212	G	88.2	Confident	85.9	Confident	3 Å²	3	39.7 Å²	39.7	3%	0.031	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	87.8	-143.1	-177.2	0	0	0	0	0	113.2	V157 A209	V157-G212 WeakPolarHBondContact O-CA 3.49Å; A209-G212 WeakPolarHBondContact CB-O 3.37Å; A209-G212 PolarHBondContact O-N 2.89Å
213	E	89.8	Confident	86.3	Confident	5 Å²	5	37.9 Å²	37.9	2%	0.023	19%	0.191	C	C	.	.	S	Bend	trans	-84.4	161.3	-179.2	-61.2	-170.2	-158.1	0	0	112.4	V157 S159 R198 R206	V157-E213 VanDerWaalsContact CB-O 3.25Å; V157-E213 WeakPolarHBondContact CB-O 3.45Å; V157-E213 PolarHBondContact O-N 3.44Å; S159-E213 PolarHBondContact OG-OE2 3.47Å; R198-E213 IonicContact CZ-OE1 2.76Å; R198-E213 IonicContact CZ-OE2 3.41Å; R198-E213 IonicContact NH1-OE1 3.96Å; R198-E213 PolarHBondContact NH1-OE1 2.64Å; R198-E213 IonicContact NH1-OE2 2.93Å; R198-E213 PolarHBondContact NH1-OE2 2.87Å; R198-E213 IonicContact NH2-OE1 3.29Å; R198-E213 PolarHBondContact NH2-OE1 3.47Å; R206-E213 HydrophobicContact CB-CG 4.17Å; R206-E213 IonicContact CZ-OE2 2.98Å; R206-E213 IonicContact NE-OE2 3.44Å; R206-E213 PolarHBondContact NE-OE2 3.48Å; R206-E213 IonicContact NH2-OE2 3.84Å; R206-E213 PolarHBondContact NH2-OE2 3.17Å
214	A	88.3	Confident	86.6	Confident	2 Å²	2	40.5 Å²	40.5	2%	0.017	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-69.6	132.9	164.9	0	0	0	0	0	110.7	R206 I562 T564	R206-A214 PolarHBondContact NH2-O 2.93Å; A214-I562 HydrophobicContact CB-CB 3.9Å; A214-I562 HydrophobicContact CB-CG2 3.97Å; A214-I562 WeakPolarHBondContact CB-O 3.29Å; A214-T564 HydrophobicContact CB-CG2 4.15Å; A214-T564 PolarHBondContact N-OG1 2.78Å; A214-T564 VanDerWaalsContact N-OG1 3.13Å
215	R	87.6	Confident	86.8	Confident	120 Å²	120	40.1 Å²	40.1	45%	0.453	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-52.7	142.2	171.8	-70.8	-170	178.3	167.5	-1.4	111.2	E155 V157 E191 D217 A218	E155-R215 IonicContact OE2-CZ 3.43Å; E155-R215 IonicContact OE2-NH2 3.2Å; E155-R215 PolarHBondContact OE2-NH2 3.45Å; V157-R215 HydrophobicContact CG1-CG 4.12Å; V157-R215 HydrophobicContact CG2-CG 3.9Å; E191-R215 WeakPolarHBondContact OE1-CA 3.36Å; E191-R215 WeakPolarHBondContact OE1-CB 3.43Å; E191-R215 WeakPolarHBondContact OE1-CG 3.32Å; R215-D217 PolarHBondContact O-N 3.38Å; R215-D217 VanDerWaalsContact O-N 3.14Å; R215-A218 HydrophobicContact CB-CB 4.44Å; R215-A218 VanDerWaalsContact O-CB 3.31Å; R215-A218 WeakPolarHBondContact O-CB 3.33Å; R215-A218 PolarHBondContact O-N 2.92Å
216	L	80.7	Confident	87	Confident	42 Å²	42	40.1 Å²	40.1	22%	0.22	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-31.3	-178.1	-76.2	160	0	0	0	113.7	E191 I193 Y723	E191-L216 HydrophobicContact CB-CD1 4.21Å; E191-L216 PolarHBondContact OE1-N 3.07Å; E191-L216 VanDerWaalsContact OE1-N 3.15Å; E191-L216 WeakPolarHBondContact OE2-CD1 3.4Å; E191-L216 WeakPolarHBondContact OE2-CG 3.47Å; E191-L216 PolarHBondContact OE2-N 2.95Å; I193-L216 HydrophobicContact CD1-CD1 4.18Å; I193-L216 HydrophobicContact CD1-CD2 4.36Å; I193-L216 HydrophobicContact CG1-CD1 3.9Å; L216-Y723 HydrophobicContact CD2-CE1 3.93Å
217	D	85.1	Confident	87.1	Confident	108 Å²	108	41.3 Å²	41.3	58%	0.578	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-20.7	-179.9	-66.5	-26.6	0	0	0	113.5	R215 N219 K220	R215-D217 PolarHBondContact O-N 3.38Å; R215-D217 VanDerWaalsContact O-N 3.14Å; D217-N219 PolarHBondContact O-N 3.3Å; D217-N219 VanDerWaalsContact O-N 3.16Å; D217-K220 PolarHBondContact O-N 3.24Å; D217-K220 VanDerWaalsContact OD1-CE 3.28Å; D217-K220 WeakPolarHBondContact OD1-CE 3.23Å; D217-K220 IonicContact OD1-NZ 2.88Å; D217-K220 PolarHBondContact OD1-NZ 3.25Å
218	A	86.5	Confident	87.1	Confident	29 Å²	29	41.6 Å²	41.6	24%	0.24	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-23.7	-173.7	0	0	0	0	0	113.3	R215 T560 I562	R215-A218 HydrophobicContact CB-CB 4.44Å; R215-A218 VanDerWaalsContact O-CB 3.31Å; R215-A218 WeakPolarHBondContact O-CB 3.33Å; R215-A218 PolarHBondContact O-N 2.92Å; A218-T560 VanDerWaalsContact O-O 3.09Å; A218-I562 HydrophobicContact CB-CD1 4.04Å; A218-I562 HydrophobicContact CB-CG1 4.3Å
219	N	87.3	Confident	86.6	Confident	24 Å²	24	47.6 Å²	47.6	13%	0.128	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	12	-174.5	-67.5	-15.5	0	0	0	113.9	D217 R561 I562 G599	D217-N219 PolarHBondContact O-N 3.3Å; D217-N219 VanDerWaalsContact O-N 3.16Å; N219-R561 PolarHBondContact O-NH1 3.33Å; N219-R561 PolarHBondContact O-NH2 3.01Å; N219-R561 WeakPolarHBondContact OD1-CA 3.47Å; N219-I562 PolarHBondContact ND2-O 3.43Å; N219-I562 PolarHBondContact OD1-N 3.41Å; N219-I562 PolarHBondContact OD1-O 2.91Å; N219-G599 PolarHBondContact ND2-O 3.48Å
220	K	86.2	Confident	85.7	Confident	127 Å²	127	48.8 Å²	48.8	55%	0.552	24%	0.242	S	C	*	.			trans	-83.9	-26.8	-176.3	-69.8	-177.4	-179.3	170.7	0	114.5	D217	D217-K220 PolarHBondContact O-N 3.24Å; D217-K220 VanDerWaalsContact OD1-CE 3.28Å; D217-K220 WeakPolarHBondContact OD1-CE 3.23Å; D217-K220 IonicContact OD1-NZ 2.88Å; D217-K220 PolarHBondContact OD1-NZ 3.25Å
221	E	87.8	Confident	84.6	Confident	74 Å²	74	53.1 Å²	53.1	35%	0.346	27%	0.271	S	S	.	.	S	Bend	trans	-62.7	137.1	-174	-61.6	-164.7	152.6	0	0	111.8	V223 K558 R561	E221-V223 PolarHBondContact O-N 3.5Å; E221-K558 IonicContact OE1-NZ 3.48Å; E221-K558 PolarHBondContact OE1-NZ 3.32Å; E221-K558 IonicContact OE2-NZ 3.16Å; E221-R561 PolarHBondContact O-NH1 3.47Å; E221-R561 PolarHBondContact O-NH2 2.81Å
222	P	88.1	Confident	83.5	Confident	120 Å²	120	54.1 Å²	54.1	78%	0.779	28%	0.283	S	S	*	.			trans	-66	134.5	178.6	27.2	-33.8	0	0	0	111.4
223	V	90.4	Very high	82.5	Confident	6 Å²	6	55.7 Å²	55.7	4%	0.036	29%	0.29	C	S	.	.			trans	-110.3	127.6	177.7	168.8	0	0	0	0	109.1	E221 Y225 Y539 L551 R561 L596	E221-V223 PolarHBondContact O-N 3.5Å; V223-Y225 VanDerWaalsContact O-CD1 3.23Å; V223-Y225 WeakPolarHBondContact O-CD1 2.96Å; V223-Y225 PolarHBondContact O-N 2.99Å; V223-Y225 VanDerWaalsContact O-N 3.14Å; V223-Y539 WeakPolarHBondContact CA-OH 3.43Å; V223-Y539 HydrophobicContact CB-CE1 4.41Å; V223-Y539 HydrophobicContact CG1-CD1 4.24Å; V223-Y539 HydrophobicContact CG1-CD2 4.28Å; V223-Y539 HydrophobicContact CG1-CE1 3.78Å; V223-Y539 HydrophobicContact CG1-CE2 3.86Å; V223-Y539 HydrophobicContact CG1-CG 4.47Å; V223-Y539 HydrophobicContact CG2-CE1 4.2Å; V223-L551 HydrophobicContact CG1-CD2 4.1Å; V223-L551 HydrophobicContact CG2-CD2 4.31Å; V223-R561 HydrophobicContact CG2-CG 4.25Å; V223-R561 VanDerWaalsContact CG2-CZ 3.48Å; V223-L596 HydrophobicContact CG1-CB 4.2Å
224	L	91.1	Very high	81.1	Confident	55 Å²	55	60 Å²	60	29%	0.288	31%	0.314	S	S	.	.			trans	-85.2	74.5	177.6	-61	175.6	0	0	0	110.2	G226 N296 P298 N536 Y539	L224-G226 PolarHBondContact O-N 3.03Å; L224-N296 CarbonylContact C-O 3.59Å; L224-N296 WeakPolarHBondContact CA-O 3.44Å; L224-N296 WeakPolarHBondContact CB-O 3.46Å; L224-P298 HydrophobicContact CB-CB 4.29Å; L224-P298 HydrophobicContact CD1-CB 4.1Å; L224-N536 PolarHBondContact O-ND2 3.26Å; L224-Y539 HydrophobicContact CB-CE2 4.16Å; L224-Y539 PolarHBondContact N-OH 3.08Å; L224-Y539 VanDerWaalsContact O-CE2 3.22Å; L224-Y539 WeakPolarHBondContact O-CE2 3.42Å
225	Y	88.4	Confident	79.3	Confident	26 Å²	26	62.5 Å²	62.5	10%	0.102	33%	0.326	C	S	.	.			trans	-78.6	-3.3	-177.4	57.8	-96.6	0	0	0	114.2	V223 N296 H534 R580	V223-Y225 VanDerWaalsContact O-CD1 3.23Å; V223-Y225 WeakPolarHBondContact O-CD1 2.96Å; V223-Y225 PolarHBondContact O-N 2.99Å; V223-Y225 VanDerWaalsContact O-N 3.14Å; Y225-N296 HydrophobicContact CD1-CB 4.5Å; Y225-N296 HydrophobicContact CD2-CB 4.49Å; Y225-N296 HydrophobicContact CE1-CB 4.06Å; Y225-N296 HydrophobicContact CE2-CB 4.09Å; Y225-N296 PolarHBondContact N-O 3.34Å; Y225-N296 PolarHBondContact OH-ND2 3.32Å; Y225-H534 PolarHBondContact O-CE1 3.47Å; Y225-H534 VanDerWaalsContact O-CE1 3.25Å; Y225-H534 PolarHBondContact O-NE2 2.71Å; Y225-R580 HydrophobicContact CD2-CB 3.74Å; Y225-R580 HydrophobicContact CD2-CG 3.97Å; Y225-R580 HydrophobicContact CE2-CB 4.03Å; Y225-R580 HydrophobicContact CE2-CG 3.93Å; Y225-R580 HydrophobicContact CG-CB 4.48Å
226	G	86.7	Confident	77	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.01	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-63.2	149.1	178.8	0	0	0	0	0	112	L224 N296 P298 N536	L224-G226 PolarHBondContact O-N 3.03Å; G226-N296 WeakPolarHBondContact CA-O 3.45Å; G226-N296 PolarHBondContact N-O 2.93Å; G226-P298 WeakPolarHBondContact O-CD 3.34Å; G226-N536 WeakPolarHBondContact O-CB 3.16Å; G226-N536 PolarHBondContact O-ND2 2.95Å
227	L	86.3	Confident	75	Confident	68 Å²	68	65.8 Å²	65.8	36%	0.356	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-72	149.5	175.7	-58.9	179	0	0	0	110.6	R229 S297 P535 P577	L227-R229 PolarHBondContact O-N 3.31Å; L227-S297 WeakPolarHBondContact O-CB 3.41Å; L227-S297 PolarHBondContact O-OG 2.82Å; L227-P535 HydrophobicContact CD2-CB 3.63Å; L227-P535 HydrophobicContact CD2-CG 4.37Å; L227-P577 WeakPolarHBondContact CD1-O 3.21Å; L227-P577 WeakPolarHBondContact CD2-O 3.39Å
228	L	85.7	Confident	72.4	Confident	25 Å²	25	68.1 Å²	68.1	13%	0.131	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-69.7	129.1	170.7	-66.5	169.5	0	0	0	108.8	D230 P298 L300 L305 Y493 N536	L228-D230 PolarHBondContact O-N 3.02Å; L228-P298 HydrophobicContact CD2-CG 3.93Å; L228-L300 HydrophobicContact CB-CD1 4.35Å; L228-L300 HydrophobicContact CD1-CD1 4.23Å; L228-L300 HydrophobicContact CD2-CD1 4.2Å; L228-L300 HydrophobicContact CG-CD1 4.48Å; L228-L305 HydrophobicContact CD1-CD1 3.57Å; L228-Y493 HydrophobicContact CD1-CE2 3.79Å; L228-N536 HydrophobicContact CD1-CB 4.37Å; L228-N536 WeakPolarHBondContact CD1-O 3.46Å; L228-N536 HydrophobicContact CG-CB 3.93Å
229	R	74	Confident	69.7	Low	127 Å²	127	74.7 Å²	74.7	48%	0.479	40%	0.399	S	S	.	.			trans	-89.6	97.5	170	-66.6	-170.6	-173.6	174.9	4.1	108.2	L227 K292 D294	L227-R229 PolarHBondContact O-N 3.31Å; R229-K292 PolarHBondContact NH1-O 2.77Å; R229-K292 PolarHBondContact NH2-O 2.57Å; R229-D294 VanDerWaalsContact NH2-N 3.16Å
230	D	68.7	Low	67	Low	25 Å²	25	79.3 Å²	79.3	13%	0.134	42%	0.423	C	S	.	.			trans	-98.2	114.6	174	-164.4	-28	0	0	0	108.9	L228 A232 L233 D234 Y493	L228-D230 PolarHBondContact O-N 3.02Å; D230-A232 PolarHBondContact O-N 3.43Å; D230-A232 WeakPolarHBondContact OD1-CB 3.36Å; D230-A232 PolarHBondContact OD1-N 2.61Å; D230-A232 VanDerWaalsContact OD1-N 3.09Å; D230-L233 HydrophobicContact CB-CB 4.48Å; D230-L233 HydrophobicContact CB-CD1 4.24Å; D230-L233 HydrophobicContact CB-CG 4.47Å; D230-L233 PolarHBondContact O-N 3.4Å; D230-D234 PolarHBondContact O-N 2.7Å; D230-Y493 WeakPolarHBondContact CB-OH 3.37Å; D230-Y493 WeakPolarHBondContact OD2-CE1 3.27Å; D230-Y493 PolarHBondContact OD2-OH 2.82Å
231	P	62.1	Low	64.3	Low	110 Å²	110	77.1 Å²	77.1	71%	0.714	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.5	-179.8	23.7	-33	0	0	0	113.2
232	A	65	Low	61.4	Low	39 Å²	39	79.7 Å²	79.7	32%	0.322	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-25.5	175.3	0	0	0	0	0	113.6	D230 I313 Q317	D230-A232 PolarHBondContact O-N 3.43Å; D230-A232 WeakPolarHBondContact OD1-CB 3.36Å; D230-A232 PolarHBondContact OD1-N 2.61Å; D230-A232 VanDerWaalsContact OD1-N 3.09Å; A232-I313 HydrophobicContact CB-CD1 4.05Å; A232-I313 VanDerWaalsContact O-CG2 3.22Å; A232-I313 WeakPolarHBondContact O-CG2 3.31Å; A232-Q317 PolarHBondContact O-NE2 2.77Å
233	L	65.8	Low	58.5	Low	36 Å²	36	80.4 Å²	80.4	19%	0.188	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-22.4	-176.1	-70.2	172.6	0	0	0	113.2	D230 L235 L308 K316 T492	D230-L233 HydrophobicContact CB-CB 4.48Å; D230-L233 HydrophobicContact CB-CD1 4.24Å; D230-L233 HydrophobicContact CB-CG 4.47Å; D230-L233 PolarHBondContact O-N 3.4Å; L233-L235 PolarHBondContact O-N 3.14Å; L233-L308 HydrophobicContact CD1-CD1 3.91Å; L233-L308 HydrophobicContact CD2-CD1 4.08Å; L233-L308 HydrophobicContact CG-CD1 4.06Å; L233-K316 HydrophobicContact CD2-CD 3.87Å; L233-T492 HydrophobicContact CD1-CG2 3.49Å; L233-T492 VanDerWaalsContact CD1-CG2 3.49Å
234	D	61.6	Low	55.6	Low	96 Å²	96	83.4 Å²	83.4	51%	0.513	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-67.8	116.3	179.4	-77.1	-22.3	0	0	0	110.3	D230	D230-D234 PolarHBondContact O-N 2.7Å
235	L	49.6	Very low	52.5	Low	54 Å²	54	89.4 Å²	89.4	28%	0.283	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-66	132.9	168.4	-72.4	168.3	0	0	0	108.8	L233 V237 Q317 S320 R321	L233-L235 PolarHBondContact O-N 3.14Å; L235-V237 PolarHBondContact O-N 2.69Å; L235-V237 VanDerWaalsContact O-N 3.12Å; L235-Q317 HydrophobicContact CD2-CB 4.28Å; L235-Q317 HydrophobicContact CD2-CG 4.19Å; L235-S320 VanDerWaalsContact CD1-OG 3.25Å; L235-S320 WeakPolarHBondContact CD1-OG 3.31Å; L235-R321 HydrophobicContact CD2-CG 4.29Å
236	P	39.9	Very low	49.8	Very low	105 Å²	105	95.5 Å²	95.5	68%	0.682	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-59.4	117.3	158.5	-12.7	26.3	0	0	0	107.2	E238	P236-E238 PolarHBondContact O-N 2.89Å
237	V	38.9	Very low	47.3	Very low	127 Å²	127	101.3 Å²	101.3	77%	0.77	57%	0.571	S	S	*	*			trans	-71.3	87.2	165.3	-178.7	0	0	0	0	105.8	L235 M239	L235-V237 PolarHBondContact O-N 2.69Å; L235-V237 VanDerWaalsContact O-N 3.12Å; V237-M239 VanDerWaalsContact C-N 3.3Å; V237-M239 HydrophobicContact CG1-CG 4.29Å; V237-M239 PolarHBondContact O-N 3.12Å
238	E	30.8	Very low	44.7	Very low	157 Å²	157	105.8 Å²	105.8	73%	0.734	59%	0.593	S	S	*	*			trans	-68.2	99.1	160.5	-72.4	-174.3	167.8	0	0	106.2	P236 D240	P236-E238 PolarHBondContact O-N 2.89Å; E238-D240 PolarHBondContact O-N 2.73Å
239	M	28.9	Very low	42.3	Very low	167 Å²	167	112.3 Å²	112.3	82%	0.823	63%	0.628	S	S	*	*			trans	-65.5	88.9	156.6	-74.5	-178.8	59.9	0	0	106.1	V237 A241	V237-M239 VanDerWaalsContact C-N 3.3Å; V237-M239 HydrophobicContact CG1-CG 4.29Å; V237-M239 PolarHBondContact O-N 3.12Å; M239-A241 PolarHBondContact O-N 2.77Å
240	D	31	Very low	40.3	Very low	120 Å²	120	109.5 Å²	109.5	64%	0.642	64%	0.639	S	S	*	*			trans	-62.8	92.4	156.9	-74.2	-30.6	0	0	0	106.3	E238 D242	E238-D240 PolarHBondContact O-N 2.73Å; D240-D242 PolarHBondContact O-N 3.08Å; D240-D242 VanDerWaalsContact O-N 3.14Å
241	A	28.9	Very low	38.8	Very low	81 Å²	81	114.4 Å²	114.4	67%	0.669	68%	0.675	S	S	*	*			trans	-59	110.4	160	0	0	0	0	0	106.2	M239 P243	M239-A241 PolarHBondContact O-N 2.77Å; A241-P243 WeakPolarHBondContact O-CD 3.5Å; A241-P243 VanDerWaalsContact O-N 3.07Å
242	D	27.3	Very low	37.2	Very low	129 Å²	129	116.6 Å²	116.6	69%	0.69	68%	0.681	S	S	*	*			trans	-47.4	115.1	168.4	-78.2	-33.3	0	0	0	108.5	D240 G244	D240-D242 PolarHBondContact O-N 3.08Å; D240-D242 VanDerWaalsContact O-N 3.14Å; D242-G244 PolarHBondContact O-N 3.38Å
243	P	28.4	Very low	35.9	Very low	134 Å²	134	120.9 Å²	120.9	87%	0.87	70%	0.703	S	S	*	*	S	Bend	trans	-88.6	90	170	29.1	-18.4	0	0	0	106.9	A241	A241-P243 WeakPolarHBondContact O-CD 3.5Å; A241-P243 VanDerWaalsContact O-N 3.07Å
244	G	28.4	Very low	34.6	Very low	69 Å²	69	125.2 Å²	125.2	71%	0.711	73%	0.727	S	S	*	*	S	Bend	trans	156.9	47.3	171.5	0	0	0	0	0	118.1	D242	D242-G244 PolarHBondContact O-N 3.38Å
245	F	26.8	Very low	33.3	Very low	181 Å²	181	126.8 Å²	126.8	79%	0.794	74%	0.735	S	S	*	*			trans	-164.1	86.5	154	-153.7	-96.9	0	0	0	110
246	N	31	Very low	32.6	Very low	154 Å²	154	132.1 Å²	132.1	82%	0.824	76%	0.764	S	S	*	*			trans	-143.2	98	154.8	-93.4	-17.8	0	0	0	106.4
247	D	34.2	Very low	32.3	Very low	124 Å²	124	135.9 Å²	135.9	66%	0.663	77%	0.772	S	S	*	*			trans	35.8	99.6	135.5	-60.2	-23.8	0	0	0	117.4	D249	D247-D249 PolarHBondContact O-N 3.32Å
248	I	32.1	Very low	32.3	Very low	161 Å²	161	136.7 Å²	136.7	83%	0.826	77%	0.772	S	S	*	*			trans	-5.1	106.3	131.1	-55.8	160.9	0	0	0	113.1
249	D	34.7	Very low	32.6	Very low	162 Å²	162	136.7 Å²	136.7	87%	0.866	78%	0.777	S	S	*	*			trans	-165.5	139.2	130.3	-105.6	-18.3	0	0	0	111.1	D247	D247-D249 PolarHBondContact O-N 3.32Å
250	G	32.3	Very low	32.9	Very low	69 Å²	69	132.3 Å²	132.3	71%	0.711	78%	0.775	S	S	*	*			trans	-81.1	160.2	-152.7	0	0	0	0	0	117.8
251	S	36.7	Very low	33	Very low	127 Å²	127	133.3 Å²	133.3	89%	0.888	78%	0.781	S	S	*	*				-179.7	134.6	127.8	35.3	0	0	0	0	110
252	N	28.8	Very low	33.5	Very low	157 Å²	157	137.3 Å²	137.3	84%	0.84	79%	0.785	S	S	*	*			trans	-55.8	152.4	-179.2	-62.7	-37.4	0	0	0	113.4
253	V	38.8	Very low	33.8	Very low	128 Å²	128	137 Å²	137	78%	0.776	79%	0.793	S	S	*	*				171.1	108.2	114.4	169	0	0	0	0	109.9
254	D	37.3	Very low	34	Very low	128 Å²	128	137.5 Å²	137.5	68%	0.684	79%	0.794	S	S	*	*			trans	49	115.8	134.2	-56.7	-25.2	0	0	0	123.9
255	N	34.4	Very low	34.2	Very low	129 Å²	129	139 Å²	139	69%	0.69	80%	0.8	S	S	*	*				62.1	110.4	118.9	-54.9	-26.6	0	0	0	120.5
256	N	35.5	Very low	34.3	Very low	165 Å²	165	140.3 Å²	140.3	88%	0.882	81%	0.805	S	S	*	*				175.7	131	98.7	-90.6	-26.7	0	0	0	111.8
257	E	32.8	Very low	34.3	Very low	185 Å²	185	143.4 Å²	143.4	86%	0.864	81%	0.811	S	S	*	*			trans	-81.5	144	171.5	-60.4	174	152.5	0	0	110.2
258	D	38.2	Very low	34.1	Very low	144 Å²	144	147.1 Å²	147.1	77%	0.77	82%	0.821	S	S	*	*			trans	-173.3	113.8	136.6	-105.4	-28.2	0	0	0	112.7
259	N	37.1	Very low	34.2	Very low	156 Å²	156	149 Å²	149	83%	0.834	82%	0.823	S	S	*	*			trans	48.3	133.1	130.1	-69.8	-43.4	0	0	0	122.9
260	G	35.6	Very low	33.8	Very low	76 Å²	76	152.7 Å²	152.7	78%	0.784	83%	0.825	S	S	*	*			trans	129.7	81.7	134.6	0	0	0	0	0	118.4
261	D	34.5	Very low	33.7	Very low	141 Å²	141	157.8 Å²	157.8	75%	0.754	83%	0.827	S	S	*	*			trans	24.1	134.4	134.3	-94.6	14.5	0	0	0	123.5
262	Q	37.9	Very low	33.4	Very low	164 Å²	164	158.5 Å²	158.5	77%	0.766	82%	0.822	S	S	*	*			trans	83.8	121.2	139	-67.5	175.9	42.8	0	0	121.6
263	S	35.1	Very low	33.7	Very low	123 Å²	123	155 Å²	155	86%	0.86	82%	0.822	S	S	*	*				119.4	136.7	127.2	77.7	0	0	0	0	117.9
264	V	31.5	Very low	33.4	Very low	145 Å²	145	157.6 Å²	157.6	88%	0.879	83%	0.828	S	S	*	*			trans	-88.5	133.8	-170	171.7	0	0	0	0	110.6
265	A	33.3	Very low	33.2	Very low	101 Å²	101	159.5 Å²	159.5	84%	0.835	84%	0.835	S	S	*	*			trans	-156.2	119.3	156.1	0	0	0	0	0	113
266	K	28.5	Very low	33	Very low	207 Å²	207	159.2 Å²	159.2	90%	0.9	84%	0.843	S	S	*	*			trans	-68.3	136.6	169	-78.2	173.5	174	169.5	0	111.2
267	K	31.2	Very low	33	Very low	219 Å²	219	155.2 Å²	155.2	95%	0.952	84%	0.841	S	S	*	*			trans	-151.7	147.7	153.6	-123.3	172.4	-174.2	170.9	0	113.1
268	K	28.8	Very low	32.9	Very low	202 Å²	202	152.3 Å²	152.3	88%	0.878	84%	0.841	S	S	*	*			trans	-112.9	135.7	-167.1	-172.3	-174.9	-168.6	177.2	0	108.7
269	K	34.1	Very low	32.6	Very low	200 Å²	200	148.8 Å²	148.8	87%	0.87	84%	0.838	S	S	*	*			trans	175.3	117.8	155.2	-103.2	170.6	179.4	-174.6	0	109
270	R	26.9	Very low	32.5	Very low	241 Å²	241	150.1 Å²	150.1	91%	0.909	84%	0.839	S	S	*	*				65	113.9	79	-95	-169.5	173.5	-175.1	-1.2	115.8
271	K	31.5	Very low	32.2	Very low	175 Å²	175	152 Å²	152	76%	0.761	84%	0.84	S	S	*	*				111.1	119	120.9	-158.1	175.3	-179.4	-175.7	0	118.8
272	D	29.1	Very low	32.1	Very low	143 Å²	143	148.9 Å²	148.9	77%	0.765	84%	0.842	S	S	*	*			trans	45.1	132.7	144.3	-48.2	-18.6	0	0	0	122.8
273	G	35.1	Very low	31.5	Very low	82 Å²	82	152.6 Å²	152.6	85%	0.845	85%	0.849	S	S	*	*			trans	-167.6	127.3	164.6	0	0	0	0	0	111.9
274	M	32.7	Very low	31.2	Very low	183 Å²	183	152.7 Å²	152.7	90%	0.901	85%	0.846	S	S	*	*			trans	-87.2	153	-162.8	-84	154.6	121.9	0	0	115.8
275	M	32.2	Very low	31.1	Very low	168 Å²	168	150.9 Å²	150.9	83%	0.828	84%	0.841	S	S	*	*			trans	75.6	132	133.7	-68.6	-81.4	-104.2	0	0	123.5
276	S	31.9	Very low	30.8	Very low	124 Å²	124	154.4 Å²	154.4	87%	0.867	84%	0.844	S	S	*	*			trans	92.1	136.6	141.7	79.9	0	0	0	0	119.7
277	G	33.8	Very low	30.8	Very low	81 Å²	81	149.6 Å²	149.6	84%	0.835	84%	0.837	S	S	*	*			trans	136.2	101.5	159.8	0	0	0	0	0	115.2
278	S	32.6	Very low	30.7	Very low	124 Å²	124	148.7 Å²	148.7	87%	0.867	83%	0.833	S	S	*	*			trans	-72.3	149	179.3	51	0	0	0	0	115.8
279	G	30.7	Very low	30.7	Very low	69 Å²	69	144.8 Å²	144.8	71%	0.711	82%	0.821	S	S	*	*			trans	100.7	123.8	131.6	0	0	0	0	0	119.5
280	H	35	Very low	30.7	Very low	184 Å²	184	142.3 Å²	142.3	85%	0.852	82%	0.823	S	S	*	*			trans	91.7	108.4	154.5	-79.3	63.7	0	0	0	121.1
281	S	29.8	Very low	31.2	Very low	115 Å²	115	135.7 Å²	135.7	80%	0.804	81%	0.814	S	S	*	*			trans	49.1	104.5	138.5	61.4	0	0	0	0	119.6
282	G	31.6	Very low	31.8	Very low	77 Å²	77	134.7 Å²	134.7	79%	0.794	81%	0.809	S	S	*	*			trans	-172.2	115.4	162.8	0	0	0	0	0	112.7
283	R	26.8	Very low	33	Very low	241 Å²	241	132.2 Å²	132.2	91%	0.909	80%	0.803	S	S	*	*			trans	26.5	127.3	159.2	-77	176.3	170.2	177.3	-3.7	119.8	S285	R283-S285 PolarHBondContact O-N 3.32Å
284	P	28.8	Very low	34.4	Very low	125 Å²	125	131.6 Å²	131.6	81%	0.812	78%	0.781	S	S	*	*			trans	-72.2	114.6	170	30.4	-29.2	0	0	0	110.1	L286	P284-L286 PolarHBondContact O-N 2.91Å
285	S	28.7	Very low	36.5	Very low	108 Å²	108	128 Å²	128	76%	0.755	77%	0.773	S	S	*	*			trans	-68.7	117.7	168.6	53.8	0	0	0	0	110.4	R283 S287	R283-S285 PolarHBondContact O-N 3.32Å; S285-S287 PolarHBondContact O-N 3.3Å
286	L	26.9	Very low	39	Very low	174 Å²	174	122.5 Å²	122.5	91%	0.911	75%	0.747	S	S	*	*	S	Bend	trans	-70.5	102.4	166.5	-77.8	103.9	0	0	0	109.9	P284	P284-L286 PolarHBondContact O-N 2.91Å
287	S	28.8	Very low	41.6	Very low	106 Å²	106	118.1 Å²	118.1	74%	0.741	72%	0.717	S	S	*	*			trans	174.7	68.5	156.3	48.3	0	0	0	0	112	S285	S285-S287 PolarHBondContact O-N 3.3Å
288	K	28.8	Very low	44.2	Very low	200 Å²	200	114.7 Å²	114.7	87%	0.87	68%	0.68	S	S	*	*			trans	-154.5	9.3	169.2	-115	168.6	-170.4	177.6	0	116.9
289	D	28.5	Very low	46.8	Very low	120 Å²	120	111.4 Å²	111.4	64%	0.642	66%	0.66	S	S	*	*			trans	-99.9	24.1	-172.4	-91.5	-54.8	0	0	0	115.7	S291 K292	D289-S291 PolarHBondContact O-N 2.96Å; D289-K292 IonicContact OD1-NZ 2.75Å; D289-K292 PolarHBondContact OD1-NZ 2.87Å
290	V	33.5	Very low	49.4	Very low	148 Å²	148	112 Å²	112	90%	0.897	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-1.3	-174.6	-176.7	0	0	0	0	114.2
291	S	38.8	Very low	51.8	Low	103 Å²	103	109.9 Å²	109.9	72%	0.72	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.3	21.4	-173.5	64.9	0	0	0	0	116.7	D289 S293	D289-S291 PolarHBondContact O-N 2.96Å; S291-S293 PolarHBondContact O-N 2.79Å
292	K	43.3	Very low	54.6	Low	153 Å²	153	106.2 Å²	106.2	67%	0.665	61%	0.61	S	S	*	*			trans	-70.2	103.8	169.5	-78.1	173.2	-178.8	141.4	0	109.4	R229 D289	R229-K292 PolarHBondContact NH1-O 2.77Å; R229-K292 PolarHBondContact NH2-O 2.57Å; D289-K292 IonicContact OD1-NZ 2.75Å; D289-K292 PolarHBondContact OD1-NZ 2.87Å
293	S	53.6	Low	57.4	Low	92 Å²	92	102.9 Å²	102.9	64%	0.643	57%	0.574	S	S	*	*			trans	-52.8	137	167.2	45.8	0	0	0	0	109.3	S291 S295	S291-S293 PolarHBondContact O-N 2.79Å; S293-S295 PolarHBondContact O-N 3.19Å; S293-S295 VanDerWaalsContact O-N 3.07Å
294	D	65.3	Low	60.4	Low	69 Å²	69	96.3 Å²	96.3	37%	0.369	56%	0.562	S	S	.	*			trans	-64.9	115.5	170.9	178.2	-3.6	0	0	0	106.5	R229 N296 S297	R229-D294 VanDerWaalsContact NH2-N 3.16Å; D294-N296 PolarHBondContact O-N 2.82Å; D294-N296 PolarHBondContact OD1-N 2.61Å; D294-N296 PolarHBondContact OD1-ND2 2.89Å; D294-N296 VanDerWaalsContact OD1-ND2 3.1Å; D294-S297 WeakPolarHBondContact CB-OG 3.41Å; D294-S297 WeakPolarHBondContact O-CB 3.47Å; D294-S297 PolarHBondContact O-N 3.43Å; D294-S297 PolarHBondContact O-OG 3.16Å; D294-S297 VanDerWaalsContact O-OG 3.06Å
295	S	76.4	Confident	63.2	Low	107 Å²	107	92.2 Å²	92.2	75%	0.748	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-17.7	-175.2	-178.3	0	0	0	0	113.2	S293	S293-S295 PolarHBondContact O-N 3.19Å; S293-S295 VanDerWaalsContact O-N 3.07Å
296	N	85.2	Confident	65.9	Low	53 Å²	53	89 Å²	89	28%	0.283	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	5.9	179.3	-51	-74.9	0	0	0	113.6	L224 Y225 G226 D294	L224-N296 CarbonylContact C-O 3.59Å; L224-N296 WeakPolarHBondContact CA-O 3.44Å; L224-N296 WeakPolarHBondContact CB-O 3.46Å; Y225-N296 HydrophobicContact CD1-CB 4.5Å; Y225-N296 HydrophobicContact CD2-CB 4.49Å; Y225-N296 HydrophobicContact CE1-CB 4.06Å; Y225-N296 HydrophobicContact CE2-CB 4.09Å; Y225-N296 PolarHBondContact N-O 3.34Å; Y225-N296 PolarHBondContact OH-ND2 3.32Å; G226-N296 WeakPolarHBondContact CA-O 3.45Å; G226-N296 PolarHBondContact N-O 2.93Å; D294-N296 PolarHBondContact O-N 2.82Å; D294-N296 PolarHBondContact OD1-N 2.61Å; D294-N296 PolarHBondContact OD1-ND2 2.89Å; D294-N296 VanDerWaalsContact OD1-ND2 3.1Å
297	S	86.1	Confident	68.5	Low	31 Å²	31	90.7 Å²	90.7	22%	0.217	51%	0.51	C	S	.	.	P	Polyproline II helix	trans	-86.6	131.5	178.9	-49.4	0	0	0	0	110.5	L227 D294	L227-S297 WeakPolarHBondContact O-CB 3.41Å; L227-S297 PolarHBondContact O-OG 2.82Å; D294-S297 WeakPolarHBondContact CB-OG 3.41Å; D294-S297 WeakPolarHBondContact O-CB 3.47Å; D294-S297 PolarHBondContact O-N 3.43Å; D294-S297 PolarHBondContact O-OG 3.16Å; D294-S297 VanDerWaalsContact O-OG 3.06Å
298	P	89.6	Confident	71.1	Confident	9 Å²	9	87 Å²	87	6%	0.058	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-66.8	154.1	172.7	27.7	-30.1	0	0	0	110.9	L224 G226 L228 N536 N538	L224-P298 HydrophobicContact CB-CB 4.29Å; L224-P298 HydrophobicContact CD1-CB 4.1Å; G226-P298 WeakPolarHBondContact O-CD 3.34Å; L228-P298 HydrophobicContact CD2-CG 3.93Å; P298-N536 HydrophobicContact CG-CB 4.25Å; P298-N538 HydrophobicContact CG-CB 4.38Å; P298-N538 WeakPolarHBondContact CG-ND2 3.38Å
299	A	86.7	Confident	73.5	Confident	56 Å²	56	84.1 Å²	84.1	46%	0.463	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-66.5	146.2	171.5	0	0	0	0	0	110.4	D301 R302	A299-D301 WeakPolarHBondContact CB-OD1 3.23Å; A299-D301 PolarHBondContact O-N 3.3Å; A299-R302 WeakPolarHBondContact O-CB 3.41Å; A299-R302 PolarHBondContact O-N 3.33Å; A299-R302 VanDerWaalsContact O-N 3.09Å
300	L	84.5	Confident	76.1	Confident	82 Å²	82	85.7 Å²	85.7	43%	0.429	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-63.9	-28.2	-176.3	-167.7	68.5	0	0	0	112.4	L228 R302 L305	L228-L300 HydrophobicContact CB-CD1 4.35Å; L228-L300 HydrophobicContact CD1-CD1 4.23Å; L228-L300 HydrophobicContact CD2-CD1 4.2Å; L228-L300 HydrophobicContact CG-CD1 4.48Å; L300-R302 VanDerWaalsContact C-N 3.34Å; L300-L305 HydrophobicContact CD1-CD1 3.69Å; L300-L305 HydrophobicContact CG-CD1 4.4Å
301	D	86.2	Confident	78.3	Confident	138 Å²	138	82 Å²	82	74%	0.738	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-86.2	0.7	178.2	65.4	-28.4	0	0	0	113.7	A299 I303	A299-D301 WeakPolarHBondContact CB-OD1 3.23Å; A299-D301 PolarHBondContact O-N 3.3Å; D301-I303 PolarHBondContact O-N 3.42Å
302	R	89.2	Confident	80.4	Confident	38 Å²	38	78.1 Å²	78.1	14%	0.143	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-59.9	-36.4	179.5	-175.9	174.7	-175	-88.9	1	112.1	A299 L300 N538 D553 R555	A299-R302 WeakPolarHBondContact O-CB 3.41Å; A299-R302 PolarHBondContact O-N 3.33Å; A299-R302 VanDerWaalsContact O-N 3.09Å; L300-R302 VanDerWaalsContact C-N 3.34Å; R302-N538 VanDerWaalsContact CD-OD1 3.28Å; R302-N538 WeakPolarHBondContact CD-OD1 3.48Å; R302-N538 WeakPolarHBondContact CG-OD1 3.41Å; R302-N538 PolarHBondContact NH1-OD1 2.85Å; R302-D553 IonicContact CZ-OD1 3.02Å; R302-D553 VanDerWaalsContact CZ-OD1 3.24Å; R302-D553 IonicContact NH1-OD1 2.69Å; R302-D553 PolarHBondContact NH1-OD1 3.03Å; R302-D553 IonicContact NH2-OD1 3.31Å; R302-D553 PolarHBondContact NH2-OD1 3.5Å; R302-D553 IonicContact NH2-OD2 2.68Å; R302-D553 PolarHBondContact NH2-OD2 3.11Å; R302-R555 WeakPolarHBondContact O-CD 3.35Å
303	I	89.9	Confident	82.3	Confident	8 Å²	8	72 Å²	72	4%	0.041	39%	0.394	C	S	.	.	S	Bend	trans	-132.3	147	171.9	56.5	171.7	0	0	0	108.1	D301 L305 V537 R555	D301-I303 PolarHBondContact O-N 3.42Å; I303-L305 HydrophobicContact CD1-CD2 3.9Å; I303-L305 HydrophobicContact CG1-CD2 4.05Å; I303-L305 HydrophobicContact CG1-CG 4.19Å; I303-L305 PolarHBondContact O-N 3.15Å; I303-V537 HydrophobicContact CD1-CB 3.88Å; I303-V537 HydrophobicContact CD1-CG1 3.75Å; I303-V537 WeakPolarHBondContact CD1-O 3.26Å; I303-R555 HydrophobicContact CG2-CB 4.2Å
304	P	89.1	Confident	83.7	Confident	102 Å²	102	73.6 Å²	73.6	66%	0.662	39%	0.391	S	S	*	.			trans	-65.1	125	175.1	21.6	-24.6	0	0	0	109.5	Y496	P304-Y496 WeakPolarHBondContact CG-OH 3.45Å; P304-Y496 WeakPolarHBondContact O-CE2 3.49Å; P304-Y496 PolarHBondContact O-OH 3.42Å
305	L	87.2	Confident	84.4	Confident	40 Å²	40	73.4 Å²	73.4	21%	0.209	40%	0.395	C	S	.	.			trans	-115.7	138.3	177.4	-66.5	171.1	0	0	0	109.6	L228 L300 I303 Y493 V537	L228-L305 HydrophobicContact CD1-CD1 3.57Å; L300-L305 HydrophobicContact CD1-CD1 3.69Å; L300-L305 HydrophobicContact CG-CD1 4.4Å; I303-L305 HydrophobicContact CD1-CD2 3.9Å; I303-L305 HydrophobicContact CG1-CD2 4.05Å; I303-L305 HydrophobicContact CG1-CG 4.19Å; I303-L305 PolarHBondContact O-N 3.15Å; L305-Y493 HydrophobicContact CB-CD1 4.48Å; L305-Y493 HydrophobicContact CD1-CE1 4.49Å; L305-Y493 HydrophobicContact CD1-CE2 4.32Å; L305-Y493 HydrophobicContact CD2-CD2 4.3Å; L305-Y493 HydrophobicContact CD2-CG 4.29Å; L305-V537 HydrophobicContact CD2-CB 4.28Å; L305-V537 HydrophobicContact CD2-CG1 4.28Å
306	P	85.6	Confident	84.6	Confident	41 Å²	41	71.4 Å²	71.4	27%	0.266	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-66.6	148.5	176.4	31.3	-37.9	0	0	0	110.4	L308 Y493 H495	P306-L308 PolarHBondContact O-N 3Å; P306-Y493 WeakPolarHBondContact CG-O 3.43Å; P306-H495 HydrophobicContact CB-CB 4.36Å; P306-H495 HydrophobicContact CG-CB 3.73Å
307	K	82.5	Confident	84.4	Confident	208 Å²	208	70.9 Å²	70.9	90%	0.904	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-69.2	124.4	166.5	-68.1	-176	179.8	-179.4	0	108.7
308	L	82.3	Confident	84.3	Confident	30 Å²	30	71.8 Å²	71.8	16%	0.157	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-65.3	143.5	175.2	-68.6	174.7	0	0	0	110.4	L233 P306 Y312 I313 T492 Y493	L233-L308 HydrophobicContact CD1-CD1 3.91Å; L233-L308 HydrophobicContact CD2-CD1 4.08Å; L233-L308 HydrophobicContact CG-CD1 4.06Å; P306-L308 PolarHBondContact O-N 3Å; L308-Y312 HydrophobicContact CD1-CE1 4.4Å; L308-Y312 HydrophobicContact CD2-CD1 3.8Å; L308-Y312 HydrophobicContact CD2-CE1 3.72Å; L308-I313 HydrophobicContact CB-CD1 3.87Å; L308-I313 HydrophobicContact CB-CG1 3.86Å; L308-I313 HydrophobicContact CD1-CG1 4.31Å; L308-T492 HydrophobicContact CD1-CG2 4.48Å; L308-Y493 HydrophobicContact CD1-CD1 4.15Å; L308-Y493 HydrophobicContact CD1-CE1 4.07Å; L308-Y493 HydrophobicContact CD2-CD1 4.05Å; L308-Y493 HydrophobicContact CG-CD1 3.97Å; L308-Y493 HydrophobicContact CG-CE1 4.28Å
309	R	81.2	Confident	83.8	Confident	138 Å²	138	74.1 Å²	74.1	52%	0.521	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-72.9	141.6	173.1	-64.1	-177.8	-171.7	162.8	3.1	109.9	S311 Y312 I313 D449 Q451	R309-S311 VanDerWaalsContact C-N 3.29Å; R309-S311 PolarHBondContact O-N 3.22Å; R309-Y312 PolarHBondContact O-N 3Å; R309-I313 PolarHBondContact O-N 3.38Å; R309-I313 VanDerWaalsContact O-N 3.12Å; R309-D449 IonicContact NH1-OD2 3.32Å; R309-Q451 VanDerWaalsContact NH1-NE2 3.16Å
310	E	82.2	Confident	83.4	Confident	154 Å²	154	73.5 Å²	73.5	72%	0.72	38%	0.383	S	S	*	.	H	α-helix	trans	-54.7	-44.1	179.1	-68.3	175.4	178.1	0	0	112	Y312 I313 E314	E310-Y312 PolarHBondContact O-N 3.06Å; E310-I313 WeakPolarHBondContact O-CB 3.36Å; E310-I313 PolarHBondContact O-N 3.35Å; E310-I313 VanDerWaalsContact O-N 3.1Å; E310-E314 WeakPolarHBondContact O-CG 3.47Å; E310-E314 PolarHBondContact O-N 3.12Å
311	S	80.3	Confident	83.4	Confident	71 Å²	71	76.1 Å²	76.1	50%	0.497	39%	0.387	S	S	.	.	H	α-helix	trans	-59.4	-32.9	178.3	62.9	0	0	0	0	114.1	R309 S315	R309-S311 VanDerWaalsContact C-N 3.29Å; R309-S311 PolarHBondContact O-N 3.22Å; S311-S315 PolarHBondContact O-N 3.33Å; S311-S315 VanDerWaalsContact O-N 3.1Å; S311-S315 PolarHBondContact O-OG 3.09Å
312	Y	82.2	Confident	83.2	Confident	21 Å²	21	75 Å²	75	8%	0.082	38%	0.377	C	S	.	.	H	α-helix	trans	-79.3	-35.2	178.5	171.3	-101.3	0	0	0	111.5	L308 R309 E310 S315 K316 P448 D449 T492	L308-Y312 HydrophobicContact CD1-CE1 4.4Å; L308-Y312 HydrophobicContact CD2-CD1 3.8Å; L308-Y312 HydrophobicContact CD2-CE1 3.72Å; R309-Y312 PolarHBondContact O-N 3Å; E310-Y312 PolarHBondContact O-N 3.06Å; Y312-S315 PolarHBondContact O-OG 2.68Å; Y312-K316 WeakPolarHBondContact O-CB 3.28Å; Y312-K316 PolarHBondContact O-N 2.88Å; Y312-P448 HydrophobicContact CE2-CB 4.06Å; Y312-P448 VanDerWaalsContact CE2-O 3.32Å; Y312-P448 WeakPolarHBondContact CE2-O 3.07Å; Y312-P448 WeakPolarHBondContact OH-CB 3.45Å; Y312-D449 HydrophobicContact CD2-CB 4.28Å; Y312-T492 WeakPolarHBondContact CE1-O 3.31Å; Y312-T492 VanDerWaalsContact CZ-O 3.3Å; Y312-T492 WeakPolarHBondContact OH-CA 3.3Å; Y312-T492 PolarHBondContact OH-O 2.99Å
313	I	82.4	Confident	82.7	Confident	25 Å²	25	74.9 Å²	74.9	13%	0.128	38%	0.379	C	S	.	.	H	α-helix	trans	-62.7	-47.3	171.8	-64.9	162.1	0	0	0	109.4	A232 L308 R309 E310 S315 K316 Q317	A232-I313 HydrophobicContact CB-CD1 4.05Å; A232-I313 VanDerWaalsContact O-CG2 3.22Å; A232-I313 WeakPolarHBondContact O-CG2 3.31Å; L308-I313 HydrophobicContact CB-CD1 3.87Å; L308-I313 HydrophobicContact CB-CG1 3.86Å; L308-I313 HydrophobicContact CD1-CG1 4.31Å; R309-I313 PolarHBondContact O-N 3.38Å; R309-I313 VanDerWaalsContact O-N 3.12Å; E310-I313 WeakPolarHBondContact O-CB 3.36Å; E310-I313 PolarHBondContact O-N 3.35Å; E310-I313 VanDerWaalsContact O-N 3.1Å; I313-S315 PolarHBondContact O-N 3.47Å; I313-K316 PolarHBondContact O-N 2.91Å; I313-Q317 HydrophobicContact CG2-CG 4.25Å; I313-Q317 WeakPolarHBondContact O-CB 3.42Å; I313-Q317 VanDerWaalsContact O-CG 3.27Å; I313-Q317 WeakPolarHBondContact O-CG 3.38Å; I313-Q317 PolarHBondContact O-N 3.13Å
314	E	82.9	Confident	82.2	Confident	124 Å²	124	77.5 Å²	77.5	58%	0.579	40%	0.398	S	S	*	.	H	α-helix	trans	-58.9	-46.4	177.8	-73.1	174.1	175.4	0	0	112.2	E310 K316 Q317 A318	E310-E314 WeakPolarHBondContact O-CG 3.47Å; E310-E314 PolarHBondContact O-N 3.12Å; E314-K316 PolarHBondContact O-N 3.13Å; E314-Q317 PolarHBondContact O-N 2.92Å; E314-A318 WeakPolarHBondContact O-CB 3.36Å; E314-A318 PolarHBondContact O-N 2.73Å
315	S	80.8	Confident	82	Confident	65 Å²	65	76.2 Å²	76.2	46%	0.455	39%	0.388	S	S	.	.	H	α-helix	trans	-63.8	-42	178.7	68.2	0	0	0	0	112	S311 Y312 I313 A318 L319	S311-S315 PolarHBondContact O-N 3.33Å; S311-S315 VanDerWaalsContact O-N 3.1Å; S311-S315 PolarHBondContact O-OG 3.09Å; Y312-S315 PolarHBondContact O-OG 2.68Å; I313-S315 PolarHBondContact O-N 3.47Å; S315-A318 PolarHBondContact O-N 3.45Å; S315-L319 WeakPolarHBondContact O-CB 3.49Å; S315-L319 PolarHBondContact O-N 3.49Å
316	K	80.2	Confident	81.7	Confident	66 Å²	66	77.5 Å²	77.5	29%	0.287	40%	0.395	S	S	.	.	H	α-helix	trans	-67.6	-38.4	177.3	-174.1	167	175.6	179.2	0	112.3	L233 Y312 I313 E314 S320 T492	L233-K316 HydrophobicContact CD2-CD 3.87Å; Y312-K316 WeakPolarHBondContact O-CB 3.28Å; Y312-K316 PolarHBondContact O-N 2.88Å; I313-K316 PolarHBondContact O-N 2.91Å; E314-K316 PolarHBondContact O-N 3.13Å; K316-S320 WeakPolarHBondContact O-CB 3.18Å; K316-S320 PolarHBondContact O-N 3.44Å; K316-T492 PolarHBondContact NZ-OG1 3.29Å
317	Q	81.8	Confident	81.2	Confident	42 Å²	42	78.2 Å²	78.2	20%	0.196	40%	0.396	C	S	.	.	H	α-helix	trans	-66	-42.9	173.4	-74.5	-179.5	6.8	0	0	111.4	A232 L235 I313 E314 S320 R321	A232-Q317 PolarHBondContact O-NE2 2.77Å; L235-Q317 HydrophobicContact CD2-CB 4.28Å; L235-Q317 HydrophobicContact CD2-CG 4.19Å; I313-Q317 HydrophobicContact CG2-CG 4.25Å; I313-Q317 WeakPolarHBondContact O-CB 3.42Å; I313-Q317 VanDerWaalsContact O-CG 3.27Å; I313-Q317 WeakPolarHBondContact O-CG 3.38Å; I313-Q317 PolarHBondContact O-N 3.13Å; E314-Q317 PolarHBondContact O-N 2.92Å; Q317-S320 PolarHBondContact O-N 2.82Å; Q317-R321 WeakPolarHBondContact O-CG 3.34Å; Q317-R321 PolarHBondContact O-N 2.83Å
318	A	83.6	Confident	81.1	Confident	50 Å²	50	74.1 Å²	74.1	41%	0.413	38%	0.375	S	S	.	.	H	α-helix	trans	-60.1	-47.2	176	0	0	0	0	0	111.2	E314 S315 S320 R321 E322	E314-A318 WeakPolarHBondContact O-CB 3.36Å; E314-A318 PolarHBondContact O-N 2.73Å; S315-A318 PolarHBondContact O-N 3.45Å; A318-S320 PolarHBondContact O-N 3.13Å; A318-R321 PolarHBondContact O-N 3.43Å; A318-E322 PolarHBondContact O-N 3.27Å
319	L	78.9	Confident	81.1	Confident	57 Å²	57	76.3 Å²	76.3	30%	0.298	39%	0.387	S	S	.	.	H	α-helix	trans	-57.6	-49.9	173.6	-177.8	64.2	0	0	0	110.4	S315 R321 E322 I323	S315-L319 WeakPolarHBondContact O-CB 3.49Å; S315-L319 PolarHBondContact O-N 3.49Å; L319-R321 VanDerWaalsContact C-N 3.31Å; L319-R321 PolarHBondContact O-N 3.31Å; L319-E322 PolarHBondContact O-N 2.94Å; L319-I323 HydrophobicContact CD1-CD1 4.28Å; L319-I323 HydrophobicContact CD1-CG1 4.28Å; L319-I323 HydrophobicContact CG-CD1 3.94Å; L319-I323 HydrophobicContact CG-CG1 4.29Å; L319-I323 WeakPolarHBondContact O-CB 3.46Å; L319-I323 WeakPolarHBondContact O-CG1 3.33Å; L319-I323 PolarHBondContact O-N 3.33Å
320	S	79.2	Confident	80.7	Confident	44 Å²	44	72.2 Å²	72.2	31%	0.308	37%	0.372	S	S	.	.	H	α-helix	trans	-60.1	-36.6	179.1	-170.7	0	0	0	0	113.7	L235 K316 Q317 A318 I323 S324	L235-S320 VanDerWaalsContact CD1-OG 3.25Å; L235-S320 WeakPolarHBondContact CD1-OG 3.31Å; K316-S320 WeakPolarHBondContact O-CB 3.18Å; K316-S320 PolarHBondContact O-N 3.44Å; Q317-S320 PolarHBondContact O-N 2.82Å; A318-S320 PolarHBondContact O-N 3.13Å; S320-I323 PolarHBondContact O-N 2.98Å; S320-S324 WeakPolarHBondContact O-CB 3.34Å; S320-S324 PolarHBondContact O-N 3.17Å; S320-S324 PolarHBondContact O-OG 3.26Å
321	R	83.6	Confident	80.4	Confident	136 Å²	136	70.3 Å²	70.3	51%	0.513	36%	0.363	S	S	.	.	H	α-helix	trans	-66.9	-47.8	173.8	-70.9	177.3	-155.5	147.3	8	111.3	L235 Q317 A318 L319 I323 S324 T325	L235-R321 HydrophobicContact CD2-CG 4.29Å; Q317-R321 WeakPolarHBondContact O-CG 3.34Å; Q317-R321 PolarHBondContact O-N 2.83Å; A318-R321 PolarHBondContact O-N 3.43Å; L319-R321 VanDerWaalsContact C-N 3.31Å; L319-R321 PolarHBondContact O-N 3.31Å; R321-I323 PolarHBondContact O-N 3.24Å; R321-S324 PolarHBondContact O-N 3.2Å; R321-S324 VanDerWaalsContact O-N 3.14Å; R321-T325 WeakPolarHBondContact O-CG2 3.49Å; R321-T325 PolarHBondContact O-N 3.31Å; R321-T325 PolarHBondContact O-OG1 2.96Å
322	E	82.7	Confident	80.4	Confident	114 Å²	114	72.8 Å²	72.8	53%	0.533	37%	0.367	S	S	.	.	H	α-helix	trans	-57.7	-40.2	174.3	-174.1	-179.1	178.4	0	0	111.1	A318 L319 S324 T325 L326	A318-E322 PolarHBondContact O-N 3.27Å; L319-E322 PolarHBondContact O-N 2.94Å; E322-S324 VanDerWaalsContact C-N 3.32Å; E322-S324 PolarHBondContact O-N 2.96Å; E322-T325 WeakPolarHBondContact CA-OG1 3.33Å; E322-T325 PolarHBondContact O-N 2.98Å; E322-T325 PolarHBondContact O-OG1 3.32Å; E322-L326 HydrophobicContact CG-CD1 4Å; E322-L326 HydrophobicContact CG-CG 4.49Å; E322-L326 WeakPolarHBondContact O-CB 3.34Å; E322-L326 VanDerWaalsContact O-CG 3.26Å; E322-L326 WeakPolarHBondContact O-CG 3.32Å; E322-L326 PolarHBondContact O-N 3.03Å
323	I	78.4	Confident	80.3	Confident	37 Å²	37	81.7 Å²	81.7	19%	0.19	40%	0.4	C	S	.	.	H	α-helix	trans	-60.4	-46.7	177.5	-71.9	-175.8	0	0	0	110.7	L319 S320 R321 L327 H755	L319-I323 HydrophobicContact CD1-CD1 4.28Å; L319-I323 HydrophobicContact CD1-CG1 4.28Å; L319-I323 HydrophobicContact CG-CD1 3.94Å; L319-I323 HydrophobicContact CG-CG1 4.29Å; L319-I323 WeakPolarHBondContact O-CB 3.46Å; L319-I323 WeakPolarHBondContact O-CG1 3.33Å; L319-I323 PolarHBondContact O-N 3.33Å; S320-I323 PolarHBondContact O-N 2.98Å; R321-I323 PolarHBondContact O-N 3.24Å; I323-L327 WeakPolarHBondContact O-CB 3.27Å; I323-L327 PolarHBondContact O-N 2.97Å; I323-H755 WeakPolarHBondContact CA-CE1 2.77Å; I323-H755 VanDerWaalsContact CA-NE2 3.34Å; I323-H755 WeakPolarHBondContact CA-NE2 3.31Å; I323-H755 WeakPolarHBondContact CB-CE1 3.49Å; I323-H755 WeakPolarHBondContact CG1-CE1 3.28Å; I323-H755 VanDerWaalsContact CG1-ND1 3.28Å; I323-H755 WeakPolarHBondContact CG1-ND1 3.37Å; I323-H755 WeakPolarHBondContact CG2-CE1 3.38Å; I323-H755 PolarHBondContact O-CE1 3.43Å; I323-H755 VanDerWaalsContact O-CE1 3.23Å; I323-H755 PolarHBondContact O-NE2 2.87Å
324	S	79.5	Confident	79.8	Confident	63 Å²	63	83.4 Å²	83.4	44%	0.441	41%	0.41	S	S	.	.	H	α-helix	trans	-68.6	-41.7	-178.6	-58.5	0	0	0	0	112.5	S320 R321 E322 L327 R328	S320-S324 WeakPolarHBondContact O-CB 3.34Å; S320-S324 PolarHBondContact O-N 3.17Å; S320-S324 PolarHBondContact O-OG 3.26Å; R321-S324 PolarHBondContact O-N 3.2Å; R321-S324 VanDerWaalsContact O-N 3.14Å; E322-S324 VanDerWaalsContact C-N 3.32Å; E322-S324 PolarHBondContact O-N 2.96Å; S324-L327 PolarHBondContact O-N 2.85Å; S324-R328 WeakPolarHBondContact O-CB 3.41Å; S324-R328 PolarHBondContact O-N 3.44Å
325	T	84.7	Confident	79.1	Confident	74 Å²	74	82.9 Å²	82.9	45%	0.454	42%	0.417	S	S	.	.	H	α-helix	trans	-65.9	-42.9	177.5	56.8	0	0	0	0	111.5	R321 E322 L327 R328 N329	R321-T325 WeakPolarHBondContact O-CG2 3.49Å; R321-T325 PolarHBondContact O-N 3.31Å; R321-T325 PolarHBondContact O-OG1 2.96Å; E322-T325 WeakPolarHBondContact CA-OG1 3.33Å; E322-T325 PolarHBondContact O-N 2.98Å; E322-T325 PolarHBondContact O-OG1 3.32Å; T325-L327 VanDerWaalsContact C-N 3.3Å; T325-L327 PolarHBondContact O-N 3.15Å; T325-R328 PolarHBondContact O-N 3.01Å; T325-N329 WeakPolarHBondContact O-CB 3.41Å; T325-N329 PolarHBondContact O-N 3.27Å; T325-N329 PolarHBondContact O-ND2 2.97Å
326	L	79.7	Confident	78.1	Confident	68 Å²	68	89 Å²	89	36%	0.356	44%	0.438	S	S	.	.	H	α-helix	trans	-62.4	-38.5	175	-73.9	174.2	0	0	0	111.8	E322 N329 Y330 H755	E322-L326 HydrophobicContact CG-CD1 4Å; E322-L326 HydrophobicContact CG-CG 4.49Å; E322-L326 WeakPolarHBondContact O-CB 3.34Å; E322-L326 VanDerWaalsContact O-CG 3.26Å; E322-L326 WeakPolarHBondContact O-CG 3.32Å; E322-L326 PolarHBondContact O-N 3.03Å; L326-N329 PolarHBondContact O-N 3.28Å; L326-Y330 WeakPolarHBondContact O-CB 3.06Å; L326-Y330 PolarHBondContact O-N 3.13Å; L326-H755 VanDerWaalsContact CB-NE2 3.35Å; L326-H755 WeakPolarHBondContact CB-NE2 3.41Å; L326-H755 WeakPolarHBondContact CD1-CD2 3.12Å; L326-H755 VanDerWaalsContact CD1-NE2 3.29Å; L326-H755 WeakPolarHBondContact CD1-NE2 3.07Å
327	L	75.7	Confident	77.3	Confident	56 Å²	56	92.2 Å²	92.2	29%	0.293	45%	0.452	S	S	.	.	H	α-helix	trans	-67.3	-42.7	176.1	-166	126.9	0	0	0	112.6	I323 S324 T325 Y330 Q331 I340 Y757	I323-L327 WeakPolarHBondContact O-CB 3.27Å; I323-L327 PolarHBondContact O-N 2.97Å; S324-L327 PolarHBondContact O-N 2.85Å; T325-L327 VanDerWaalsContact C-N 3.3Å; T325-L327 PolarHBondContact O-N 3.15Å; L327-Y330 PolarHBondContact O-N 3.02Å; L327-Q331 WeakPolarHBondContact O-CB 3.41Å; L327-Q331 VanDerWaalsContact O-CG 3.31Å; L327-Q331 WeakPolarHBondContact O-CG 3.17Å; L327-Q331 PolarHBondContact O-N 2.91Å; L327-I340 HydrophobicContact CD1-CD1 4.32Å; L327-Y757 WeakPolarHBondContact CA-OH 3.37Å
328	R	80	Confident	76	Confident	122 Å²	122	96.2 Å²	96.2	46%	0.46	49%	0.485	S	S	.	.	H	α-helix	trans	-60.6	-47.5	173.5	-171.8	177.2	-178.5	176.7	0.6	111.3	S324 T325 Y330 Q331 Q332	S324-R328 WeakPolarHBondContact O-CB 3.41Å; S324-R328 PolarHBondContact O-N 3.44Å; T325-R328 PolarHBondContact O-N 3.01Å; R328-Y330 VanDerWaalsContact C-N 3.35Å; R328-Y330 PolarHBondContact O-N 2.74Å; R328-Q331 PolarHBondContact O-N 2.86Å; R328-Q332 WeakPolarHBondContact O-CG 3.36Å; R328-Q332 PolarHBondContact O-N 3.4Å
329	N	82.1	Confident	75	Confident	75 Å²	75	97.1 Å²	97.1	40%	0.401	49%	0.488	S	S	.	.	H	α-helix	trans	-62.7	-39.4	179	-72	-17.2	0	0	0	112.3	T325 L326 R333	T325-N329 WeakPolarHBondContact O-CB 3.41Å; T325-N329 PolarHBondContact O-N 3.27Å; T325-N329 PolarHBondContact O-ND2 2.97Å; L326-N329 PolarHBondContact O-N 3.28Å; N329-R333 WeakPolarHBondContact O-CG 3.38Å; N329-R333 PolarHBondContact O-N 3.47Å; N329-R333 VanDerWaalsContact O-N 3.08Å
330	Y	74.2	Confident	74.5	Confident	53 Å²	53	96 Å²	96	21%	0.208	48%	0.482	C	S	.	.	H	α-helix	trans	-66.1	-45.1	176.6	-174.3	-88.9	0	0	0	111.8	L326 L327 R328 Q332 R333 N334 I340 Y757	L326-Y330 WeakPolarHBondContact O-CB 3.06Å; L326-Y330 PolarHBondContact O-N 3.13Å; L327-Y330 PolarHBondContact O-N 3.02Å; R328-Y330 VanDerWaalsContact C-N 3.35Å; R328-Y330 PolarHBondContact O-N 2.74Å; Y330-Q332 VanDerWaalsContact C-N 3.33Å; Y330-Q332 PolarHBondContact O-N 2.78Å; Y330-R333 PolarHBondContact O-N 2.85Å; Y330-N334 HydrophobicContact CE1-CB 4.47Å; Y330-N334 PolarHBondContact O-N 2.9Å; Y330-I340 HydrophobicContact CD1-CD1 4.44Å; Y330-I340 HydrophobicContact CD1-CG1 3.7Å; Y330-I340 HydrophobicContact CE1-CB 4.23Å; Y330-I340 HydrophobicContact CE1-CG1 3.46Å; Y330-I340 VanDerWaalsContact CE1-CG1 3.46Å; Y330-Y757 HydrophobicContact CD1-CE1 4.06Å; Y330-Y757 HydrophobicContact CD2-CD1 4.33Å; Y330-Y757 AromaticContact CD2-CE1 3.72Å; Y330-Y757 HydrophobicContact CD2-CE1 3.72Å; Y330-Y757 HydrophobicContact CE2-CE1 4.19Å; Y330-Y757 AromaticContact CG-CE1 3.64Å; Y330-Y757 HydrophobicContact CG-CE1 3.64Å
331	Q	74.7	Confident	74.2	Confident	114 Å²	114	95.5 Å²	95.5	53%	0.533	48%	0.484	S	S	.	.	H	α-helix	trans	-61.8	-40.4	177.2	-74.4	176.5	-16.3	0	0	111.9	L327 R328 N334	L327-Q331 WeakPolarHBondContact O-CB 3.41Å; L327-Q331 VanDerWaalsContact O-CG 3.31Å; L327-Q331 WeakPolarHBondContact O-CG 3.17Å; L327-Q331 PolarHBondContact O-N 2.91Å; R328-Q331 PolarHBondContact O-N 2.86Å; Q331-N334 CarbonylContact O-C 3.57Å; Q331-N334 PolarHBondContact O-N 3.09Å
332	Q	81	Confident	74.2	Confident	123 Å²	123	89.3 Å²	89.3	58%	0.575	46%	0.461	S	S	*	.	H	α-helix	trans	-63.9	-40.4	175.2	-75.2	177.6	-9.6	0	0	112.6	R328 Y330	R328-Q332 WeakPolarHBondContact O-CG 3.36Å; R328-Q332 PolarHBondContact O-N 3.4Å; Y330-Q332 VanDerWaalsContact C-N 3.33Å; Y330-Q332 PolarHBondContact O-N 2.78Å
333	R	80.1	Confident	74.4	Confident	208 Å²	208	87.7 Å²	87.7	79%	0.785	46%	0.462	S	S	*	.	H	α-helix	trans	-73.3	-32.1	179.3	-74.3	-178.5	-179.3	178.2	1.4	113.4	N329 Y330	N329-R333 WeakPolarHBondContact O-CG 3.38Å; N329-R333 PolarHBondContact O-N 3.47Å; N329-R333 VanDerWaalsContact O-N 3.08Å; Y330-R333 PolarHBondContact O-N 2.85Å
334	N	71.4	Confident	74.9	Confident	61 Å²	61	87.8 Å²	87.8	33%	0.326	47%	0.465	S	S	.	.			trans	-131.8	67.4	-174.7	-67.7	-60.9	0	0	0	112	Y330 Q331 Q336 K337	Y330-N334 HydrophobicContact CE1-CB 4.47Å; Y330-N334 PolarHBondContact O-N 2.9Å; Q331-N334 CarbonylContact O-C 3.57Å; Q331-N334 PolarHBondContact O-N 3.09Å; N334-Q336 PolarHBondContact O-N 3.28Å; N334-Q336 VanDerWaalsContact O-N 3.12Å; N334-K337 HydrophobicContact CB-CB 4.27Å; N334-K337 PolarHBondContact O-N 3.4Å
335	P	67.8	Low	75.4	Confident	112 Å²	112	87.7 Å²	87.7	73%	0.727	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-23.1	-178.7	24	-33	0	0	0	113.1
336	Q	61.5	Low	75.7	Confident	194 Å²	194	87.3 Å²	87.3	91%	0.907	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-16	-178.9	-64.6	-166.3	-5.5	0	0	114.9	N334	N334-Q336 PolarHBondContact O-N 3.28Å; N334-Q336 VanDerWaalsContact O-N 3.12Å
337	K	61.8	Low	76.3	Confident	134 Å²	134	87.6 Å²	87.6	58%	0.583	45%	0.453	S	S	*	.			trans	-93.6	107.7	-180	-76.2	-175.3	177.4	177.6	0	110.3	N334 S339	N334-K337 HydrophobicContact CB-CB 4.27Å; N334-K337 PolarHBondContact O-N 3.4Å; K337-S339 VanDerWaalsContact C-N 3.3Å; K337-S339 PolarHBondContact O-N 2.94Å
338	S	56	Low	77	Confident	126 Å²	126	87.3 Å²	87.3	88%	0.881	45%	0.454	S	S	*	.	S	Bend	trans	-72.1	-23.8	175.2	64.9	0	0	0	0	113.3
339	S	62.5	Low	77.3	Confident	69 Å²	69	82.3 Å²	82.3	48%	0.483	44%	0.436	S	S	.	.	S	Bend	trans	-111.8	117.9	179.7	60.4	0	0	0	0	111.2	K337	K337-S339 VanDerWaalsContact C-N 3.3Å; K337-S339 PolarHBondContact O-N 2.94Å
340	I	67.9	Low	77.4	Confident	32 Å²	32	82.4 Å²	82.4	16%	0.164	44%	0.442	C	S	.	.			trans	-63.9	136.6	170	-71.7	160.3	0	0	0	109.5	L327 Y330 R651 Y757	L327-I340 HydrophobicContact CD1-CD1 4.32Å; Y330-I340 HydrophobicContact CD1-CD1 4.44Å; Y330-I340 HydrophobicContact CD1-CG1 3.7Å; Y330-I340 HydrophobicContact CE1-CB 4.23Å; Y330-I340 HydrophobicContact CE1-CG1 3.46Å; Y330-I340 VanDerWaalsContact CE1-CG1 3.46Å; I340-R651 PolarHBondContact O-NH1 2.88Å; I340-R651 PolarHBondContact O-NH2 3.48Å; I340-Y757 HydrophobicContact CB-CD1 4.41Å; I340-Y757 HydrophobicContact CB-CE1 3.99Å; I340-Y757 HydrophobicContact CD1-CE1 3.83Å; I340-Y757 VanDerWaalsContact CD1-OH 3.31Å; I340-Y757 WeakPolarHBondContact CD1-OH 3.33Å; I340-Y757 HydrophobicContact CG1-CE1 3.72Å; I340-Y757 HydrophobicContact CG2-CD1 3.12Å; I340-Y757 HydrophobicContact CG2-CE1 3.08Å; I340-Y757 HydrophobicContact CG2-CG 4.14Å
341	G	74	Confident	77.7	Confident	34 Å²	34	86 Å²	86	35%	0.351	47%	0.465	S	S	.	.			trans	-76.6	155.4	169.5	0	0	0	0	0	111.1	E739	G341-E739 WeakPolarHBondContact CA-OE1 3.47Å
342	T	82.3	Confident	77.5	Confident	6 Å²	6	81.7 Å²	81.7	4%	0.037	45%	0.447	C	S	.	.			trans	-106.6	115.5	173.6	-40.3	0	0	0	0	110.2	R651 I663 E739 Y753 L759	T342-R651 PolarHBondContact OG1-NH1 3.32Å; T342-R651 VanDerWaalsContact OG1-NH1 3.14Å; T342-I663 VanDerWaalsContact CB-CD1 3.49Å; T342-I663 HydrophobicContact CG2-CD1 3.76Å; T342-E739 VanDerWaalsContact CB-OE2 3.32Å; T342-E739 WeakPolarHBondContact CB-OE2 3.32Å; T342-E739 PolarHBondContact N-OE1 3.24Å; T342-E739 PolarHBondContact N-OE2 3.19Å; T342-E739 VanDerWaalsContact O-OE2 3.1Å; T342-Y753 HydrophobicContact CG2-CE1 3.9Å; T342-L759 HydrophobicContact CG2-CB 3.93Å
343	S	87.3	Confident	76.7	Confident	80 Å²	80	80.2 Å²	80.2	56%	0.559	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	127	169.3	-62.4	0	0	0	0	109.4	Y757 L758 L759	S343-Y757 WeakPolarHBondContact CB-O 3.15Å; S343-Y757 PolarHBondContact N-O 3.29Å; S343-L758 WeakPolarHBondContact O-CA 3.17Å; S343-L759 PolarHBondContact O-N 2.9Å
344	T	88.5	Confident	75.5	Confident	40 Å²	40	73.1 Å²	73.1	25%	0.245	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.5	177.2	-58.3	0	0	0	0	110.1	L661 F741 L759 A761	T344-L661 HydrophobicContact CG2-CD2 3.3Å; T344-F741 WeakPolarHBondContact OG1-CE2 3.42Å; T344-L759 CarbonylContact C-O 3.52Å; T344-L759 VanDerWaalsContact CA-O 3.26Å; T344-L759 WeakPolarHBondContact CA-O 3.44Å; T344-L759 HydrophobicContact CG2-CG 4.47Å; T344-A761 HydrophobicContact CG2-CB 4.34Å
345	V	91.4	Very high	74.8	Confident	60 Å²	60	73.7 Å²	73.7	36%	0.364	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	125	169.5	176.4	0	0	0	0	108.9	Y347 L758 L759 L760 A761	V345-Y347 HydrophobicContact CG1-CE2 4Å; V345-L758 HydrophobicContact CG2-CD1 3.78Å; V345-L759 PolarHBondContact N-O 3.45Å; V345-L760 HydrophobicContact CB-CD2 3.79Å; V345-L760 HydrophobicContact CG1-CD2 4.37Å; V345-L760 HydrophobicContact CG2-CD2 4.43Å; V345-L760 WeakPolarHBondContact O-CA 3.4Å; V345-A761 PolarHBondContact O-N 3.4Å
346	L	90.9	Very high	74.4	Confident	66 Å²	66	69.5 Å²	69.5	35%	0.346	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	118.1	-178.2	-179.2	73.7	0	0	0	111.1	T743 T746 A761	L346-T743 HydrophobicContact CD1-CG2 4.18Å; L346-T743 HydrophobicContact CD2-CG2 3.4Å; L346-T743 HydrophobicContact CG-CG2 4.42Å; L346-T746 HydrophobicContact CD1-CG2 4.1Å; L346-T746 HydrophobicContact CD2-CG2 4.25Å; L346-T746 HydrophobicContact CG-CG2 4.38Å; L346-A761 CarbonylContact C-O 3.47Å; L346-A761 WeakPolarHBondContact CA-O 3.4Å; L346-A761 HydrophobicContact CD1-CB 3.69Å
347	Y	91.1	Very high	74.1	Confident	75 Å²	75	63.8 Å²	63.8	29%	0.294	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	114.3	169.3	-64.5	-79.4	0	0	0	110.2	V345 F371 L392 L760 A761 A762 G763	V345-Y347 HydrophobicContact CG1-CE2 4Å; Y347-F371 AromaticContact CD2-CE1 3.75Å; Y347-F371 HydrophobicContact CD2-CE1 3.75Å; Y347-F371 AromaticContact CD2-CZ 3.85Å; Y347-F371 HydrophobicContact CD2-CZ 3.85Å; Y347-F371 AromaticContact CE2-CE1 3.97Å; Y347-F371 HydrophobicContact CE2-CE1 3.97Å; Y347-F371 HydrophobicContact CE2-CZ 4.41Å; Y347-L392 HydrophobicContact CD1-CD2 4.12Å; Y347-L392 HydrophobicContact CE1-CD2 3.75Å; Y347-L392 HydrophobicContact CE2-CD1 4.12Å; Y347-L760 HydrophobicContact CE2-CB 4.45Å; Y347-L760 HydrophobicContact CE2-CD1 4.28Å; Y347-L760 HydrophobicContact CE2-CD2 4.07Å; Y347-L760 HydrophobicContact CE2-CG 4.48Å; Y347-A761 PolarHBondContact N-O 3.02Å; Y347-A762 VanDerWaalsContact O-CA 3.29Å; Y347-A762 WeakPolarHBondContact O-CA 3.23Å; Y347-G763 PolarHBondContact O-N 3.01Å; Y347-G763 VanDerWaalsContact O-N 3.15Å
348	T	90.1	Very high	73.8	Confident	50 Å²	50	62.5 Å²	62.5	31%	0.307	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	119.1	175.5	-59.9	0	0	0	0	109.5	C350 T746 Y765	T348-C350 PolarHBondContact O-N 3.31Å; T348-T746 HydrophobicContact CG2-CG2 4.04Å; T348-T746 WeakPolarHBondContact CG2-OG1 3.5Å; T348-T746 WeakPolarHBondContact OG1-CG2 3.28Å; T348-T746 PolarHBondContact OG1-OG1 3.09Å; T348-Y765 HydrophobicContact CG2-CD2 4.09Å; T348-Y765 HydrophobicContact CG2-CG 4.46Å
349	I	88	Confident	73.8	Confident	16 Å²	16	61.1 Å²	61.1	8%	0.082	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	103.8	177.6	-57.8	169.4	0	0	0	108.1	V366 A380 W390 G763 Y765	I349-V366 HydrophobicContact CB-CG2 4.25Å; I349-V366 HydrophobicContact CD1-CG1 4.13Å; I349-V366 HydrophobicContact CD1-CG2 4.1Å; I349-V366 HydrophobicContact CG2-CG2 3.88Å; I349-A380 HydrophobicContact CD1-CB 3.91Å; I349-W390 HydrophobicContact CD1-CH2 4.12Å; I349-W390 HydrophobicContact CD1-CZ3 4.31Å; I349-W390 HydrophobicContact CG2-CH2 4.27Å; I349-W390 HydrophobicContact CG2-CZ2 4.29Å; I349-G763 PolarHBondContact N-O 3.06Å; I349-Y765 PolarHBondContact O-N 3.5Å
350	C	83.6	Confident	73.5	Confident	78 Å²	78	58.3 Å²	58.3	53%	0.527	37%	0.365	S	S	.	.			trans	-89.7	158.1	176	-63.1	0	0	0	0	111.3	T348 S352	T348-C350 PolarHBondContact O-N 3.31Å; C350-S352 VanDerWaalsContact C-N 3.28Å; C350-S352 PolarHBondContact O-N 2.82Å
351	N	79.1	Confident	73.1	Confident	129 Å²	129	60 Å²	60	69%	0.69	37%	0.374	S	S	*	.			trans	53.1	40.1	174.2	-60.6	-20.2	0	0	0	114.2	Q353 A354	N351-Q353 PolarHBondContact O-N 2.85Å; N351-A354 HydrophobicContact CB-CB 4.27Å; N351-A354 WeakPolarHBondContact O-CB 3.47Å; N351-A354 PolarHBondContact O-N 2.85Å
352	S	71.2	Confident	72.2	Confident	23 Å²	23	69.2 Å²	69.2	16%	0.161	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-17.7	-179.2	61.5	0	0	0	0	114	C350	C350-S352 VanDerWaalsContact C-N 3.28Å; C350-S352 PolarHBondContact O-N 2.82Å
353	Q	64	Low	70.8	Confident	91 Å²	91	76.2 Å²	76.2	43%	0.425	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-12	179.6	-63.2	177.3	-4.3	0	0	113.7	N351 G355 E356 I361	N351-Q353 PolarHBondContact O-N 2.85Å; Q353-G355 PolarHBondContact O-N 2.88Å; Q353-E356 WeakPolarHBondContact O-CB 3.35Å; Q353-E356 PolarHBondContact O-N 2.99Å; Q353-E356 VanDerWaalsContact O-N 3.16Å; Q353-I361 HydrophobicContact CB-CD1 4.45Å; Q353-I361 HydrophobicContact CB-CG1 4.12Å; Q353-I361 HydrophobicContact CG-CG1 4.36Å; Q353-I361 HydrophobicContact CG-CG2 4.17Å
354	A	55.5	Low	69.4	Low	60 Å²	60	73.7 Å²	73.7	50%	0.496	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	118.8	-173.2	0	0	0	0	0	111.5	N351	N351-A354 HydrophobicContact CB-CB 4.27Å; N351-A354 WeakPolarHBondContact O-CB 3.47Å; N351-A354 PolarHBondContact O-N 2.85Å
355	G	56.4	Low	68.8	Low	72 Å²	72	73.2 Å²	73.2	74%	0.742	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	10.6	-177.6	0	0	0	0	0	114.5	Q353	Q353-G355 PolarHBondContact O-N 2.88Å
356	E	59.4	Low	68.6	Low	24 Å²	24	71 Å²	71	11%	0.112	40%	0.4	C	S	.	.			trans	-92.1	145	173.9	-65.3	-153.7	143.7	0	0	111.7	Q353 A360 I361 S384	Q353-E356 WeakPolarHBondContact O-CB 3.35Å; Q353-E356 PolarHBondContact O-N 2.99Å; Q353-E356 VanDerWaalsContact O-N 3.16Å; E356-A360 HydrophobicContact CB-CB 3.78Å; E356-A360 HydrophobicContact CG-CB 4.4Å; E356-I361 HydrophobicContact CB-CG1 4.07Å; E356-S384 WeakPolarHBondContact OE1-CB 3.26Å; E356-S384 PolarHBondContact OE1-OG 2.94Å
357	S	55.6	Low	68.5	Low	74 Å²	74	70 Å²	70	52%	0.517	40%	0.397	S	S	.	.			trans	-59.8	152.1	170.2	176.6	0	0	0	0	110.4	L359 A360 I361	S357-L359 PolarHBondContact O-N 2.85Å; S357-A360 WeakPolarHBondContact O-CA 3.29Å; S357-A360 VanDerWaalsContact O-CB 3.28Å; S357-A360 WeakPolarHBondContact O-CB 3.34Å; S357-A360 PolarHBondContact O-N 2.95Å; S357-I361 PolarHBondContact O-N 3Å
358	T	55.4	Low	68.6	Low	108 Å²	108	67.1 Å²	67.1	66%	0.663	39%	0.388	S	S	*	.	H	α-helix	trans	-52.8	-32	175.8	47.8	0	0	0	0	113	R362	T358-R362 PolarHBondContact O-N 2.94Å
359	L	56.7	Low	68.8	Low	97 Å²	97	65.4 Å²	65.4	51%	0.508	38%	0.378	S	S	.	.	H	α-helix	trans	-69.1	-37.5	174	-113.5	144.1	0	0	0	112.8	S357 R362 R363	S357-L359 PolarHBondContact O-N 2.85Å; L359-R362 PolarHBondContact O-N 3.43Å; L359-R363 WeakPolarHBondContact O-CB 3.39Å; L359-R363 VanDerWaalsContact O-CG 3.28Å; L359-R363 WeakPolarHBondContact O-CG 3.3Å; L359-R363 PolarHBondContact O-N 3.09Å
360	A	55.6	Low	69.1	Low	10 Å²	10	65.9 Å²	65.9	8%	0.083	38%	0.382	C	S	.	.	H	α-helix	trans	-69.6	-41.4	176.7	0	0	0	0	0	111.7	E356 S357 R362 R363 G364	E356-A360 HydrophobicContact CB-CB 3.78Å; E356-A360 HydrophobicContact CG-CB 4.4Å; S357-A360 WeakPolarHBondContact O-CA 3.29Å; S357-A360 VanDerWaalsContact O-CB 3.28Å; S357-A360 WeakPolarHBondContact O-CB 3.34Å; S357-A360 PolarHBondContact O-N 2.95Å; A360-R362 PolarHBondContact O-N 3.28Å; A360-R363 CarbonylContact O-C 3.56Å; A360-R363 WeakPolarHBondContact O-CA 3.23Å; A360-R363 PolarHBondContact O-N 2.75Å; A360-G364 PolarHBondContact O-N 3.29Å; A360-G364 VanDerWaalsContact O-N 3.16Å
361	I	59.1	Low	69.6	Low	66 Å²	66	62.8 Å²	62.8	34%	0.338	36%	0.36	S	S	.	.	H	α-helix	trans	-56.8	-40	173.3	-62.6	173.5	0	0	0	111	Q353 E356 S357	Q353-I361 HydrophobicContact CB-CD1 4.45Å; Q353-I361 HydrophobicContact CB-CG1 4.12Å; Q353-I361 HydrophobicContact CG-CG1 4.36Å; Q353-I361 HydrophobicContact CG-CG2 4.17Å; E356-I361 HydrophobicContact CB-CG1 4.07Å; S357-I361 PolarHBondContact O-N 3Å
362	R	55.2	Low	70.2	Confident	228 Å²	228	56.7 Å²	56.7	86%	0.86	33%	0.327	S	S	*	.	H	α-helix	trans	-72.9	-28.7	174.7	-70.4	-172.1	-172.1	-149.4	3.7	113.7	T358 L359 A360 G364	T358-R362 PolarHBondContact O-N 2.94Å; L359-R362 PolarHBondContact O-N 3.43Å; A360-R362 PolarHBondContact O-N 3.28Å; R362-G364 VanDerWaalsContact C-N 3.34Å
363	R	53.8	Low	70.9	Confident	153 Å²	153	59.4 Å²	59.4	58%	0.577	34%	0.34	S	S	*	.	H	α-helix	trans	-84.1	-4.3	-177.8	-78.6	179.2	175.3	164.8	-0.5	114.4	L359 A360	L359-R363 WeakPolarHBondContact O-CB 3.39Å; L359-R363 VanDerWaalsContact O-CG 3.28Å; L359-R363 WeakPolarHBondContact O-CG 3.3Å; L359-R363 PolarHBondContact O-N 3.09Å; A360-R363 CarbonylContact O-C 3.56Å; A360-R363 WeakPolarHBondContact O-CA 3.23Å; A360-R363 PolarHBondContact O-N 2.75Å
364	G	56.6	Low	71.8	Confident	27 Å²	27	58.5 Å²	58.5	28%	0.278	34%	0.338	S	S	.	.			trans	114.6	149.5	161.8	0	0	0	0	0	113.7	A360 R362 G383	A360-G364 PolarHBondContact O-N 3.29Å; A360-G364 VanDerWaalsContact O-N 3.16Å; R362-G364 VanDerWaalsContact C-N 3.34Å; G364-G383 WeakPolarHBondContact O-CA 3.36Å; G364-G383 PolarHBondContact O-N 2.82Å; G364-G383 VanDerWaalsContact O-N 3.07Å
365	G	76.1	Confident	73.4	Confident	31 Å²	31	57 Å²	57	32%	0.32	32%	0.324	S	S	.	.	S	Bend	trans	-70.7	-141.6	-178.2	0	0	0	0	0	113.5	T367 G383	G365-T367 PolarHBondContact O-N 3.45Å; G365-G383 PolarHBondContact O-N 3.29Å; G365-G383 VanDerWaalsContact O-N 3.16Å
366	V	87.6	Confident	74.9	Confident	13 Å²	13	54.5 Å²	54.5	8%	0.079	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	122.9	178.6	-175.7	0	0	0	0	109.6	I349 C368 A380 F382 L749 P764	I349-V366 HydrophobicContact CB-CG2 4.25Å; I349-V366 HydrophobicContact CD1-CG1 4.13Å; I349-V366 HydrophobicContact CD1-CG2 4.1Å; I349-V366 HydrophobicContact CG2-CG2 3.88Å; V366-C368 WeakPolarHBondContact CG1-O 3.09Å; V366-A380 HydrophobicContact CG1-CB 3.91Å; V366-F382 HydrophobicContact CG2-CD1 4.4Å; V366-F382 HydrophobicContact CG2-CE1 3.96Å; V366-F382 HydrophobicContact CG2-CZ 4.35Å; V366-L749 HydrophobicContact CG1-CD1 4.25Å; V366-L749 WeakPolarHBondContact O-CD1 3.12Å; V366-P764 HydrophobicContact CB-CB 4Å; V366-P764 HydrophobicContact CB-CG 4.28Å; V366-P764 HydrophobicContact CG2-CB 4.28Å
367	T	89.1	Confident	76.5	Confident	45 Å²	45	53.7 Å²	53.7	28%	0.276	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-32.7	-177.3	43.4	0	0	0	0	112.2	G365 G381 V441 F442	G365-T367 PolarHBondContact O-N 3.45Å; T367-G381 PolarHBondContact N-O 3.05Å; T367-G381 VanDerWaalsContact N-O 3.09Å; T367-G381 PolarHBondContact OG1-O 3.15Å; T367-V441 VanDerWaalsContact CB-O 3.31Å; T367-V441 WeakPolarHBondContact CB-O 3.28Å; T367-V441 PolarHBondContact OG1-O 2.83Å; T367-F442 HydrophobicContact CG2-CD1 4.4Å; T367-F442 HydrophobicContact CG2-CE1 4.41Å
368	C	92.2	Very high	78.3	Confident	15 Å²	15	50.4 Å²	50.4	10%	0.101	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	156.3	179.4	60.4	0	0	0	0	111	V366 A380 G381 F442	V366-C368 WeakPolarHBondContact CG1-O 3.09Å; C368-A380 VanDerWaalsContact O-CA 3.28Å; C368-A380 WeakPolarHBondContact O-CA 3.46Å; C368-G381 PolarHBondContact O-N 2.71Å; C368-F442 VanDerWaalsContact CB-O 3.23Å; C368-F442 WeakPolarHBondContact CB-O 3.34Å; C368-F442 VanDerWaalsContact SG-C 3.59Å
369	C	93.9	Very high	80.2	Confident	14 Å²	14	45.3 Å²	45.3	10%	0.095	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	151.9	170.3	57.8	0	0	0	0	111.6	L378 A379 A380 L749 G750 A762	C369-L378 HydrophobicContact CB-CD1 4.19Å; C369-A379 CarbonylContact C-O 3.6Å; C369-A379 WeakPolarHBondContact CA-O 3.43Å; C369-A380 HydrophobicContact CB-CB 4.29Å; C369-L749 VanDerWaalsContact SG-C 3.55Å; C369-G750 WeakPolarHBondContact SG-CA 3.41Å; C369-G750 PolarHBondContact SG-N 3.39Å; C369-A762 PolarHBondContact SG-O 3.03Å
370	S	94.7	Very high	82	Confident	26 Å²	26	40.7 Å²	40.7	18%	0.182	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	139.1	-179.8	177.2	0	0	0	0	109.6	A379 V444 F446	S370-A379 PolarHBondContact N-O 3.46Å; S370-A379 PolarHBondContact O-N 3.46Å; S370-V444 WeakPolarHBondContact CB-O 3.49Å; S370-F446 WeakPolarHBondContact O-CE2 3.3Å
371	F	94.5	Very high	83.7	Confident	13 Å²	13	40.2 Å²	40.2	6%	0.057	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	151.9	172.1	-66.1	-87.3	0	0	0	109.8	Y347 Q377 L378 L392 H752 L760 A762	Y347-F371 AromaticContact CD2-CE1 3.75Å; Y347-F371 HydrophobicContact CD2-CE1 3.75Å; Y347-F371 AromaticContact CD2-CZ 3.85Å; Y347-F371 HydrophobicContact CD2-CZ 3.85Å; Y347-F371 AromaticContact CE2-CE1 3.97Å; Y347-F371 HydrophobicContact CE2-CE1 3.97Å; Y347-F371 HydrophobicContact CE2-CZ 4.41Å; F371-Q377 WeakPolarHBondContact CA-O 3.16Å; F371-L378 HydrophobicContact CD1-CB 4.39Å; F371-L378 HydrophobicContact CD1-CD1 3.93Å; F371-L378 HydrophobicContact CD2-CD1 4.41Å; F371-L378 HydrophobicContact CE1-CB 4.46Å; F371-L378 HydrophobicContact CE1-CD1 3.81Å; F371-L378 HydrophobicContact CE2-CD1 4.31Å; F371-L378 HydrophobicContact CG-CD1 4.25Å; F371-L378 HydrophobicContact CZ-CD1 4.02Å; F371-L392 HydrophobicContact CD1-CD1 3.8Å; F371-L392 HydrophobicContact CE1-CD1 3.81Å; F371-H752 HydrophobicContact CB-CB 3.79Å; F371-H752 HydrophobicContact CD2-CB 3.63Å; F371-H752 HydrophobicContact CE2-CB 4.45Å; F371-H752 HydrophobicContact CG-CB 3.92Å; F371-L760 HydrophobicContact CD1-CB 4.44Å; F371-L760 HydrophobicContact CD1-CD1 4.06Å; F371-L760 HydrophobicContact CE1-CB 3.95Å; F371-L760 HydrophobicContact CE1-CD1 4.04Å; F371-L760 HydrophobicContact CE2-CB 4.05Å; F371-L760 HydrophobicContact CZ-CB 3.72Å; F371-A762 HydrophobicContact CE1-CB 4.48Å; F371-A762 HydrophobicContact CE2-CB 3.76Å; F371-A762 HydrophobicContact CZ-CB 3.5Å; F371-A762 VanDerWaalsContact CZ-CB 3.5Å
372	S	92.2	Very high	85.2	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.193	C	C	.	.			trans	-70	156	164.7	60.8	0	0	0	0	110.8	D374 S375 S376 Q377 H752	S372-D374 VanDerWaalsContact C-N 3.28Å; S372-D374 VanDerWaalsContact CB-OD1 3.24Å; S372-D374 WeakPolarHBondContact CB-OD1 3.35Å; S372-D374 PolarHBondContact O-N 3.45Å; S372-D374 PolarHBondContact OG-OD1 2.91Å; S372-S375 WeakPolarHBondContact O-CA 3.36Å; S372-S375 PolarHBondContact O-N 3.44Å; S372-S376 PolarHBondContact OG-N 3.4Å; S372-S376 VanDerWaalsContact OG-N 3.15Å; S372-Q377 PolarHBondContact N-O 3.41Å; S372-Q377 PolarHBondContact OG-N 2.82Å; S372-Q377 PolarHBondContact OG-O 3.29Å; S372-H752 PolarHBondContact O-NE2 2.99Å
373	D	85.6	Confident	86.7	Confident	80 Å²	80	26.3 Å²	26.3	43%	0.428	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-37.8	-175.3	-158.1	34	0	0	0	112.1	S375 H752	D373-S375 PolarHBondContact O-N 3.17Å; D373-H752 PolarHBondContact O-NE2 2.82Å; D373-H752 IonicContact OD1-CE1 3.05Å
374	D	83.2	Confident	88.2	Confident	73 Å²	73	20.8 Å²	20.8	39%	0.39	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	0.1	174.2	69.5	-12.4	0	0	0	114.1	S372 S376 R450	S372-D374 VanDerWaalsContact C-N 3.28Å; S372-D374 VanDerWaalsContact CB-OD1 3.24Å; S372-D374 WeakPolarHBondContact CB-OD1 3.35Å; S372-D374 PolarHBondContact O-N 3.45Å; S372-D374 PolarHBondContact OG-OD1 2.91Å; D374-S376 PolarHBondContact O-N 3.32Å; D374-S376 VanDerWaalsContact O-N 3.15Å; D374-S376 PolarHBondContact OD1-N 3.18Å; D374-S376 VanDerWaalsContact OD1-N 3.07Å; D374-S376 PolarHBondContact OD1-OG 3.04Å; D374-S376 WeakPolarHBondContact OD2-CB 3.11Å; D374-S376 PolarHBondContact OD2-OG 3.5Å; D374-R450 WeakPolarHBondContact OD2-CD 3.42Å; D374-R450 IonicContact OD2-NH1 2.79Å
375	S	87.7	Confident	89.6	Confident	28 Å²	28	19.7 Å²	19.7	20%	0.196	13%	0.126	C	C	.	.	S	Bend	trans	58.9	16.4	-176.2	67.6	0	0	0	0	116.4	S372 D373 L392	S372-S375 WeakPolarHBondContact O-CA 3.36Å; S372-S375 PolarHBondContact O-N 3.44Å; D373-S375 PolarHBondContact O-N 3.17Å; S375-L392 WeakPolarHBondContact O-CD1 3.39Å
376	S	88.9	Confident	90.3	Very high	19 Å²	19	20.6 Å²	20.6	13%	0.133	12%	0.119	C	C	.	.	S	Bend	trans	-82.3	-21.8	-179.4	69.5	0	0	0	0	113.9	S372 D374 L392 R450	S372-S376 PolarHBondContact OG-N 3.4Å; S372-S376 VanDerWaalsContact OG-N 3.15Å; D374-S376 PolarHBondContact O-N 3.32Å; D374-S376 VanDerWaalsContact O-N 3.15Å; D374-S376 PolarHBondContact OD1-N 3.18Å; D374-S376 VanDerWaalsContact OD1-N 3.07Å; D374-S376 PolarHBondContact OD1-OG 3.04Å; D374-S376 WeakPolarHBondContact OD2-CB 3.11Å; D374-S376 PolarHBondContact OD2-OG 3.5Å; S376-L392 PolarHBondContact O-N 3.42Å; S376-R450 WeakPolarHBondContact OG-CD 3.47Å; S376-R450 PolarHBondContact OG-NE 3.3Å; S376-R450 VanDerWaalsContact OG-NE 3.08Å; S376-R450 PolarHBondContact OG-NH1 3.48Å; S376-R450 PolarHBondContact OG-NH2 2.85Å
377	Q	92.7	Very high	90.5	Very high	7 Å²	7	20 Å²	20	3%	0.033	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	148.1	-177.6	-64.5	-178.1	-0.1	0	0	111.8	F371 S372 V389 W390 L397 F446 R450	F371-Q377 WeakPolarHBondContact CA-O 3.16Å; S372-Q377 PolarHBondContact N-O 3.41Å; S372-Q377 PolarHBondContact OG-N 2.82Å; S372-Q377 PolarHBondContact OG-O 3.29Å; Q377-V389 HydrophobicContact CB-CG1 4.36Å; Q377-W390 VanDerWaalsContact CA-O 3.27Å; Q377-W390 WeakPolarHBondContact CA-O 3.25Å; Q377-L397 HydrophobicContact CG-CD2 4.14Å; Q377-L397 VanDerWaalsContact NE2-CD2 3.3Å; Q377-F446 HydrophobicContact CB-CE1 4.21Å; Q377-F446 HydrophobicContact CB-CZ 3.83Å; Q377-F446 VanDerWaalsContact OE1-CE1 3.24Å; Q377-R450 VanDerWaalsContact NE2-CZ 3.35Å
378	L	94.6	Very high	90.7	Very high	6 Å²	6	19.9 Å²	19.9	3%	0.031	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131.9	169.5	174.5	64.9	0	0	0	108	C369 F371 V389 W390 L392 A762	C369-L378 HydrophobicContact CB-CD1 4.19Å; F371-L378 HydrophobicContact CD1-CB 4.39Å; F371-L378 HydrophobicContact CD1-CD1 3.93Å; F371-L378 HydrophobicContact CD2-CD1 4.41Å; F371-L378 HydrophobicContact CE1-CB 4.46Å; F371-L378 HydrophobicContact CE1-CD1 3.81Å; F371-L378 HydrophobicContact CE2-CD1 4.31Å; F371-L378 HydrophobicContact CG-CD1 4.25Å; F371-L378 HydrophobicContact CZ-CD1 4.02Å; L378-V389 CarbonylContact O-C 3.25Å; L378-V389 VanDerWaalsContact O-CA 3.32Å; L378-V389 WeakPolarHBondContact O-CA 3.45Å; L378-W390 HydrophobicContact CB-CE3 4.35Å; L378-W390 HydrophobicContact CD2-CE3 4.18Å; L378-W390 HydrophobicContact CG-CE3 4.04Å; L378-W390 HydrophobicContact CG-CZ3 4.42Å; L378-W390 PolarHBondContact N-O 3.16Å; L378-W390 PolarHBondContact O-N 3.38Å; L378-L392 HydrophobicContact CB-CD1 4.16Å; L378-L392 HydrophobicContact CB-CD2 4.12Å; L378-L392 HydrophobicContact CB-CG 4.21Å; L378-A762 HydrophobicContact CD1-CB 4Å; L378-A762 HydrophobicContact CD2-CB 4.31Å
379	A	94.8	Very high	90.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	141.4	169.5	0	0	0	0	0	110.1	C369 S370 R388 V389 V444 F446	C369-A379 CarbonylContact C-O 3.6Å; C369-A379 WeakPolarHBondContact CA-O 3.43Å; S370-A379 PolarHBondContact N-O 3.46Å; S370-A379 PolarHBondContact O-N 3.46Å; A379-R388 CarbonylContact C-O 3.45Å; A379-R388 WeakPolarHBondContact CA-O 3.34Å; A379-V389 HydrophobicContact CB-CG2 4.12Å; A379-V444 HydrophobicContact CB-CG1 3.66Å; A379-F446 HydrophobicContact CB-CD2 4.48Å; A379-F446 HydrophobicContact CB-CE2 3.47Å; A379-F446 VanDerWaalsContact CB-CE2 3.47Å; A379-F446 HydrophobicContact CB-CZ 3.55Å
380	A	93.9	Very high	90.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	139.7	172.9	0	0	0	0	0	111.8	I349 V366 C368 C369 F382 I387 R388 W390	I349-A380 HydrophobicContact CD1-CB 3.91Å; V366-A380 HydrophobicContact CG1-CB 3.91Å; C368-A380 VanDerWaalsContact O-CA 3.28Å; C368-A380 WeakPolarHBondContact O-CA 3.46Å; C369-A380 HydrophobicContact CB-CB 4.29Å; A380-F382 HydrophobicContact CB-CE2 4.21Å; A380-F382 WeakPolarHBondContact O-CE2 3.15Å; A380-I387 WeakPolarHBondContact O-CA 3.38Å; A380-R388 PolarHBondContact N-O 3.36Å; A380-R388 PolarHBondContact O-N 3.29Å; A380-W390 HydrophobicContact CB-CH2 3.73Å; A380-W390 HydrophobicContact CB-CZ3 3.44Å; A380-W390 VanDerWaalsContact CB-CZ3 3.44Å
381	G	92.5	Very high	90.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	144.7	170.7	0	0	0	0	0	111.2	T367 C368	T367-G381 PolarHBondContact N-O 3.05Å; T367-G381 VanDerWaalsContact N-O 3.09Å; T367-G381 PolarHBondContact OG1-O 3.15Å; C368-G381 PolarHBondContact O-N 2.71Å
382	F	90.5	Very high	90.4	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.009	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	154.1	180	-65.5	-102.4	0	0	0	110.7	V366 A380 S384 G385 R386 R388 W390 V441	V366-F382 HydrophobicContact CG2-CD1 4.4Å; V366-F382 HydrophobicContact CG2-CE1 3.96Å; V366-F382 HydrophobicContact CG2-CZ 4.35Å; A380-F382 HydrophobicContact CB-CE2 4.21Å; A380-F382 WeakPolarHBondContact O-CE2 3.15Å; F382-S384 WeakPolarHBondContact CB-OG 3.25Å; F382-S384 PolarHBondContact O-N 2.87Å; F382-S384 VanDerWaalsContact O-N 3.11Å; F382-G385 PolarHBondContact O-N 3.32Å; F382-G385 VanDerWaalsContact O-N 3.11Å; F382-R386 HydrophobicContact CB-CB 4.43Å; F382-R386 HydrophobicContact CD2-CB 4.48Å; F382-R386 WeakPolarHBondContact CD2-O 3.39Å; F382-R386 PolarHBondContact N-O 3Å; F382-R388 HydrophobicContact CE2-CB 3.6Å; F382-R388 HydrophobicContact CZ-CB 4.2Å; F382-W390 HydrophobicContact CE2-CH2 4.16Å; F382-W390 AromaticContact CZ-CH2 3.89Å; F382-W390 HydrophobicContact CZ-CH2 3.89Å; F382-W390 HydrophobicContact CZ-CZ2 4.35Å; F382-V441 PolarHBondContact O-N 2.94Å; F382-V441 VanDerWaalsContact O-N 3.17Å
383	G	86.2	Confident	90	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-13.7	173.1	0	0	0	0	0	114	G364 G365 G385 S440	G364-G383 WeakPolarHBondContact O-CA 3.36Å; G364-G383 PolarHBondContact O-N 2.82Å; G364-G383 VanDerWaalsContact O-N 3.07Å; G365-G383 PolarHBondContact O-N 3.29Å; G365-G383 VanDerWaalsContact O-N 3.16Å; G383-G385 VanDerWaalsContact C-N 3.34Å; G383-S440 PolarHBondContact O-OG 2.97Å; G383-S440 VanDerWaalsContact O-OG 3.1Å
384	S	84.1	Confident	89.7	Confident	38 Å²	38	26.1 Å²	26.1	27%	0.266	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-15.9	174	61.1	0	0	0	0	115.1	E356 F382 R386	E356-S384 WeakPolarHBondContact OE1-CB 3.26Å; E356-S384 PolarHBondContact OE1-OG 2.94Å; F382-S384 WeakPolarHBondContact CB-OG 3.25Å; F382-S384 PolarHBondContact O-N 2.87Å; F382-S384 VanDerWaalsContact O-N 3.11Å; S384-R386 WeakPolarHBondContact OG-CB 3.31Å; S384-R386 PolarHBondContact OG-N 3.01Å
385	G	87.8	Confident	89.6	Confident	4 Å²	4	27.6 Å²	27.6	4%	0.041	16%	0.156	C	C	.	.	S	Bend	trans	90	0.6	-168.6	0	0	0	0	0	114.4	F382 G383 H437 G439	F382-G385 PolarHBondContact O-N 3.32Å; F382-G385 VanDerWaalsContact O-N 3.11Å; G383-G385 VanDerWaalsContact C-N 3.34Å; G385-H437 WeakPolarHBondContact O-CB 3.42Å; G385-G439 WeakPolarHBondContact CA-O 3.46Å; G385-G439 PolarHBondContact N-O 2.95Å
386	R	89.5	Confident	89.5	Confident	49 Å²	49	27.1 Å²	27.1	19%	0.185	15%	0.153	C	C	.	.			trans	-79.7	146.3	172.2	-173.2	175	-171.6	158.5	6.2	110.5	F382 S384 D433 L435	F382-R386 HydrophobicContact CB-CB 4.43Å; F382-R386 HydrophobicContact CD2-CB 4.48Å; F382-R386 WeakPolarHBondContact CD2-O 3.39Å; F382-R386 PolarHBondContact N-O 3Å; S384-R386 WeakPolarHBondContact OG-CB 3.31Å; S384-R386 PolarHBondContact OG-N 3.01Å; R386-D433 HydrophobicContact CG-CB 4.43Å; R386-D433 VanDerWaalsContact CZ-CG 3.47Å; R386-D433 IonicContact CZ-OD1 3.48Å; R386-D433 IonicContact CZ-OD2 3.43Å; R386-D433 IonicContact NE-OD1 3.61Å; R386-D433 PolarHBondContact NE-OD1 2.83Å; R386-D433 IonicContact NE-OD2 2.87Å; R386-D433 IonicContact NH2-OD1 2.62Å; R386-D433 PolarHBondContact NH2-OD1 3Å; R386-D433 IonicContact NH2-OD2 3.63Å; R386-D433 PolarHBondContact NH2-OD2 3.36Å; R386-L435 HydrophobicContact CB-CD2 4.26Å; R386-L435 HydrophobicContact CG-CD2 3.89Å
387	I	92.9	Very high	89.4	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.6	163.9	-54.1	159.1	0	0	0	106.6	A380 D433 L434 V441 V444 S455 W465	A380-I387 WeakPolarHBondContact O-CA 3.38Å; I387-D433 CarbonylContact O-C 3.53Å; I387-D433 WeakPolarHBondContact O-CA 3.22Å; I387-L434 HydrophobicContact CB-CB 4.15Å; I387-L434 HydrophobicContact CB-CD1 4.4Å; I387-L434 HydrophobicContact CG2-CD1 4.25Å; I387-L434 PolarHBondContact N-O 2.8Å; I387-L434 PolarHBondContact O-N 2.84Å; I387-V441 HydrophobicContact CD1-CG1 4.49Å; I387-V441 HydrophobicContact CG1-CG1 4.13Å; I387-V441 HydrophobicContact CG1-CG2 3.94Å; I387-V444 HydrophobicContact CD1-CG2 4.46Å; I387-V444 HydrophobicContact CG1-CG2 4.24Å; I387-V444 HydrophobicContact CG2-CG1 4.26Å; I387-V444 HydrophobicContact CG2-CG2 4.07Å; I387-S455 WeakPolarHBondContact CD1-OG 3.05Å; I387-W465 HydrophobicContact CD1-CZ2 4.13Å
388	R	91.9	Very high	88.9	Confident	44 Å²	44	31.4 Å²	31.4	17%	0.166	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135.5	174.7	-172.5	169.6	-74.9	163.2	-7.2	109.6	A379 A380 F382 W390 D433	A379-R388 CarbonylContact C-O 3.45Å; A379-R388 WeakPolarHBondContact CA-O 3.34Å; A380-R388 PolarHBondContact N-O 3.36Å; A380-R388 PolarHBondContact O-N 3.29Å; F382-R388 HydrophobicContact CE2-CB 3.6Å; F382-R388 HydrophobicContact CZ-CB 4.2Å; R388-W390 HydrophobicContact CB-CH2 3.84Å; R388-W390 HydrophobicContact CB-CZ2 4.03Å; R388-W390 HydrophobicContact CB-CZ3 4.15Å; R388-W390 HydrophobicContact CG-CD2 4.14Å; R388-W390 HydrophobicContact CG-CE3 4.41Å; R388-W390 HydrophobicContact CG-CH2 4.02Å; R388-W390 HydrophobicContact CG-CZ2 3.71Å; R388-W390 HydrophobicContact CG-CZ3 4.35Å; R388-W390 WeakPolarHBondContact O-CZ3 3.38Å; R388-D433 WeakPolarHBondContact CG-OD1 3.42Å; R388-D433 IonicContact CZ-OD1 3.01Å; R388-D433 IonicContact NE-OD1 3.29Å; R388-D433 PolarHBondContact NE-OD1 3.23Å; R388-D433 IonicContact NH2-OD1 2.81Å
389	V	93.9	Very high	88.4	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.4	175	-174.6	0	0	0	0	108.4	Q377 L378 A379 L397 T431 R432 L434 F446 I453 W470	Q377-V389 HydrophobicContact CB-CG1 4.36Å; L378-V389 CarbonylContact O-C 3.25Å; L378-V389 VanDerWaalsContact O-CA 3.32Å; L378-V389 WeakPolarHBondContact O-CA 3.45Å; A379-V389 HydrophobicContact CB-CG2 4.12Å; V389-L397 HydrophobicContact CB-CD1 4.35Å; V389-L397 HydrophobicContact CG1-CD1 4.1Å; V389-T431 CarbonylContact O-C 3.59Å; V389-T431 VanDerWaalsContact O-CA 3.3Å; V389-T431 WeakPolarHBondContact O-CA 3.46Å; V389-R432 PolarHBondContact N-O 2.97Å; V389-R432 PolarHBondContact O-N 3.08Å; V389-L434 HydrophobicContact CG2-CD1 4.31Å; V389-F446 HydrophobicContact CG1-CZ 4.19Å; V389-I453 HydrophobicContact CG2-CD1 3.59Å; V389-W470 HydrophobicContact CB-CH2 4.13Å; V389-W470 HydrophobicContact CB-CZ3 4.29Å; V389-W470 HydrophobicContact CG1-CH2 4.13Å; V389-W470 HydrophobicContact CG2-CH2 4.19Å; V389-W470 HydrophobicContact CG2-CZ3 4.04Å
390	W	93.3	Very high	88	Confident	50 Å²	50	37 Å²	37	19%	0.189	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	141.5	173.9	-61.6	-96.5	0	0	0	109.7	I349 Q377 L378 A380 F382 R388 L430 T431	I349-W390 HydrophobicContact CD1-CH2 4.12Å; I349-W390 HydrophobicContact CD1-CZ3 4.31Å; I349-W390 HydrophobicContact CG2-CH2 4.27Å; I349-W390 HydrophobicContact CG2-CZ2 4.29Å; Q377-W390 VanDerWaalsContact CA-O 3.27Å; Q377-W390 WeakPolarHBondContact CA-O 3.25Å; L378-W390 HydrophobicContact CB-CE3 4.35Å; L378-W390 HydrophobicContact CD2-CE3 4.18Å; L378-W390 HydrophobicContact CG-CE3 4.04Å; L378-W390 HydrophobicContact CG-CZ3 4.42Å; L378-W390 PolarHBondContact N-O 3.16Å; L378-W390 PolarHBondContact O-N 3.38Å; A380-W390 HydrophobicContact CB-CH2 3.73Å; A380-W390 HydrophobicContact CB-CZ3 3.44Å; A380-W390 VanDerWaalsContact CB-CZ3 3.44Å; F382-W390 HydrophobicContact CE2-CH2 4.16Å; F382-W390 AromaticContact CZ-CH2 3.89Å; F382-W390 HydrophobicContact CZ-CH2 3.89Å; F382-W390 HydrophobicContact CZ-CZ2 4.35Å; R388-W390 HydrophobicContact CB-CH2 3.84Å; R388-W390 HydrophobicContact CB-CZ2 4.03Å; R388-W390 HydrophobicContact CB-CZ3 4.15Å; R388-W390 HydrophobicContact CG-CD2 4.14Å; R388-W390 HydrophobicContact CG-CE3 4.41Å; R388-W390 HydrophobicContact CG-CH2 4.02Å; R388-W390 HydrophobicContact CG-CZ2 3.71Å; R388-W390 HydrophobicContact CG-CZ3 4.35Å; R388-W390 WeakPolarHBondContact O-CZ3 3.38Å; W390-L430 WeakPolarHBondContact CA-O 3.34Å; W390-T431 HydrophobicContact CG-CG2 4.28Å
391	S	92.5	Very high	87.6	Confident	15 Å²	15	38.2 Å²	38.2	11%	0.105	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	129.7	160.6	-167.8	0	0	0	0	109.2	G393 E395 L430	S391-G393 PolarHBondContact OG-O 2.83Å; S391-E395 VanDerWaalsContact CB-O 3.24Å; S391-E395 WeakPolarHBondContact CB-O 3.41Å; S391-E395 PolarHBondContact OG-O 3.01Å; S391-L430 PolarHBondContact N-O 3.39Å
392	L	89.3	Confident	87.3	Confident	50 Å²	50	40.7 Å²	40.7	26%	0.262	21%	0.212	S	C	.	.	S	Bend	trans	-92.6	-17.1	174	-60.8	-179.7	0	0	0	111.9	Y347 F371 S375 S376 L378	Y347-L392 HydrophobicContact CD1-CD2 4.12Å; Y347-L392 HydrophobicContact CE1-CD2 3.75Å; Y347-L392 HydrophobicContact CE2-CD1 4.12Å; F371-L392 HydrophobicContact CD1-CD1 3.8Å; F371-L392 HydrophobicContact CE1-CD1 3.81Å; S375-L392 WeakPolarHBondContact O-CD1 3.39Å; S376-L392 PolarHBondContact O-N 3.42Å; L378-L392 HydrophobicContact CB-CD1 4.16Å; L378-L392 HydrophobicContact CB-CD2 4.12Å; L378-L392 HydrophobicContact CB-CG 4.21Å
393	G	84	Confident	87	Confident	29 Å²	29	44.5 Å²	44.5	30%	0.299	24%	0.243	S	C	.	.	S	Bend	trans	-99.9	-177.4	176.3	0	0	0	0	0	113.1	S391 E395	S391-G393 PolarHBondContact OG-O 2.83Å; G393-E395 PolarHBondContact O-N 2.93Å
394	P	80	Confident	87.2	Confident	135 Å²	135	48.3 Å²	48.3	88%	0.877	27%	0.27	S	S	*	.	S	Bend	trans	-72.8	-8.6	175.6	31.7	-35.8	0	0	0	113.3
395	E	81.5	Confident	87.3	Confident	104 Å²	104	51 Å²	51	49%	0.486	28%	0.278	S	S	.	.			trans	-69.5	131	-179.7	-61.1	-173.1	160.4	0	0	111.4	S391 G393 R450	S391-E395 VanDerWaalsContact CB-O 3.24Å; S391-E395 WeakPolarHBondContact CB-O 3.41Å; S391-E395 PolarHBondContact OG-O 3.01Å; G393-E395 PolarHBondContact O-N 2.93Å; E395-R450 IonicContact OE2-CZ 3.19Å; E395-R450 IonicContact OE2-NH1 3.71Å; E395-R450 PolarHBondContact OE2-NH1 3.08Å; E395-R450 IonicContact OE2-NH2 2.75Å; E395-R450 PolarHBondContact OE2-NH2 3.37Å
396	S	84.4	Confident	87.2	Confident	18 Å²	18	52.9 Å²	52.9	13%	0.126	29%	0.288	C	S	.	.			trans	-74.3	146.2	169.8	58.2	0	0	0	0	111.3	R398 D423	S396-R398 PolarHBondContact O-N 3.49Å; S396-R398 WeakPolarHBondContact OG-CG 3.48Å; S396-R398 PolarHBondContact OG-NE 2.76Å; S396-R398 VanDerWaalsContact OG-NE 3.1Å; S396-D423 WeakPolarHBondContact CB-OD1 3.36Å; S396-D423 PolarHBondContact OG-OD1 2.87Å; S396-D423 VanDerWaalsContact OG-OD1 3.13Å; S396-D423 PolarHBondContact OG-OD2 3.27Å
397	L	86.4	Confident	87.1	Confident	4 Å²	4	55 Å²	55	2%	0.021	31%	0.31	C	S	.	.			trans	-78.2	71.7	171.3	-59.8	178.5	0	0	0	109.5	Q377 V389 H429 R432 W470	Q377-L397 HydrophobicContact CG-CD2 4.14Å; Q377-L397 VanDerWaalsContact NE2-CD2 3.3Å; V389-L397 HydrophobicContact CB-CD1 4.35Å; V389-L397 HydrophobicContact CG1-CD1 4.1Å; L397-H429 WeakPolarHBondContact CB-O 3.41Å; L397-H429 PolarHBondContact N-O 3.25Å; L397-R432 HydrophobicContact CB-CG 3.78Å; L397-R432 HydrophobicContact CD1-CB 4.09Å; L397-R432 HydrophobicContact CD1-CG 3.97Å; L397-R432 PolarHBondContact O-NE 2.81Å; L397-W470 HydrophobicContact CB-CZ2 4.18Å; L397-W470 HydrophobicContact CD2-CZ2 4.4Å
398	R	83.5	Confident	86.9	Confident	111 Å²	111	61.9 Å²	61.9	42%	0.419	35%	0.346	S	S	.	.			trans	-63.6	151.3	-178	-60.4	-172	175.8	-136.9	-10.7	111.6	S396 L421 D423 W470	S396-R398 PolarHBondContact O-N 3.49Å; S396-R398 WeakPolarHBondContact OG-CG 3.48Å; S396-R398 PolarHBondContact OG-NE 2.76Å; S396-R398 VanDerWaalsContact OG-NE 3.1Å; R398-L421 HydrophobicContact CB-CB 3.84Å; R398-D423 WeakPolarHBondContact CG-OD1 3.3Å; R398-D423 IonicContact CZ-OD2 3.41Å; R398-D423 IonicContact NE-OD2 3.47Å; R398-D423 PolarHBondContact NE-OD2 2.72Å; R398-D423 IonicContact NH2-OD2 3.76Å; R398-D423 PolarHBondContact NH2-OD2 3.19Å; R398-W470 PolarHBondContact O-NE1 3.42Å; R398-W470 VanDerWaalsContact O-NE1 3.12Å
399	R	84.1	Confident	86.7	Confident	75 Å²	75	61.9 Å²	61.9	28%	0.283	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	145.5	177.3	-171	176.2	-177.4	-165	-4.5	110.3	L421 Y422 E424 L468 I469	R399-L421 CarbonylContact O-C 3.52Å; R399-L421 VanDerWaalsContact O-CA 3.31Å; R399-L421 WeakPolarHBondContact O-CA 3.09Å; R399-Y422 HydrophobicContact CB-CD1 4.47Å; R399-Y422 HydrophobicContact CB-CE1 4.04Å; R399-Y422 HydrophobicContact CG-CE1 4.16Å; R399-Y422 PolarHBondContact N-O 3.06Å; R399-Y422 WeakPolarHBondContact O-CD1 3.23Å; R399-Y422 PolarHBondContact O-N 3Å; R399-E424 IonicContact CZ-OE1 3.88Å; R399-E424 IonicContact NH1-OE1 2.83Å; R399-E424 PolarHBondContact NH1-OE1 3.2Å; R399-L468 CarbonylContact C-O 3.53Å; R399-L468 WeakPolarHBondContact CA-O 3.47Å; R399-I469 WeakPolarHBondContact CG-O 3.46Å; R399-I469 PolarHBondContact NE-O 2.87Å
400	M	85.6	Confident	86.3	Confident	49 Å²	49	66.9 Å²	66.9	24%	0.241	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	134.3	171.6	-174.2	176.4	-71.6	0	0	110.7	L406 M420 L421 Y422 L468	M400-L406 HydrophobicContact CG-CD1 3.9Å; M400-L406 HydrophobicContact CG-CD2 4.28Å; M400-L406 HydrophobicContact SD-CD1 3.98Å; M400-M420 WeakPolarHBondContact CA-O 3.23Å; M400-M420 HydrophobicContact CE-CE 4.18Å; M400-L421 HydrophobicContact CB-CD2 4.25Å; M400-Y422 WeakPolarHBondContact O-CE1 3.31Å; M400-L468 HydrophobicContact CE-CB 4.2Å; M400-L468 HydrophobicContact CE-CD1 4.15Å; M400-L468 PolarHBondContact N-O 3Å
401	L	86.3	Confident	85.9	Confident	25 Å²	25	73.5 Å²	73.5	13%	0.131	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-53.7	149.9	175.3	-72.3	171.4	0	0	0	111.4	E405 L406 L409 N419 M420 Y422	L401-E405 HydrophobicContact CB-CB 4.29Å; L401-E405 HydrophobicContact CD1-CB 4.46Å; L401-E405 VanDerWaalsContact CD2-OE2 3.23Å; L401-E405 WeakPolarHBondContact CD2-OE2 3.49Å; L401-L406 HydrophobicContact CB-CD2 3.82Å; L401-L406 HydrophobicContact CB-CG 3.83Å; L401-L406 WeakPolarHBondContact O-CD1 3.46Å; L401-L406 WeakPolarHBondContact O-CG 3.48Å; L401-L409 HydrophobicContact CD1-CD1 4.05Å; L401-N419 WeakPolarHBondContact CD1-O 3.41Å; L401-M420 PolarHBondContact N-O 2.79Å; L401-Y422 HydrophobicContact CB-CD1 4.33Å; L401-Y422 HydrophobicContact CD2-CD1 3.38Å; L401-Y422 HydrophobicContact CD2-CD2 4.48Å; L401-Y422 HydrophobicContact CD2-CE1 4.08Å; L401-Y422 HydrophobicContact CD2-CG 3.64Å; L401-Y422 HydrophobicContact CG-CD1 3.82Å; L401-Y422 HydrophobicContact CG-CG 4.41Å
402	P	85.5	Confident	85.6	Confident	52 Å²	52	79.8 Å²	79.8	34%	0.338	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-61.2	154.6	173	26.9	-33.9	0	0	0	111.1	S404 E405 L406	P402-S404 PolarHBondContact O-N 2.87Å; P402-E405 WeakPolarHBondContact CD-OE2 3.33Å; P402-E405 HydrophobicContact CG-CB 4.21Å; P402-E405 HydrophobicContact CG-CG 4.05Å; P402-E405 PolarHBondContact O-N 3.35Å; P402-L406 PolarHBondContact O-N 3.32Å
403	A	85.4	Confident	85.5	Confident	82 Å²	82	80.3 Å²	80.3	68%	0.678	44%	0.441	S	S	*	.	H	α-helix	trans	-55.7	-29	-175.5	0	0	0	0	0	114.1	S407	A403-S407 PolarHBondContact O-N 3.45Å
404	S	89.5	Confident	85.4	Confident	81 Å²	81	84.3 Å²	84.3	57%	0.566	47%	0.465	S	S	*	.	H	α-helix	trans	-68.5	-32	176.9	49.9	0	0	0	0	113.9	P402 S407	P402-S404 PolarHBondContact O-N 2.87Å; S404-S407 PolarHBondContact O-OG 2.88Å
405	E	86.7	Confident	85.6	Confident	93 Å²	93	86 Å²	86	44%	0.435	45%	0.453	S	S	.	.	H	α-helix	trans	-92.3	-34.6	-179.7	-69.4	174.3	-174.2	0	0	110.8	L401 P402 S407 L408	L401-E405 HydrophobicContact CB-CB 4.29Å; L401-E405 HydrophobicContact CD1-CB 4.46Å; L401-E405 VanDerWaalsContact CD2-OE2 3.23Å; L401-E405 WeakPolarHBondContact CD2-OE2 3.49Å; P402-E405 WeakPolarHBondContact CD-OE2 3.33Å; P402-E405 HydrophobicContact CG-CB 4.21Å; P402-E405 HydrophobicContact CG-CG 4.05Å; P402-E405 PolarHBondContact O-N 3.35Å; E405-S407 PolarHBondContact O-N 3Å; E405-L408 WeakPolarHBondContact O-CB 3.32Å; E405-L408 PolarHBondContact O-N 2.96Å
406	L	85.9	Confident	85.7	Confident	45 Å²	45	82.3 Å²	82.3	24%	0.236	44%	0.438	C	S	.	.	H	α-helix	trans	-57.7	-33.8	172.3	-74.2	175.3	0	0	0	112.9	M400 L401 P402 L408 L409 M420	M400-L406 HydrophobicContact CG-CD1 3.9Å; M400-L406 HydrophobicContact CG-CD2 4.28Å; M400-L406 HydrophobicContact SD-CD1 3.98Å; L401-L406 HydrophobicContact CB-CD2 3.82Å; L401-L406 HydrophobicContact CB-CG 3.83Å; L401-L406 WeakPolarHBondContact O-CD1 3.46Å; L401-L406 WeakPolarHBondContact O-CG 3.48Å; P402-L406 PolarHBondContact O-N 3.32Å; L406-L408 PolarHBondContact O-N 3.42Å; L406-L409 HydrophobicContact CD2-CD1 4.05Å; L406-L409 PolarHBondContact O-N 3.31Å; L406-M420 HydrophobicContact CD2-CB 3.93Å; L406-M420 HydrophobicContact CD2-CE 3.96Å; L406-M420 HydrophobicContact CD2-CG 3.7Å
407	S	87.4	Confident	85.3	Confident	92 Å²	92	89.5 Å²	89.5	64%	0.643	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-19.6	179.1	66.6	0	0	0	0	113.5	A403 S404 E405	A403-S407 PolarHBondContact O-N 3.45Å; S404-S407 PolarHBondContact O-OG 2.88Å; E405-S407 PolarHBondContact O-N 3Å
408	L	88.8	Confident	85	Confident	145 Å²	145	93.2 Å²	93.2	76%	0.759	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-14.2	177.6	-61.8	173	0	0	0	112.6	E405 L406	E405-L408 WeakPolarHBondContact O-CB 3.32Å; E405-L408 PolarHBondContact O-N 2.96Å; L406-L408 PolarHBondContact O-N 3.42Å
409	L	86.1	Confident	85	Confident	45 Å²	45	91.1 Å²	91.1	24%	0.236	49%	0.487	C	S	.	.	S	Bend	trans	-73.1	132.6	178.6	-65.1	178	0	0	0	110.8	L401 L406 K411 N419 M420	L401-L409 HydrophobicContact CD1-CD1 4.05Å; L406-L409 HydrophobicContact CD2-CD1 4.05Å; L406-L409 PolarHBondContact O-N 3.31Å; L409-K411 PolarHBondContact O-N 3.47Å; L409-N419 HydrophobicContact CD1-CB 4.41Å; L409-N419 HydrophobicContact CD2-CB 4.05Å; L409-M420 HydrophobicContact CD1-CB 4.37Å; L409-M420 HydrophobicContact CD1-CG 3.71Å
410	D	85.9	Confident	84.9	Confident	105 Å²	105	90.1 Å²	90.1	56%	0.561	49%	0.487	S	S	*	.			trans	-69	117.7	172.4	-176.5	1.7	0	0	0	109.7	D412 D413 V416	D410-D412 PolarHBondContact O-N 3.23Å; D410-D412 PolarHBondContact OD1-N 3.04Å; D410-D412 VanDerWaalsContact OD1-N 3.14Å; D410-D413 PolarHBondContact O-N 2.85Å; D410-V416 WeakPolarHBondContact O-CG2 3.48Å
411	K	84.4	Confident	84.8	Confident	188 Å²	188	90.1 Å²	90.1	82%	0.817	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-21.7	-175.9	-63.8	177.8	-175.7	174.1	0	113.2	L409	L409-K411 PolarHBondContact O-N 3.47Å
412	D	85.9	Confident	84.4	Confident	148 Å²	148	91.9 Å²	91.9	79%	0.791	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-6.2	-177	-64.2	-30.5	0	0	0	112.4	D410 S414	D410-D412 PolarHBondContact O-N 3.23Å; D410-D412 PolarHBondContact OD1-N 3.04Å; D410-D412 VanDerWaalsContact OD1-N 3.14Å; D412-S414 PolarHBondContact O-N 2.86Å
413	D	87.3	Confident	83.8	Confident	60 Å²	60	90.5 Å²	90.5	32%	0.321	48%	0.482	S	S	.	.			trans	-70.3	125.2	175.8	174.9	17.5	0	0	0	111.3	D410 R415 V416 N419	D410-D413 PolarHBondContact O-N 2.85Å; D413-R415 PolarHBondContact O-N 3.5Å; D413-R415 PolarHBondContact OD1-N 3.33Å; D413-V416 HydrophobicContact CB-CG2 3.88Å; D413-V416 VanDerWaalsContact O-CB 3.3Å; D413-V416 WeakPolarHBondContact O-CB 3.27Å; D413-V416 WeakPolarHBondContact O-CG2 3.48Å; D413-V416 PolarHBondContact O-N 3.36Å; D413-N419 PolarHBondContact OD2-ND2 2.82Å
414	S	83.7	Confident	82.9	Confident	114 Å²	114	89 Å²	89	80%	0.797	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-27.8	173.5	62.9	0	0	0	0	113.9	D412	D412-S414 PolarHBondContact O-N 2.86Å
415	R	83.5	Confident	81.9	Confident	169 Å²	169	91.8 Å²	91.8	64%	0.638	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	8.7	-179.9	-65.2	-178.6	-178.9	174.7	0.7	113.2	D413 K417 T418 N419	D413-R415 PolarHBondContact O-N 3.5Å; D413-R415 PolarHBondContact OD1-N 3.33Å; R415-K417 PolarHBondContact O-N 2.8Å; R415-K417 VanDerWaalsContact O-N 3.17Å; R415-T418 WeakPolarHBondContact CB-OG1 3.23Å; R415-T418 PolarHBondContact O-N 3.14Å; R415-T418 PolarHBondContact O-OG1 2.89Å; R415-N419 WeakPolarHBondContact O-CB 3.48Å; R415-N419 PolarHBondContact O-N 3.18Å; R415-N419 PolarHBondContact O-ND2 3.08Å; R415-N419 PolarHBondContact O-OD1 3.43Å
416	V	82.9	Confident	80.8	Confident	27 Å²	27	95 Å²	95	16%	0.164	49%	0.49	C	S	.	.	H	α-helix	trans	-48.9	-47.8	177.4	162.3	0	0	0	0	111.8	D410 D413 T418 N419 M420	D410-V416 WeakPolarHBondContact O-CG2 3.48Å; D413-V416 HydrophobicContact CB-CG2 3.88Å; D413-V416 VanDerWaalsContact O-CB 3.3Å; D413-V416 WeakPolarHBondContact O-CB 3.27Å; D413-V416 WeakPolarHBondContact O-CG2 3.48Å; D413-V416 PolarHBondContact O-N 3.36Å; V416-T418 VanDerWaalsContact C-N 3.27Å; V416-T418 PolarHBondContact O-N 2.99Å; V416-N419 CarbonylContact O-C 3.6Å; V416-N419 PolarHBondContact O-N 3.29Å; V416-N419 VanDerWaalsContact O-N 3.09Å; V416-M420 HydrophobicContact CG1-CG 3.9Å; V416-M420 HydrophobicContact CG1-SD 3.64Å; V416-M420 WeakPolarHBondContact O-CB 3.11Å; V416-M420 WeakPolarHBondContact O-CG 3.13Å; V416-M420 PolarHBondContact O-N 2.81Å
417	K	76.9	Confident	80.2	Confident	169 Å²	169	98.9 Å²	98.9	74%	0.735	51%	0.507	S	S	*	.	H	α-helix	trans	-59.8	-37	-178.3	-68.9	-178.3	-178.9	174.3	0	113.1	R415	R415-K417 PolarHBondContact O-N 2.8Å; R415-K417 VanDerWaalsContact O-N 3.17Å
418	T	79.6	Confident	79.5	Confident	83 Å²	83	99.2 Å²	99.2	51%	0.509	51%	0.505	S	S	.	.	H	α-helix	trans	-76.3	-38.1	175.8	49.2	0	0	0	0	111.3	R415 V416 M420 L421	R415-T418 WeakPolarHBondContact CB-OG1 3.23Å; R415-T418 PolarHBondContact O-N 3.14Å; R415-T418 PolarHBondContact O-OG1 2.89Å; V416-T418 VanDerWaalsContact C-N 3.27Å; V416-T418 PolarHBondContact O-N 2.99Å; T418-M420 VanDerWaalsContact C-N 3.3Å; T418-M420 PolarHBondContact O-N 3.35Å; T418-L421 PolarHBondContact O-N 3.25Å
419	N	82.8	Confident	78.8	Confident	67 Å²	67	94.2 Å²	94.2	36%	0.358	48%	0.478	S	S	.	.	H	α-helix	trans	-71.7	-27	-179.8	-61.8	-11.4	0	0	0	112	L401 L409 D413 R415 V416 L421	L401-N419 WeakPolarHBondContact CD1-O 3.41Å; L409-N419 HydrophobicContact CD1-CB 4.41Å; L409-N419 HydrophobicContact CD2-CB 4.05Å; D413-N419 PolarHBondContact OD2-ND2 2.82Å; R415-N419 WeakPolarHBondContact O-CB 3.48Å; R415-N419 PolarHBondContact O-N 3.18Å; R415-N419 PolarHBondContact O-ND2 3.08Å; R415-N419 PolarHBondContact O-OD1 3.43Å; V416-N419 CarbonylContact O-C 3.6Å; V416-N419 PolarHBondContact O-N 3.29Å; V416-N419 VanDerWaalsContact O-N 3.09Å; N419-L421 PolarHBondContact O-N 3.01Å
420	M	83.7	Confident	78.8	Confident	54 Å²	54	96 Å²	96	27%	0.266	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.9	173	-75.8	176.4	78.6	0	0	112.9	M400 L401 L406 L409 V416 T418	M400-M420 WeakPolarHBondContact CA-O 3.23Å; M400-M420 HydrophobicContact CE-CE 4.18Å; L401-M420 PolarHBondContact N-O 2.79Å; L406-M420 HydrophobicContact CD2-CB 3.93Å; L406-M420 HydrophobicContact CD2-CE 3.96Å; L406-M420 HydrophobicContact CD2-CG 3.7Å; L409-M420 HydrophobicContact CD1-CB 4.37Å; L409-M420 HydrophobicContact CD1-CG 3.71Å; V416-M420 HydrophobicContact CG1-CG 3.9Å; V416-M420 HydrophobicContact CG1-SD 3.64Å; V416-M420 WeakPolarHBondContact O-CB 3.11Å; V416-M420 WeakPolarHBondContact O-CG 3.13Å; V416-M420 PolarHBondContact O-N 2.81Å; T418-M420 VanDerWaalsContact C-N 3.3Å; T418-M420 PolarHBondContact O-N 3.35Å
421	L	81.6	Confident	78.9	Confident	48 Å²	48	94 Å²	94	25%	0.251	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	124	-174.4	-63.7	178.4	0	0	0	110.2	R398 R399 M400 T418 N419 L468	R398-L421 HydrophobicContact CB-CB 3.84Å; R399-L421 CarbonylContact O-C 3.52Å; R399-L421 VanDerWaalsContact O-CA 3.31Å; R399-L421 WeakPolarHBondContact O-CA 3.09Å; M400-L421 HydrophobicContact CB-CD2 4.25Å; T418-L421 PolarHBondContact O-N 3.25Å; N419-L421 PolarHBondContact O-N 3.01Å; L421-L468 HydrophobicContact CD2-CD2 4.25Å
422	Y	77.9	Confident	79.1	Confident	63 Å²	63	86.5 Å²	86.5	25%	0.247	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	152.4	-179.6	77.3	-73.4	0	0	0	111.7	R399 M400 L401 E424	R399-Y422 HydrophobicContact CB-CD1 4.47Å; R399-Y422 HydrophobicContact CB-CE1 4.04Å; R399-Y422 HydrophobicContact CG-CE1 4.16Å; R399-Y422 PolarHBondContact N-O 3.06Å; R399-Y422 WeakPolarHBondContact O-CD1 3.23Å; R399-Y422 PolarHBondContact O-N 3Å; M400-Y422 WeakPolarHBondContact O-CE1 3.31Å; L401-Y422 HydrophobicContact CB-CD1 4.33Å; L401-Y422 HydrophobicContact CD2-CD1 3.38Å; L401-Y422 HydrophobicContact CD2-CD2 4.48Å; L401-Y422 HydrophobicContact CD2-CE1 4.08Å; L401-Y422 HydrophobicContact CD2-CG 3.64Å; L401-Y422 HydrophobicContact CG-CD1 3.82Å; L401-Y422 HydrophobicContact CG-CG 4.41Å; Y422-E424 HydrophobicContact CD2-CG 4.22Å; Y422-E424 HydrophobicContact CE2-CB 4.42Å; Y422-E424 HydrophobicContact CE2-CG 3.39Å; Y422-E424 PolarHBondContact OH-OE1 3.44Å
423	D	73.1	Confident	79.3	Confident	22 Å²	22	82 Å²	82	12%	0.118	42%	0.421	C	S	.	.			trans	-95.6	128.1	166.5	-78.6	-43.9	0	0	0	107.6	S396 R398 N425	S396-D423 WeakPolarHBondContact CB-OD1 3.36Å; S396-D423 PolarHBondContact OG-OD1 2.87Å; S396-D423 VanDerWaalsContact OG-OD1 3.13Å; S396-D423 PolarHBondContact OG-OD2 3.27Å; R398-D423 WeakPolarHBondContact CG-OD1 3.3Å; R398-D423 IonicContact CZ-OD2 3.41Å; R398-D423 IonicContact NE-OD2 3.47Å; R398-D423 PolarHBondContact NE-OD2 2.72Å; R398-D423 IonicContact NH2-OD2 3.76Å; R398-D423 PolarHBondContact NH2-OD2 3.19Å; D423-N425 PolarHBondContact O-N 3.39Å
424	E	67.6	Low	79.6	Confident	51 Å²	51	79.3 Å²	79.3	24%	0.238	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-68.9	120.1	175.6	-75.3	165.7	163.6	0	0	108.1	R399 Y422 H429 R432	R399-E424 IonicContact CZ-OE1 3.88Å; R399-E424 IonicContact NH1-OE1 2.83Å; R399-E424 PolarHBondContact NH1-OE1 3.2Å; Y422-E424 HydrophobicContact CD2-CG 4.22Å; Y422-E424 HydrophobicContact CE2-CB 4.42Å; Y422-E424 HydrophobicContact CE2-CG 3.39Å; Y422-E424 PolarHBondContact OH-OE1 3.44Å; E424-H429 PolarHBondContact O-NE2 3.44Å; E424-R432 IonicContact OE2-CZ 3.81Å; E424-R432 IonicContact OE2-NH1 3.64Å; E424-R432 PolarHBondContact OE2-NH1 3Å; E424-R432 IonicContact OE2-NH2 3.71Å; E424-R432 PolarHBondContact OE2-NH2 3.12Å
425	N	67.4	Low	79.9	Confident	140 Å²	140	79.7 Å²	79.7	75%	0.749	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	70	22	-179.7	-49.4	-34.1	0	0	0	116.5	D423 E427	D423-N425 PolarHBondContact O-N 3.39Å; N425-E427 PolarHBondContact O-N 3.11Å
426	D	64.7	Low	80.2	Confident	161 Å²	161	73 Å²	73	86%	0.861	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	57.5	11.4	-173.8	-62.7	-38	0	0	0	114.2
427	E	72.5	Confident	80.7	Confident	126 Å²	126	72.4 Å²	72.4	59%	0.589	38%	0.379	S	S	*	.			trans	-88.4	134.1	175.5	-69.6	-171.4	167.9	0	0	110.4	N425 H429	N425-E427 PolarHBondContact O-N 3.11Å; E427-H429 PolarHBondContact O-CD2 3.26Å; E427-H429 PolarHBondContact O-N 3.07Å; E427-H429 VanDerWaalsContact O-N 3.09Å
428	T	72.6	Confident	81.3	Confident	98 Å²	98	71.3 Å²	71.3	60%	0.601	38%	0.38	S	S	*	.			trans	-71.1	105.4	177	52.9	0	0	0	0	110.6	L430	T428-L430 PolarHBondContact O-N 3.45Å; T428-L430 VanDerWaalsContact O-N 3.09Å
429	H	75.4	Confident	81.8	Confident	41 Å²	41	67.8 Å²	67.8	19%	0.19	36%	0.36	C	S	.	.			trans	-78.8	92.8	175.6	-69.5	-84.1	0	0	0	110.5	L397 E424 E427 T431	L397-H429 WeakPolarHBondContact CB-O 3.41Å; L397-H429 PolarHBondContact N-O 3.25Å; E424-H429 PolarHBondContact O-NE2 3.44Å; E427-H429 PolarHBondContact O-CD2 3.26Å; E427-H429 PolarHBondContact O-N 3.07Å; E427-H429 VanDerWaalsContact O-N 3.09Å; H429-T431 PolarHBondContact O-N 2.92Å
430	L	84.4	Confident	82.2	Confident	83 Å²	83	65.4 Å²	65.4	44%	0.435	35%	0.349	S	S	.	.			trans	-77	-12.5	174.3	-62.5	177.6	0	0	0	112.8	W390 S391 T428	W390-L430 WeakPolarHBondContact CA-O 3.34Å; S391-L430 PolarHBondContact N-O 3.39Å; T428-L430 PolarHBondContact O-N 3.45Å; T428-L430 VanDerWaalsContact O-N 3.09Å
431	T	88.6	Confident	82.7	Confident	63 Å²	63	62.8 Å²	62.8	39%	0.387	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	137	-178.9	64.9	0	0	0	0	111.4	V389 W390 H429	V389-T431 CarbonylContact O-C 3.59Å; V389-T431 VanDerWaalsContact O-CA 3.3Å; V389-T431 WeakPolarHBondContact O-CA 3.46Å; W390-T431 HydrophobicContact CG-CG2 4.28Å; H429-T431 PolarHBondContact O-N 2.92Å
432	R	89.6	Confident	83.3	Confident	29 Å²	29	63.3 Å²	63.3	11%	0.109	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	147	171.6	-71.5	-71.4	-171	172.4	-5	110.1	V389 L397 E424 W470	V389-R432 PolarHBondContact N-O 2.97Å; V389-R432 PolarHBondContact O-N 3.08Å; L397-R432 HydrophobicContact CB-CG 3.78Å; L397-R432 HydrophobicContact CD1-CB 4.09Å; L397-R432 HydrophobicContact CD1-CG 3.97Å; L397-R432 PolarHBondContact O-NE 2.81Å; E424-R432 IonicContact OE2-CZ 3.81Å; E424-R432 IonicContact OE2-NH1 3.64Å; E424-R432 PolarHBondContact OE2-NH1 3Å; E424-R432 IonicContact OE2-NH2 3.71Å; E424-R432 PolarHBondContact OE2-NH2 3.12Å; R432-W470 HydrophobicContact CB-CD2 4.1Å; R432-W470 HydrophobicContact CB-CE3 3.75Å; R432-W470 HydrophobicContact CB-CH2 4.22Å; R432-W470 HydrophobicContact CB-CZ3 3.83Å; R432-W470 HydrophobicContact CG-CD2 4.04Å; R432-W470 HydrophobicContact CG-CE3 4.22Å; R432-W470 HydrophobicContact CG-CG 4.49Å; R432-W470 HydrophobicContact CG-CZ2 4.42Å
433	D	89.5	Confident	84.1	Confident	54 Å²	54	60.6 Å²	60.6	29%	0.289	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	134.3	177.8	-57.9	-71.7	0	0	0	111.1	R386 I387 R388	R386-D433 HydrophobicContact CG-CB 4.43Å; R386-D433 VanDerWaalsContact CZ-CG 3.47Å; R386-D433 IonicContact CZ-OD1 3.48Å; R386-D433 IonicContact CZ-OD2 3.43Å; R386-D433 IonicContact NE-OD1 3.61Å; R386-D433 PolarHBondContact NE-OD1 2.83Å; R386-D433 IonicContact NE-OD2 2.87Å; R386-D433 IonicContact NH2-OD1 2.62Å; R386-D433 PolarHBondContact NH2-OD1 3Å; R386-D433 IonicContact NH2-OD2 3.63Å; R386-D433 PolarHBondContact NH2-OD2 3.36Å; I387-D433 CarbonylContact O-C 3.53Å; I387-D433 WeakPolarHBondContact O-CA 3.22Å; R388-D433 WeakPolarHBondContact CG-OD1 3.42Å; R388-D433 IonicContact CZ-OD1 3.01Å; R388-D433 IonicContact NE-OD1 3.29Å; R388-D433 PolarHBondContact NE-OD1 3.23Å; R388-D433 IonicContact NH2-OD1 2.81Å
434	L	92.4	Very high	85.2	Confident	4 Å²	4	60 Å²	60	2%	0.021	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	114.8	172.9	-55	167.3	0	0	0	107.7	I387 V389 I453 W465 W470	I387-L434 HydrophobicContact CB-CB 4.15Å; I387-L434 HydrophobicContact CB-CD1 4.4Å; I387-L434 HydrophobicContact CG2-CD1 4.25Å; I387-L434 PolarHBondContact N-O 2.8Å; I387-L434 PolarHBondContact O-N 2.84Å; V389-L434 HydrophobicContact CG2-CD1 4.31Å; L434-I453 HydrophobicContact CD1-CD1 4.01Å; L434-W465 HydrophobicContact CB-CD2 4.04Å; L434-W465 HydrophobicContact CB-CE3 3.83Å; L434-W465 HydrophobicContact CB-CH2 4.38Å; L434-W465 HydrophobicContact CB-CZ3 4Å; L434-W465 HydrophobicContact CD1-CB 3.81Å; L434-W465 HydrophobicContact CD1-CD2 4.04Å; L434-W465 HydrophobicContact CD1-CE3 4.44Å; L434-W465 HydrophobicContact CD1-CG 3.74Å; L434-W465 HydrophobicContact CD2-CB 4.25Å; L434-W465 HydrophobicContact CD2-CD2 4.37Å; L434-W465 HydrophobicContact CD2-CE3 3.98Å; L434-W465 HydrophobicContact CG-CD2 4.39Å; L434-W465 HydrophobicContact CG-CE3 4.31Å; L434-W470 HydrophobicContact CD1-CZ3 4.48Å; L434-W470 HydrophobicContact CD2-CE3 3.61Å; L434-W470 HydrophobicContact CD2-CZ3 3.89Å; L434-W470 HydrophobicContact CG-CE3 4.42Å; L434-W470 HydrophobicContact CG-CZ3 4.27Å
435	L	91.1	Very high	86.6	Confident	122 Å²	122	58.1 Å²	58.1	64%	0.639	32%	0.318	S	S	*	.			trans	-109.6	133.1	-178.5	-60.5	175.9	0	0	0	109.6	R386	R386-L435 HydrophobicContact CB-CD2 4.26Å; R386-L435 HydrophobicContact CG-CD2 3.89Å
436	G	89.9	Confident	87.9	Confident	29 Å²	29	52.2 Å²	52.2	30%	0.299	29%	0.285	S	S	.	.			trans	166.3	-28.1	170.3	0	0	0	0	0	115.1	R463	G436-R463 VanDerWaalsContact CA-NH1 3.26Å; G436-R463 PolarHBondContact O-NH1 3.14Å; G436-R463 PolarHBondContact O-NH2 2.89Å
437	H	92.2	Very high	89.3	Confident	13 Å²	13	44.7 Å²	44.7	6%	0.06	25%	0.245	C	C	.	.			trans	-64.2	146.2	173.9	-79.7	-63.4	0	0	0	111.3	G385 V441 S455 S457 D459 T461	G385-H437 WeakPolarHBondContact O-CB 3.42Å; H437-V441 HydrophobicContact CB-CG2 4.36Å; H437-S455 PolarHBondContact NE2-OG 3.47Å; H437-S457 WeakPolarHBondContact CE1-CB 3.38Å; H437-S457 WeakPolarHBondContact ND1-CB 3.45Å; H437-S457 PolarHBondContact ND1-OG 3.48Å; H437-D459 WeakPolarHBondContact CA-OD2 3.35Å; H437-D459 IonicContact CG-OD2 3.6Å; H437-D459 IonicContact ND1-OD1 3.41Å; H437-D459 PolarHBondContact ND1-OD1 2.9Å; H437-D459 IonicContact ND1-OD2 3.61Å; H437-D459 PolarHBondContact ND1-OD2 3.09Å; H437-T461 PolarHBondContact CE1-O 2.81Å; H437-T461 PolarHBondContact CE1-OG1 3.21Å; H437-T461 PolarHBondContact ND1-OG1 2.81Å
438	L	90.6	Very high	90.1	Very high	146 Å²	146	39.7 Å²	39.7	76%	0.764	22%	0.224	S	C	*	.	S	Bend	trans	-98	-6.3	-178.2	-61.5	176.5	0	0	0	112.9	D459	L438-D459 HydrophobicContact CB-CB 4.19Å; L438-D459 PolarHBondContact N-OD2 3.15Å
439	G	89.1	Confident	90.7	Very high	9 Å²	9	37.6 Å²	37.6	9%	0.093	21%	0.209	C	C	.	.	S	Bend	trans	-145.2	-180	-177.6	0	0	0	0	0	112	G385 V441 S457 S458	G385-G439 WeakPolarHBondContact CA-O 3.46Å; G385-G439 PolarHBondContact N-O 2.95Å; G439-V441 PolarHBondContact O-N 3.4Å; G439-S457 PolarHBondContact O-OG 3.41Å; G439-S458 VanDerWaalsContact CA-OG 3.31Å; G439-S458 WeakPolarHBondContact CA-OG 3.42Å
440	S	91	Very high	91.3	Very high	17 Å²	17	38 Å²	38	12%	0.119	21%	0.209	C	C	.	.			trans	-57.6	132.4	-175.8	-53.2	0	0	0	0	111.6	G383 S457 S458	G383-S440 PolarHBondContact O-OG 2.97Å; G383-S440 VanDerWaalsContact O-OG 3.1Å; S440-S457 CarbonylContact O-C 3.6Å; S440-S457 VanDerWaalsContact O-CA 3.31Å; S440-S457 WeakPolarHBondContact O-CA 3.34Å; S440-S457 PolarHBondContact O-OG 3.28Å; S440-S458 PolarHBondContact N-OG 2.87Å; S440-S458 VanDerWaalsContact N-OG 3.09Å; S440-S458 PolarHBondContact O-N 2.87Å
441	V	94.4	Very high	91.5	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	121.3	175.6	-176.7	0	0	0	0	108.7	T367 F382 I387 H437 G439 G443 V444 A456	T367-V441 VanDerWaalsContact CB-O 3.31Å; T367-V441 WeakPolarHBondContact CB-O 3.28Å; T367-V441 PolarHBondContact OG1-O 2.83Å; F382-V441 PolarHBondContact O-N 2.94Å; F382-V441 VanDerWaalsContact O-N 3.17Å; I387-V441 HydrophobicContact CD1-CG1 4.49Å; I387-V441 HydrophobicContact CG1-CG1 4.13Å; I387-V441 HydrophobicContact CG1-CG2 3.94Å; H437-V441 HydrophobicContact CB-CG2 4.36Å; G439-V441 PolarHBondContact O-N 3.4Å; V441-G443 WeakPolarHBondContact CG1-O 3.47Å; V441-V444 HydrophobicContact CG1-CG2 3.62Å; V441-A456 CarbonylContact C-O 3.53Å; V441-A456 WeakPolarHBondContact CA-O 3.37Å; V441-A456 WeakPolarHBondContact CG1-O 3.27Å
442	F	94.7	Very high	91.7	Very high	58 Å²	58	35.8 Å²	35.8	25%	0.254	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-19.1	179.9	-65	-63.6	0	0	0	113.8	T367 C368 A456 S458 W485	T367-F442 HydrophobicContact CG2-CD1 4.4Å; T367-F442 HydrophobicContact CG2-CE1 4.41Å; C368-F442 VanDerWaalsContact CB-O 3.23Å; C368-F442 WeakPolarHBondContact CB-O 3.34Å; C368-F442 VanDerWaalsContact SG-C 3.59Å; F442-A456 PolarHBondContact N-O 2.84Å; F442-S458 VanDerWaalsContact CE2-CB 3.48Å; F442-W485 CarbonylContact C-O 3.53Å; F442-W485 VanDerWaalsContact C-O 3.27Å; F442-W485 HydrophobicContact CB-CE3 4.27Å; F442-W485 WeakPolarHBondContact CB-O 3.31Å; F442-W485 HydrophobicContact CD1-CE3 4.16Å; F442-W485 HydrophobicContact CD1-CZ3 4.13Å; F442-W485 AromaticContact CD2-CE3 3.59Å; F442-W485 HydrophobicContact CD2-CE3 3.59Å; F442-W485 AromaticContact CD2-CZ3 3.67Å; F442-W485 HydrophobicContact CD2-CZ3 3.67Å; F442-W485 HydrophobicContact CE1-CE3 4.42Å; F442-W485 AromaticContact CE1-CZ3 3.92Å; F442-W485 HydrophobicContact CE1-CZ3 3.92Å; F442-W485 AromaticContact CE2-CE3 3.84Å; F442-W485 HydrophobicContact CE2-CE3 3.84Å; F442-W485 HydrophobicContact CE2-CH2 4.25Å; F442-W485 AromaticContact CE2-CZ3 3.38Å; F442-W485 HydrophobicContact CE2-CZ3 3.38Å; F442-W485 AromaticContact CG-CE3 3.76Å; F442-W485 HydrophobicContact CG-CE3 3.76Å; F442-W485 HydrophobicContact CG-CZ3 4.03Å; F442-W485 HydrophobicContact CZ-CE3 4.28Å; F442-W485 HydrophobicContact CZ-CH2 4.43Å; F442-W485 AromaticContact CZ-CZ3 3.55Å; F442-W485 HydrophobicContact CZ-CZ3 3.55Å
443	G	95.3	Very high	92	Very high	6 Å²	6	34.4 Å²	34.4	6%	0.062	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	139.9	176.1	0	0	0	0	0	111.8	V441 S455 A456 V487	V441-G443 WeakPolarHBondContact CG1-O 3.47Å; G443-S455 CarbonylContact O-C 3.58Å; G443-S455 VanDerWaalsContact O-CA 3.26Å; G443-S455 WeakPolarHBondContact O-CA 3.3Å; G443-A456 PolarHBondContact N-O 3.46Å; G443-A456 PolarHBondContact O-N 3.25Å; G443-V487 VanDerWaalsContact C-CG1 3.48Å
444	V	96.7	Very high	92.3	Very high	11 Å²	11	31.9 Å²	31.9	7%	0.067	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	135.6	169.6	178.3	0	0	0	0	107.6	S370 A379 I387 V441 I453 A454	S370-V444 WeakPolarHBondContact CB-O 3.49Å; A379-V444 HydrophobicContact CB-CG1 3.66Å; I387-V444 HydrophobicContact CD1-CG2 4.46Å; I387-V444 HydrophobicContact CG1-CG2 4.24Å; I387-V444 HydrophobicContact CG2-CG1 4.26Å; I387-V444 HydrophobicContact CG2-CG2 4.07Å; V441-V444 HydrophobicContact CG1-CG2 3.62Å; V444-I453 HydrophobicContact CG1-CG2 3.64Å; V444-A454 CarbonylContact C-O 3.6Å; V444-A454 WeakPolarHBondContact CA-O 3.29Å
445	A	96.4	Very high	92.6	Very high	11 Å²	11	31.7 Å²	31.7	9%	0.091	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	137.7	176.9	0	0	0	0	0	111.2	I453 A454 V487 W489	A445-I453 WeakPolarHBondContact O-CA 3.33Å; A445-A454 PolarHBondContact N-O 2.84Å; A445-A454 PolarHBondContact O-N 3.24Å; A445-V487 HydrophobicContact CB-CG1 4.22Å; A445-W489 PolarHBondContact O-NE1 2.96Å
446	F	95.1	Very high	92.8	Very high	15 Å²	15	25.9 Å²	25.9	7%	0.066	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	146.1	173.2	-74.8	-83.2	0	0	0	111.5	S370 Q377 A379 V389 I453 T467	S370-F446 WeakPolarHBondContact O-CE2 3.3Å; Q377-F446 HydrophobicContact CB-CE1 4.21Å; Q377-F446 HydrophobicContact CB-CZ 3.83Å; Q377-F446 VanDerWaalsContact OE1-CE1 3.24Å; A379-F446 HydrophobicContact CB-CD2 4.48Å; A379-F446 HydrophobicContact CB-CE2 3.47Å; A379-F446 VanDerWaalsContact CB-CE2 3.47Å; A379-F446 HydrophobicContact CB-CZ 3.55Å; V389-F446 HydrophobicContact CG1-CZ 4.19Å; F446-I453 HydrophobicContact CD1-CD1 4.16Å; F446-I453 HydrophobicContact CD1-CG1 3.59Å; F446-I453 HydrophobicContact CE1-CD1 3.57Å; F446-I453 HydrophobicContact CE1-CG1 3.55Å; F446-I453 HydrophobicContact CG-CG1 4.42Å; F446-I453 HydrophobicContact CZ-CD1 4.13Å; F446-I453 HydrophobicContact CZ-CG1 4.36Å; F446-T467 HydrophobicContact CE1-CG2 4.43Å
447	S	93.3	Very high	93.1	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.021	13%	0.129	C	C	.	.			trans	-66.2	151	162.7	61.2	0	0	0	0	110.1	D449 R450 Q451 L452	S447-D449 WeakPolarHBondContact CB-OD1 3.41Å; S447-D449 PolarHBondContact O-N 2.83Å; S447-D449 VanDerWaalsContact O-N 3.1Å; S447-D449 PolarHBondContact OG-OD1 3.06Å; S447-R450 PolarHBondContact O-N 2.81Å; S447-Q451 PolarHBondContact OG-N 2.99Å; S447-L452 PolarHBondContact N-O 2.88Å; S447-L452 PolarHBondContact OG-N 3.33Å; S447-L452 PolarHBondContact OG-O 3.27Å; S447-L452 VanDerWaalsContact OG-O 3.13Å
448	P	88.9	Confident	93.2	Very high	22 Å²	22	25.8 Å²	25.8	14%	0.143	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-27.6	179.1	-26.3	35	0	0	0	113.7	Y312 A490	Y312-P448 HydrophobicContact CE2-CB 4.06Å; Y312-P448 VanDerWaalsContact CE2-O 3.32Å; Y312-P448 WeakPolarHBondContact CE2-O 3.07Å; Y312-P448 WeakPolarHBondContact OH-CB 3.45Å; P448-A490 WeakPolarHBondContact CG-O 3.29Å
449	D	85.7	Confident	93.4	Very high	54 Å²	54	21 Å²	21	29%	0.289	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	5.5	177.4	71.1	-14.7	0	0	0	114.5	R309 Y312 S447 Q451	R309-D449 IonicContact NH1-OD2 3.32Å; Y312-D449 HydrophobicContact CD2-CB 4.28Å; S447-D449 WeakPolarHBondContact CB-OD1 3.41Å; S447-D449 PolarHBondContact O-N 2.83Å; S447-D449 VanDerWaalsContact O-N 3.1Å; S447-D449 PolarHBondContact OG-OD1 3.06Å; D449-Q451 HydrophobicContact CB-CG 4.47Å; D449-Q451 WeakPolarHBondContact O-CG 3.34Å; D449-Q451 PolarHBondContact O-N 3.26Å; D449-Q451 PolarHBondContact OD1-N 3.24Å
450	R	87.1	Confident	93.6	Very high	50 Å²	50	20.8 Å²	20.8	19%	0.189	11%	0.113	C	C	.	.	S	Bend	trans	64	-3.1	-179.2	176.7	-177.8	171.4	-156	5.9	115.3	D374 S376 Q377 E395 S447 T467	D374-R450 WeakPolarHBondContact OD2-CD 3.42Å; D374-R450 IonicContact OD2-NH1 2.79Å; S376-R450 WeakPolarHBondContact OG-CD 3.47Å; S376-R450 PolarHBondContact OG-NE 3.3Å; S376-R450 VanDerWaalsContact OG-NE 3.08Å; S376-R450 PolarHBondContact OG-NH1 3.48Å; S376-R450 PolarHBondContact OG-NH2 2.85Å; Q377-R450 VanDerWaalsContact NE2-CZ 3.35Å; E395-R450 IonicContact OE2-CZ 3.19Å; E395-R450 IonicContact OE2-NH1 3.71Å; E395-R450 PolarHBondContact OE2-NH1 3.08Å; E395-R450 IonicContact OE2-NH2 2.75Å; E395-R450 PolarHBondContact OE2-NH2 3.37Å; S447-R450 PolarHBondContact O-N 2.81Å; R450-T467 WeakPolarHBondContact O-CG2 3.38Å; R450-T467 PolarHBondContact O-OG1 3.28Å
451	Q	88.9	Confident	93.8	Very high	62 Å²	62	20.6 Å²	20.6	29%	0.29	11%	0.111	S	C	.	.	S	Bend	trans	-80.2	-21.5	-173.3	-60.8	-162.5	-10.1	0	0	114.2	R309 S447 D449 T467	R309-Q451 VanDerWaalsContact NH1-NE2 3.16Å; S447-Q451 PolarHBondContact OG-N 2.99Å; D449-Q451 HydrophobicContact CB-CG 4.47Å; D449-Q451 WeakPolarHBondContact O-CG 3.34Å; D449-Q451 PolarHBondContact O-N 3.26Å; D449-Q451 PolarHBondContact OD1-N 3.24Å; Q451-T467 VanDerWaalsContact CA-OG1 3.22Å; Q451-T467 WeakPolarHBondContact CA-OG1 3.1Å; Q451-T467 PolarHBondContact O-N 3.16Å; Q451-T467 PolarHBondContact O-OG1 3.38Å; Q451-T467 VanDerWaalsContact O-OG1 3.06Å
452	L	93.7	Very high	93.9	Very high	37 Å²	37	20.6 Å²	20.6	19%	0.194	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	148.4	-174.9	-59.2	171.4	0	0	0	110.9	S447 L464 W465 L474 W489	S447-L452 PolarHBondContact N-O 2.88Å; S447-L452 PolarHBondContact OG-N 3.33Å; S447-L452 PolarHBondContact OG-O 3.27Å; S447-L452 VanDerWaalsContact OG-O 3.13Å; L452-L464 HydrophobicContact CB-CD1 4.06Å; L452-L464 HydrophobicContact CD1-CD1 4.36Å; L452-L464 HydrophobicContact CD1-CD2 4.32Å; L452-L464 HydrophobicContact CD2-CD2 4.42Å; L452-L464 HydrophobicContact CD2-CG 4.36Å; L452-W465 CarbonylContact C-O 3.59Å; L452-W465 VanDerWaalsContact CA-O 3.23Å; L452-W465 WeakPolarHBondContact CA-O 3.41Å; L452-L474 HydrophobicContact CD2-CD1 3.58Å; L452-W489 HydrophobicContact CB-CH2 3.83Å; L452-W489 HydrophobicContact CB-CZ2 3.81Å; L452-W489 HydrophobicContact CD1-CH2 3.82Å; L452-W489 HydrophobicContact CG-CH2 4.49Å
453	I	95.9	Very high	94	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	134.6	170.1	-64.8	167	0	0	0	107.2	V389 L434 V444 A445 F446 L464 W465 T467	V389-I453 HydrophobicContact CG2-CD1 3.59Å; L434-I453 HydrophobicContact CD1-CD1 4.01Å; V444-I453 HydrophobicContact CG1-CG2 3.64Å; A445-I453 WeakPolarHBondContact O-CA 3.33Å; F446-I453 HydrophobicContact CD1-CD1 4.16Å; F446-I453 HydrophobicContact CD1-CG1 3.59Å; F446-I453 HydrophobicContact CE1-CD1 3.57Å; F446-I453 HydrophobicContact CE1-CG1 3.55Å; F446-I453 HydrophobicContact CG-CG1 4.42Å; F446-I453 HydrophobicContact CZ-CD1 4.13Å; F446-I453 HydrophobicContact CZ-CG1 4.36Å; I453-L464 CarbonylContact O-C 3.59Å; I453-L464 WeakPolarHBondContact O-CA 3.38Å; I453-W465 HydrophobicContact CB-CB 4.26Å; I453-W465 PolarHBondContact N-O 3.11Å; I453-W465 PolarHBondContact O-N 2.89Å; I453-T467 HydrophobicContact CD1-CG2 3.6Å; I453-T467 HydrophobicContact CG1-CG2 3.72Å
454	A	96.5	Very high	94	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	140.4	168.1	0	0	0	0	0	109.1	V444 A445 R463 V487 W489 I497	V444-A454 CarbonylContact C-O 3.6Å; V444-A454 WeakPolarHBondContact CA-O 3.29Å; A445-A454 PolarHBondContact N-O 2.84Å; A445-A454 PolarHBondContact O-N 3.24Å; A454-R463 CarbonylContact C-O 3.58Å; A454-R463 WeakPolarHBondContact CA-O 3.38Å; A454-V487 HydrophobicContact CB-CG2 3.67Å; A454-W489 HydrophobicContact CB-CZ2 4.01Å; A454-I497 HydrophobicContact CB-CD1 4.11Å; A454-I497 HydrophobicContact CB-CG2 4.3Å
455	S	97.1	Very high	93.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	144.4	177.3	62.6	0	0	0	0	112.5	I387 H437 G443 V462 R463 W465	I387-S455 WeakPolarHBondContact CD1-OG 3.05Å; H437-S455 PolarHBondContact NE2-OG 3.47Å; G443-S455 CarbonylContact O-C 3.58Å; G443-S455 VanDerWaalsContact O-CA 3.26Å; G443-S455 WeakPolarHBondContact O-CA 3.3Å; S455-V462 CarbonylContact O-C 3.59Å; S455-V462 WeakPolarHBondContact O-CA 3.13Å; S455-V462 WeakPolarHBondContact O-CG1 3.32Å; S455-R463 PolarHBondContact N-O 2.99Å; S455-R463 PolarHBondContact O-N 3.16Å; S455-W465 PolarHBondContact OG-NE1 2.58Å
456	A	96.8	Very high	93.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	135.7	179	0	0	0	0	0	109.9	V441 F442 G443 V484 V487	V441-A456 CarbonylContact C-O 3.53Å; V441-A456 WeakPolarHBondContact CA-O 3.37Å; V441-A456 WeakPolarHBondContact CG1-O 3.27Å; F442-A456 PolarHBondContact N-O 2.84Å; G443-A456 PolarHBondContact N-O 3.46Å; G443-A456 PolarHBondContact O-N 3.25Å; A456-V484 HydrophobicContact CB-CB 3.83Å; A456-V484 HydrophobicContact CB-CG1 3.52Å; A456-V487 HydrophobicContact CB-CB 4Å; A456-V487 HydrophobicContact CB-CG1 4.17Å
457	S	96.2	Very high	93.5	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	160.6	-171.2	172.8	0	0	0	0	113.3	H437 G439 S440 D459 G460 T461 V484	H437-S457 WeakPolarHBondContact CE1-CB 3.38Å; H437-S457 WeakPolarHBondContact ND1-CB 3.45Å; H437-S457 PolarHBondContact ND1-OG 3.48Å; G439-S457 PolarHBondContact O-OG 3.41Å; S440-S457 CarbonylContact O-C 3.6Å; S440-S457 VanDerWaalsContact O-CA 3.31Å; S440-S457 WeakPolarHBondContact O-CA 3.34Å; S440-S457 PolarHBondContact O-OG 3.28Å; S457-D459 VanDerWaalsContact CB-OD1 3.27Å; S457-D459 WeakPolarHBondContact CB-OD1 3.27Å; S457-D459 PolarHBondContact O-N 3.24Å; S457-D459 PolarHBondContact OG-N 2.97Å; S457-D459 PolarHBondContact OG-OD1 3.08Å; S457-D459 PolarHBondContact OG-OD2 2.79Å; S457-G460 PolarHBondContact O-N 3.01Å; S457-T461 PolarHBondContact N-O 2.77Å; S457-V484 PolarHBondContact O-N 2.8Å
458	S	94.6	Very high	93.2	Very high	40 Å²	40	21.2 Å²	21.2	28%	0.28	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-14.3	171.8	85	0	0	0	0	113.5	G439 S440 F442 G460	G439-S458 VanDerWaalsContact CA-OG 3.31Å; G439-S458 WeakPolarHBondContact CA-OG 3.42Å; S440-S458 PolarHBondContact N-OG 2.87Å; S440-S458 VanDerWaalsContact N-OG 3.09Å; S440-S458 PolarHBondContact O-N 2.87Å; F442-S458 VanDerWaalsContact CE2-CB 3.48Å; S458-G460 PolarHBondContact O-N 3.3Å
459	D	93.9	Very high	93.1	Very high	45 Å²	45	23.7 Å²	23.7	24%	0.241	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	1.9	175.5	65.5	17.2	0	0	0	113.7	H437 L438 S457 T461	H437-D459 WeakPolarHBondContact CA-OD2 3.35Å; H437-D459 IonicContact CG-OD2 3.6Å; H437-D459 IonicContact ND1-OD1 3.41Å; H437-D459 PolarHBondContact ND1-OD1 2.9Å; H437-D459 IonicContact ND1-OD2 3.61Å; H437-D459 PolarHBondContact ND1-OD2 3.09Å; L438-D459 HydrophobicContact CB-CB 4.19Å; L438-D459 PolarHBondContact N-OD2 3.15Å; S457-D459 VanDerWaalsContact CB-OD1 3.27Å; S457-D459 WeakPolarHBondContact CB-OD1 3.27Å; S457-D459 PolarHBondContact O-N 3.24Å; S457-D459 PolarHBondContact OG-N 2.97Å; S457-D459 PolarHBondContact OG-OD1 3.08Å; S457-D459 PolarHBondContact OG-OD2 2.79Å; D459-T461 VanDerWaalsContact CG-OG1 3.25Å; D459-T461 PolarHBondContact O-N 2.84Å; D459-T461 WeakPolarHBondContact OD1-CA 3.28Å; D459-T461 VanDerWaalsContact OD1-CB 3.28Å; D459-T461 WeakPolarHBondContact OD1-CB 3.28Å; D459-T461 PolarHBondContact OD1-N 3.24Å; D459-T461 PolarHBondContact OD1-OG1 3.41Å; D459-T461 PolarHBondContact OD2-OG1 2.8Å
460	G	93.8	Very high	93.2	Very high	6 Å²	6	22.4 Å²	22.4	6%	0.062	11%	0.114	C	C	.	.	S	Bend	trans	78	3.7	-178.4	0	0	0	0	0	113.6	S457 S458	S457-G460 PolarHBondContact O-N 3.01Å; S458-G460 PolarHBondContact O-N 3.3Å
461	T	95.4	Very high	92.5	Very high	13 Å²	13	22.6 Å²	22.6	8%	0.08	13%	0.132	C	C	.	.			trans	-103	144.3	-178.8	74.3	0	0	0	0	112.1	H437 S457 D459 R463 W477 R478	H437-T461 PolarHBondContact CE1-O 2.81Å; H437-T461 PolarHBondContact CE1-OG1 3.21Å; H437-T461 PolarHBondContact ND1-OG1 2.81Å; S457-T461 PolarHBondContact N-O 2.77Å; D459-T461 VanDerWaalsContact CG-OG1 3.25Å; D459-T461 PolarHBondContact O-N 2.84Å; D459-T461 WeakPolarHBondContact OD1-CA 3.28Å; D459-T461 VanDerWaalsContact OD1-CB 3.28Å; D459-T461 WeakPolarHBondContact OD1-CB 3.28Å; D459-T461 PolarHBondContact OD1-N 3.24Å; D459-T461 PolarHBondContact OD1-OG1 3.41Å; D459-T461 PolarHBondContact OD2-OG1 2.8Å; T461-R463 PolarHBondContact OG1-NE 3.04Å; T461-W477 WeakPolarHBondContact CA-O 3.49Å; T461-R478 HydrophobicContact CG2-CG 4.1Å
462	V	96.3	Very high	92.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	129.6	166.8	-176.8	0	0	0	0	106.5	S455 A476 W477 V484 V487 T499 Y509	S455-V462 CarbonylContact O-C 3.59Å; S455-V462 WeakPolarHBondContact O-CA 3.13Å; S455-V462 WeakPolarHBondContact O-CG1 3.32Å; V462-A476 CarbonylContact O-C 3.59Å; V462-A476 VanDerWaalsContact O-CA 3.29Å; V462-A476 WeakPolarHBondContact O-CA 3.44Å; V462-W477 HydrophobicContact CB-CB 4.28Å; V462-W477 HydrophobicContact CB-CE3 3.97Å; V462-W477 HydrophobicContact CG1-CE3 3.76Å; V462-W477 HydrophobicContact CG1-CZ3 4.17Å; V462-W477 PolarHBondContact N-O 3.15Å; V462-W477 PolarHBondContact O-N 2.91Å; V462-V484 HydrophobicContact CG2-CG1 4.11Å; V462-V484 HydrophobicContact CG2-CG2 4.19Å; V462-V487 HydrophobicContact CG1-CG2 4.47Å; V462-T499 HydrophobicContact CB-CG2 4.48Å; V462-T499 HydrophobicContact CG1-CG2 3.97Å; V462-T499 HydrophobicContact CG2-CG2 3.73Å; V462-Y509 HydrophobicContact CG2-CE2 4.38Å
463	R	95.7	Very high	92.2	Very high	37 Å²	37	21.3 Å²	21.3	14%	0.14	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	144	-176.4	-66.4	-176.6	-176	-154.3	10.1	111.6	G436 A454 S455 T461 W465 A473 T475 A476	G436-R463 VanDerWaalsContact CA-NH1 3.26Å; G436-R463 PolarHBondContact O-NH1 3.14Å; G436-R463 PolarHBondContact O-NH2 2.89Å; A454-R463 CarbonylContact C-O 3.58Å; A454-R463 WeakPolarHBondContact CA-O 3.38Å; S455-R463 PolarHBondContact N-O 2.99Å; S455-R463 PolarHBondContact O-N 3.16Å; T461-R463 PolarHBondContact OG1-NE 3.04Å; R463-W465 HydrophobicContact CB-CZ2 3.83Å; R463-W465 HydrophobicContact CG-CZ2 4.38Å; R463-A473 HydrophobicContact CB-CB 4.24Å; R463-A473 HydrophobicContact CG-CB 4.45Å; R463-T475 WeakPolarHBondContact CA-O 3.47Å; R463-A476 HydrophobicContact CG-CB 4.07Å
464	L	95.5	Very high	92	Very high	9 Å²	9	25.6 Å²	25.6	5%	0.047	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	133.4	173.1	-167.5	68.2	0	0	0	109.6	L452 I453 A473 L474 T475 W477 W489 I497 T511	L452-L464 HydrophobicContact CB-CD1 4.06Å; L452-L464 HydrophobicContact CD1-CD1 4.36Å; L452-L464 HydrophobicContact CD1-CD2 4.32Å; L452-L464 HydrophobicContact CD2-CD2 4.42Å; L452-L464 HydrophobicContact CD2-CG 4.36Å; I453-L464 CarbonylContact O-C 3.59Å; I453-L464 WeakPolarHBondContact O-CA 3.38Å; L464-A473 CarbonylContact O-C 3.58Å; L464-A473 WeakPolarHBondContact O-CA 3.27Å; L464-L474 HydrophobicContact CB-CB 4.48Å; L464-L474 HydrophobicContact CD2-CD1 4.17Å; L464-L474 HydrophobicContact CG-CD1 4.31Å; L464-L474 PolarHBondContact O-N 3.1Å; L464-T475 HydrophobicContact CB-CG2 3.55Å; L464-T475 HydrophobicContact CD2-CG2 3.95Å; L464-T475 HydrophobicContact CG-CG2 4.42Å; L464-T475 PolarHBondContact N-O 3.37Å; L464-W477 HydrophobicContact CB-CH2 3.79Å; L464-W477 HydrophobicContact CB-CZ3 3.79Å; L464-W477 HydrophobicContact CD1-CH2 4.28Å; L464-W477 HydrophobicContact CD2-CH2 4.17Å; L464-W477 HydrophobicContact CG-CH2 4.31Å; L464-W489 HydrophobicContact CD1-CH2 3.66Å; L464-W489 HydrophobicContact CD1-CZ2 3.5Å; L464-I497 HydrophobicContact CD1-CD1 4.1Å; L464-T511 HydrophobicContact CD2-CG2 4.36Å
465	W	95.2	Very high	91.8	Very high	1 Å²	1	27.1 Å²	27.1	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	147.5	-178.7	-46.1	86.4	0	0	0	109.8	I387 L434 L452 I453 S455 R463 A473	I387-W465 HydrophobicContact CD1-CZ2 4.13Å; L434-W465 HydrophobicContact CB-CD2 4.04Å; L434-W465 HydrophobicContact CB-CE3 3.83Å; L434-W465 HydrophobicContact CB-CH2 4.38Å; L434-W465 HydrophobicContact CB-CZ3 4Å; L434-W465 HydrophobicContact CD1-CB 3.81Å; L434-W465 HydrophobicContact CD1-CD2 4.04Å; L434-W465 HydrophobicContact CD1-CE3 4.44Å; L434-W465 HydrophobicContact CD1-CG 3.74Å; L434-W465 HydrophobicContact CD2-CB 4.25Å; L434-W465 HydrophobicContact CD2-CD2 4.37Å; L434-W465 HydrophobicContact CD2-CE3 3.98Å; L434-W465 HydrophobicContact CG-CD2 4.39Å; L434-W465 HydrophobicContact CG-CE3 4.31Å; L452-W465 CarbonylContact C-O 3.59Å; L452-W465 VanDerWaalsContact CA-O 3.23Å; L452-W465 WeakPolarHBondContact CA-O 3.41Å; I453-W465 HydrophobicContact CB-CB 4.26Å; I453-W465 PolarHBondContact N-O 3.11Å; I453-W465 PolarHBondContact O-N 2.89Å; S455-W465 PolarHBondContact OG-NE1 2.58Å; R463-W465 HydrophobicContact CB-CZ2 3.83Å; R463-W465 HydrophobicContact CG-CZ2 4.38Å; W465-A473 HydrophobicContact CD2-CB 4.21Å; W465-A473 HydrophobicContact CE3-CB 3.87Å; W465-A473 HydrophobicContact CH2-CB 4.01Å; W465-A473 HydrophobicContact CZ2-CB 4.32Å; W465-A473 HydrophobicContact CZ3-CB 3.77Å
466	S	93.7	Very high	91.6	Very high	11 Å²	11	28.1 Å²	28.1	8%	0.077	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	131.3	171.4	179	0	0	0	0	110.4	L468 I469 W470	S466-L468 PolarHBondContact O-N 3.29Å; S466-L468 PolarHBondContact OG-N 3.34Å; S466-L468 VanDerWaalsContact OG-N 3.15Å; S466-I469 PolarHBondContact OG-N 3.09Å; S466-W470 PolarHBondContact O-N 2.85Å
467	T	89.8	Confident	91.5	Very high	10 Å²	10	28.1 Å²	28.1	6%	0.061	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	4.1	171.4	60.9	0	0	0	0	113.2	F446 R450 Q451 I453 W470	F446-T467 HydrophobicContact CE1-CG2 4.43Å; R450-T467 WeakPolarHBondContact O-CG2 3.38Å; R450-T467 PolarHBondContact O-OG1 3.28Å; Q451-T467 VanDerWaalsContact CA-OG1 3.22Å; Q451-T467 WeakPolarHBondContact CA-OG1 3.1Å; Q451-T467 PolarHBondContact O-N 3.16Å; Q451-T467 PolarHBondContact O-OG1 3.38Å; Q451-T467 VanDerWaalsContact O-OG1 3.06Å; I453-T467 HydrophobicContact CD1-CG2 3.6Å; I453-T467 HydrophobicContact CG1-CG2 3.72Å; T467-W470 HydrophobicContact CG2-CH2 4.08Å; T467-W470 HydrophobicContact CG2-CZ2 4.46Å; T467-W470 WeakPolarHBondContact O-CZ2 3.18Å; T467-W470 PolarHBondContact O-NE1 3.03Å
468	L	87.6	Confident	91.4	Very high	49 Å²	49	36.7 Å²	36.7	26%	0.257	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-45	175.3	-61.1	174.6	0	0	0	111.5	R399 M400 L421 S466	R399-L468 CarbonylContact C-O 3.53Å; R399-L468 WeakPolarHBondContact CA-O 3.47Å; M400-L468 HydrophobicContact CE-CB 4.2Å; M400-L468 HydrophobicContact CE-CD1 4.15Å; M400-L468 PolarHBondContact N-O 3Å; L421-L468 HydrophobicContact CD2-CD2 4.25Å; S466-L468 PolarHBondContact O-N 3.29Å; S466-L468 PolarHBondContact OG-N 3.34Å; S466-L468 VanDerWaalsContact OG-N 3.15Å
469	I	86.9	Confident	91.2	Very high	74 Å²	74	37.3 Å²	37.3	38%	0.379	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-36.8	-173.3	-58.4	170	0	0	0	111.5	R399 S466 G471 L474	R399-I469 WeakPolarHBondContact CG-O 3.46Å; R399-I469 PolarHBondContact NE-O 2.87Å; S466-I469 PolarHBondContact OG-N 3.09Å; I469-G471 PolarHBondContact O-N 3.42Å; I469-L474 HydrophobicContact CD1-CD2 4.24Å
470	W	85.8	Confident	91.1	Very high	26 Å²	26	35.5 Å²	35.5	10%	0.098	20%	0.203	C	C	.	.			trans	51.9	12	-174	-56	106.1	0	0	0	115.4	V389 L397 R398 R432 L434 S466 T467	V389-W470 HydrophobicContact CB-CH2 4.13Å; V389-W470 HydrophobicContact CB-CZ3 4.29Å; V389-W470 HydrophobicContact CG1-CH2 4.13Å; V389-W470 HydrophobicContact CG2-CH2 4.19Å; V389-W470 HydrophobicContact CG2-CZ3 4.04Å; L397-W470 HydrophobicContact CB-CZ2 4.18Å; L397-W470 HydrophobicContact CD2-CZ2 4.4Å; R398-W470 PolarHBondContact O-NE1 3.42Å; R398-W470 VanDerWaalsContact O-NE1 3.12Å; R432-W470 HydrophobicContact CB-CD2 4.1Å; R432-W470 HydrophobicContact CB-CE3 3.75Å; R432-W470 HydrophobicContact CB-CH2 4.22Å; R432-W470 HydrophobicContact CB-CZ3 3.83Å; R432-W470 HydrophobicContact CG-CD2 4.04Å; R432-W470 HydrophobicContact CG-CE3 4.22Å; R432-W470 HydrophobicContact CG-CG 4.49Å; R432-W470 HydrophobicContact CG-CZ2 4.42Å; L434-W470 HydrophobicContact CD1-CZ3 4.48Å; L434-W470 HydrophobicContact CD2-CE3 3.61Å; L434-W470 HydrophobicContact CD2-CZ3 3.89Å; L434-W470 HydrophobicContact CG-CE3 4.42Å; L434-W470 HydrophobicContact CG-CZ3 4.27Å; S466-W470 PolarHBondContact O-N 2.85Å; T467-W470 HydrophobicContact CG2-CH2 4.08Å; T467-W470 HydrophobicContact CG2-CZ2 4.46Å; T467-W470 WeakPolarHBondContact O-CZ2 3.18Å; T467-W470 PolarHBondContact O-NE1 3.03Å
471	G	74.3	Confident	90.9	Very high	55 Å²	55	42.7 Å²	42.7	57%	0.567	24%	0.239	S	C	*	.	S	Bend	trans	-93.1	8.6	-169	0	0	0	0	0	115.5	I469	I469-G471 PolarHBondContact O-N 3.42Å
472	G	84.4	Confident	90.8	Very high	32 Å²	32	46.2 Å²	46.2	33%	0.33	26%	0.257	S	S	.	.	S	Bend	trans	133.2	-177	-177.6	0	0	0	0	0	113.2
473	A	90.4	Very high	90.8	Very high	39 Å²	39	48.1 Å²	48.1	32%	0.322	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	130.9	174.9	0	0	0	0	0	109.9	R463 L464 W465	R463-A473 HydrophobicContact CB-CB 4.24Å; R463-A473 HydrophobicContact CG-CB 4.45Å; L464-A473 CarbonylContact O-C 3.58Å; L464-A473 WeakPolarHBondContact O-CA 3.27Å; W465-A473 HydrophobicContact CD2-CB 4.21Å; W465-A473 HydrophobicContact CE3-CB 3.87Å; W465-A473 HydrophobicContact CH2-CB 4.01Å; W465-A473 HydrophobicContact CZ2-CB 4.32Å; W465-A473 HydrophobicContact CZ3-CB 3.77Å
474	L	92	Very high	90.8	Very high	90 Å²	90	46.3 Å²	46.3	47%	0.471	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	-44.9	175	-64.2	177.1	0	0	0	111.3	L452 L464 I469	L452-L474 HydrophobicContact CD2-CD1 3.58Å; L464-L474 HydrophobicContact CB-CB 4.48Å; L464-L474 HydrophobicContact CD2-CD1 4.17Å; L464-L474 HydrophobicContact CG-CD1 4.31Å; L464-L474 PolarHBondContact O-N 3.1Å; I469-L474 HydrophobicContact CD1-CD2 4.24Å
475	T	92.8	Very high	90.9	Very high	32 Å²	32	49.4 Å²	49.4	20%	0.196	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	159.6	178.8	-174.9	0	0	0	0	110.5	R463 L464 W477 A514	R463-T475 WeakPolarHBondContact CA-O 3.47Å; L464-T475 HydrophobicContact CB-CG2 3.55Å; L464-T475 HydrophobicContact CD2-CG2 3.95Å; L464-T475 HydrophobicContact CG-CG2 4.42Å; L464-T475 PolarHBondContact N-O 3.37Å; T475-W477 HydrophobicContact CG2-CE3 4.41Å; T475-W477 HydrophobicContact CG2-CH2 3.61Å; T475-W477 HydrophobicContact CG2-CZ2 3.72Å; T475-W477 HydrophobicContact CG2-CZ3 3.99Å; T475-A514 HydrophobicContact CG2-CB 4.37Å; T475-A514 WeakPolarHBondContact OG1-CB 3.38Å
476	A	92.9	Very high	90.9	Very high	21 Å²	21	50.2 Å²	50.2	17%	0.174	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	119.9	174.7	0	0	0	0	0	109.7	V462 R463	V462-A476 CarbonylContact O-C 3.59Å; V462-A476 VanDerWaalsContact O-CA 3.29Å; V462-A476 WeakPolarHBondContact O-CA 3.44Å; R463-A476 HydrophobicContact CG-CB 4.07Å
477	W	94.7	Very high	91	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	135.9	170.4	-58.2	-90.6	0	0	0	109.5	T461 V462 L464 T475 I497 Y509 P515	T461-W477 WeakPolarHBondContact CA-O 3.49Å; V462-W477 HydrophobicContact CB-CB 4.28Å; V462-W477 HydrophobicContact CB-CE3 3.97Å; V462-W477 HydrophobicContact CG1-CE3 3.76Å; V462-W477 HydrophobicContact CG1-CZ3 4.17Å; V462-W477 PolarHBondContact N-O 3.15Å; V462-W477 PolarHBondContact O-N 2.91Å; L464-W477 HydrophobicContact CB-CH2 3.79Å; L464-W477 HydrophobicContact CB-CZ3 3.79Å; L464-W477 HydrophobicContact CD1-CH2 4.28Å; L464-W477 HydrophobicContact CD2-CH2 4.17Å; L464-W477 HydrophobicContact CG-CH2 4.31Å; T475-W477 HydrophobicContact CG2-CE3 4.41Å; T475-W477 HydrophobicContact CG2-CH2 3.61Å; T475-W477 HydrophobicContact CG2-CZ2 3.72Å; T475-W477 HydrophobicContact CG2-CZ3 3.99Å; W477-I497 HydrophobicContact CH2-CD1 3.73Å; W477-I497 HydrophobicContact CZ3-CD1 4.16Å; W477-Y509 HydrophobicContact CB-CD1 4.19Å; W477-Y509 HydrophobicContact CB-CE1 3.71Å; W477-Y509 AromaticContact CD1-CD1 3.24Å; W477-Y509 AromaticContact CD1-CE1 3.53Å; W477-Y509 AromaticContact CD1-CG 4Å; W477-Y509 HydrophobicContact CD2-CD1 4.21Å; W477-Y509 HydrophobicContact CD2-CG 4.28Å; W477-Y509 AromaticContact CG-CD1 3.66Å; W477-Y509 HydrophobicContact CG-CD1 3.66Å; W477-Y509 AromaticContact CG-CE1 3.71Å; W477-Y509 HydrophobicContact CG-CE1 3.71Å; W477-Y509 HydrophobicContact CG-CG 4.17Å; W477-Y509 AromaticContact NE1-CD1 3.62Å; W477-P515 VanDerWaalsContact CD1-O 3.22Å
478	R	93.4	Very high	91.4	Very high	181 Å²	181	51.3 Å²	51.3	68%	0.683	29%	0.285	S	S	*	.			trans	-129	32.6	-174	-60.7	-168.3	176.4	95.9	-3.6	112.9	T461	T461-R478 HydrophobicContact CG2-CG 4.1Å
479	D	90.3	Very high	91.7	Very high	52 Å²	52	49.7 Å²	49.7	28%	0.278	28%	0.276	S	S	.	.			trans	-80.2	-32.3	-179.9	-62.7	-36.7	0	0	0	112.8	L481 Y509 A517	D479-L481 PolarHBondContact O-N 3.47Å; D479-Y509 VanDerWaalsContact OD2-CE1 3.25Å; D479-Y509 WeakPolarHBondContact OD2-CE1 3.3Å; D479-A517 VanDerWaalsContact OD2-CB 3.3Å; D479-A517 WeakPolarHBondContact OD2-CB 3.46Å; D479-A517 PolarHBondContact OD2-N 2.94Å
480	H	91.4	Very high	92	Very high	7 Å²	7	46.1 Å²	46.1	3%	0.032	26%	0.258	C	S	.	.			trans	-71.3	118.6	177	-78.1	-72.9	0	0	0	110.6	L482 V484 T499 D503 H507	H480-L482 VanDerWaalsContact C-N 3.3Å; H480-V484 HydrophobicContact CB-CG2 3.53Å; H480-T499 PolarHBondContact NE2-OG1 2.95Å; H480-D503 IonicContact CE1-OD1 2.65Å; H480-D503 IonicContact CE1-OD2 3.66Å; H480-D503 IonicContact CG-OD2 3.75Å; H480-D503 IonicContact ND1-OD1 3.46Å; H480-D503 PolarHBondContact ND1-OD1 3.1Å; H480-D503 IonicContact ND1-OD2 2.98Å; H480-D503 PolarHBondContact ND1-OD2 2.85Å; H480-H507 AromaticContact CD2-ND1 3.96Å; H480-H507 AromaticContact CE1-CE1 3.63Å; H480-H507 AromaticContact CE1-ND1 3.05Å; H480-H507 PolarHBondContact CE1-ND1 2.79Å; H480-H507 AromaticContact ND1-CE1 3.66Å; H480-H507 AromaticContact ND1-ND1 3.55Å; H480-H507 AromaticContact NE2-CG 3.89Å; H480-H507 AromaticContact NE2-ND1 3.32Å; H480-H507 PolarHBondContact NE2-ND1 2.88Å
481	L	89.8	Confident	92.1	Very high	158 Å²	158	46.9 Å²	46.9	83%	0.827	27%	0.266	S	S	*	.	S	Bend	trans	-78.5	-17.1	178.1	-63.1	173.9	0	0	0	113.1	D479	D479-L481 PolarHBondContact O-N 3.47Å
482	L	94.2	Very high	92.3	Very high	87 Å²	87	45.8 Å²	45.8	46%	0.455	25%	0.248	S	C	.	.	S	Bend	trans	-127.8	169	-175.4	-69.3	-178.9	0	0	0	110	H480 V484 A502 D503	H480-L482 VanDerWaalsContact C-N 3.3Å; L482-V484 PolarHBondContact O-N 3.04Å; L482-A502 HydrophobicContact CB-CB 3.85Å; L482-A502 HydrophobicContact CD1-CB 4.4Å; L482-D503 HydrophobicContact CB-CB 4.3Å; L482-D503 HydrophobicContact CD1-CB 4.34Å
483	P	95.3	Very high	92.2	Very high	39 Å²	39	45.2 Å²	45.2	25%	0.253	24%	0.236	S	C	.	.			trans	-46.5	135.8	179.3	-34.8	39.3	0	0	0	114.2	W485 G501 A502	P483-W485 HydrophobicContact CB-CH2 4.39Å; P483-W485 HydrophobicContact CB-CZ2 4.3Å; P483-G501 CarbonylContact O-C 3.54Å; P483-G501 WeakPolarHBondContact O-CA 3.38Å; P483-A502 HydrophobicContact CB-CB 4.39Å; P483-A502 PolarHBondContact O-N 3.34Å
484	V	97.2	Very high	91.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	119.5	175.2	-167.8	0	0	0	0	108.7	A456 S457 V462 H480 L482 T499 G500	A456-V484 HydrophobicContact CB-CB 3.83Å; A456-V484 HydrophobicContact CB-CG1 3.52Å; S457-V484 PolarHBondContact O-N 2.8Å; V462-V484 HydrophobicContact CG2-CG1 4.11Å; V462-V484 HydrophobicContact CG2-CG2 4.19Å; H480-V484 HydrophobicContact CB-CG2 3.53Å; L482-V484 PolarHBondContact O-N 3.04Å; V484-T499 HydrophobicContact CG1-CG2 4.49Å; V484-G500 WeakPolarHBondContact CG1-O 3.42Å
485	W	96.5	Very high	91.9	Very high	74 Å²	74	41.1 Å²	41.1	28%	0.28	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-37	-173.3	-63	123	0	0	0	112.9	F442 P483 G500 A502 D527	F442-W485 CarbonylContact C-O 3.53Å; F442-W485 VanDerWaalsContact C-O 3.27Å; F442-W485 HydrophobicContact CB-CE3 4.27Å; F442-W485 WeakPolarHBondContact CB-O 3.31Å; F442-W485 HydrophobicContact CD1-CE3 4.16Å; F442-W485 HydrophobicContact CD1-CZ3 4.13Å; F442-W485 AromaticContact CD2-CE3 3.59Å; F442-W485 HydrophobicContact CD2-CE3 3.59Å; F442-W485 AromaticContact CD2-CZ3 3.67Å; F442-W485 HydrophobicContact CD2-CZ3 3.67Å; F442-W485 HydrophobicContact CE1-CE3 4.42Å; F442-W485 AromaticContact CE1-CZ3 3.92Å; F442-W485 HydrophobicContact CE1-CZ3 3.92Å; F442-W485 AromaticContact CE2-CE3 3.84Å; F442-W485 HydrophobicContact CE2-CE3 3.84Å; F442-W485 HydrophobicContact CE2-CH2 4.25Å; F442-W485 AromaticContact CE2-CZ3 3.38Å; F442-W485 HydrophobicContact CE2-CZ3 3.38Å; F442-W485 AromaticContact CG-CE3 3.76Å; F442-W485 HydrophobicContact CG-CE3 3.76Å; F442-W485 HydrophobicContact CG-CZ3 4.03Å; F442-W485 HydrophobicContact CZ-CE3 4.28Å; F442-W485 HydrophobicContact CZ-CH2 4.43Å; F442-W485 AromaticContact CZ-CZ3 3.55Å; F442-W485 HydrophobicContact CZ-CZ3 3.55Å; P483-W485 HydrophobicContact CB-CH2 4.39Å; P483-W485 HydrophobicContact CB-CZ2 4.3Å; W485-G500 PolarHBondContact N-O 3.26Å; W485-A502 HydrophobicContact CZ2-CB 4.15Å; W485-D527 PolarHBondContact NE1-OD2 3.27Å
486	C	95.7	Very high	91.9	Very high	17 Å²	17	40.4 Å²	40.4	12%	0.115	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	155.5	-172.2	61.7	0	0	0	0	112.3	T499 G500 S530	C486-T499 VanDerWaalsContact O-CA 3.3Å; C486-T499 WeakPolarHBondContact O-CA 3.49Å; C486-G500 PolarHBondContact N-O 3.29Å; C486-G500 PolarHBondContact O-N 3.38Å; C486-S530 VanDerWaalsContact SG-CA 3.55Å
487	V	96.7	Very high	92.1	Very high	15 Å²	15	39.4 Å²	39.4	9%	0.091	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	138	174.6	62.6	0	0	0	0	108.8	G443 A445 A454 A456 V462 I497 A498 T499	G443-V487 VanDerWaalsContact C-CG1 3.48Å; A445-V487 HydrophobicContact CB-CG1 4.22Å; A454-V487 HydrophobicContact CB-CG2 3.67Å; A456-V487 HydrophobicContact CB-CB 4Å; A456-V487 HydrophobicContact CB-CG1 4.17Å; V462-V487 HydrophobicContact CG1-CG2 4.47Å; V487-I497 HydrophobicContact CG2-CG2 3.51Å; V487-A498 CarbonylContact C-O 3.52Å; V487-A498 WeakPolarHBondContact CA-O 3.44Å; V487-T499 HydrophobicContact CB-CG2 4.2Å; V487-T499 HydrophobicContact CG2-CG2 3.94Å
488	T	96.3	Very high	92.2	Very high	29 Å²	29	39.4 Å²	39.4	18%	0.178	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	143.8	175.4	-174.2	0	0	0	0	110	I497 A498 V531 I533	T488-I497 CarbonylContact O-C 3.53Å; T488-I497 WeakPolarHBondContact O-CA 3.48Å; T488-A498 HydrophobicContact CG2-CB 3.94Å; T488-A498 PolarHBondContact N-O 2.9Å; T488-A498 PolarHBondContact O-N 2.78Å; T488-V531 HydrophobicContact CG2-CB 4.35Å; T488-V531 HydrophobicContact CG2-CG1 3.91Å; T488-I533 HydrophobicContact CG2-CD1 4.26Å; T488-I533 HydrophobicContact CG2-CG1 4.15Å
489	W	95.5	Very high	92.4	Very high	15 Å²	15	30.8 Å²	30.8	6%	0.057	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	155.1	168.8	-75.3	85.1	0	0	0	111	A445 L452 A454 L464 I497 T511	A445-W489 PolarHBondContact O-NE1 2.96Å; L452-W489 HydrophobicContact CB-CH2 3.83Å; L452-W489 HydrophobicContact CB-CZ2 3.81Å; L452-W489 HydrophobicContact CD1-CH2 3.82Å; L452-W489 HydrophobicContact CG-CH2 4.49Å; A454-W489 HydrophobicContact CB-CZ2 4.01Å; L464-W489 HydrophobicContact CD1-CH2 3.66Å; L464-W489 HydrophobicContact CD1-CZ2 3.5Å; W489-I497 HydrophobicContact CD2-CD1 4.41Å; W489-I497 HydrophobicContact CD2-CG1 3.85Å; W489-I497 HydrophobicContact CE3-CD1 4.36Å; W489-I497 HydrophobicContact CE3-CG1 3.76Å; W489-I497 HydrophobicContact CH2-CD1 3.75Å; W489-I497 HydrophobicContact CH2-CG1 4.08Å; W489-I497 HydrophobicContact CZ2-CD1 3.79Å; W489-I497 HydrophobicContact CZ2-CG1 4.15Å; W489-I497 HydrophobicContact CZ3-CD1 4.04Å; W489-I497 HydrophobicContact CZ3-CG1 3.88Å; W489-T511 HydrophobicContact CH2-CG2 3.81Å; W489-T511 HydrophobicContact CZ3-CG2 3.81Å
490	A	92.9	Very high	92.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-66.6	128.9	166	0	0	0	0	0	110	P448 G494 Y496 I533 V537	P448-A490 WeakPolarHBondContact CG-O 3.29Å; A490-G494 PolarHBondContact O-N 3.22Å; A490-Y496 PolarHBondContact N-O 3.04Å; A490-I533 HydrophobicContact CB-CD1 3.94Å; A490-I533 HydrophobicContact CB-CG2 4.34Å; A490-V537 HydrophobicContact CB-CG1 3.91Å; A490-V537 HydrophobicContact CB-CG2 4.12Å
491	P	86.6	Confident	92.9	Very high	41 Å²	41	28 Å²	28	27%	0.266	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	151	-178.8	28.4	-34.9	0	0	0	111	Y493	P491-Y493 PolarHBondContact O-N 3.29Å
492	T	80.1	Confident	93.1	Very high	32 Å²	32	21.1 Å²	21.1	20%	0.196	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	-59.2	177.5	-59.7	0	0	0	0	116	L233 L308 Y312 K316	L233-T492 HydrophobicContact CD1-CG2 3.49Å; L233-T492 VanDerWaalsContact CD1-CG2 3.49Å; L308-T492 HydrophobicContact CD1-CG2 4.48Å; Y312-T492 WeakPolarHBondContact CE1-O 3.31Å; Y312-T492 VanDerWaalsContact CZ-O 3.3Å; Y312-T492 WeakPolarHBondContact OH-CA 3.3Å; Y312-T492 PolarHBondContact OH-O 2.99Å; K316-T492 PolarHBondContact NZ-OG1 3.29Å
493	Y	82	Confident	93	Very high	20 Å²	20	18.8 Å²	18.8	8%	0.078	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-21.3	-173.1	-64	-81	0	0	0	113.8	L228 D230 L305 P306 L308 P491 V537	L228-Y493 HydrophobicContact CD1-CE2 3.79Å; D230-Y493 WeakPolarHBondContact CB-OH 3.37Å; D230-Y493 WeakPolarHBondContact OD2-CE1 3.27Å; D230-Y493 PolarHBondContact OD2-OH 2.82Å; L305-Y493 HydrophobicContact CB-CD1 4.48Å; L305-Y493 HydrophobicContact CD1-CE1 4.49Å; L305-Y493 HydrophobicContact CD1-CE2 4.32Å; L305-Y493 HydrophobicContact CD2-CD2 4.3Å; L305-Y493 HydrophobicContact CD2-CG 4.29Å; P306-Y493 WeakPolarHBondContact CG-O 3.43Å; L308-Y493 HydrophobicContact CD1-CD1 4.15Å; L308-Y493 HydrophobicContact CD1-CE1 4.07Å; L308-Y493 HydrophobicContact CD2-CD1 4.05Å; L308-Y493 HydrophobicContact CG-CD1 3.97Å; L308-Y493 HydrophobicContact CG-CE1 4.28Å; P491-Y493 PolarHBondContact O-N 3.29Å; Y493-V537 HydrophobicContact CD2-CG2 3.96Å
494	G	84.6	Confident	92.9	Very high	6 Å²	6	20.5 Å²	20.5	6%	0.062	10%	0.103	C	C	.	.			trans	61.5	-148.8	-169.4	0	0	0	0	0	111.3	A490 Y496	A490-G494 PolarHBondContact O-N 3.22Å; G494-Y496 PolarHBondContact O-N 3.3Å
495	H	90.6	Very high	92.7	Very high	38 Å²	38	20.9 Å²	20.9	18%	0.176	11%	0.106	C	C	.	.			trans	69.4	-46.4	177.5	-179.9	73.6	0	0	0	116.6	P306 A510 T511 D512	P306-H495 HydrophobicContact CB-CB 4.36Å; P306-H495 HydrophobicContact CG-CB 3.73Å; H495-A510 WeakPolarHBondContact O-CA 3.45Å; H495-T511 PolarHBondContact ND1-OG1 2.95Å; H495-T511 WeakPolarHBondContact O-CG2 3.46Å; H495-T511 PolarHBondContact O-N 2.65Å; H495-T511 VanDerWaalsContact O-N 3.09Å; H495-D512 VanDerWaalsContact CE1-CG 3.42Å; H495-D512 IonicContact CE1-OD1 3.37Å; H495-D512 PolarHBondContact CE1-OD1 2.89Å; H495-D512 IonicContact CE1-OD2 3.58Å; H495-D512 PolarHBondContact CE1-OD2 3.37Å; H495-D512 IonicContact NE2-OD1 2.91Å
496	Y	94.4	Very high	92.8	Very high	16 Å²	16	17.4 Å²	17.4	6%	0.063	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	140.8	175.5	-62	-65.9	0	0	0	111.8	P304 A490 G494 Y509 A510 L518 V537	P304-Y496 WeakPolarHBondContact CG-OH 3.45Å; P304-Y496 WeakPolarHBondContact O-CE2 3.49Å; P304-Y496 PolarHBondContact O-OH 3.42Å; A490-Y496 PolarHBondContact N-O 3.04Å; G494-Y496 PolarHBondContact O-N 3.3Å; Y496-Y509 VanDerWaalsContact CA-O 3.31Å; Y496-Y509 WeakPolarHBondContact CA-O 3.36Å; Y496-A510 HydrophobicContact CD1-CB 4Å; Y496-A510 HydrophobicContact CE1-CB 3.99Å; Y496-L518 HydrophobicContact CD1-CD1 4.03Å; Y496-L518 HydrophobicContact CE1-CD1 3.65Å; Y496-V537 HydrophobicContact CD2-CG1 3.73Å; Y496-V537 HydrophobicContact CE2-CG1 4.32Å
497	I	96.2	Very high	92.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.4	176	-59.7	166.7	0	0	0	107.2	A454 L464 W477 V487 T488 W489 T499 L508 Y509 T511	A454-I497 HydrophobicContact CB-CD1 4.11Å; A454-I497 HydrophobicContact CB-CG2 4.3Å; L464-I497 HydrophobicContact CD1-CD1 4.1Å; W477-I497 HydrophobicContact CH2-CD1 3.73Å; W477-I497 HydrophobicContact CZ3-CD1 4.16Å; V487-I497 HydrophobicContact CG2-CG2 3.51Å; T488-I497 CarbonylContact O-C 3.53Å; T488-I497 WeakPolarHBondContact O-CA 3.48Å; W489-I497 HydrophobicContact CD2-CD1 4.41Å; W489-I497 HydrophobicContact CD2-CG1 3.85Å; W489-I497 HydrophobicContact CE3-CD1 4.36Å; W489-I497 HydrophobicContact CE3-CG1 3.76Å; W489-I497 HydrophobicContact CH2-CD1 3.75Å; W489-I497 HydrophobicContact CH2-CG1 4.08Å; W489-I497 HydrophobicContact CZ2-CD1 3.79Å; W489-I497 HydrophobicContact CZ2-CG1 4.15Å; W489-I497 HydrophobicContact CZ3-CD1 4.04Å; W489-I497 HydrophobicContact CZ3-CG1 3.88Å; I497-T499 HydrophobicContact CG2-CG2 4.33Å; I497-L508 CarbonylContact O-C 3.51Å; I497-L508 WeakPolarHBondContact O-CA 3.28Å; I497-Y509 PolarHBondContact N-O 3.08Å; I497-Y509 PolarHBondContact O-N 3.45Å; I497-T511 HydrophobicContact CD1-CG2 4.23Å
498	A	97	Very high	92.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	145.2	172.6	0	0	0	0	0	111.2	V487 T488 H507 L508 V531 I533 L540	V487-A498 CarbonylContact C-O 3.52Å; V487-A498 WeakPolarHBondContact CA-O 3.44Å; T488-A498 HydrophobicContact CG2-CB 3.94Å; T488-A498 PolarHBondContact N-O 2.9Å; T488-A498 PolarHBondContact O-N 2.78Å; A498-H507 CarbonylContact C-O 3.54Å; A498-H507 VanDerWaalsContact CA-O 3.24Å; A498-H507 WeakPolarHBondContact CA-O 3.19Å; A498-L508 HydrophobicContact CB-CD1 4.12Å; A498-V531 HydrophobicContact CB-CG1 3.64Å; A498-I533 HydrophobicContact CB-CD1 3.86Å; A498-I533 HydrophobicContact CB-CG1 4.07Å; A498-L540 HydrophobicContact CB-CD1 3.52Å; A498-L540 HydrophobicContact CB-CD2 4.34Å
499	T	97.5	Very high	92.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	154.1	-176.6	59.5	0	0	0	0	110.9	V462 H480 V484 C486 V487 I497 A506 H507 Y509	V462-T499 HydrophobicContact CB-CG2 4.48Å; V462-T499 HydrophobicContact CG1-CG2 3.97Å; V462-T499 HydrophobicContact CG2-CG2 3.73Å; H480-T499 PolarHBondContact NE2-OG1 2.95Å; V484-T499 HydrophobicContact CG1-CG2 4.49Å; C486-T499 VanDerWaalsContact O-CA 3.3Å; C486-T499 WeakPolarHBondContact O-CA 3.49Å; V487-T499 HydrophobicContact CB-CG2 4.2Å; V487-T499 HydrophobicContact CG2-CG2 3.94Å; I497-T499 HydrophobicContact CG2-CG2 4.33Å; T499-A506 CarbonylContact O-C 3.53Å; T499-A506 WeakPolarHBondContact O-CA 3.26Å; T499-A506 VanDerWaalsContact O-CB 3.23Å; T499-A506 WeakPolarHBondContact O-CB 3.31Å; T499-H507 PolarHBondContact N-O 3.48Å; T499-H507 PolarHBondContact O-N 3.37Å; T499-Y509 HydrophobicContact CG2-CD2 4.15Å; T499-Y509 HydrophobicContact CG2-CE2 3.88Å; T499-Y509 WeakPolarHBondContact OG1-CE2 3.32Å
500	G	96.7	Very high	92.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	136.5	175.4	0	0	0	0	0	110.4	V484 W485 C486 V528	V484-G500 WeakPolarHBondContact CG1-O 3.42Å; W485-G500 PolarHBondContact N-O 3.26Å; C486-G500 PolarHBondContact N-O 3.29Å; C486-G500 PolarHBondContact O-N 3.38Å; G500-V528 CarbonylContact C-O 3.37Å; G500-V528 VanDerWaalsContact C-O 3.25Å
501	G	95.3	Very high	92.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	173.2	-174.4	0	0	0	0	0	114.9	P483 D503 R504 S505 V528	P483-G501 CarbonylContact O-C 3.54Å; P483-G501 WeakPolarHBondContact O-CA 3.38Å; G501-D503 PolarHBondContact O-N 2.89Å; G501-R504 PolarHBondContact O-N 3.4Å; G501-S505 PolarHBondContact N-O 2.91Å; G501-V528 PolarHBondContact N-O 3.36Å; G501-V528 PolarHBondContact O-N 2.83Å
502	A	94.4	Very high	92.6	Very high	14 Å²	14	19.2 Å²	19.2	12%	0.116	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-11	172.1	0	0	0	0	0	113.2	L482 P483 W485 R504 D527	L482-A502 HydrophobicContact CB-CB 3.85Å; L482-A502 HydrophobicContact CD1-CB 4.4Å; P483-A502 HydrophobicContact CB-CB 4.39Å; P483-A502 PolarHBondContact O-N 3.34Å; W485-A502 HydrophobicContact CZ2-CB 4.15Å; A502-R504 PolarHBondContact O-N 2.89Å; A502-D527 WeakPolarHBondContact CB-OD2 3.38Å
503	D	92.3	Very high	92.8	Very high	38 Å²	38	22.7 Å²	22.7	20%	0.203	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	6.2	171.4	61.3	11.7	0	0	0	114.1	H480 L482 G501 S505 H507	H480-D503 IonicContact CE1-OD1 2.65Å; H480-D503 IonicContact CE1-OD2 3.66Å; H480-D503 IonicContact CG-OD2 3.75Å; H480-D503 IonicContact ND1-OD1 3.46Å; H480-D503 PolarHBondContact ND1-OD1 3.1Å; H480-D503 IonicContact ND1-OD2 2.98Å; H480-D503 PolarHBondContact ND1-OD2 2.85Å; L482-D503 HydrophobicContact CB-CB 4.3Å; L482-D503 HydrophobicContact CD1-CB 4.34Å; G501-D503 PolarHBondContact O-N 2.89Å; D503-S505 PolarHBondContact O-N 3.23Å; D503-S505 PolarHBondContact OD1-N 3.38Å; D503-S505 VanDerWaalsContact OD1-N 3.08Å; D503-S505 PolarHBondContact OD1-OG 3.2Å; D503-S505 PolarHBondContact OD2-OG 3.45Å; D503-H507 IonicContact OD2-CE1 3.67Å
504	R	92.2	Very high	92.8	Very high	76 Å²	76	23.8 Å²	23.8	29%	0.287	13%	0.127	S	C	.	.	S	Bend	trans	65.5	21.5	179.1	-44.9	179.4	-75.3	-160	-3.2	113.1	E149 G501 A502 G526	E149-R504 VanDerWaalsContact CD-NH1 3.28Å; E149-R504 IonicContact OE1-CZ 3.73Å; E149-R504 IonicContact OE1-NH1 3.27Å; E149-R504 PolarHBondContact OE1-NH1 3.49Å; E149-R504 IonicContact OE1-NH2 2.8Å; E149-R504 PolarHBondContact OE1-NH2 2.82Å; E149-R504 IonicContact OE2-CZ 3.24Å; E149-R504 IonicContact OE2-NH1 3.85Å; E149-R504 PolarHBondContact OE2-NH1 3.33Å; E149-R504 IonicContact OE2-NH2 2.84Å; E149-R504 PolarHBondContact OE2-NH2 3.3Å; G501-R504 PolarHBondContact O-N 3.4Å; A502-R504 PolarHBondContact O-N 2.89Å; R504-G526 WeakPolarHBondContact CB-O 3.33Å
505	S	94.5	Very high	92.7	Very high	8 Å²	8	26.9 Å²	26.9	6%	0.056	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	156.4	-179.9	75.6	0	0	0	0	111.4	G501 D503 H507 F521	G501-S505 PolarHBondContact N-O 2.91Å; D503-S505 PolarHBondContact O-N 3.23Å; D503-S505 PolarHBondContact OD1-N 3.38Å; D503-S505 VanDerWaalsContact OD1-N 3.08Å; D503-S505 PolarHBondContact OD1-OG 3.2Å; D503-S505 PolarHBondContact OD2-OG 3.45Å; S505-H507 PolarHBondContact OG-CE1 2.77Å; S505-H507 PolarHBondContact OG-ND1 2.8Å; S505-F521 WeakPolarHBondContact CA-O 3.48Å
506	A	96.8	Very high	92.6	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.008	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	144	165.4	0	0	0	0	0	109.4	T499 V520 F521 V528 V531 L540 T542	T499-A506 CarbonylContact O-C 3.53Å; T499-A506 WeakPolarHBondContact O-CA 3.26Å; T499-A506 VanDerWaalsContact O-CB 3.23Å; T499-A506 WeakPolarHBondContact O-CB 3.31Å; A506-V520 CarbonylContact O-C 3.53Å; A506-F521 HydrophobicContact CB-CB 4.23Å; A506-F521 HydrophobicContact CB-CD2 4.11Å; A506-F521 PolarHBondContact N-O 2.92Å; A506-F521 WeakPolarHBondContact O-CD2 3.36Å; A506-F521 PolarHBondContact O-N 2.89Å; A506-V528 HydrophobicContact CB-CG1 4.41Å; A506-V531 HydrophobicContact CB-CG2 4.22Å; A506-L540 HydrophobicContact CB-CD2 4.32Å; A506-T542 HydrophobicContact CB-CG2 3.78Å
507	H	96.2	Very high	92.5	Very high	11 Å²	11	30.7 Å²	30.7	5%	0.051	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	149.9	177.6	-67.2	70.1	0	0	0	110	H480 A498 T499 D503 S505 Y509 A517 R519	H480-H507 AromaticContact CD2-ND1 3.96Å; H480-H507 AromaticContact CE1-CE1 3.63Å; H480-H507 AromaticContact CE1-ND1 3.05Å; H480-H507 PolarHBondContact CE1-ND1 2.79Å; H480-H507 AromaticContact ND1-CE1 3.66Å; H480-H507 AromaticContact ND1-ND1 3.55Å; H480-H507 AromaticContact NE2-CG 3.89Å; H480-H507 AromaticContact NE2-ND1 3.32Å; H480-H507 PolarHBondContact NE2-ND1 2.88Å; A498-H507 CarbonylContact C-O 3.54Å; A498-H507 VanDerWaalsContact CA-O 3.24Å; A498-H507 WeakPolarHBondContact CA-O 3.19Å; T499-H507 PolarHBondContact N-O 3.48Å; T499-H507 PolarHBondContact O-N 3.37Å; D503-H507 IonicContact OD2-CE1 3.67Å; S505-H507 PolarHBondContact OG-CE1 2.77Å; S505-H507 PolarHBondContact OG-ND1 2.8Å; H507-Y509 HydrophobicContact CB-CE1 4.46Å; H507-Y509 HydrophobicContact CB-CE2 3.74Å; H507-A517 HydrophobicContact CB-CB 4.22Å; H507-R519 CarbonylContact C-O 3.5Å; H507-R519 WeakPolarHBondContact CA-O 3.31Å
508	L	96.4	Very high	92.3	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.026	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	126.4	169	-172	73.2	0	0	0	109	I497 A498 L518 R519 F521 V554	I497-L508 CarbonylContact O-C 3.51Å; I497-L508 WeakPolarHBondContact O-CA 3.28Å; A498-L508 HydrophobicContact CB-CD1 4.12Å; L508-L518 WeakPolarHBondContact O-CB 3.49Å; L508-L518 PolarHBondContact O-N 3.21Å; L508-R519 HydrophobicContact CB-CB 4.11Å; L508-R519 PolarHBondContact N-O 2.92Å; L508-R519 PolarHBondContact O-N 3.34Å; L508-F521 HydrophobicContact CB-CE2 3.92Å; L508-F521 HydrophobicContact CB-CZ 4.38Å; L508-V554 HydrophobicContact CD2-CG1 3.53Å
509	Y	95.1	Very high	92.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	155	176.1	-58.4	-73.3	0	0	0	110.2	V462 W477 D479 Y496 I497 T499 H507 A517	V462-Y509 HydrophobicContact CG2-CE2 4.38Å; W477-Y509 HydrophobicContact CB-CD1 4.19Å; W477-Y509 HydrophobicContact CB-CE1 3.71Å; W477-Y509 AromaticContact CD1-CD1 3.24Å; W477-Y509 AromaticContact CD1-CE1 3.53Å; W477-Y509 AromaticContact CD1-CG 4Å; W477-Y509 HydrophobicContact CD2-CD1 4.21Å; W477-Y509 HydrophobicContact CD2-CG 4.28Å; W477-Y509 AromaticContact CG-CD1 3.66Å; W477-Y509 HydrophobicContact CG-CD1 3.66Å; W477-Y509 AromaticContact CG-CE1 3.71Å; W477-Y509 HydrophobicContact CG-CE1 3.71Å; W477-Y509 HydrophobicContact CG-CG 4.17Å; W477-Y509 AromaticContact NE1-CD1 3.62Å; D479-Y509 VanDerWaalsContact OD2-CE1 3.25Å; D479-Y509 WeakPolarHBondContact OD2-CE1 3.3Å; Y496-Y509 VanDerWaalsContact CA-O 3.31Å; Y496-Y509 WeakPolarHBondContact CA-O 3.36Å; I497-Y509 PolarHBondContact N-O 3.08Å; I497-Y509 PolarHBondContact O-N 3.45Å; T499-Y509 HydrophobicContact CG2-CD2 4.15Å; T499-Y509 HydrophobicContact CG2-CE2 3.88Å; T499-Y509 WeakPolarHBondContact OG1-CE2 3.32Å; H507-Y509 HydrophobicContact CB-CE1 4.46Å; H507-Y509 HydrophobicContact CB-CE2 3.74Å; Y509-A517 HydrophobicContact CD1-CB 4.02Å; Y509-A517 HydrophobicContact CE1-CB 3.59Å
510	A	93.4	Very high	92.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	150.8	159.4	0	0	0	0	0	109.5	H495 Y496 D512 H513 L518	H495-A510 WeakPolarHBondContact O-CA 3.45Å; Y496-A510 HydrophobicContact CD1-CB 4Å; Y496-A510 HydrophobicContact CE1-CB 3.99Å; A510-D512 WeakPolarHBondContact CB-OD1 3.42Å; A510-D512 PolarHBondContact O-N 3.03Å; A510-H513 HydrophobicContact CB-CB 4.44Å; A510-H513 PolarHBondContact O-N 3.42Å; A510-L518 HydrophobicContact CB-CD1 3.51Å; A510-L518 HydrophobicContact CB-CG 4.26Å
511	T	90.6	Very high	92	Very high	43 Å²	43	42.4 Å²	42.4	26%	0.264	23%	0.228	S	C	.	.	S	Bend	trans	-66.7	-21.9	-177.1	52.2	0	0	0	0	113.9	L464 W489 H495 I497	L464-T511 HydrophobicContact CD2-CG2 4.36Å; W489-T511 HydrophobicContact CH2-CG2 3.81Å; W489-T511 HydrophobicContact CZ3-CG2 3.81Å; H495-T511 PolarHBondContact ND1-OG1 2.95Å; H495-T511 WeakPolarHBondContact O-CG2 3.46Å; H495-T511 PolarHBondContact O-N 2.65Å; H495-T511 VanDerWaalsContact O-N 3.09Å; I497-T511 HydrophobicContact CD1-CG2 4.23Å
512	D	88	Confident	91.9	Very high	96 Å²	96	47.6 Å²	47.6	51%	0.513	26%	0.26	S	S	.	.	S	Bend	trans	-94.9	-21.1	-178.5	60.4	-19.2	0	0	0	114.2	H495 A510	H495-D512 VanDerWaalsContact CE1-CG 3.42Å; H495-D512 IonicContact CE1-OD1 3.37Å; H495-D512 PolarHBondContact CE1-OD1 2.89Å; H495-D512 IonicContact CE1-OD2 3.58Å; H495-D512 PolarHBondContact CE1-OD2 3.37Å; H495-D512 IonicContact NE2-OD1 2.91Å; A510-D512 WeakPolarHBondContact CB-OD1 3.42Å; A510-D512 PolarHBondContact O-N 3.03Å
513	H	85.6	Confident	91.6	Very high	104 Å²	104	48.1 Å²	48.1	48%	0.481	27%	0.267	S	S	.	.	S	Bend	trans	-99.5	26.6	-175.6	-68.5	-51.8	0	0	0	114.1	A510 D516 L518	A510-H513 HydrophobicContact CB-CB 4.44Å; A510-H513 PolarHBondContact O-N 3.42Å; H513-D516 PolarHBondContact O-N 3.21Å; H513-L518 HydrophobicContact CB-CD2 4.04Å
514	A	81.7	Confident	91.6	Very high	43 Å²	43	46.8 Å²	46.8	36%	0.355	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	142.8	175.4	0	0	0	0	0	111.8	T475	T475-A514 HydrophobicContact CG2-CB 4.37Å; T475-A514 WeakPolarHBondContact OG1-CB 3.38Å
515	P	82.2	Confident	91.4	Very high	72 Å²	72	45.8 Å²	45.8	47%	0.468	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	cis	-99.3	3.6	11	38.3	-35.4	0	0	0	115.9	W477	W477-P515 VanDerWaalsContact CD1-O 3.22Å
516	D	88	Confident	91.1	Very high	107 Å²	107	46 Å²	46	57%	0.572	26%	0.26	S	S	*	.	S	Bend	trans	-91.5	147	-170	-58.2	-31.6	0	0	0	112.4	H513	H513-D516 PolarHBondContact O-N 3.21Å
517	A	91.7	Very high	91	Very high	27 Å²	27	48.5 Å²	48.5	22%	0.223	27%	0.274	C	S	.	.			trans	-69.4	138.9	168.6	0	0	0	0	0	112.2	D479 H507 Y509	D479-A517 VanDerWaalsContact OD2-CB 3.3Å; D479-A517 WeakPolarHBondContact OD2-CB 3.46Å; D479-A517 PolarHBondContact OD2-N 2.94Å; H507-A517 HydrophobicContact CB-CB 4.22Å; Y509-A517 HydrophobicContact CD1-CB 4.02Å; Y509-A517 HydrophobicContact CE1-CB 3.59Å
518	L	93	Very high	91	Very high	53 Å²	53	48 Å²	48	28%	0.277	27%	0.272	S	S	.	.	S	Bend	trans	-71	-39	172.6	-67.8	-179.2	0	0	0	112.3	Y496 L508 A510 H513	Y496-L518 HydrophobicContact CD1-CD1 4.03Å; Y496-L518 HydrophobicContact CE1-CD1 3.65Å; L508-L518 WeakPolarHBondContact O-CB 3.49Å; L508-L518 PolarHBondContact O-N 3.21Å; A510-L518 HydrophobicContact CB-CD1 3.51Å; A510-L518 HydrophobicContact CB-CG 4.26Å; H513-L518 HydrophobicContact CB-CD2 4.04Å
519	R	94.3	Very high	91	Very high	117 Å²	117	48.8 Å²	48.8	44%	0.442	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	145.2	-177.9	-65.8	-66	-179	-104	5.8	110.6	H507 L508 F521 R555	H507-R519 CarbonylContact C-O 3.5Å; H507-R519 WeakPolarHBondContact CA-O 3.31Å; L508-R519 HydrophobicContact CB-CB 4.11Å; L508-R519 PolarHBondContact N-O 2.92Å; L508-R519 PolarHBondContact O-N 3.34Å; R519-F521 HydrophobicContact CB-CE1 4.44Å; R519-F521 HydrophobicContact CB-CE2 4.26Å; R519-F521 HydrophobicContact CB-CZ 3.99Å; R519-R555 PolarHBondContact NE-O 2.97Å; R519-R555 PolarHBondContact NH2-O 3Å
520	V	94.9	Very high	91	Very high	73 Å²	73	49.2 Å²	49.2	44%	0.442	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	121.6	171.6	-170.7	0	0	0	0	108.1	A506 V522	A506-V520 CarbonylContact O-C 3.53Å; V520-V522 HydrophobicContact CG1-CG2 3.87Å
521	F	96	Very high	91.2	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.009	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	108.9	178	-52.5	-79.2	0	0	0	109	S505 A506 L508 R519 L540 F552	S505-F521 WeakPolarHBondContact CA-O 3.48Å; A506-F521 HydrophobicContact CB-CB 4.23Å; A506-F521 HydrophobicContact CB-CD2 4.11Å; A506-F521 PolarHBondContact N-O 2.92Å; A506-F521 WeakPolarHBondContact O-CD2 3.36Å; A506-F521 PolarHBondContact O-N 2.89Å; L508-F521 HydrophobicContact CB-CE2 3.92Å; L508-F521 HydrophobicContact CB-CZ 4.38Å; R519-F521 HydrophobicContact CB-CE1 4.44Å; R519-F521 HydrophobicContact CB-CE2 4.26Å; R519-F521 HydrophobicContact CB-CZ 3.99Å; F521-L540 HydrophobicContact CD2-CD2 3.4Å; F521-L540 VanDerWaalsContact CD2-CD2 3.4Å; F521-L540 HydrophobicContact CE2-CD2 3.27Å; F521-L540 HydrophobicContact CG-CD2 4.18Å; F521-L540 HydrophobicContact CZ-CD2 3.96Å; F521-F552 HydrophobicContact CB-CD1 4.08Å; F521-F552 HydrophobicContact CB-CD2 4.05Å; F521-F552 HydrophobicContact CB-CE1 4.11Å; F521-F552 HydrophobicContact CB-CE2 4.07Å; F521-F552 HydrophobicContact CB-CG 4.05Å; F521-F552 HydrophobicContact CB-CZ 4.11Å; F521-F552 HydrophobicContact CD1-CB 3.43Å; F521-F552 VanDerWaalsContact CD1-CB 3.43Å; F521-F552 AromaticContact CD1-CD1 3.78Å; F521-F552 HydrophobicContact CD1-CD1 3.78Å; F521-F552 HydrophobicContact CD1-CD2 4.27Å; F521-F552 AromaticContact CD1-CG 3.58Å; F521-F552 HydrophobicContact CD1-CG 3.58Å; F521-F552 HydrophobicContact CE1-CB 3.66Å; F521-F552 HydrophobicContact CE1-CG 4.33Å; F521-F552 HydrophobicContact CG-CB 4.2Å; F521-F552 HydrophobicContact CG-CD1 4.33Å; F521-F552 HydrophobicContact CG-CD2 4.28Å; F521-F552 HydrophobicContact CG-CG 4.03Å
522	V	92.8	Very high	91.5	Very high	110 Å²	110	48.8 Å²	48.8	67%	0.667	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	142.3	-179.1	-177.2	0	0	0	0	109.8	V520	V520-V522 HydrophobicContact CG1-CG2 3.87Å
523	G	88.1	Confident	91.9	Very high	25 Å²	25	44.5 Å²	44.5	26%	0.258	25%	0.254	S	S	.	.			trans	158.8	-21.3	164.3	0	0	0	0	0	114.2	R550	G523-R550 VanDerWaalsContact C-CZ 3.4Å; G523-R550 VanDerWaalsContact CA-NH1 3.31Å; G523-R550 PolarHBondContact O-NH1 3.24Å; G523-R550 PolarHBondContact O-NH2 3.08Å
524	H	91.7	Very high	92.3	Very high	10 Å²	10	39.6 Å²	39.6	5%	0.046	23%	0.231	C	C	.	.			trans	-60.1	148.5	177.3	-81.8	-71.4	0	0	0	111.1	V528 T542 S544 D546 R550	H524-V528 HydrophobicContact CB-CG2 4.17Å; H524-T542 PolarHBondContact NE2-OG1 3Å; H524-S544 VanDerWaalsContact CE1-CB 3.41Å; H524-S544 WeakPolarHBondContact CE1-CB 3.23Å; H524-S544 WeakPolarHBondContact ND1-CB 3.48Å; H524-D546 WeakPolarHBondContact CA-OD2 3.48Å; H524-D546 IonicContact CE1-OD1 3.95Å; H524-D546 IonicContact CG-OD2 2.72Å; H524-D546 IonicContact ND1-OD1 2.91Å; H524-D546 PolarHBondContact ND1-OD1 2.84Å; H524-D546 IonicContact ND1-OD2 2.76Å; H524-D546 PolarHBondContact ND1-OD2 3.19Å; H524-R550 VanDerWaalsContact CE1-CD 3.49Å; H524-R550 WeakPolarHBondContact CE1-CD 3.46Å; H524-R550 PolarHBondContact ND1-NE 3.32Å
525	K	88.1	Confident	92.7	Very high	54 Å²	54	39 Å²	39	24%	0.235	22%	0.224	C	C	.	.	S	Bend	trans	-96.1	-11.7	-179.2	-62.7	-58	-168.1	176.4	0	113.1	A153 D546	A153-K525 PolarHBondContact O-NZ 3.48Å; K525-D546 HydrophobicContact CB-CB 4.14Å; K525-D546 PolarHBondContact N-OD2 2.87Å
526	G	89.1	Confident	93.1	Very high	12 Å²	12	35.5 Å²	35.5	12%	0.124	20%	0.201	C	C	.	.	S	Bend	trans	-134.3	-176	170.6	0	0	0	0	0	110.5	R504 S544	R504-G526 WeakPolarHBondContact CB-O 3.33Å; G526-S544 PolarHBondContact O-OG 3.1Å; G526-S544 VanDerWaalsContact O-OG 3.04Å
527	D	93.2	Very high	93.4	Very high	55 Å²	55	30.5 Å²	30.5	29%	0.294	18%	0.175	S	C	.	.			trans	-54.6	141.9	-177.3	-61.4	27.6	0	0	0	112.1	W485 A502 T529 S544 A545	W485-D527 PolarHBondContact NE1-OD2 3.27Å; A502-D527 WeakPolarHBondContact CB-OD2 3.38Å; D527-T529 PolarHBondContact O-N 3.27Å; D527-S544 CarbonylContact O-C 3.52Å; D527-S544 WeakPolarHBondContact O-CA 3.12Å; D527-S544 VanDerWaalsContact O-CB 3.23Å; D527-S544 WeakPolarHBondContact O-CB 3.06Å; D527-S544 PolarHBondContact O-OG 3.36Å; D527-A545 HydrophobicContact CB-CB 4.29Å; D527-A545 PolarHBondContact O-N 2.92Å
528	V	96.8	Very high	93.5	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	102.7	172.8	-177.6	0	0	0	0	108.2	G500 G501 A506 H524 V531 T542	G500-V528 CarbonylContact C-O 3.37Å; G500-V528 VanDerWaalsContact C-O 3.25Å; G501-V528 PolarHBondContact N-O 3.36Å; G501-V528 PolarHBondContact O-N 2.83Å; A506-V528 HydrophobicContact CB-CG1 4.41Å; H524-V528 HydrophobicContact CB-CG2 4.17Å; V528-V531 HydrophobicContact CG1-CG2 3.74Å; V528-T542 HydrophobicContact CG1-CG2 4.46Å
529	T	96.4	Very high	93.6	Very high	21 Å²	21	27.1 Å²	27.1	13%	0.129	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-28.7	-172	46.9	0	0	0	0	112.7	D527 G543 V570	D527-T529 PolarHBondContact O-N 3.27Å; T529-G543 PolarHBondContact N-O 3.45Å; T529-G543 PolarHBondContact OG1-O 2.74Å; T529-G543 VanDerWaalsContact OG1-O 3.08Å; T529-V570 WeakPolarHBondContact CB-O 3.32Å; T529-V570 PolarHBondContact OG1-O 3.35Å
530	S	96.3	Very high	93.7	Very high	8 Å²	8	21.5 Å²	21.5	6%	0.056	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	145	-176.9	52.5	0	0	0	0	111.5	C486 T542 G543 Q571	C486-S530 VanDerWaalsContact SG-CA 3.55Å; S530-T542 CarbonylContact O-C 3.54Å; S530-T542 WeakPolarHBondContact O-CA 3.34Å; S530-G543 PolarHBondContact N-O 2.9Å; S530-G543 PolarHBondContact O-N 2.78Å; S530-G543 WeakPolarHBondContact OG-CA 3.47Å; S530-Q571 WeakPolarHBondContact CB-O 3.2Å
531	V	97.4	Very high	93.8	Very high	14 Å²	14	18 Å²	18	9%	0.085	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	140.2	179.8	177.7	0	0	0	0	108.3	T488 A498 A506 V528 L540 A541 T542	T488-V531 HydrophobicContact CG2-CB 4.35Å; T488-V531 HydrophobicContact CG2-CG1 3.91Å; A498-V531 HydrophobicContact CB-CG1 3.64Å; A506-V531 HydrophobicContact CB-CG2 4.22Å; V528-V531 HydrophobicContact CG1-CG2 3.74Å; V531-L540 HydrophobicContact CG1-CD1 3.46Å; V531-L540 VanDerWaalsContact CG1-CD1 3.46Å; V531-L540 HydrophobicContact CG1-CD2 4.12Å; V531-L540 HydrophobicContact CG1-CG 3.98Å; V531-A541 CarbonylContact C-O 3.55Å; V531-A541 WeakPolarHBondContact CA-O 3.33Å; V531-T542 HydrophobicContact CG2-CG2 4.15Å
532	C	96.1	Very high	93.9	Very high	20 Å²	20	18 Å²	18	14%	0.135	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	135.3	177.1	-169.9	0	0	0	0	109.6	A541 L573 F575	C532-A541 PolarHBondContact N-O 2.93Å; C532-A541 PolarHBondContact O-N 3.33Å; C532-L573 HydrophobicContact CB-CB 3.86Å; C532-F575 HydrophobicContact CB-CD2 4.24Å; C532-F575 HydrophobicContact CB-CE2 4.26Å; C532-F575 VanDerWaalsContact SG-CD2 3.58Å
533	I	95.6	Very high	94.1	Very high	7 Å²	7	12.8 Å²	12.8	4%	0.036	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	134.4	175.8	-64.9	167.2	0	0	0	108.6	T488 A490 A498 V537 L540	T488-I533 HydrophobicContact CG2-CD1 4.26Å; T488-I533 HydrophobicContact CG2-CG1 4.15Å; A490-I533 HydrophobicContact CB-CD1 3.94Å; A490-I533 HydrophobicContact CB-CG2 4.34Å; A498-I533 HydrophobicContact CB-CD1 3.86Å; A498-I533 HydrophobicContact CB-CG1 4.07Å; I533-V537 HydrophobicContact CG2-CB 4.45Å; I533-V537 HydrophobicContact CG2-CG1 4.38Å; I533-L540 HydrophobicContact CB-CD1 4.43Å; I533-L540 HydrophobicContact CD1-CD1 4.41Å; I533-L540 HydrophobicContact CG1-CD1 3.4Å; I533-L540 VanDerWaalsContact CG1-CD1 3.4Å
534	H	94.8	Very high	94.4	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.066	C	C	.	.			trans	-63.2	148.6	176.7	-178.6	-87.3	0	0	0	111	Y225 N536 V537 Y539 F575 G579	Y225-H534 PolarHBondContact O-CE1 3.47Å; Y225-H534 VanDerWaalsContact O-CE1 3.25Å; Y225-H534 PolarHBondContact O-NE2 2.71Å; H534-N536 PolarHBondContact CE1-ND2 3.37Å; H534-N536 VanDerWaalsContact CE1-ND2 3.27Å; H534-N536 PolarHBondContact ND1-N 2.52Å; H534-N536 VanDerWaalsContact ND1-N 3.13Å; H534-N536 PolarHBondContact ND1-ND2 3.18Å; H534-N536 PolarHBondContact ND1-OD1 2.66Å; H534-N536 PolarHBondContact O-N 2.91Å; H534-V537 WeakPolarHBondContact O-CA 3.42Å; H534-V537 PolarHBondContact O-N 3.46Å; H534-Y539 VanDerWaalsContact CB-O 3.23Å; H534-Y539 WeakPolarHBondContact CB-O 3.44Å; H534-Y539 PolarHBondContact N-O 3.49Å; H534-F575 VanDerWaalsContact CA-CD2 3.47Å; H534-F575 HydrophobicContact CB-CD1 4.47Å; H534-F575 HydrophobicContact CB-CD2 4.14Å; H534-F575 HydrophobicContact CB-CE1 4.18Å; H534-F575 HydrophobicContact CB-CE2 3.83Å; H534-F575 HydrophobicContact CB-CG 4.43Å; H534-F575 HydrophobicContact CB-CZ 3.84Å; H534-F575 AromaticContact CD2-CD1 3.58Å; H534-F575 AromaticContact CD2-CE1 3.62Å; H534-G579 PolarHBondContact CD2-O 3.03Å; H534-G579 VanDerWaalsContact NE2-C 3.3Å; H534-G579 WeakPolarHBondContact NE2-CA 3.41Å; H534-G579 PolarHBondContact NE2-O 3.23Å
535	P	90.7	Very high	94.5	Very high	30 Å²	30	13 Å²	13	20%	0.195	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-26.2	-178.9	-31.9	37.2	0	0	0	116.1	L227 F575	L227-P535 HydrophobicContact CD2-CB 3.63Å; L227-P535 HydrophobicContact CD2-CG 4.37Å; P535-F575 HydrophobicContact CG-CB 4.27Å
536	N	90.6	Very high	94.6	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	4.4	175.4	74.7	8.8	0	0	0	114.7	L224 G226 L228 P298 H534 N538	L224-N536 PolarHBondContact O-ND2 3.26Å; G226-N536 WeakPolarHBondContact O-CB 3.16Å; G226-N536 PolarHBondContact O-ND2 2.95Å; L228-N536 HydrophobicContact CD1-CB 4.37Å; L228-N536 WeakPolarHBondContact CD1-O 3.46Å; L228-N536 HydrophobicContact CG-CB 3.93Å; P298-N536 HydrophobicContact CG-CB 4.25Å; H534-N536 PolarHBondContact CE1-ND2 3.37Å; H534-N536 VanDerWaalsContact CE1-ND2 3.27Å; H534-N536 PolarHBondContact ND1-N 2.52Å; H534-N536 VanDerWaalsContact ND1-N 3.13Å; H534-N536 PolarHBondContact ND1-ND2 3.18Å; H534-N536 PolarHBondContact ND1-OD1 2.66Å; H534-N536 PolarHBondContact O-N 2.91Å; N536-N538 PolarHBondContact O-N 3.04Å; N536-N538 PolarHBondContact O-ND2 3.36Å; N536-N538 WeakPolarHBondContact OD1-CB 3.38Å; N536-N538 PolarHBondContact OD1-N 3.24Å
537	V	93.1	Very high	94.8	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.012	7%	0.065	C	C	.	.	S	Bend	trans	62.6	-3.6	178.5	-169.6	0	0	0	0	115.3	I303 L305 A490 Y493 Y496 I533 H534	I303-V537 HydrophobicContact CD1-CB 3.88Å; I303-V537 HydrophobicContact CD1-CG1 3.75Å; I303-V537 WeakPolarHBondContact CD1-O 3.26Å; L305-V537 HydrophobicContact CD2-CB 4.28Å; L305-V537 HydrophobicContact CD2-CG1 4.28Å; A490-V537 HydrophobicContact CB-CG1 3.91Å; A490-V537 HydrophobicContact CB-CG2 4.12Å; Y493-V537 HydrophobicContact CD2-CG2 3.96Å; Y496-V537 HydrophobicContact CD2-CG1 3.73Å; Y496-V537 HydrophobicContact CE2-CG1 4.32Å; I533-V537 HydrophobicContact CG2-CB 4.45Å; I533-V537 HydrophobicContact CG2-CG1 4.38Å; H534-V537 WeakPolarHBondContact O-CA 3.42Å; H534-V537 PolarHBondContact O-N 3.46Å
538	N	93.8	Very high	94.9	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.005	5%	0.051	C	C	.	.	S	Bend	trans	-87.5	-21.1	-174.8	-82.1	-81.3	0	0	0	114.3	P298 R302 N536 V554	P298-N538 HydrophobicContact CG-CB 4.38Å; P298-N538 WeakPolarHBondContact CG-ND2 3.38Å; R302-N538 VanDerWaalsContact CD-OD1 3.28Å; R302-N538 WeakPolarHBondContact CD-OD1 3.48Å; R302-N538 WeakPolarHBondContact CG-OD1 3.41Å; R302-N538 PolarHBondContact NH1-OD1 2.85Å; N536-N538 PolarHBondContact O-N 3.04Å; N536-N538 PolarHBondContact O-ND2 3.36Å; N536-N538 WeakPolarHBondContact OD1-CB 3.38Å; N536-N538 PolarHBondContact OD1-N 3.24Å; N538-V554 WeakPolarHBondContact O-CB 3.22Å; N538-V554 PolarHBondContact O-N 3.37Å
539	Y	94.8	Very high	94.9	Very high	7 Å²	7	7.8 Å²	7.8	3%	0.027	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	136.3	-179.9	-68.5	-82	0	0	0	111.4	V223 L224 H534 L551 F552 T560	V223-Y539 WeakPolarHBondContact CA-OH 3.43Å; V223-Y539 HydrophobicContact CB-CE1 4.41Å; V223-Y539 HydrophobicContact CG1-CD1 4.24Å; V223-Y539 HydrophobicContact CG1-CD2 4.28Å; V223-Y539 HydrophobicContact CG1-CE1 3.78Å; V223-Y539 HydrophobicContact CG1-CE2 3.86Å; V223-Y539 HydrophobicContact CG1-CG 4.47Å; V223-Y539 HydrophobicContact CG2-CE1 4.2Å; L224-Y539 HydrophobicContact CB-CE2 4.16Å; L224-Y539 PolarHBondContact N-OH 3.08Å; L224-Y539 VanDerWaalsContact O-CE2 3.22Å; L224-Y539 WeakPolarHBondContact O-CE2 3.42Å; H534-Y539 VanDerWaalsContact CB-O 3.23Å; H534-Y539 WeakPolarHBondContact CB-O 3.44Å; H534-Y539 PolarHBondContact N-O 3.49Å; Y539-L551 HydrophobicContact CD1-CD2 3.72Å; Y539-L551 HydrophobicContact CD1-CG 4Å; Y539-L551 HydrophobicContact CE1-CD2 4.36Å; Y539-L551 HydrophobicContact CG-CD2 4.22Å; Y539-L551 HydrophobicContact CG-CG 4.47Å; Y539-F552 WeakPolarHBondContact CA-O 3.31Å; Y539-T560 HydrophobicContact CE1-CG2 4.36Å
540	L	96.5	Very high	94.8	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	123.9	173.4	-174	75.4	0	0	0	109.8	A498 A506 F521 V531 I533 T542 L551 F552 V554	A498-L540 HydrophobicContact CB-CD1 3.52Å; A498-L540 HydrophobicContact CB-CD2 4.34Å; A506-L540 HydrophobicContact CB-CD2 4.32Å; F521-L540 HydrophobicContact CD2-CD2 3.4Å; F521-L540 VanDerWaalsContact CD2-CD2 3.4Å; F521-L540 HydrophobicContact CE2-CD2 3.27Å; F521-L540 HydrophobicContact CG-CD2 4.18Å; F521-L540 HydrophobicContact CZ-CD2 3.96Å; V531-L540 HydrophobicContact CG1-CD1 3.46Å; V531-L540 VanDerWaalsContact CG1-CD1 3.46Å; V531-L540 HydrophobicContact CG1-CD2 4.12Å; V531-L540 HydrophobicContact CG1-CG 3.98Å; I533-L540 HydrophobicContact CB-CD1 4.43Å; I533-L540 HydrophobicContact CD1-CD1 4.41Å; I533-L540 HydrophobicContact CG1-CD1 3.4Å; I533-L540 VanDerWaalsContact CG1-CD1 3.4Å; L540-T542 HydrophobicContact CD2-CG2 3.98Å; L540-T542 HydrophobicContact CG-CG2 4.22Å; L540-L551 CarbonylContact O-C 3.46Å; L540-L551 WeakPolarHBondContact O-CA 3.3Å; L540-F552 HydrophobicContact CB-CB 4.48Å; L540-F552 PolarHBondContact N-O 2.88Å; L540-F552 PolarHBondContact O-N 3.49Å; L540-V554 HydrophobicContact CB-CG2 4.21Å
541	A	97.5	Very high	94.9	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	137.2	169.1	0	0	0	0	0	110.8	V531 C532 R550 L551 L573 F575 L582	V531-A541 CarbonylContact C-O 3.55Å; V531-A541 WeakPolarHBondContact CA-O 3.33Å; C532-A541 PolarHBondContact N-O 2.93Å; C532-A541 PolarHBondContact O-N 3.33Å; A541-R550 CarbonylContact C-O 3.5Å; A541-R550 VanDerWaalsContact CA-O 3.26Å; A541-R550 WeakPolarHBondContact CA-O 3.31Å; A541-L551 HydrophobicContact CB-CD1 4Å; A541-L573 HydrophobicContact CB-CD1 4.01Å; A541-F575 HydrophobicContact CB-CE2 3.69Å; A541-F575 HydrophobicContact CB-CZ 3.54Å; A541-L582 HydrophobicContact CB-CD1 4.01Å; A541-L582 HydrophobicContact CB-CD2 3.92Å
542	T	97.9	Very high	94.8	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.006	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	135.6	177.4	61.9	0	0	0	0	110.1	A506 H524 V528 S530 V531 L540 V549 R550 F552	A506-T542 HydrophobicContact CB-CG2 3.78Å; H524-T542 PolarHBondContact NE2-OG1 3Å; V528-T542 HydrophobicContact CG1-CG2 4.46Å; S530-T542 CarbonylContact O-C 3.54Å; S530-T542 WeakPolarHBondContact O-CA 3.34Å; V531-T542 HydrophobicContact CG2-CG2 4.15Å; L540-T542 HydrophobicContact CD2-CG2 3.98Å; L540-T542 HydrophobicContact CG-CG2 4.22Å; T542-V549 CarbonylContact O-C 3.54Å; T542-V549 VanDerWaalsContact O-CA 3.27Å; T542-V549 WeakPolarHBondContact O-CA 3.46Å; T542-V549 WeakPolarHBondContact O-CG1 3.4Å; T542-R550 PolarHBondContact N-O 3.47Å; T542-R550 PolarHBondContact O-N 3.05Å; T542-F552 HydrophobicContact CG2-CD2 4.05Å; T542-F552 HydrophobicContact CG2-CE2 4.03Å; T542-F552 WeakPolarHBondContact OG1-CE2 3.41Å
543	G	96.9	Very high	94.8	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	142.3	175.7	0	0	0	0	0	109.1	T529 S530	T529-G543 PolarHBondContact N-O 3.45Å; T529-G543 PolarHBondContact OG1-O 2.74Å; T529-G543 VanDerWaalsContact OG1-O 3.08Å; S530-G543 PolarHBondContact N-O 2.9Å; S530-G543 PolarHBondContact O-N 2.78Å; S530-G543 WeakPolarHBondContact OG-CA 3.47Å
544	S	95.7	Very high	94.7	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	161.4	-172.1	172.3	0	0	0	0	113.2	H524 G526 D527 D546 R547 A548 V570	H524-S544 VanDerWaalsContact CE1-CB 3.41Å; H524-S544 WeakPolarHBondContact CE1-CB 3.23Å; H524-S544 WeakPolarHBondContact ND1-CB 3.48Å; G526-S544 PolarHBondContact O-OG 3.1Å; G526-S544 VanDerWaalsContact O-OG 3.04Å; D527-S544 CarbonylContact O-C 3.52Å; D527-S544 WeakPolarHBondContact O-CA 3.12Å; D527-S544 VanDerWaalsContact O-CB 3.23Å; D527-S544 WeakPolarHBondContact O-CB 3.06Å; D527-S544 PolarHBondContact O-OG 3.36Å; S544-D546 VanDerWaalsContact CB-OD1 3.23Å; S544-D546 WeakPolarHBondContact CB-OD1 3.45Å; S544-D546 PolarHBondContact O-N 2.94Å; S544-D546 PolarHBondContact OG-N 3.12Å; S544-D546 VanDerWaalsContact OG-N 3.11Å; S544-D546 PolarHBondContact OG-OD1 2.95Å; S544-R547 PolarHBondContact O-N 3.41Å; S544-A548 PolarHBondContact N-O 3.41Å; S544-V570 PolarHBondContact O-N 3.21Å
545	A	93.1	Very high	94.6	Very high	40 Å²	40	13.2 Å²	13.2	33%	0.331	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-17.5	166.4	0	0	0	0	0	113.6	D527 R547 S569	D527-A545 HydrophobicContact CB-CB 4.29Å; D527-A545 PolarHBondContact O-N 2.92Å; A545-R547 PolarHBondContact O-N 2.93Å; A545-R547 VanDerWaalsContact O-N 3.16Å; A545-S569 WeakPolarHBondContact CA-OG 3.39Å
546	D	91.1	Very high	94.6	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	0.6	169.8	72.4	9	0	0	0	114	L210 H524 K525 S544 A548 R550	L210-D546 PolarHBondContact N-O 3.35Å; L210-D546 VanDerWaalsContact N-O 3.17Å; H524-D546 WeakPolarHBondContact CA-OD2 3.48Å; H524-D546 IonicContact CE1-OD1 3.95Å; H524-D546 IonicContact CG-OD2 2.72Å; H524-D546 IonicContact ND1-OD1 2.91Å; H524-D546 PolarHBondContact ND1-OD1 2.84Å; H524-D546 IonicContact ND1-OD2 2.76Å; H524-D546 PolarHBondContact ND1-OD2 3.19Å; K525-D546 HydrophobicContact CB-CB 4.14Å; K525-D546 PolarHBondContact N-OD2 2.87Å; S544-D546 VanDerWaalsContact CB-OD1 3.23Å; S544-D546 WeakPolarHBondContact CB-OD1 3.45Å; S544-D546 PolarHBondContact O-N 2.94Å; S544-D546 PolarHBondContact OG-N 3.12Å; S544-D546 VanDerWaalsContact OG-N 3.11Å; S544-D546 PolarHBondContact OG-OD1 2.95Å; D546-A548 PolarHBondContact O-N 3.24Å; D546-A548 WeakPolarHBondContact OD1-CB 3.36Å; D546-A548 PolarHBondContact OD1-N 3.18Å; D546-R550 IonicContact OD2-NH2 2.71Å; D546-R550 PolarHBondContact OD2-NH2 3.29Å
547	R	92.8	Very high	94.7	Very high	11 Å²	11	16.2 Å²	16.2	4%	0.042	9%	0.09	C	C	.	.	S	Bend	trans	67.3	15.8	177.8	-36.4	163.2	176.1	-164	-8.2	113.1	F125 S128 D129 G208 S544 A545 H566 K567 G568	F125-R547 PolarHBondContact O-NH1 3.19Å; F125-R547 VanDerWaalsContact O-NH1 3.07Å; F125-R547 PolarHBondContact O-NH2 3.14Å; F125-R547 VanDerWaalsContact O-NH2 3.11Å; S128-R547 PolarHBondContact OG-NH2 2.98Å; S128-R547 VanDerWaalsContact OG-NH2 3.14Å; D129-R547 IonicContact OD1-CZ 3.47Å; D129-R547 IonicContact OD1-NH2 3.21Å; D129-R547 PolarHBondContact OD1-NH2 3.24Å; D129-R547 IonicContact OD2-CZ 3.49Å; D129-R547 VanDerWaalsContact OD2-CZ 3.24Å; D129-R547 IonicContact OD2-NH1 3.02Å; D129-R547 PolarHBondContact OD2-NH1 3.46Å; D129-R547 IonicContact OD2-NH2 2.85Å; D129-R547 PolarHBondContact OD2-NH2 3.27Å; G208-R547 WeakPolarHBondContact O-CD 3.42Å; G208-R547 PolarHBondContact O-NH1 2.94Å; G208-R547 VanDerWaalsContact O-NH1 3.13Å; S544-R547 PolarHBondContact O-N 3.41Å; A545-R547 PolarHBondContact O-N 2.93Å; A545-R547 VanDerWaalsContact O-N 3.16Å; R547-H566 HydrophobicContact CB-CB 4.41Å; R547-H566 WeakPolarHBondContact O-CB 3.36Å; R547-K567 PolarHBondContact NH1-O 2.78Å; R547-G568 WeakPolarHBondContact CB-O 3.46Å
548	A	94.2	Very high	94.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	154.6	172.3	0	0	0	0	0	111.3	A209 F211 S544 D546 Y563 T564	A209-A548 HydrophobicContact CB-CB 4.41Å; F211-A548 HydrophobicContact CE1-CB 3.6Å; F211-A548 HydrophobicContact CZ-CB 3.59Å; S544-A548 PolarHBondContact N-O 3.41Å; D546-A548 PolarHBondContact O-N 3.24Å; D546-A548 WeakPolarHBondContact OD1-CB 3.36Å; D546-A548 PolarHBondContact OD1-N 3.18Å; A548-Y563 WeakPolarHBondContact CA-O 3.27Å; A548-T564 HydrophobicContact CB-CG2 4.44Å
549	V	96.6	Very high	94.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	134.4	167.2	-178.1	0	0	0	0	108	T542 Y563 V570 L573 L582	T542-V549 CarbonylContact O-C 3.54Å; T542-V549 VanDerWaalsContact O-CA 3.27Å; T542-V549 WeakPolarHBondContact O-CA 3.46Å; T542-V549 WeakPolarHBondContact O-CG1 3.4Å; V549-Y563 HydrophobicContact CB-CD2 4.17Å; V549-Y563 HydrophobicContact CG1-CD2 4.11Å; V549-Y563 PolarHBondContact N-O 3.42Å; V549-Y563 PolarHBondContact O-N 3.31Å; V549-V570 HydrophobicContact CG2-CB 4.48Å; V549-V570 HydrophobicContact CG2-CG1 4.01Å; V549-V570 HydrophobicContact CG2-CG2 3.86Å; V549-L573 HydrophobicContact CB-CD2 4.5Å; V549-L573 HydrophobicContact CG1-CD1 4.27Å; V549-L573 HydrophobicContact CG1-CD2 3.71Å; V549-L573 HydrophobicContact CG2-CD2 3.92Å; V549-L582 HydrophobicContact CG1-CD2 3.76Å
550	R	96.3	Very high	94.6	Very high	16 Å²	16	24 Å²	24	6%	0.06	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	149.7	-179.1	-68	-176.2	-167.4	-161.4	10.6	110.4	G523 H524 A541 T542 D546 F552 L559 R561	G523-R550 VanDerWaalsContact C-CZ 3.4Å; G523-R550 VanDerWaalsContact CA-NH1 3.31Å; G523-R550 PolarHBondContact O-NH1 3.24Å; G523-R550 PolarHBondContact O-NH2 3.08Å; H524-R550 VanDerWaalsContact CE1-CD 3.49Å; H524-R550 WeakPolarHBondContact CE1-CD 3.46Å; H524-R550 PolarHBondContact ND1-NE 3.32Å; A541-R550 CarbonylContact C-O 3.5Å; A541-R550 VanDerWaalsContact CA-O 3.26Å; A541-R550 WeakPolarHBondContact CA-O 3.31Å; T542-R550 PolarHBondContact N-O 3.47Å; T542-R550 PolarHBondContact O-N 3.05Å; D546-R550 IonicContact OD2-NH2 2.71Å; D546-R550 PolarHBondContact OD2-NH2 3.29Å; R550-F552 HydrophobicContact CB-CD2 4.4Å; R550-F552 HydrophobicContact CB-CE2 3.73Å; R550-F552 HydrophobicContact CB-CZ 4.15Å; R550-L559 HydrophobicContact CB-CD1 3.61Å; R550-L559 HydrophobicContact CG-CD1 3.88Å; R550-R561 WeakPolarHBondContact CA-O 3.26Å
551	L	96.9	Very high	94.5	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.5	174	-164.5	76.8	0	0	0	109.1	V223 Y539 L540 A541 T560 R561 F575 L596	V223-L551 HydrophobicContact CG1-CD2 4.1Å; V223-L551 HydrophobicContact CG2-CD2 4.31Å; Y539-L551 HydrophobicContact CD1-CD2 3.72Å; Y539-L551 HydrophobicContact CD1-CG 4Å; Y539-L551 HydrophobicContact CE1-CD2 4.36Å; Y539-L551 HydrophobicContact CG-CD2 4.22Å; Y539-L551 HydrophobicContact CG-CG 4.47Å; L540-L551 CarbonylContact O-C 3.46Å; L540-L551 WeakPolarHBondContact O-CA 3.3Å; A541-L551 HydrophobicContact CB-CD1 4Å; L551-T560 PolarHBondContact O-N 3.22Å; L551-T560 PolarHBondContact O-OG1 3.4Å; L551-R561 HydrophobicContact CB-CB 3.68Å; L551-R561 HydrophobicContact CB-CG 4.13Å; L551-R561 HydrophobicContact CD2-CB 4.43Å; L551-R561 HydrophobicContact CD2-CG 3.94Å; L551-R561 PolarHBondContact N-O 3.08Å; L551-R561 PolarHBondContact O-N 3.02Å; L551-F575 HydrophobicContact CD1-CE1 4.27Å; L551-F575 HydrophobicContact CD1-CZ 3.75Å; L551-L596 HydrophobicContact CD1-CD2 4.43Å; L551-L596 HydrophobicContact CD2-CD2 4.13Å
552	F	96.3	Very high	94.4	Very high	3 Å²	3	25.1 Å²	25.1	1%	0.013	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	144.2	177.7	-63.6	-87	0	0	0	110.8	F521 Y539 L540 T542 R550 K558 L559	F521-F552 HydrophobicContact CB-CD1 4.08Å; F521-F552 HydrophobicContact CB-CD2 4.05Å; F521-F552 HydrophobicContact CB-CE1 4.11Å; F521-F552 HydrophobicContact CB-CE2 4.07Å; F521-F552 HydrophobicContact CB-CG 4.05Å; F521-F552 HydrophobicContact CB-CZ 4.11Å; F521-F552 HydrophobicContact CD1-CB 3.43Å; F521-F552 VanDerWaalsContact CD1-CB 3.43Å; F521-F552 AromaticContact CD1-CD1 3.78Å; F521-F552 HydrophobicContact CD1-CD1 3.78Å; F521-F552 HydrophobicContact CD1-CD2 4.27Å; F521-F552 AromaticContact CD1-CG 3.58Å; F521-F552 HydrophobicContact CD1-CG 3.58Å; F521-F552 HydrophobicContact CE1-CB 3.66Å; F521-F552 HydrophobicContact CE1-CG 4.33Å; F521-F552 HydrophobicContact CG-CB 4.2Å; F521-F552 HydrophobicContact CG-CD1 4.33Å; F521-F552 HydrophobicContact CG-CD2 4.28Å; F521-F552 HydrophobicContact CG-CG 4.03Å; Y539-F552 WeakPolarHBondContact CA-O 3.31Å; L540-F552 HydrophobicContact CB-CB 4.48Å; L540-F552 PolarHBondContact N-O 2.88Å; L540-F552 PolarHBondContact O-N 3.49Å; T542-F552 HydrophobicContact CG2-CD2 4.05Å; T542-F552 HydrophobicContact CG2-CE2 4.03Å; T542-F552 WeakPolarHBondContact OG1-CE2 3.41Å; R550-F552 HydrophobicContact CB-CD2 4.4Å; R550-F552 HydrophobicContact CB-CE2 3.73Å; R550-F552 HydrophobicContact CB-CZ 4.15Å; F552-K558 WeakPolarHBondContact CA-O 3.24Å; F552-L559 HydrophobicContact CD1-CB 4.15Å; F552-L559 HydrophobicContact CD1-CD1 4.2Å; F552-L559 HydrophobicContact CE1-CB 3.91Å; F552-L559 HydrophobicContact CE1-CD1 3.81Å; F552-L559 HydrophobicContact CE1-CG 4.42Å; F552-L559 HydrophobicContact CE2-CD1 4.38Å; F552-L559 HydrophobicContact CZ-CD1 3.92Å
553	D	95	Very high	94.2	Very high	11 Å²	11	25.2 Å²	25.2	6%	0.059	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	121.8	167.2	175.1	31.5	0	0	0	109.4	R302 R555 S556 G557 K558 T560	R302-D553 IonicContact CZ-OD1 3.02Å; R302-D553 VanDerWaalsContact CZ-OD1 3.24Å; R302-D553 IonicContact NH1-OD1 2.69Å; R302-D553 PolarHBondContact NH1-OD1 3.03Å; R302-D553 IonicContact NH2-OD1 3.31Å; R302-D553 PolarHBondContact NH2-OD1 3.5Å; R302-D553 IonicContact NH2-OD2 2.68Å; R302-D553 PolarHBondContact NH2-OD2 3.11Å; D553-R555 VanDerWaalsContact C-N 3.25Å; D553-R555 PolarHBondContact O-N 3.38Å; D553-R555 PolarHBondContact OD1-N 3.23Å; D553-S556 WeakPolarHBondContact CB-OG 3.41Å; D553-S556 WeakPolarHBondContact OD2-CB 3.29Å; D553-S556 PolarHBondContact OD2-N 3.36Å; D553-S556 PolarHBondContact OD2-OG 2.85Å; D553-G557 WeakPolarHBondContact O-CA 3.42Å; D553-G557 PolarHBondContact O-N 2.76Å; D553-K558 PolarHBondContact N-O 3.26Å; D553-T560 HydrophobicContact CB-CG2 3.88Å
554	V	94.4	Very high	94	Very high	13 Å²	13	25.6 Å²	25.6	8%	0.079	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-35.6	-176.1	165.9	0	0	0	0	111.8	L508 N538 L540	L508-V554 HydrophobicContact CD2-CG1 3.53Å; N538-V554 WeakPolarHBondContact O-CB 3.22Å; N538-V554 PolarHBondContact O-N 3.37Å; L540-V554 HydrophobicContact CB-CG2 4.21Å
555	R	91.9	Very high	93.6	Very high	142 Å²	142	25.6 Å²	25.6	54%	0.536	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-51.8	-177.5	-175	176.6	68.4	163	2.8	112.3	R302 I303 R519 D553	R302-R555 WeakPolarHBondContact O-CD 3.35Å; I303-R555 HydrophobicContact CG2-CB 4.2Å; R519-R555 PolarHBondContact NE-O 2.97Å; R519-R555 PolarHBondContact NH2-O 3Å; D553-R555 VanDerWaalsContact C-N 3.25Å; D553-R555 PolarHBondContact O-N 3.38Å; D553-R555 PolarHBondContact OD1-N 3.23Å
556	S	91.7	Very high	93.5	Very high	69 Å²	69	23.8 Å²	23.8	48%	0.483	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-19.9	-173.8	60.9	0	0	0	0	114.1	D553 K558	D553-S556 WeakPolarHBondContact CB-OG 3.41Å; D553-S556 WeakPolarHBondContact OD2-CB 3.29Å; D553-S556 PolarHBondContact OD2-N 3.36Å; D553-S556 PolarHBondContact OD2-OG 2.85Å; S556-K558 PolarHBondContact O-N 2.75Å; S556-K558 WeakPolarHBondContact OG-CB 3.49Å; S556-K558 PolarHBondContact OG-N 2.88Å
557	G	92	Very high	93.4	Very high	23 Å²	23	25.1 Å²	25.1	24%	0.237	13%	0.126	C	C	.	.			trans	74	-0	-169.3	0	0	0	0	0	113.8	D553	D553-G557 WeakPolarHBondContact O-CA 3.42Å; D553-G557 PolarHBondContact O-N 2.76Å
558	K	93.4	Very high	93.3	Very high	110 Å²	110	25.1 Å²	25.1	48%	0.478	13%	0.129	S	C	.	.			trans	-75.4	141.8	-174.3	-169.4	-176.7	178.2	-175.3	0	111.4	E221 F552 D553 S556 T560	E221-K558 IonicContact OE1-NZ 3.48Å; E221-K558 PolarHBondContact OE1-NZ 3.32Å; E221-K558 IonicContact OE2-NZ 3.16Å; F552-K558 WeakPolarHBondContact CA-O 3.24Å; D553-K558 PolarHBondContact N-O 3.26Å; S556-K558 PolarHBondContact O-N 2.75Å; S556-K558 WeakPolarHBondContact OG-CB 3.49Å; S556-K558 PolarHBondContact OG-N 2.88Å; K558-T560 PolarHBondContact O-N 2.68Å
559	L	94.1	Very high	93.2	Very high	53 Å²	53	26.1 Å²	26.1	28%	0.277	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	120.5	167.9	-178	62.2	0	0	0	110.6	R550 F552 R561 I562	R550-L559 HydrophobicContact CB-CD1 3.61Å; R550-L559 HydrophobicContact CG-CD1 3.88Å; F552-L559 HydrophobicContact CD1-CB 4.15Å; F552-L559 HydrophobicContact CD1-CD1 4.2Å; F552-L559 HydrophobicContact CE1-CB 3.91Å; F552-L559 HydrophobicContact CE1-CD1 3.81Å; F552-L559 HydrophobicContact CE1-CG 4.42Å; F552-L559 HydrophobicContact CE2-CD1 4.38Å; F552-L559 HydrophobicContact CZ-CD1 3.92Å; L559-R561 WeakPolarHBondContact CD1-O 3.38Å; L559-I562 HydrophobicContact CD1-CG1 4.14Å; L559-I562 HydrophobicContact CD2-CD1 3.59Å; L559-I562 HydrophobicContact CD2-CG1 3.67Å; L559-I562 HydrophobicContact CG-CD1 4.42Å; L559-I562 HydrophobicContact CG-CG1 4.02Å
560	T	93.4	Very high	93.2	Very high	10 Å²	10	26.1 Å²	26.1	6%	0.061	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	-27.8	-175.5	60.6	0	0	0	0	113.9	A218 Y539 L551 D553 K558	A218-T560 VanDerWaalsContact O-O 3.09Å; Y539-T560 HydrophobicContact CE1-CG2 4.36Å; L551-T560 PolarHBondContact O-N 3.22Å; L551-T560 PolarHBondContact O-OG1 3.4Å; D553-T560 HydrophobicContact CB-CG2 3.88Å; K558-T560 PolarHBondContact O-N 2.68Å
561	R	94.1	Very high	93.1	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.008	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	146.4	175.4	-61.7	-74.1	-177.5	-99.1	6.8	111.1	N219 E221 V223 R550 L551 L559 Y563 L596	N219-R561 PolarHBondContact O-NH1 3.33Å; N219-R561 PolarHBondContact O-NH2 3.01Å; N219-R561 WeakPolarHBondContact OD1-CA 3.47Å; E221-R561 PolarHBondContact O-NH1 3.47Å; E221-R561 PolarHBondContact O-NH2 2.81Å; V223-R561 HydrophobicContact CG2-CG 4.25Å; V223-R561 VanDerWaalsContact CG2-CZ 3.48Å; R550-R561 WeakPolarHBondContact CA-O 3.26Å; L551-R561 HydrophobicContact CB-CB 3.68Å; L551-R561 HydrophobicContact CB-CG 4.13Å; L551-R561 HydrophobicContact CD2-CB 4.43Å; L551-R561 HydrophobicContact CD2-CG 3.94Å; L551-R561 PolarHBondContact N-O 3.08Å; L551-R561 PolarHBondContact O-N 3.02Å; L559-R561 WeakPolarHBondContact CD1-O 3.38Å; R561-Y563 HydrophobicContact CB-CE1 4.33Å; R561-Y563 HydrophobicContact CB-CE2 4.01Å; R561-L596 PolarHBondContact NE-O 2.82Å; R561-L596 PolarHBondContact NH2-O 2.75Å
562	I	94.6	Very high	93	Very high	23 Å²	23	28.5 Å²	28.5	12%	0.118	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	119.8	167.5	-52	176.4	0	0	0	107.6	F211 A214 A218 N219 L559 T564	F211-I562 HydrophobicContact CE2-CG2 4.25Å; F211-I562 HydrophobicContact CZ-CG2 3.93Å; A214-I562 HydrophobicContact CB-CB 3.9Å; A214-I562 HydrophobicContact CB-CG2 3.97Å; A214-I562 WeakPolarHBondContact CB-O 3.29Å; A218-I562 HydrophobicContact CB-CD1 4.04Å; A218-I562 HydrophobicContact CB-CG1 4.3Å; N219-I562 PolarHBondContact ND2-O 3.43Å; N219-I562 PolarHBondContact OD1-N 3.41Å; N219-I562 PolarHBondContact OD1-O 2.91Å; L559-I562 HydrophobicContact CD1-CG1 4.14Å; L559-I562 HydrophobicContact CD2-CD1 3.59Å; L559-I562 HydrophobicContact CD2-CG1 3.67Å; L559-I562 HydrophobicContact CG-CD1 4.42Å; L559-I562 HydrophobicContact CG-CG1 4.02Å; I562-T564 HydrophobicContact CG2-CG2 4.17Å
563	Y	94	Very high	93.1	Very high	3 Å²	3	29.1 Å²	29.1	1%	0.012	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125.3	175	-58	-58.4	0	0	0	109.4	A548 V549 R561 L582 W594 L596	A548-Y563 WeakPolarHBondContact CA-O 3.27Å; V549-Y563 HydrophobicContact CB-CD2 4.17Å; V549-Y563 HydrophobicContact CG1-CD2 4.11Å; V549-Y563 PolarHBondContact N-O 3.42Å; V549-Y563 PolarHBondContact O-N 3.31Å; R561-Y563 HydrophobicContact CB-CE1 4.33Å; R561-Y563 HydrophobicContact CB-CE2 4.01Å; Y563-L582 HydrophobicContact CD2-CD2 4.2Å; Y563-L582 HydrophobicContact CE2-CD2 3.96Å; Y563-W594 HydrophobicContact CD1-CB 4.1Å; Y563-W594 AromaticContact CD1-CD2 3.83Å; Y563-W594 HydrophobicContact CD1-CD2 3.83Å; Y563-W594 AromaticContact CD1-CE3 3.42Å; Y563-W594 HydrophobicContact CD1-CE3 3.42Å; Y563-W594 VanDerWaalsContact CD1-CE3 3.42Å; Y563-W594 HydrophobicContact CD1-CG 4.11Å; Y563-W594 HydrophobicContact CD1-CZ3 4.14Å; Y563-W594 HydrophobicContact CD2-CB 4.34Å; Y563-W594 HydrophobicContact CD2-CD2 4.34Å; Y563-W594 HydrophobicContact CD2-CG 4.15Å; Y563-W594 HydrophobicContact CE1-CB 3.94Å; Y563-W594 HydrophobicContact CE1-CE3 4.26Å; Y563-W594 HydrophobicContact CE1-CG 4.43Å; Y563-W594 HydrophobicContact CE2-CB 4.19Å; Y563-W594 HydrophobicContact CE2-CG 4.48Å; Y563-W594 HydrophobicContact CG-CB 4.3Å; Y563-W594 AromaticContact CG-CD2 3.71Å; Y563-W594 HydrophobicContact CG-CD2 3.71Å; Y563-W594 AromaticContact CG-CE3 3.69Å; Y563-W594 HydrophobicContact CG-CE3 3.69Å; Y563-W594 AromaticContact CG-CG 3.96Å; Y563-W594 HydrophobicContact CG-CG 3.96Å; Y563-W594 HydrophobicContact CG-CZ3 4.3Å; Y563-L596 HydrophobicContact CE2-CD2 4.34Å; Y563-L596 VanDerWaalsContact OH-CD2 3.32Å; Y563-L596 WeakPolarHBondContact OH-CD2 3.45Å
564	T	92.5	Very high	93.1	Very high	7 Å²	7	29 Å²	29	4%	0.043	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	139	-179	48.7	0	0	0	0	107.6	C205 R206 A209 F211 A214 A548 I562	C205-T564 VanDerWaalsContact O-O 3.12Å; R206-T564 CarbonylContact O-C 3.58Å; R206-T564 WeakPolarHBondContact O-CB 3.49Å; R206-T564 PolarHBondContact O-OG1 3.04Å; A209-T564 HydrophobicContact CB-CG2 3.8Å; F211-T564 HydrophobicContact CE2-CG2 3.74Å; F211-T564 HydrophobicContact CZ-CG2 3.72Å; A214-T564 HydrophobicContact CB-CG2 4.15Å; A214-T564 PolarHBondContact N-OG1 2.78Å; A214-T564 VanDerWaalsContact N-OG1 3.13Å; A548-T564 HydrophobicContact CB-CG2 4.44Å; I562-T564 HydrophobicContact CG2-CG2 4.17Å
565	G	87.4	Confident	93	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.153	C	C	.	.			trans	156.8	-29.3	-175	0	0	0	0	0	113.5	C205 R206 R207 K567	C205-G565 WeakPolarHBondContact O-CA 3.46Å; R206-G565 PolarHBondContact O-N 3.08Å; R207-G565 CarbonylContact O-C 3.59Å; R207-G565 WeakPolarHBondContact O-CA 3.45Å; G565-K567 WeakPolarHBondContact O-CD 3.39Å; G565-K567 WeakPolarHBondContact O-CE 3.45Å; G565-K567 PolarHBondContact O-NZ 2.64Å
566	H	90.9	Very high	93	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.009	13%	0.129	C	C	.	.			trans	-62.9	139.5	174.3	-85.9	-70.5	0	0	0	111.5	G208 R547 V570 S584 C588 T590 C592	G208-H566 CarbonylContact C-O 3.32Å; R547-H566 HydrophobicContact CB-CB 4.41Å; R547-H566 WeakPolarHBondContact O-CB 3.36Å; H566-V570 HydrophobicContact CB-CG2 4.18Å; H566-S584 PolarHBondContact CD2-OG 3.34Å; H566-S584 PolarHBondContact CE1-O 3.1Å; H566-S584 VanDerWaalsContact CE1-O 3.3Å; H566-S584 PolarHBondContact NE2-O 2.94Å; H566-S584 PolarHBondContact NE2-OG 3.19Å; H566-C588 PolarHBondContact ND1-SG 2.72Å; H566-C588 VanDerWaalsContact ND1-SG 3.42Å; H566-T590 PolarHBondContact CE1-O 3.18Å; H566-C592 PolarHBondContact CE1-SG 3.09Å
567	K	90	Very high	92.7	Very high	30 Å²	30	21.4 Å²	21.4	13%	0.13	12%	0.119	C	C	.	.	S	Bend	trans	-98.8	-1.6	-176.9	-50.8	-52.5	179.3	-174.4	0	113.6	F125 D204 R207 R547 G565 C588	F125-K567 HydrophobicContact CB-CB 3.7Å; F125-K567 HydrophobicContact CB-CG 4.4Å; F125-K567 HydrophobicContact CD1-CD 4.16Å; F125-K567 HydrophobicContact CD1-CG 4.49Å; F125-K567 HydrophobicContact CD2-CB 4.45Å; F125-K567 HydrophobicContact CD2-CD 4.05Å; F125-K567 HydrophobicContact CE1-CD 4.34Å; F125-K567 HydrophobicContact CE2-CD 4.2Å; F125-K567 HydrophobicContact CG-CB 4.06Å; F125-K567 HydrophobicContact CG-CD 4.03Å; F125-K567 HydrophobicContact CG-CG 4.31Å; F125-K567 HydrophobicContact CZ-CD 4.37Å; D204-K567 WeakPolarHBondContact O-CE 3.43Å; D204-K567 PolarHBondContact O-NZ 3.43Å; R207-K567 PolarHBondContact O-NZ 2.86Å; R547-K567 PolarHBondContact NH1-O 2.78Å; G565-K567 WeakPolarHBondContact O-CD 3.39Å; G565-K567 WeakPolarHBondContact O-CE 3.45Å; G565-K567 PolarHBondContact O-NZ 2.64Å; K567-C588 HydrophobicContact CB-CB 3.79Å
568	G	89.9	Confident	92.2	Very high	10 Å²	10	22.1 Å²	22.1	10%	0.103	12%	0.12	C	C	.	.	S	Bend	trans	-152	173.5	-179.9	0	0	0	0	0	109.6	R547 V570	R547-G568 WeakPolarHBondContact CB-O 3.46Å; G568-V570 PolarHBondContact O-N 3.1Å
569	S	92.1	Very high	91.9	Very high	22 Å²	22	16.9 Å²	16.9	15%	0.154	10%	0.097	C	C	.	.			trans	-57	132.3	-178.6	164.2	0	0	0	0	110.7	A545 Q571 G586 W587	A545-S569 WeakPolarHBondContact CA-OG 3.39Å; S569-Q571 PolarHBondContact OG-NE2 3.19Å; S569-G586 VanDerWaalsContact O-CA 3.26Å; S569-G586 WeakPolarHBondContact O-CA 3.43Å; S569-W587 PolarHBondContact O-N 3.21Å
570	V	95.8	Very high	91.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	133.4	176.3	-178.1	0	0	0	0	107.3	T529 S544 V549 H566 G568 L573	T529-V570 WeakPolarHBondContact CB-O 3.32Å; T529-V570 PolarHBondContact OG1-O 3.35Å; S544-V570 PolarHBondContact O-N 3.21Å; V549-V570 HydrophobicContact CG2-CB 4.48Å; V549-V570 HydrophobicContact CG2-CG1 4.01Å; V549-V570 HydrophobicContact CG2-CG2 3.86Å; H566-V570 HydrophobicContact CB-CG2 4.18Å; G568-V570 PolarHBondContact O-N 3.1Å; V570-L573 HydrophobicContact CG1-CD2 4.11Å
571	Q	95	Very high	91.5	Very high	51 Å²	51	15.8 Å²	15.8	24%	0.238	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	-21.5	-178.2	-67.5	-62.8	-53.9	0	0	112.6	S530 S569 G585 W587	S530-Q571 WeakPolarHBondContact CB-O 3.2Å; S569-Q571 PolarHBondContact OG-NE2 3.19Å; Q571-G585 PolarHBondContact N-O 3.2Å; Q571-W587 VanDerWaalsContact CG-CD1 3.48Å; Q571-W587 HydrophobicContact CG-CG 4.38Å; Q571-W587 VanDerWaalsContact CG-NE1 3.32Å
572	T	95.4	Very high	91.5	Very high	15 Å²	15	15.7 Å²	15.7	9%	0.092	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	148.9	-175.2	-176.8	0	0	0	0	112	S584 G585 V639 V640 L642	T572-S584 WeakPolarHBondContact O-CA 3.49Å; T572-G585 PolarHBondContact N-O 3.04Å; T572-G585 VanDerWaalsContact N-O 3.12Å; T572-G585 PolarHBondContact O-N 3.17Å; T572-V639 HydrophobicContact CG2-CG1 3.99Å; T572-V640 VanDerWaalsContact CB-O 3.3Å; T572-V640 WeakPolarHBondContact CB-O 3.48Å; T572-L642 HydrophobicContact CG2-CB 4.27Å; T572-L642 HydrophobicContact CG2-CD1 3.71Å; T572-L642 HydrophobicContact CG2-CG 3.61Å; T572-L642 PolarHBondContact OG1-N 2.92Å
573	L	97	Very high	91.5	Very high	15 Å²	15	14.6 Å²	14.6	8%	0.079	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	141.5	-178.8	-67.2	178.5	0	0	0	109	C532 A541 V549 V570 L582 A583	C532-L573 HydrophobicContact CB-CB 3.86Å; A541-L573 HydrophobicContact CB-CD1 4.01Å; V549-L573 HydrophobicContact CB-CD2 4.5Å; V549-L573 HydrophobicContact CG1-CD1 4.27Å; V549-L573 HydrophobicContact CG1-CD2 3.71Å; V549-L573 HydrophobicContact CG2-CD2 3.92Å; V570-L573 HydrophobicContact CG1-CD2 4.11Å; L573-L582 HydrophobicContact CB-CD1 4.48Å; L573-L582 HydrophobicContact CD2-CD1 4.49Å; L573-A583 WeakPolarHBondContact CA-O 3.42Å
574	A	95.1	Very high	91.6	Very high	9 Å²	9	14.4 Å²	14.4	7%	0.074	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	133.6	171.8	0	0	0	0	0	110.3	A583 L642 F644	A574-A583 PolarHBondContact N-O 3.47Å; A574-A583 PolarHBondContact O-N 3.1Å; A574-L642 HydrophobicContact CB-CB 3.89Å; A574-F644 HydrophobicContact CB-CD2 3.91Å; A574-F644 HydrophobicContact CB-CE2 4.24Å; A574-F644 WeakPolarHBondContact O-CE2 3.43Å
575	F	93.6	Very high	91.6	Very high	18 Å²	18	14.1 Å²	14.1	8%	0.079	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	144.6	169.5	-78.2	-75.3	0	0	0	111.1	C532 H534 P535 A541 L551 L582 L596 F644	C532-F575 HydrophobicContact CB-CD2 4.24Å; C532-F575 HydrophobicContact CB-CE2 4.26Å; C532-F575 VanDerWaalsContact SG-CD2 3.58Å; H534-F575 VanDerWaalsContact CA-CD2 3.47Å; H534-F575 HydrophobicContact CB-CD1 4.47Å; H534-F575 HydrophobicContact CB-CD2 4.14Å; H534-F575 HydrophobicContact CB-CE1 4.18Å; H534-F575 HydrophobicContact CB-CE2 3.83Å; H534-F575 HydrophobicContact CB-CG 4.43Å; H534-F575 HydrophobicContact CB-CZ 3.84Å; H534-F575 AromaticContact CD2-CD1 3.58Å; H534-F575 AromaticContact CD2-CE1 3.62Å; P535-F575 HydrophobicContact CG-CB 4.27Å; A541-F575 HydrophobicContact CB-CE2 3.69Å; A541-F575 HydrophobicContact CB-CZ 3.54Å; L551-F575 HydrophobicContact CD1-CE1 4.27Å; L551-F575 HydrophobicContact CD1-CZ 3.75Å; F575-L582 HydrophobicContact CD1-CB 4.1Å; F575-L582 HydrophobicContact CD1-CD1 3.85Å; F575-L582 HydrophobicContact CD2-CD1 4.22Å; F575-L582 HydrophobicContact CE1-CB 4.02Å; F575-L582 HydrophobicContact CE1-CD1 3.77Å; F575-L582 HydrophobicContact CE1-CG 4.33Å; F575-L582 HydrophobicContact CE2-CD1 4.14Å; F575-L582 HydrophobicContact CG-CD1 4.09Å; F575-L582 HydrophobicContact CZ-CD1 3.95Å; F575-L596 HydrophobicContact CD1-CD1 4.1Å; F575-L596 HydrophobicContact CE1-CD1 3.67Å; F575-L596 HydrophobicContact CE1-CD2 4.07Å; F575-L596 HydrophobicContact CE1-CG 4.42Å; F575-F644 VanDerWaalsContact C-CD2 3.43Å; F575-F644 VanDerWaalsContact O-CD2 3.23Å; F575-F644 WeakPolarHBondContact O-CD2 3.45Å
576	S	90.4	Very high	91.8	Very high	6 Å²	6	14.1 Å²	14.1	4%	0.042	8%	0.08	C	C	.	.			trans	-66.4	145.2	168.7	66.3	0	0	0	0	110.6	C578 G579 Y581	S576-C578 PolarHBondContact O-N 2.91Å; S576-C578 VanDerWaalsContact O-N 3.13Å; S576-C578 PolarHBondContact OG-SG 2.94Å; S576-G579 PolarHBondContact O-N 3.48Å; S576-Y581 PolarHBondContact N-O 3.17Å; S576-Y581 PolarHBondContact OG-N 3.41Å; S576-Y581 VanDerWaalsContact OG-N 3.1Å; S576-Y581 PolarHBondContact OG-O 3.32Å; S576-Y581 VanDerWaalsContact OG-O 3.13Å
577	P	85.7	Confident	91.8	Very high	41 Å²	41	20.1 Å²	20.1	27%	0.266	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.3	178.2	-25.6	33.4	0	0	0	113.5	L227 G579 F644 C645	L227-P577 WeakPolarHBondContact CD1-O 3.21Å; L227-P577 WeakPolarHBondContact CD2-O 3.39Å; P577-G579 PolarHBondContact O-N 2.8Å; P577-F644 HydrophobicContact CG-CB 4.26Å; P577-C645 WeakPolarHBondContact CG-O 3.37Å
578	C	83.1	Confident	91.6	Very high	38 Å²	38	19.4 Å²	19.4	26%	0.257	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-5.9	174.2	75.1	0	0	0	0	114.3	S576 R580	S576-C578 PolarHBondContact O-N 2.91Å; S576-C578 VanDerWaalsContact O-N 3.13Å; S576-C578 PolarHBondContact OG-SG 2.94Å; C578-R580 PolarHBondContact O-N 2.89Å; C578-R580 VanDerWaalsContact O-N 3.08Å
579	G	87.1	Confident	91.4	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	78.6	-30.6	-177.7	0	0	0	0	0	115	H534 S576 P577 Y581 L596	H534-G579 PolarHBondContact CD2-O 3.03Å; H534-G579 VanDerWaalsContact NE2-C 3.3Å; H534-G579 WeakPolarHBondContact NE2-CA 3.41Å; H534-G579 PolarHBondContact NE2-O 3.23Å; S576-G579 PolarHBondContact O-N 3.48Å; P577-G579 PolarHBondContact O-N 2.8Å; G579-Y581 PolarHBondContact O-N 3.05Å; G579-L596 WeakPolarHBondContact O-CD1 3.41Å
580	R	88.2	Confident	91.1	Very high	31 Å²	31	18.4 Å²	18.4	12%	0.117	9%	0.092	C	C	.	.	S	Bend	trans	-64.8	-30.1	-170	-178	169.2	171.3	178.8	-7	116.3	Y225 C578 D595 L596	Y225-R580 HydrophobicContact CD2-CB 3.74Å; Y225-R580 HydrophobicContact CD2-CG 3.97Å; Y225-R580 HydrophobicContact CE2-CB 4.03Å; Y225-R580 HydrophobicContact CE2-CG 3.93Å; Y225-R580 HydrophobicContact CG-CB 4.48Å; C578-R580 PolarHBondContact O-N 2.89Å; C578-R580 VanDerWaalsContact O-N 3.08Å; R580-D595 IonicContact CZ-OD2 2.65Å; R580-D595 IonicContact NE-OD1 2.8Å; R580-D595 PolarHBondContact NE-OD1 3.33Å; R580-D595 IonicContact NE-OD2 3.4Å; R580-D595 PolarHBondContact NE-OD2 2.91Å; R580-D595 IonicContact NH2-OD2 3.44Å; R580-D595 PolarHBondContact NH2-OD2 3.15Å; R580-L596 WeakPolarHBondContact O-CB 3.39Å; R580-L596 VanDerWaalsContact O-CG 3.28Å; R580-L596 WeakPolarHBondContact O-CG 3.3Å; R580-L596 PolarHBondContact O-N 3.37Å
581	Y	89.9	Confident	90.9	Very high	8 Å²	8	18.4 Å²	18.4	3%	0.031	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	151.7	-170.1	-53.9	-80.3	0	0	0	112.4	S576 G579 W594 D595 V602 L692	S576-Y581 PolarHBondContact N-O 3.17Å; S576-Y581 PolarHBondContact OG-N 3.41Å; S576-Y581 VanDerWaalsContact OG-N 3.1Å; S576-Y581 PolarHBondContact OG-O 3.32Å; S576-Y581 VanDerWaalsContact OG-O 3.13Å; G579-Y581 PolarHBondContact O-N 3.05Å; Y581-W594 WeakPolarHBondContact CA-O 3.33Å; Y581-D595 HydrophobicContact CD1-CB 3.98Å; Y581-D595 HydrophobicContact CE1-CB 3.95Å; Y581-V602 HydrophobicContact CE1-CG2 4.49Å; Y581-L692 HydrophobicContact CD1-CD2 3.85Å; Y581-L692 HydrophobicContact CD2-CD2 4.01Å; Y581-L692 HydrophobicContact CE1-CD2 3.57Å; Y581-L692 HydrophobicContact CE2-CD2 3.75Å; Y581-L692 HydrophobicContact CG-CD2 4.06Å
582	L	94	Very high	90.7	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	131.6	174.5	175.3	68.8	0	0	0	109.1	A541 V549 Y563 L573 F575 W594 L596	A541-L582 HydrophobicContact CB-CD1 4.01Å; A541-L582 HydrophobicContact CB-CD2 3.92Å; V549-L582 HydrophobicContact CG1-CD2 3.76Å; Y563-L582 HydrophobicContact CD2-CD2 4.2Å; Y563-L582 HydrophobicContact CE2-CD2 3.96Å; L573-L582 HydrophobicContact CB-CD1 4.48Å; L573-L582 HydrophobicContact CD2-CD1 4.49Å; F575-L582 HydrophobicContact CD1-CB 4.1Å; F575-L582 HydrophobicContact CD1-CD1 3.85Å; F575-L582 HydrophobicContact CD2-CD1 4.22Å; F575-L582 HydrophobicContact CE1-CB 4.02Å; F575-L582 HydrophobicContact CE1-CD1 3.77Å; F575-L582 HydrophobicContact CE1-CG 4.33Å; F575-L582 HydrophobicContact CE2-CD1 4.14Å; F575-L582 HydrophobicContact CG-CD1 4.09Å; F575-L582 HydrophobicContact CZ-CD1 3.95Å; L582-W594 HydrophobicContact CB-CB 4.38Å; L582-W594 PolarHBondContact N-O 3.32Å; L582-W594 VanDerWaalsContact O-CD1 3.31Å; L582-W594 PolarHBondContact O-N 2.91Å; L582-L596 HydrophobicContact CB-CD2 4.01Å
583	A	94.5	Very high	90.6	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	145.1	168.8	0	0	0	0	0	110.2	L573 A574 C592 L593 L642 F644 L652	L573-A583 WeakPolarHBondContact CA-O 3.42Å; A574-A583 PolarHBondContact N-O 3.47Å; A574-A583 PolarHBondContact O-N 3.1Å; A583-C592 CarbonylContact C-O 3.5Å; A583-C592 WeakPolarHBondContact CA-O 3.3Å; A583-L593 HydrophobicContact CB-CD2 3.75Å; A583-L642 HydrophobicContact CB-CD1 4.14Å; A583-F644 HydrophobicContact CB-CE2 3.48Å; A583-F644 VanDerWaalsContact CB-CE2 3.48Å; A583-F644 HydrophobicContact CB-CZ 3.67Å; A583-L652 HydrophobicContact CB-CD1 4.07Å; A583-L652 HydrophobicContact CB-CD2 3.74Å
584	S	95.6	Very high	90.3	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	140.2	173.5	61.4	0	0	0	0	112.4	H566 T572 T591 C592 W594	H566-S584 PolarHBondContact CD2-OG 3.34Å; H566-S584 PolarHBondContact CE1-O 3.1Å; H566-S584 VanDerWaalsContact CE1-O 3.3Å; H566-S584 PolarHBondContact NE2-O 2.94Å; H566-S584 PolarHBondContact NE2-OG 3.19Å; T572-S584 WeakPolarHBondContact O-CA 3.49Å; S584-T591 CarbonylContact O-C 3.52Å; S584-T591 WeakPolarHBondContact O-CA 3.18Å; S584-C592 PolarHBondContact N-O 2.94Å; S584-C592 PolarHBondContact O-N 3.21Å; S584-W594 PolarHBondContact OG-NE1 3.05Å
585	G	93	Very high	90	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	157.8	-178.3	0	0	0	0	0	111	Q571 T572	Q571-G585 PolarHBondContact N-O 3.2Å; T572-G585 PolarHBondContact N-O 3.04Å; T572-G585 VanDerWaalsContact N-O 3.12Å; T572-G585 PolarHBondContact O-N 3.17Å
586	G	91.8	Very high	89.9	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	-160.3	-178.7	0	0	0	0	0	114.5	S569 C588 G589 V639	S569-G586 VanDerWaalsContact O-CA 3.26Å; S569-G586 WeakPolarHBondContact O-CA 3.43Å; G586-C588 PolarHBondContact O-N 2.88Å; G586-G589 PolarHBondContact O-N 2.85Å; G586-G589 VanDerWaalsContact O-N 3.08Å; G586-V639 PolarHBondContact N-O 3.29Å; G586-V639 PolarHBondContact O-N 2.83Å
587	W	90	Very high	89.7	Confident	128 Å²	128	14.4 Å²	14.4	49%	0.485	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-18.2	-173.7	-72.3	96.6	0	0	0	115.1	S569 Q571 G589 P638 L657	S569-W587 PolarHBondContact O-N 3.21Å; Q571-W587 VanDerWaalsContact CG-CD1 3.48Å; Q571-W587 HydrophobicContact CG-CG 4.38Å; Q571-W587 VanDerWaalsContact CG-NE1 3.32Å; W587-G589 PolarHBondContact O-N 3.35Å; W587-P638 HydrophobicContact CD2-CB 4.18Å; W587-P638 HydrophobicContact CD2-CG 4.38Å; W587-P638 HydrophobicContact CE3-CB 3.59Å; W587-P638 HydrophobicContact CE3-CG 3.37Å; W587-P638 HydrophobicContact CZ3-CB 3.87Å; W587-P638 HydrophobicContact CZ3-CG 3.55Å; W587-L657 HydrophobicContact CH2-CD1 3.76Å; W587-L657 HydrophobicContact CZ3-CD1 4.03Å
588	C	86	Confident	89.6	Confident	16 Å²	16	14 Å²	14	11%	0.108	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-4.9	174.4	57.9	0	0	0	0	113.6	H566 K567 G586 T590	H566-C588 PolarHBondContact ND1-SG 2.72Å; H566-C588 VanDerWaalsContact ND1-SG 3.42Å; K567-C588 HydrophobicContact CB-CB 3.79Å; G586-C588 PolarHBondContact O-N 2.88Å; C588-T590 PolarHBondContact O-N 3.39Å; C588-T590 PolarHBondContact SG-OG1 3.18Å
589	G	85.4	Confident	89.7	Confident	2 Å²	2	12.4 Å²	12.4	2%	0.021	6%	0.064	C	C	.	.	S	Bend	trans	72.8	-1.9	-178.1	0	0	0	0	0	114.8	G586 W587 T636 G637	G586-G589 PolarHBondContact O-N 2.85Å; G586-G589 VanDerWaalsContact O-N 3.08Å; W587-G589 PolarHBondContact O-N 3.35Å; G589-T636 WeakPolarHBondContact O-CB 3.29Å; G589-T636 PolarHBondContact O-OG1 3.01Å; G589-G637 WeakPolarHBondContact CA-O 3.32Å
590	T	87.8	Confident	89.5	Confident	8 Å²	8	14.3 Å²	14.3	5%	0.049	7%	0.073	C	C	.	.			trans	-91.1	136.6	179.3	72.1	0	0	0	0	110.9	H566 C588 Q604	H566-T590 PolarHBondContact CE1-O 3.18Å; C588-T590 PolarHBondContact O-N 3.39Å; C588-T590 PolarHBondContact SG-OG1 3.18Å; T590-Q604 HydrophobicContact CG2-CG 4.19Å; T590-Q604 PolarHBondContact OG1-NE2 3.15Å
591	T	90.9	Very high	89.4	Confident	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	111.3	168.4	-58	0	0	0	0	109	S584 L605 L642 L652	S584-T591 CarbonylContact O-C 3.52Å; S584-T591 WeakPolarHBondContact O-CA 3.18Å; T591-L605 PolarHBondContact N-O 3.44Å; T591-L605 PolarHBondContact O-N 2.89Å; T591-L642 HydrophobicContact CG2-CD1 4.33Å; T591-L642 HydrophobicContact CG2-CD2 3.84Å; T591-L652 HydrophobicContact CG2-CD2 3.65Å
592	C	90.9	Very high	89.1	Confident	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	138.4	-179.8	-61.2	0	0	0	0	110.6	H566 A583 S584 W594 Q601	H566-C592 PolarHBondContact CE1-SG 3.09Å; A583-C592 CarbonylContact C-O 3.5Å; A583-C592 WeakPolarHBondContact CA-O 3.3Å; S584-C592 PolarHBondContact N-O 2.94Å; S584-C592 PolarHBondContact O-N 3.21Å; C592-W594 HydrophobicContact CB-CH2 4.38Å; C592-W594 HydrophobicContact CB-CZ2 3.47Å; C592-W594 VanDerWaalsContact CB-CZ2 3.47Å; C592-Q601 PolarHBondContact SG-NE2 3.33Å; C592-Q601 VanDerWaalsContact SG-NE2 3.43Å
593	L	91.9	Very high	88.5	Confident	4 Å²	4	13 Å²	13	2%	0.021	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129.8	175	-63.1	175.6	0	0	0	110.4	A583 Q601 V602 G603 L605 F644 L652 T666 L691	A583-L593 HydrophobicContact CB-CD2 3.75Å; L593-Q601 CarbonylContact O-C 3.59Å; L593-Q601 WeakPolarHBondContact O-CA 3.45Å; L593-V602 PolarHBondContact O-N 2.72Å; L593-G603 PolarHBondContact N-O 2.83Å; L593-L605 HydrophobicContact CD1-CD1 4.14Å; L593-F644 HydrophobicContact CD2-CZ 4.19Å; L593-L652 HydrophobicContact CD2-CD2 3.88Å; L593-T666 HydrophobicContact CD1-CG2 3.63Å; L593-T666 HydrophobicContact CD2-CG2 4.49Å; L593-L691 HydrophobicContact CD1-CD2 4Å
594	W	91.6	Very high	88	Confident	6 Å²	6	14.1 Å²	14.1	2%	0.023	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	136	-177.2	-45.5	93.1	0	0	0	110.5	Y563 Y581 L582 S584 C592 Q601	Y563-W594 HydrophobicContact CD1-CB 4.1Å; Y563-W594 AromaticContact CD1-CD2 3.83Å; Y563-W594 HydrophobicContact CD1-CD2 3.83Å; Y563-W594 AromaticContact CD1-CE3 3.42Å; Y563-W594 HydrophobicContact CD1-CE3 3.42Å; Y563-W594 VanDerWaalsContact CD1-CE3 3.42Å; Y563-W594 HydrophobicContact CD1-CG 4.11Å; Y563-W594 HydrophobicContact CD1-CZ3 4.14Å; Y563-W594 HydrophobicContact CD2-CB 4.34Å; Y563-W594 HydrophobicContact CD2-CD2 4.34Å; Y563-W594 HydrophobicContact CD2-CG 4.15Å; Y563-W594 HydrophobicContact CE1-CB 3.94Å; Y563-W594 HydrophobicContact CE1-CE3 4.26Å; Y563-W594 HydrophobicContact CE1-CG 4.43Å; Y563-W594 HydrophobicContact CE2-CB 4.19Å; Y563-W594 HydrophobicContact CE2-CG 4.48Å; Y563-W594 HydrophobicContact CG-CB 4.3Å; Y563-W594 AromaticContact CG-CD2 3.71Å; Y563-W594 HydrophobicContact CG-CD2 3.71Å; Y563-W594 AromaticContact CG-CE3 3.69Å; Y563-W594 HydrophobicContact CG-CE3 3.69Å; Y563-W594 AromaticContact CG-CG 3.96Å; Y563-W594 HydrophobicContact CG-CG 3.96Å; Y563-W594 HydrophobicContact CG-CZ3 4.3Å; Y581-W594 WeakPolarHBondContact CA-O 3.33Å; L582-W594 HydrophobicContact CB-CB 4.38Å; L582-W594 PolarHBondContact N-O 3.32Å; L582-W594 VanDerWaalsContact O-CD1 3.31Å; L582-W594 PolarHBondContact O-N 2.91Å; S584-W594 PolarHBondContact OG-NE1 3.05Å; C592-W594 HydrophobicContact CB-CH2 4.38Å; C592-W594 HydrophobicContact CB-CZ2 3.47Å; C592-W594 VanDerWaalsContact CB-CZ2 3.47Å; W594-Q601 HydrophobicContact CE3-CB 3.71Å; W594-Q601 HydrophobicContact CE3-CG 4.03Å; W594-Q601 HydrophobicContact CH2-CB 4.19Å; W594-Q601 HydrophobicContact CH2-CG 4.09Å; W594-Q601 HydrophobicContact CZ3-CB 3.48Å; W594-Q601 VanDerWaalsContact CZ3-CB 3.48Å; W594-Q601 HydrophobicContact CZ3-CG 3.83Å
595	D	89.7	Confident	87.4	Confident	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	120.3	169.8	-174.6	-16.3	0	0	0	109	R580 Y581 G597 S598 G599 Q600 V602 H695	R580-D595 IonicContact CZ-OD2 2.65Å; R580-D595 IonicContact NE-OD1 2.8Å; R580-D595 PolarHBondContact NE-OD1 3.33Å; R580-D595 IonicContact NE-OD2 3.4Å; R580-D595 PolarHBondContact NE-OD2 2.91Å; R580-D595 IonicContact NH2-OD2 3.44Å; R580-D595 PolarHBondContact NH2-OD2 3.15Å; Y581-D595 HydrophobicContact CD1-CB 3.98Å; Y581-D595 HydrophobicContact CE1-CB 3.95Å; D595-G597 PolarHBondContact O-N 3.44Å; D595-G597 PolarHBondContact OD1-N 3.16Å; D595-S598 WeakPolarHBondContact CB-OG 3.25Å; D595-G599 WeakPolarHBondContact O-CA 3.4Å; D595-G599 PolarHBondContact O-N 3.21Å; D595-Q600 PolarHBondContact N-O 2.92Å; D595-V602 HydrophobicContact CB-CG2 3.65Å; D595-H695 IonicContact OD2-CE1 3.18Å; D595-H695 PolarHBondContact OD2-CE1 3.15Å; D595-H695 IonicContact OD2-ND1 2.93Å; D595-H695 PolarHBondContact OD2-ND1 3.3Å
596	L	90.7	Very high	86.7	Confident	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-32.2	-179.5	-59.1	-178	0	0	0	112.1	V223 L551 R561 Y563 F575 G579 R580 L582	V223-L596 HydrophobicContact CG1-CB 4.2Å; L551-L596 HydrophobicContact CD1-CD2 4.43Å; L551-L596 HydrophobicContact CD2-CD2 4.13Å; R561-L596 PolarHBondContact NE-O 2.82Å; R561-L596 PolarHBondContact NH2-O 2.75Å; Y563-L596 HydrophobicContact CE2-CD2 4.34Å; Y563-L596 VanDerWaalsContact OH-CD2 3.32Å; Y563-L596 WeakPolarHBondContact OH-CD2 3.45Å; F575-L596 HydrophobicContact CD1-CD1 4.1Å; F575-L596 HydrophobicContact CE1-CD1 3.67Å; F575-L596 HydrophobicContact CE1-CD2 4.07Å; F575-L596 HydrophobicContact CE1-CG 4.42Å; G579-L596 WeakPolarHBondContact O-CD1 3.41Å; R580-L596 WeakPolarHBondContact O-CB 3.39Å; R580-L596 VanDerWaalsContact O-CG 3.28Å; R580-L596 WeakPolarHBondContact O-CG 3.3Å; R580-L596 PolarHBondContact O-N 3.37Å; L582-L596 HydrophobicContact CB-CD2 4.01Å
597	G	86.3	Confident	85.5	Confident	20 Å²	20	15.6 Å²	15.6	21%	0.206	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-45	-178.3	0	0	0	0	0	112.8	D595	D595-G597 PolarHBondContact O-N 3.44Å; D595-G597 PolarHBondContact OD1-N 3.16Å
598	S	82.9	Confident	83.8	Confident	33 Å²	33	15.9 Å²	15.9	23%	0.231	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-22.1	178.6	63.2	0	0	0	0	113.5	D595 Q600 H695	D595-S598 WeakPolarHBondContact CB-OG 3.25Å; S598-Q600 VanDerWaalsContact C-N 3.27Å; S598-Q600 PolarHBondContact O-N 3.47Å; S598-Q600 PolarHBondContact OG-N 3.29Å; S598-H695 PolarHBondContact OG-CE1 2.98Å
599	G	85.7	Confident	81.7	Confident	5 Å²	5	20.1 Å²	20.1	5%	0.052	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	22.7	-174.3	0	0	0	0	0	113.6	N219 D595	N219-G599 PolarHBondContact ND2-O 3.48Å; D595-G599 WeakPolarHBondContact O-CA 3.4Å; D595-G599 PolarHBondContact O-N 3.21Å
600	Q	83.4	Confident	79.3	Confident	39 Å²	39	22.5 Å²	22.5	18%	0.182	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	158.3	-176.6	-64.6	-178.4	0.2	0	0	112	D595 S598 Y723	D595-Q600 PolarHBondContact N-O 2.92Å; S598-Q600 VanDerWaalsContact C-N 3.27Å; S598-Q600 PolarHBondContact O-N 3.47Å; S598-Q600 PolarHBondContact OG-N 3.29Å; Q600-Y723 PolarHBondContact NE2-O 3.16Å
601	Q	86.2	Confident	76.6	Confident	11 Å²	11	27.1 Å²	27.1	5%	0.051	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	123.6	169.5	-163.4	176.1	-12.1	0	0	109.7	C205 C592 L593 W594 G603 S726	C205-Q601 PolarHBondContact O-OE1 2.91Å; C592-Q601 PolarHBondContact SG-NE2 3.33Å; C592-Q601 VanDerWaalsContact SG-NE2 3.43Å; L593-Q601 CarbonylContact O-C 3.59Å; L593-Q601 WeakPolarHBondContact O-CA 3.45Å; W594-Q601 HydrophobicContact CE3-CB 3.71Å; W594-Q601 HydrophobicContact CE3-CG 4.03Å; W594-Q601 HydrophobicContact CH2-CB 4.19Å; W594-Q601 HydrophobicContact CH2-CG 4.09Å; W594-Q601 HydrophobicContact CZ3-CB 3.48Å; W594-Q601 VanDerWaalsContact CZ3-CB 3.48Å; W594-Q601 HydrophobicContact CZ3-CG 3.83Å; Q601-G603 PolarHBondContact NE2-O 2.77Å; Q601-S726 WeakPolarHBondContact O-CB 2.98Å; Q601-S726 PolarHBondContact O-OG 3.02Å
602	V	83.6	Confident	73.6	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-37.7	177.4	-169.8	0	0	0	0	110.6	Y581 L593 D595 L691 H695 A727	Y581-V602 HydrophobicContact CE1-CG2 4.49Å; L593-V602 PolarHBondContact O-N 2.72Å; D595-V602 HydrophobicContact CB-CG2 3.65Å; V602-L691 HydrophobicContact CB-CD2 4.17Å; V602-L691 HydrophobicContact CG1-CD2 3.47Å; V602-L691 VanDerWaalsContact CG1-CD2 3.47Å; V602-L691 HydrophobicContact CG1-CG 4.26Å; V602-H695 HydrophobicContact CG1-CB 3.92Å; V602-A727 PolarHBondContact O-N 2.74Å; V602-A727 VanDerWaalsContact O-N 3.14Å
603	G	79.9	Confident	70.6	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	171.4	174.9	0	0	0	0	0	114.6	L593 Q601 A727	L593-G603 PolarHBondContact N-O 2.83Å; Q601-G603 PolarHBondContact NE2-O 2.77Å; G603-A727 CarbonylContact C-O 3.55Å; G603-A727 WeakPolarHBondContact CA-O 3.41Å
604	Q	84.5	Confident	67.7	Low	23 Å²	23	44.8 Å²	44.8	11%	0.107	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	128.9	176.7	-165.3	168.9	17.6	0	0	108.8	T590 A727 T728	T590-Q604 HydrophobicContact CG2-CG 4.19Å; T590-Q604 PolarHBondContact OG1-NE2 3.15Å; Q604-A727 PolarHBondContact N-O 3.19Å; Q604-A727 VanDerWaalsContact N-O 3.1Å; Q604-T728 HydrophobicContact CB-CG2 3.37Å
605	L	83.4	Confident	64.8	Low	0 Å²	0	50.4 Å²	50.4	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.7	-177.5	-52.8	174.6	0	0	0	108.8	T591 L593 W664 T666 C736	T591-L605 PolarHBondContact N-O 3.44Å; T591-L605 PolarHBondContact O-N 2.89Å; L593-L605 HydrophobicContact CD1-CD1 4.14Å; L605-W664 HydrophobicContact CB-CD2 3.97Å; L605-W664 HydrophobicContact CB-CE3 3.95Å; L605-W664 HydrophobicContact CB-CH2 4.23Å; L605-W664 HydrophobicContact CB-CZ2 4.25Å; L605-W664 HydrophobicContact CB-CZ3 4.1Å; L605-W664 HydrophobicContact CD1-CB 3.73Å; L605-W664 HydrophobicContact CD1-CD2 3.9Å; L605-W664 HydrophobicContact CD1-CE3 4.22Å; L605-W664 HydrophobicContact CD1-CG 3.69Å; L605-W664 HydrophobicContact CD2-CE3 4.44Å; L605-W664 HydrophobicContact CG-CD2 4.47Å; L605-W664 HydrophobicContact CG-CE3 4.44Å; L605-T666 HydrophobicContact CD1-CG2 4.41Å; L605-C736 HydrophobicContact CD2-CB 3.68Å; L605-C736 VanDerWaalsContact CD2-SG 3.53Å
606	G	78	Confident	62	Low	20 Å²	20	57.5 Å²	57.5	21%	0.206	34%	0.339	C	S	.	.			trans	74.7	-175.2	-176.5	0	0	0	0	0	114.1
607	G	66.5	Low	59.2	Low	10 Å²	10	64.8 Å²	64.8	10%	0.103	37%	0.373	C	S	.	.			trans	134.6	156.2	174.8	0	0	0	0	0	115.6	S609 T636	G607-S609 PolarHBondContact O-N 3.06Å; G607-S609 VanDerWaalsContact O-N 3.08Å; G607-T636 WeakPolarHBondContact CA-OG1 3.48Å; G607-T636 PolarHBondContact N-OG1 2.86Å
608	Y	54.8	Low	56.6	Low	135 Å²	135	70 Å²	70	53%	0.529	40%	0.404	S	S	.	.	S	Bend	trans	-66.4	0.5	171.1	-85.6	-88.2	0	0	0	114.8	A610 L635 T636	Y608-A610 PolarHBondContact O-N 2.96Å; Y608-L635 HydrophobicContact CD1-CD1 4.18Å; Y608-L635 HydrophobicContact CD1-CG 4.14Å; Y608-L635 HydrophobicContact CE1-CD1 4.09Å; Y608-L635 HydrophobicContact CE1-CD2 3.74Å; Y608-L635 HydrophobicContact CE1-CG 3.65Å; Y608-T636 WeakPolarHBondContact CE2-O 3.25Å
609	S	41.8	Very low	54.4	Low	104 Å²	104	72.9 Å²	72.9	73%	0.727	42%	0.424	S	S	*	.			trans	-93	25.3	-172.3	-160	0	0	0	0	114.7	G607 S611	G607-S609 PolarHBondContact O-N 3.06Å; G607-S609 VanDerWaalsContact O-N 3.08Å; S609-S611 PolarHBondContact O-N 2.79Å
610	A	34.2	Very low	51.8	Low	52 Å²	52	79.7 Å²	79.7	43%	0.43	46%	0.459	S	S	.	.			trans	-75	80.1	158.3	0	0	0	0	0	108.1	Y608 R612	Y608-A610 PolarHBondContact O-N 2.96Å; A610-R612 PolarHBondContact O-N 3.29Å
611	S	32.2	Very low	49.7	Very low	106 Å²	106	85.4 Å²	85.4	74%	0.741	49%	0.491	S	S	*	.			trans	-55.1	111.6	178.5	177.6	0	0	0	0	110.2	S609 A613	S609-S611 PolarHBondContact O-N 2.79Å; S611-A613 PolarHBondContact O-N 3.47Å; S611-A613 VanDerWaalsContact O-N 3.16Å
612	R	27.8	Very low	47.1	Very low	204 Å²	204	94.5 Å²	94.5	77%	0.77	53%	0.531	S	S	*	.			trans	-63.9	104.6	153.9	-171.4	177.3	-174.5	179.7	1.8	106.5	A610 P614	A610-R612 PolarHBondContact O-N 3.29Å; R612-P614 WeakPolarHBondContact O-CD 3.42Å
613	A	27.6	Very low	44.8	Very low	71 Å²	71	101.7 Å²	101.7	59%	0.587	57%	0.569	S	S	*	*			trans	-60.4	124.7	151	0	0	0	0	0	106.2	S611 V615	S611-A613 PolarHBondContact O-N 3.47Å; S611-A613 VanDerWaalsContact O-N 3.16Å; A613-V615 PolarHBondContact O-N 3.07Å
614	P	30.8	Very low	42.6	Very low	99 Å²	99	106.9 Å²	106.9	64%	0.643	61%	0.605	S	S	*	*			trans	-64.4	110.8	170.3	25.9	-30.1	0	0	0	107.4	R612 N616	R612-P614 WeakPolarHBondContact O-CD 3.42Å; P614-N616 PolarHBondContact O-N 3.15Å
615	V	30.1	Very low	40.1	Very low	124 Å²	124	115 Å²	115	75%	0.752	64%	0.644	S	S	*	*			trans	-67.9	87.7	163.7	179.6	0	0	0	0	106.4	A613 Q617	A613-V615 PolarHBondContact O-N 3.07Å; V615-Q617 HydrophobicContact CG1-CB 4.11Å; V615-Q617 HydrophobicContact CG1-CG 4.37Å; V615-Q617 PolarHBondContact O-N 2.93Å
616	N	31.3	Very low	37.6	Very low	149 Å²	149	123.6 Å²	123.6	80%	0.797	68%	0.684	S	S	*	*			trans	-79.4	78.4	159.8	-81.8	-11.3	0	0	0	107.3	P614	P614-N616 PolarHBondContact O-N 3.15Å
617	Q	32.6	Very low	35.2	Very low	153 Å²	153	127.4 Å²	127.4	72%	0.715	71%	0.713	S	S	*	*			trans	-116	113.2	155.7	-82.5	-170.5	-8.2	0	0	107.7	V615 S619	V615-Q617 HydrophobicContact CG1-CB 4.11Å; V615-Q617 HydrophobicContact CG1-CG 4.37Å; V615-Q617 PolarHBondContact O-N 2.93Å; Q617-S619 VanDerWaalsContact C-N 3.34Å; Q617-S619 PolarHBondContact O-N 2.74Å; Q617-S619 VanDerWaalsContact O-N 3.14Å
618	P	30.9	Very low	33.4	Very low	131 Å²	131	133.8 Å²	133.8	85%	0.851	75%	0.745	S	S	*	*			trans	-79.3	91.1	166.2	32.2	-25.6	0	0	0	106.5
619	S	37.4	Very low	32.2	Very low	93 Å²	93	132 Å²	132	65%	0.65	75%	0.752	S	S	*	*			trans	-105.1	104.9	159.8	44.8	0	0	0	0	107.3	Q617 D621	Q617-S619 VanDerWaalsContact C-N 3.34Å; Q617-S619 PolarHBondContact O-N 2.74Å; Q617-S619 VanDerWaalsContact O-N 3.14Å; S619-D621 PolarHBondContact O-N 2.85Å
620	N	30.7	Very low	31.6	Very low	148 Å²	148	134.4 Å²	134.4	79%	0.791	76%	0.757	S	S	*	*			trans	-64.6	108.1	161.2	-70.3	-33.8	0	0	0	106.3
621	D	38.4	Very low	31.4	Very low	158 Å²	158	137.1 Å²	137.1	85%	0.845	77%	0.773	S	S	*	*			trans	-154.4	100.1	149.6	-85.7	-33.8	0	0	0	107.1	S619 D623	S619-D621 PolarHBondContact O-N 2.85Å; D621-D623 PolarHBondContact O-N 3.44Å
622	F	33.4	Very low	31.5	Very low	203 Å²	203	136.6 Å²	136.6	89%	0.89	77%	0.769	S	S	*	*			trans	-70.8	109.8	163.5	-89.6	-98.6	0	0	0	106.9
623	D	35.1	Very low	32.1	Very low	152 Å²	152	132.5 Å²	132.5	81%	0.813	76%	0.758	S	S	*	*			trans	-167.3	120.5	138.7	-100.2	-26.8	0	0	0	113.1	D621 Q625	D621-D623 PolarHBondContact O-N 3.44Å; D623-Q625 PolarHBondContact O-N 3.08Å
624	S	32.5	Very low	33.1	Very low	109 Å²	109	133.8 Å²	133.8	76%	0.762	75%	0.748	S	S	*	*			trans	8.5	92.6	153.2	54.2	0	0	0	0	119.5
625	Q	32.7	Very low	34	Very low	195 Å²	195	134.2 Å²	134.2	91%	0.911	74%	0.744	S	S	*	*			trans	-141.7	145.8	146.2	-77.2	-164.5	-13.2	0	0	111.8	D623	D623-Q625 PolarHBondContact O-N 3.08Å
626	E	30.3	Very low	35.6	Very low	180 Å²	180	128.3 Å²	128.3	84%	0.841	71%	0.709	S	S	*	*			trans	-75.7	154.2	-161.3	-65	160.6	145.7	0	0	113.7	N628	E626-N628 PolarHBondContact O-N 3.33Å; E626-N628 VanDerWaalsContact O-N 3.16Å
627	A	28.3	Very low	37.8	Very low	100 Å²	100	121.5 Å²	121.5	83%	0.826	67%	0.673	S	S	*	*			trans	-16	102.6	159.7	0	0	0	0	0	116.1
628	N	28.7	Very low	40.4	Very low	144 Å²	144	115.3 Å²	115.3	77%	0.77	65%	0.646	S	S	*	*			trans	-140	98.3	164.9	-86.9	-38.8	0	0	0	111.6	E626 D630	E626-N628 PolarHBondContact O-N 3.33Å; E626-N628 VanDerWaalsContact O-N 3.16Å; N628-D630 PolarHBondContact O-N 2.55Å
629	S	29	Very low	43.2	Very low	97 Å²	97	109.1 Å²	109.1	68%	0.678	61%	0.606	S	S	*	*			trans	51	53.1	130.9	71.1	0	0	0	0	122.3	S631	S629-S631 PolarHBondContact O-N 3.4Å
630	D	28.6	Very low	45.8	Very low	155 Å²	155	106.3 Å²	106.3	83%	0.829	59%	0.585	S	S	*	*			trans	-86.5	45.6	157.2	-89.8	-11.6	0	0	0	112	N628 S632	N628-D630 PolarHBondContact O-N 2.55Å; D630-S632 VanDerWaalsContact C-N 3.28Å; D630-S632 PolarHBondContact O-N 2.96Å
631	S	31	Very low	48.8	Very low	109 Å²	109	99.6 Å²	99.6	76%	0.762	55%	0.55	S	S	*	.			trans	-87.4	23.7	-176.8	57	0	0	0	0	114.4	S629	S629-S631 PolarHBondContact O-N 3.4Å
632	S	34.7	Very low	51.5	Low	95 Å²	95	92.9 Å²	92.9	66%	0.664	51%	0.514	S	S	*	.			trans	-92.6	9.3	178.6	58.3	0	0	0	0	113.9	D630 W634	D630-S632 VanDerWaalsContact C-N 3.28Å; D630-S632 PolarHBondContact O-N 2.96Å; S632-W634 PolarHBondContact O-N 2.9Å
633	Q	39	Very low	54.3	Low	117 Å²	117	83.8 Å²	83.8	55%	0.547	48%	0.476	S	S	.	.			trans	-86	97.3	170.4	-73.3	-177.9	7.7	0	0	110.1	L635	Q633-L635 PolarHBondContact O-N 2.87Å
634	W	49.2	Very low	57	Low	99 Å²	99	77.8 Å²	77.8	38%	0.375	44%	0.443	S	S	.	.			trans	-68.4	79.6	164.7	-59.2	101.7	0	0	0	109.5	S632 T636 D734 V740 F742	S632-W634 PolarHBondContact O-N 2.9Å; W634-T636 HydrophobicContact CB-CG2 4.47Å; W634-T636 PolarHBondContact O-N 2.7Å; W634-D734 VanDerWaalsContact CD1-OD1 3.3Å; W634-D734 PolarHBondContact NE1-OD1 2.94Å; W634-V740 HydrophobicContact CH2-CB 4.4Å; W634-V740 HydrophobicContact CH2-CG2 3.87Å; W634-V740 HydrophobicContact CZ3-CB 4.21Å; W634-V740 HydrophobicContact CZ3-CG1 4.08Å; W634-V740 HydrophobicContact CZ3-CG2 3.81Å; W634-F742 HydrophobicContact CZ3-CZ 4.39Å
635	L	49.9	Very low	59.6	Low	107 Å²	107	72.7 Å²	72.7	56%	0.56	41%	0.407	S	S	*	.			trans	-69.3	90.6	165.2	-138	85.7	0	0	0	107	Y608 Q633 G637	Y608-L635 HydrophobicContact CD1-CD1 4.18Å; Y608-L635 HydrophobicContact CD1-CG 4.14Å; Y608-L635 HydrophobicContact CE1-CD1 4.09Å; Y608-L635 HydrophobicContact CE1-CD2 3.74Å; Y608-L635 HydrophobicContact CE1-CG 3.65Å; Q633-L635 PolarHBondContact O-N 2.87Å; L635-G637 PolarHBondContact O-N 3.02Å
636	T	63.7	Low	61.8	Low	1 Å²	1	66 Å²	66	1%	0.006	38%	0.381	C	S	.	.			trans	-74.3	116.4	175.6	54.7	0	0	0	0	108.7	G589 G607 Y608 W634	G589-T636 WeakPolarHBondContact O-CB 3.29Å; G589-T636 PolarHBondContact O-OG1 3.01Å; G607-T636 WeakPolarHBondContact CA-OG1 3.48Å; G607-T636 PolarHBondContact N-OG1 2.86Å; Y608-T636 WeakPolarHBondContact CE2-O 3.25Å; W634-T636 HydrophobicContact CB-CG2 4.47Å; W634-T636 PolarHBondContact O-N 2.7Å
637	G	76.8	Confident	63.7	Low	5 Å²	5	58.8 Å²	58.8	5%	0.052	36%	0.355	C	S	.	.			trans	-73.8	-178.8	171.9	0	0	0	0	0	111.9	G589 L635 V639 E658	G589-G637 WeakPolarHBondContact CA-O 3.32Å; L635-G637 PolarHBondContact O-N 3.02Å; G637-V639 PolarHBondContact O-N 2.86Å; G637-E658 VanDerWaalsContact CA-OE2 3.28Å; G637-E658 WeakPolarHBondContact CA-OE2 3.31Å; G637-E658 PolarHBondContact N-OE1 3.3Å; G637-E658 VanDerWaalsContact N-OE1 3.08Å
638	P	87.4	Confident	65.5	Low	23 Å²	23	60 Å²	60	15%	0.149	35%	0.347	C	S	.	.			trans	-56.7	126.6	179.8	-25.3	35.6	0	0	0	112.3	W587 G656 L657	W587-P638 HydrophobicContact CD2-CB 4.18Å; W587-P638 HydrophobicContact CD2-CG 4.38Å; W587-P638 HydrophobicContact CE3-CB 3.59Å; W587-P638 HydrophobicContact CE3-CG 3.37Å; W587-P638 HydrophobicContact CZ3-CB 3.87Å; W587-P638 HydrophobicContact CZ3-CG 3.55Å; P638-G656 WeakPolarHBondContact O-CA 3.28Å; P638-L657 HydrophobicContact CB-CD1 4.18Å; P638-L657 HydrophobicContact CG-CD1 4.46Å; P638-L657 PolarHBondContact O-N 2.93Å
639	V	91.2	Very high	67.5	Low	2 Å²	2	55.2 Å²	55.2	1%	0.012	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	118.8	176.1	-179.6	0	0	0	0	109.1	T572 G586 G637 L642	T572-V639 HydrophobicContact CG2-CG1 3.99Å; G586-V639 PolarHBondContact N-O 3.29Å; G586-V639 PolarHBondContact O-N 2.83Å; G637-V639 PolarHBondContact O-N 2.86Å; V639-L642 HydrophobicContact CG1-CD2 4.01Å; V639-L642 HydrophobicContact CG1-CG 4.15Å
640	V	91.9	Very high	69.7	Low	33 Å²	33	51.3 Å²	51.3	20%	0.2	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	-22.1	-173.9	178.1	0	0	0	0	112.6	T572 G655 L657 L749	T572-V640 VanDerWaalsContact CB-O 3.3Å; T572-V640 WeakPolarHBondContact CB-O 3.48Å; V640-G655 PolarHBondContact N-O 3.21Å; V640-L657 HydrophobicContact CB-CD2 4.47Å; V640-L657 HydrophobicContact CG2-CD1 3.94Å; V640-L657 HydrophobicContact CG2-CD2 3.86Å; V640-L657 HydrophobicContact CG2-CG 3.55Å; V640-L749 HydrophobicContact CG1-CD2 4.01Å
641	S	93.1	Very high	72.5	Confident	7 Å²	7	44.8 Å²	44.8	5%	0.049	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	142.2	175.8	53.5	0	0	0	0	111.6	S654 G655 V748 L751	S641-S654 WeakPolarHBondContact O-CA 3.21Å; S641-G655 PolarHBondContact N-O 3.25Å; S641-G655 PolarHBondContact O-N 3.43Å; S641-G655 WeakPolarHBondContact OG-CA 3.17Å; S641-V748 PolarHBondContact OG-O 3.05Å; S641-L751 WeakPolarHBondContact OG-CD1 3.46Å
642	L	94.3	Very high	75.3	Confident	17 Å²	17	39.6 Å²	39.6	9%	0.089	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	139.4	175.8	-74.9	174.2	0	0	0	109.6	T572 A574 A583 T591 V639 L652 A653	T572-L642 HydrophobicContact CG2-CB 4.27Å; T572-L642 HydrophobicContact CG2-CD1 3.71Å; T572-L642 HydrophobicContact CG2-CG 3.61Å; T572-L642 PolarHBondContact OG1-N 2.92Å; A574-L642 HydrophobicContact CB-CB 3.89Å; A583-L642 HydrophobicContact CB-CD1 4.14Å; T591-L642 HydrophobicContact CG2-CD1 4.33Å; T591-L642 HydrophobicContact CG2-CD2 3.84Å; V639-L642 HydrophobicContact CG1-CD2 4.01Å; V639-L642 HydrophobicContact CG1-CG 4.15Å; L642-L652 HydrophobicContact CB-CD1 4.48Å; L642-L652 HydrophobicContact CD2-CD1 4.12Å; L642-L652 HydrophobicContact CD2-CD2 4.37Å; L642-L652 HydrophobicContact CD2-CG 4.28Å; L642-A653 WeakPolarHBondContact CA-O 3.45Å
643	A	93.5	Very high	78.1	Confident	13 Å²	13	35.1 Å²	35.1	11%	0.107	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	131.8	172.4	0	0	0	0	0	110.3	A653 L751 Y753	A643-A653 PolarHBondContact N-O 2.85Å; A643-A653 PolarHBondContact O-N 3.04Å; A643-L751 HydrophobicContact CB-CB 3.9Å; A643-Y753 HydrophobicContact CB-CD2 3.9Å; A643-Y753 HydrophobicContact CB-CE2 4.17Å; A643-Y753 WeakPolarHBondContact O-CE2 3.47Å
644	F	91	Very high	80.6	Confident	26 Å²	26	29.6 Å²	29.6	11%	0.114	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	145.3	169.4	-83.2	-82.4	0	0	0	110.5	A574 F575 P577 A583 L593 L652 Y753	A574-F644 HydrophobicContact CB-CD2 3.91Å; A574-F644 HydrophobicContact CB-CE2 4.24Å; A574-F644 WeakPolarHBondContact O-CE2 3.43Å; F575-F644 VanDerWaalsContact C-CD2 3.43Å; F575-F644 VanDerWaalsContact O-CD2 3.23Å; F575-F644 WeakPolarHBondContact O-CD2 3.45Å; P577-F644 HydrophobicContact CG-CB 4.26Å; A583-F644 HydrophobicContact CB-CE2 3.48Å; A583-F644 VanDerWaalsContact CB-CE2 3.48Å; A583-F644 HydrophobicContact CB-CZ 3.67Å; L593-F644 HydrophobicContact CD2-CZ 4.19Å; F644-L652 HydrophobicContact CD1-CB 4.17Å; F644-L652 HydrophobicContact CD1-CD1 4.05Å; F644-L652 HydrophobicContact CD2-CD1 3.86Å; F644-L652 HydrophobicContact CE1-CB 4.04Å; F644-L652 HydrophobicContact CE1-CD1 4.04Å; F644-L652 HydrophobicContact CE1-CG 4.44Å; F644-L652 HydrophobicContact CE2-CD1 3.85Å; F644-L652 HydrophobicContact CG-CD1 3.97Å; F644-L652 HydrophobicContact CZ-CD1 3.95Å; F644-L652 HydrophobicContact CZ-CD2 4.33Å; F644-Y753 WeakPolarHBondContact O-CD2 3.3Å
645	C	87.7	Confident	82.5	Confident	2 Å²	2	24.9 Å²	24.9	1%	0.014	15%	0.152	C	C	.	.			trans	-67	131.6	171.4	166.8	0	0	0	0	110.4	P577 G647 S649 R651 Y753 P756	P577-C645 WeakPolarHBondContact CG-O 3.37Å; C645-G647 VanDerWaalsContact C-N 3.33Å; C645-G647 PolarHBondContact O-N 3.27Å; C645-G647 VanDerWaalsContact O-O 3.12Å; C645-G647 PolarHBondContact SG-O 2.85Å; C645-G647 VanDerWaalsContact SG-O 3.33Å; C645-S649 PolarHBondContact SG-OG 2.92Å; C645-R651 HydrophobicContact CB-CB 3.72Å; C645-R651 PolarHBondContact N-O 2.79Å; C645-Y753 HydrophobicContact CB-CD1 4.3Å; C645-Y753 HydrophobicContact CB-CD2 4.49Å; C645-Y753 HydrophobicContact CB-CE1 4.12Å; C645-Y753 HydrophobicContact CB-CE2 4.34Å; C645-Y753 HydrophobicContact CB-CG 4.47Å; C645-P756 VanDerWaalsContact SG-CA 3.55Å; C645-P756 WeakPolarHBondContact SG-CB 3.44Å
646	P	79.3	Confident	84.3	Confident	55 Å²	55	19.8 Å²	19.8	36%	0.357	13%	0.126	S	C	.	.	S	Bend	trans	-65.5	-31.4	-173.7	23.5	-33.6	0	0	0	113.6	Y753	P646-Y753 VanDerWaalsContact CD-CB 3.44Å
647	G	68.4	Low	85.2	Confident	28 Å²	28	22.3 Å²	22.3	29%	0.289	14%	0.139	S	C	.	.	S	Bend	trans	-76.1	129.1	167.3	0	0	0	0	0	109.2	C645 S649	C645-G647 VanDerWaalsContact C-N 3.33Å; C645-G647 PolarHBondContact O-N 3.27Å; C645-G647 VanDerWaalsContact O-O 3.12Å; C645-G647 PolarHBondContact SG-O 2.85Å; C645-G647 VanDerWaalsContact SG-O 3.33Å; G647-S649 WeakPolarHBondContact O-CB 3.24Å; G647-S649 PolarHBondContact O-N 3.33Å; G647-S649 PolarHBondContact O-OG 3.13Å
648	N	66.2	Low	85.5	Confident	124 Å²	124	25.2 Å²	25.2	66%	0.663	15%	0.151	S	C	*	.	S	Bend	trans	-54.5	23.7	-178.7	-80	-20.6	0	0	0	116.6	G650	N648-G650 PolarHBondContact O-N 3.31Å; N648-G650 VanDerWaalsContact O-N 3.16Å
649	S	71.4	Confident	85.2	Confident	45 Å²	45	24.1 Å²	24.1	32%	0.315	14%	0.144	S	C	.	.	S	Bend	trans	-55.1	-16.8	169.4	66.1	0	0	0	0	115	C645 G647 R651 V667	C645-S649 PolarHBondContact SG-OG 2.92Å; G647-S649 WeakPolarHBondContact O-CB 3.24Å; G647-S649 PolarHBondContact O-N 3.33Å; G647-S649 PolarHBondContact O-OG 3.13Å; S649-R651 VanDerWaalsContact C-N 3.28Å; S649-R651 PolarHBondContact O-N 2.51Å; S649-R651 PolarHBondContact OG-N 2.89Å; S649-V667 WeakPolarHBondContact O-CG2 3.44Å
650	G	76.3	Confident	84.9	Confident	14 Å²	14	24 Å²	24	14%	0.144	14%	0.144	C	C	.	.			trans	69.8	21.2	-175.1	0	0	0	0	0	113.8	N648 T666	N648-G650 PolarHBondContact O-N 3.31Å; N648-G650 VanDerWaalsContact O-N 3.16Å; G650-T666 WeakPolarHBondContact O-CB 3.49Å; G650-T666 WeakPolarHBondContact O-CG2 3.37Å; G650-T666 PolarHBondContact O-N 3.16Å; G650-T666 PolarHBondContact O-OG1 2.96Å
651	R	86.3	Confident	84.8	Confident	19 Å²	19	22.7 Å²	22.7	7%	0.072	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	138.2	172.1	-67.9	178	-171.4	-172.8	-2.8	112.1	I340 T342 C645 S649 I663 W664	I340-R651 PolarHBondContact O-NH1 2.88Å; I340-R651 PolarHBondContact O-NH2 3.48Å; T342-R651 PolarHBondContact OG1-NH1 3.32Å; T342-R651 VanDerWaalsContact OG1-NH1 3.14Å; C645-R651 HydrophobicContact CB-CB 3.72Å; C645-R651 PolarHBondContact N-O 2.79Å; S649-R651 VanDerWaalsContact C-N 3.28Å; S649-R651 PolarHBondContact O-N 2.51Å; S649-R651 PolarHBondContact OG-N 2.89Å; R651-I663 HydrophobicContact CB-CG2 4.45Å; R651-W664 CarbonylContact C-O 3.59Å; R651-W664 VanDerWaalsContact CA-O 3.28Å; R651-W664 WeakPolarHBondContact CA-O 3.41Å
652	L	90.5	Very high	84.5	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	119.9	176.9	175.8	65.1	0	0	0	108.4	A583 T591 L593 L642 F644 W664 T666	A583-L652 HydrophobicContact CB-CD1 4.07Å; A583-L652 HydrophobicContact CB-CD2 3.74Å; T591-L652 HydrophobicContact CG2-CD2 3.65Å; L593-L652 HydrophobicContact CD2-CD2 3.88Å; L642-L652 HydrophobicContact CB-CD1 4.48Å; L642-L652 HydrophobicContact CD2-CD1 4.12Å; L642-L652 HydrophobicContact CD2-CD2 4.37Å; L642-L652 HydrophobicContact CD2-CG 4.28Å; F644-L652 HydrophobicContact CD1-CB 4.17Å; F644-L652 HydrophobicContact CD1-CD1 4.05Å; F644-L652 HydrophobicContact CD2-CD1 3.86Å; F644-L652 HydrophobicContact CE1-CB 4.04Å; F644-L652 HydrophobicContact CE1-CD1 4.04Å; F644-L652 HydrophobicContact CE1-CG 4.44Å; F644-L652 HydrophobicContact CE2-CD1 3.85Å; F644-L652 HydrophobicContact CG-CD1 3.97Å; F644-L652 HydrophobicContact CZ-CD1 3.95Å; F644-L652 HydrophobicContact CZ-CD2 4.33Å; L652-W664 HydrophobicContact CB-CB 4.32Å; L652-W664 PolarHBondContact N-O 2.67Å; L652-W664 VanDerWaalsContact O-CD1 3.3Å; L652-W664 PolarHBondContact O-N 2.8Å; L652-T666 HydrophobicContact CB-CG2 4.3Å
653	A	92.2	Very high	84.3	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	138.1	167.9	0	0	0	0	0	109.9	L642 A643 L661 R662 L751 Y753 L759	L642-A653 WeakPolarHBondContact CA-O 3.45Å; A643-A653 PolarHBondContact N-O 2.85Å; A643-A653 PolarHBondContact O-N 3.04Å; A653-L661 HydrophobicContact CB-CD1 4.35Å; A653-R662 CarbonylContact C-O 3.57Å; A653-R662 WeakPolarHBondContact CA-O 3.42Å; A653-L751 HydrophobicContact CB-CD1 4.05Å; A653-Y753 HydrophobicContact CB-CE2 3.65Å; A653-Y753 WeakPolarHBondContact CB-OH 3.08Å; A653-L759 HydrophobicContact CB-CD1 4.16Å; A653-L759 HydrophobicContact CB-CD2 3.6Å
654	S	92.4	Very high	84	Confident	1 Å²	1	21.7 Å²	21.7	1%	0.007	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	127	170.9	67.3	0	0	0	0	110.7	S641 L661 R662 W664	S641-S654 WeakPolarHBondContact O-CA 3.21Å; S654-L661 WeakPolarHBondContact O-CA 3.35Å; S654-R662 PolarHBondContact N-O 3.25Å; S654-R662 PolarHBondContact O-N 3.21Å; S654-R662 PolarHBondContact OG-O 3.21Å; S654-W664 PolarHBondContact OG-NE1 2.94Å
655	G	90.1	Very high	83.6	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	134.2	176.3	0	0	0	0	0	111.2	V640 S641	V640-G655 PolarHBondContact N-O 3.21Å; S641-G655 PolarHBondContact N-O 3.25Å; S641-G655 PolarHBondContact O-N 3.43Å; S641-G655 WeakPolarHBondContact OG-CA 3.17Å
656	G	86.4	Confident	83.1	Confident	0 Å²	0	22 Å²	22	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	164.1	179.3	0	0	0	0	0	114.3	P638 E658 G659 A660 V748	P638-G656 WeakPolarHBondContact O-CA 3.28Å; G656-E658 VanDerWaalsContact CA-OE2 3.31Å; G656-E658 WeakPolarHBondContact CA-OE2 3.23Å; G656-E658 PolarHBondContact O-N 3.04Å; G656-G659 PolarHBondContact O-N 2.79Å; G656-A660 PolarHBondContact N-O 3.05Å; G656-V748 PolarHBondContact O-N 2.82Å
657	L	83.8	Confident	82.7	Confident	54 Å²	54	21.3 Å²	21.3	28%	0.283	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-21.5	174.3	-68	177.5	0	0	0	112.9	W587 P638 V640 G659 S747 L749	W587-L657 HydrophobicContact CH2-CD1 3.76Å; W587-L657 HydrophobicContact CZ3-CD1 4.03Å; P638-L657 HydrophobicContact CB-CD1 4.18Å; P638-L657 HydrophobicContact CG-CD1 4.46Å; P638-L657 PolarHBondContact O-N 2.93Å; V640-L657 HydrophobicContact CB-CD2 4.47Å; V640-L657 HydrophobicContact CG2-CD1 3.94Å; V640-L657 HydrophobicContact CG2-CD2 3.86Å; V640-L657 HydrophobicContact CG2-CG 3.55Å; L657-G659 PolarHBondContact O-N 3.34Å; L657-S747 PolarHBondContact O-OG 2.83Å; L657-L749 HydrophobicContact CD2-CD2 3.93Å
658	E	81.7	Confident	82.5	Confident	66 Å²	66	22 Å²	22	31%	0.308	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-1.6	174.5	71.2	-85.6	-157.4	0	0	113.4	G637 G656 A660 R662	G637-E658 VanDerWaalsContact CA-OE2 3.28Å; G637-E658 WeakPolarHBondContact CA-OE2 3.31Å; G637-E658 PolarHBondContact N-OE1 3.3Å; G637-E658 VanDerWaalsContact N-OE1 3.08Å; G656-E658 VanDerWaalsContact CA-OE2 3.31Å; G656-E658 WeakPolarHBondContact CA-OE2 3.23Å; G656-E658 PolarHBondContact O-N 3.04Å; E658-A660 VanDerWaalsContact C-N 3.31Å; E658-A660 HydrophobicContact CG-CB 3.63Å; E658-R662 IonicContact OE1-CZ 3.24Å; E658-R662 IonicContact OE1-NH1 3.17Å; E658-R662 PolarHBondContact OE1-NH1 3.31Å; E658-R662 IonicContact OE1-NH2 2.75Å; E658-R662 PolarHBondContact OE1-NH2 3.3Å
659	G	80.9	Confident	81.9	Confident	1 Å²	1	16 Å²	16	1%	0.01	9%	0.093	C	C	.	.	S	Bend	trans	79.4	11.7	-174.6	0	0	0	0	0	113.9	G656 L657 T743 T746	G656-G659 PolarHBondContact O-N 2.79Å; L657-G659 PolarHBondContact O-N 3.34Å; G659-T743 VanDerWaalsContact CA-OG1 3.27Å; G659-T743 WeakPolarHBondContact CA-OG1 3.44Å; G659-T743 WeakPolarHBondContact O-CG2 3.37Å; G659-T743 PolarHBondContact O-N 3.31Å; G659-T743 PolarHBondContact O-OG1 3.16Å; G659-T746 VanDerWaalsContact CA-O 3.29Å; G659-T746 WeakPolarHBondContact CA-O 3.49Å
660	A	85.6	Confident	80.8	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	131.5	174.1	0	0	0	0	0	110.8	G656 E658 F741 F742	G656-A660 PolarHBondContact N-O 3.05Å; E658-A660 VanDerWaalsContact C-N 3.31Å; E658-A660 HydrophobicContact CG-CB 3.63Å; A660-F741 CarbonylContact C-O 3.58Å; A660-F741 WeakPolarHBondContact CA-O 3.3Å; A660-F742 HydrophobicContact CB-CD1 3.79Å; A660-F742 HydrophobicContact CB-CE1 3.69Å
661	L	88.9	Confident	79.3	Confident	4 Å²	4	18.6 Å²	18.6	2%	0.021	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	120.8	167.1	176.2	64.9	0	0	0	108.3	T344 A653 S654 V740 F741 L751 L759 A761	T344-L661 HydrophobicContact CG2-CD2 3.3Å; A653-L661 HydrophobicContact CB-CD1 4.35Å; S654-L661 WeakPolarHBondContact O-CA 3.35Å; L661-V740 CarbonylContact O-C 3.57Å; L661-V740 WeakPolarHBondContact O-CA 3.39Å; L661-F741 HydrophobicContact CB-CB 4.26Å; L661-F741 HydrophobicContact CD2-CD2 4.1Å; L661-F741 HydrophobicContact CG-CD2 4.37Å; L661-F741 PolarHBondContact N-O 3.22Å; L661-F741 PolarHBondContact O-N 3.14Å; L661-L751 HydrophobicContact CD1-CD1 3.8Å; L661-L751 HydrophobicContact CD1-CD2 3.49Å; L661-L751 VanDerWaalsContact CD1-CD2 3.49Å; L661-L751 HydrophobicContact CD1-CG 4.3Å; L661-L759 HydrophobicContact CD1-CD2 4.21Å; L661-L759 HydrophobicContact CD2-CD2 3.84Å; L661-L759 HydrophobicContact CG-CD2 4.37Å; L661-A761 HydrophobicContact CD2-CB 4.4Å
662	R	88.5	Confident	77.1	Confident	5 Å²	5	21.7 Å²	21.7	2%	0.019	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.9	-178.1	-54.2	174.8	-178.3	89.2	3.9	109.4	A653 S654 E658 W664 V740	A653-R662 CarbonylContact C-O 3.57Å; A653-R662 WeakPolarHBondContact CA-O 3.42Å; S654-R662 PolarHBondContact N-O 3.25Å; S654-R662 PolarHBondContact O-N 3.21Å; S654-R662 PolarHBondContact OG-O 3.21Å; E658-R662 IonicContact OE1-CZ 3.24Å; E658-R662 IonicContact OE1-NH1 3.17Å; E658-R662 PolarHBondContact OE1-NH1 3.31Å; E658-R662 IonicContact OE1-NH2 2.75Å; E658-R662 PolarHBondContact OE1-NH2 3.3Å; R662-W664 HydrophobicContact CB-CZ2 3.95Å; R662-W664 HydrophobicContact CG-CZ2 4.37Å; R662-V740 HydrophobicContact CB-CG2 4.36Å; R662-V740 HydrophobicContact CG-CG1 3.97Å; R662-V740 HydrophobicContact CG-CG2 4.12Å
663	I	89.1	Confident	74.6	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	112.7	174.5	-55.9	-177.3	0	0	0	107.9	T342 R651 S738 E739 F741 L759	T342-I663 VanDerWaalsContact CB-CD1 3.49Å; T342-I663 HydrophobicContact CG2-CD1 3.76Å; R651-I663 HydrophobicContact CB-CG2 4.45Å; I663-S738 WeakPolarHBondContact CG2-OG 3.48Å; I663-S738 PolarHBondContact O-N 2.8Å; I663-S738 PolarHBondContact O-OG 3.44Å; I663-E739 HydrophobicContact CB-CB 4.26Å; I663-E739 HydrophobicContact CD1-CB 4.36Å; I663-E739 PolarHBondContact N-O 2.87Å; I663-E739 PolarHBondContact O-N 2.74Å; I663-F741 HydrophobicContact CD1-CE2 3.89Å; I663-F741 HydrophobicContact CG1-CE2 4.48Å; I663-L759 HydrophobicContact CD1-CD2 4.01Å; I663-L759 HydrophobicContact CG1-CD2 4.3Å
664	W	86.8	Confident	71.9	Confident	11 Å²	11	30.2 Å²	30.2	4%	0.042	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	125.8	178.6	-49.4	98.2	0	0	0	110	L605 R651 L652 S654 R662 T666 S733 C736 A737	L605-W664 HydrophobicContact CB-CD2 3.97Å; L605-W664 HydrophobicContact CB-CE3 3.95Å; L605-W664 HydrophobicContact CB-CH2 4.23Å; L605-W664 HydrophobicContact CB-CZ2 4.25Å; L605-W664 HydrophobicContact CB-CZ3 4.1Å; L605-W664 HydrophobicContact CD1-CB 3.73Å; L605-W664 HydrophobicContact CD1-CD2 3.9Å; L605-W664 HydrophobicContact CD1-CE3 4.22Å; L605-W664 HydrophobicContact CD1-CG 3.69Å; L605-W664 HydrophobicContact CD2-CE3 4.44Å; L605-W664 HydrophobicContact CG-CD2 4.47Å; L605-W664 HydrophobicContact CG-CE3 4.44Å; R651-W664 CarbonylContact C-O 3.59Å; R651-W664 VanDerWaalsContact CA-O 3.28Å; R651-W664 WeakPolarHBondContact CA-O 3.41Å; L652-W664 HydrophobicContact CB-CB 4.32Å; L652-W664 PolarHBondContact N-O 2.67Å; L652-W664 VanDerWaalsContact O-CD1 3.3Å; L652-W664 PolarHBondContact O-N 2.8Å; S654-W664 PolarHBondContact OG-NE1 2.94Å; R662-W664 HydrophobicContact CB-CZ2 3.95Å; R662-W664 HydrophobicContact CG-CZ2 4.37Å; W664-T666 PolarHBondContact O-N 3.31Å; W664-S733 WeakPolarHBondContact CZ3-O 3.11Å; W664-C736 CarbonylContact C-O 3.07Å; W664-C736 WeakPolarHBondContact CA-O 3.42Å; W664-C736 HydrophobicContact CE3-CB 4.06Å; W664-A737 HydrophobicContact CE3-CB 4.28Å; W664-A737 HydrophobicContact CZ3-CB 4.06Å
665	N	83.6	Confident	68.8	Low	31 Å²	31	36.6 Å²	36.6	17%	0.166	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	96.9	165.1	-175	-5.3	0	0	0	109.1	V667 S668 C736	N665-V667 PolarHBondContact O-N 2.91Å; N665-V667 VanDerWaalsContact O-N 3.11Å; N665-V667 WeakPolarHBondContact OD1-CA 3.45Å; N665-V667 VanDerWaalsContact OD1-CB 3.28Å; N665-V667 WeakPolarHBondContact OD1-CB 3.26Å; N665-V667 PolarHBondContact OD1-N 3.05Å; N665-S668 WeakPolarHBondContact CB-OG 3.4Å; N665-S668 PolarHBondContact O-N 2.79Å; N665-S668 VanDerWaalsContact O-N 3.15Å; N665-S668 PolarHBondContact O-OG 2.96Å; N665-S668 VanDerWaalsContact O-OG 3.09Å; N665-C736 PolarHBondContact N-O 2.95Å
666	T	77.1	Confident	66.1	Low	3 Å²	3	41.9 Å²	41.9	2%	0.018	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-3.6	179	68.9	0	0	0	0	113	L593 L605 G650 L652 W664 L691 L692	L593-T666 HydrophobicContact CD1-CG2 3.63Å; L593-T666 HydrophobicContact CD2-CG2 4.49Å; L605-T666 HydrophobicContact CD1-CG2 4.41Å; G650-T666 WeakPolarHBondContact O-CB 3.49Å; G650-T666 WeakPolarHBondContact O-CG2 3.37Å; G650-T666 PolarHBondContact O-N 3.16Å; G650-T666 PolarHBondContact O-OG1 2.96Å; L652-T666 HydrophobicContact CB-CG2 4.3Å; W664-T666 PolarHBondContact O-N 3.31Å; T666-L691 WeakPolarHBondContact O-CB 3.07Å; T666-L692 VanDerWaalsContact OG1-CD1 3.27Å; T666-L692 WeakPolarHBondContact OG1-CD1 3.4Å
667	V	71.3	Confident	63.2	Low	42 Å²	42	48 Å²	48	26%	0.255	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-25.6	173.2	-172.2	0	0	0	0	111	S649 N665 N690	S649-V667 WeakPolarHBondContact O-CG2 3.44Å; N665-V667 PolarHBondContact O-N 2.91Å; N665-V667 VanDerWaalsContact O-N 3.11Å; N665-V667 WeakPolarHBondContact OD1-CA 3.45Å; N665-V667 VanDerWaalsContact OD1-CB 3.28Å; N665-V667 WeakPolarHBondContact OD1-CB 3.26Å; N665-V667 PolarHBondContact OD1-N 3.05Å; V667-N690 HydrophobicContact CG1-CB 3.87Å; V667-N690 WeakPolarHBondContact CG1-ND2 3.41Å; V667-N690 WeakPolarHBondContact O-CA 3.22Å; V667-N690 WeakPolarHBondContact O-CB 3.29Å; V667-N690 PolarHBondContact O-OD1 3.18Å
668	S	63.1	Low	60.8	Low	41 Å²	41	49.5 Å²	49.5	29%	0.287	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-20.3	-172.9	57	0	0	0	0	116	N665 W670 A735	N665-S668 WeakPolarHBondContact CB-OG 3.4Å; N665-S668 PolarHBondContact O-N 2.79Å; N665-S668 VanDerWaalsContact O-N 3.15Å; N665-S668 PolarHBondContact O-OG 2.96Å; N665-S668 VanDerWaalsContact O-OG 3.09Å; S668-W670 PolarHBondContact O-N 2.89Å; S668-A735 PolarHBondContact OG-O 3.07Å
669	G	53.4	Low	58.3	Low	0 Å²	0	53.3 Å²	53.3	0%	0	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	121	-174.1	0	0	0	0	0	112.7	L691 C736	G669-L691 VanDerWaalsContact O-CA 3.22Å; G669-L691 WeakPolarHBondContact O-CA 3.4Å; G669-L691 WeakPolarHBondContact O-CB 3.24Å; G669-L691 PolarHBondContact O-N 3.1Å; G669-C736 WeakPolarHBondContact CA-SG 3.23Å
670	W	49.6	Very low	55.8	Low	35 Å²	35	56.5 Å²	56.5	13%	0.133	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	152.7	-4.4	159.8	-94.3	57.8	0	0	0	111.7	S668 T672 A673 T689 L694 S725 A727	S668-W670 PolarHBondContact O-N 2.89Å; W670-T672 PolarHBondContact O-N 3.11Å; W670-A673 PolarHBondContact O-N 3.11Å; W670-T689 WeakPolarHBondContact CB-O 3.41Å; W670-L694 HydrophobicContact CB-CD1 3.92Å; W670-L694 HydrophobicContact CD2-CD1 3.77Å; W670-L694 HydrophobicContact CE3-CD1 3.46Å; W670-L694 VanDerWaalsContact CE3-CD1 3.46Å; W670-L694 HydrophobicContact CG-CD1 4.05Å; W670-L694 HydrophobicContact CZ3-CD1 4.25Å; W670-S725 VanDerWaalsContact CH2-OG 3.24Å; W670-S725 WeakPolarHBondContact CH2-OG 3.32Å; W670-A727 VanDerWaalsContact CD1-CB 3.49Å; W670-A727 HydrophobicContact CD2-CB 4.16Å; W670-A727 HydrophobicContact CG-CB 4.33Å; W670-A727 HydrophobicContact CZ2-CB 3.56Å
671	S	45	Very low	53.1	Low	78 Å²	78	64.5 Å²	64.5	55%	0.545	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	1.2	-179.2	-168.9	0	0	0	0	115.6
672	T	40.3	Very low	50.2	Low	84 Å²	84	70.4 Å²	70.4	52%	0.515	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.8	14.3	-174.1	46	0	0	0	0	115.4	W670	W670-T672 PolarHBondContact O-N 3.11Å
673	A	37.4	Very low	47.5	Very low	71 Å²	71	77.6 Å²	77.6	59%	0.587	49%	0.489	S	S	*	.	S	Bend	trans	-116.6	-3.9	179.7	0	0	0	0	0	116	W670	W670-A673 PolarHBondContact O-N 3.11Å
674	V	35.1	Very low	44.7	Very low	107 Å²	107	85.1 Å²	85.1	65%	0.648	53%	0.529	S	S	*	.			trans	-131	74.5	178.3	-168.8	0	0	0	0	110.3
675	T	28.3	Very low	42	Very low	136 Å²	136	93.4 Å²	93.4	83%	0.834	57%	0.565	S	S	*	*			trans	-116	75.5	152.4	28	0	0	0	0	107.8
676	T	32.3	Very low	39.5	Very low	110 Å²	110	99 Å²	99	68%	0.675	60%	0.596	S	S	*	*			trans	-77	129.9	153.7	38.4	0	0	0	0	107.4	A678	T676-A678 VanDerWaalsContact C-N 3.29Å; T676-A678 PolarHBondContact O-N 3.17Å
677	P	25.7	Very low	37.4	Very low	129 Å²	129	103.4 Å²	103.4	84%	0.838	63%	0.626	S	S	*	*			trans	-75.5	86.1	178	30.7	-30.8	0	0	0	108.3
678	A	32.6	Very low	35.8	Very low	86 Å²	86	109.1 Å²	109.1	71%	0.711	65%	0.648	S	S	*	*			trans	-85.7	109.9	164.8	0	0	0	0	0	108.1	T676 G680	T676-A678 VanDerWaalsContact C-N 3.29Å; T676-A678 PolarHBondContact O-N 3.17Å; A678-G680 PolarHBondContact O-N 2.99Å
679	T	30	Very low	34.8	Very low	146 Å²	146	109.6 Å²	109.6	90%	0.896	65%	0.649	S	S	*	*			trans	-48.2	125.5	163.7	48.5	0	0	0	0	110.8
680	G	29	Very low	34.9	Very low	68 Å²	68	112.1 Å²	112.1	70%	0.701	66%	0.662	S	S	*	*	S	Bend	trans	135.5	105.1	166	0	0	0	0	0	113.9	A678	A678-G680 PolarHBondContact O-N 2.99Å
681	N	28.7	Very low	35.3	Very low	167 Å²	167	110.5 Å²	110.5	89%	0.893	66%	0.656	S	S	*	*			trans	62.9	101.2	167.2	-66	-5.8	0	0	0	117.4	D683	N681-D683 PolarHBondContact O-N 3.03Å
682	N	27	Very low	36	Very low	129 Å²	129	107.9 Å²	107.9	69%	0.69	64%	0.636	S	S	*	*			trans	-52.2	127.1	154.1	-68.5	-49	0	0	0	109.3
683	D	31.4	Very low	36.5	Very low	156 Å²	156	105.9 Å²	105.9	83%	0.834	63%	0.628	S	S	*	*			trans	-179.6	-9.2	137.7	-84.6	-18.8	0	0	0	114.1	N681	N681-D683 PolarHBondContact O-N 3.03Å
684	D	31.2	Very low	37	Very low	158 Å²	158	104.1 Å²	104.1	85%	0.845	61%	0.608	S	S	*	*			trans	-110.7	66.7	178.3	-77.7	-31.7	0	0	0	113.8	N686	D684-N686 VanDerWaalsContact C-N 3.34Å; D684-N686 PolarHBondContact O-N 3.09Å
685	K	30.9	Very low	37.9	Very low	184 Å²	184	99.9 Å²	99.9	80%	0.8	58%	0.582	S	S	*	*			trans	-85.6	13.9	177.8	-82.7	-174.6	177.9	175.7	0	115.6
686	N	29.3	Very low	39.2	Very low	150 Å²	150	99.1 Å²	99.1	80%	0.802	56%	0.563	S	S	*	*			trans	-130.9	10.4	-168.7	-100.4	-15.8	0	0	0	117.6	D684 K688	D684-N686 VanDerWaalsContact C-N 3.34Å; D684-N686 PolarHBondContact O-N 3.09Å; N686-K688 PolarHBondContact O-N 2.49Å
687	S	33.1	Very low	39.8	Very low	94 Å²	94	98.9 Å²	98.9	66%	0.657	55%	0.553	S	S	*	*			trans	-79.6	87.2	176.6	75.4	0	0	0	0	111.4	T689	S687-T689 PolarHBondContact O-N 3.46Å
688	K	38.3	Very low	41	Very low	163 Å²	163	94.9 Å²	94.9	71%	0.709	53%	0.527	S	S	*	.			trans	-58.9	102.5	164.7	-67.7	179.4	-178.7	178.3	0	108.2	N686 N690	N686-K688 PolarHBondContact O-N 2.49Å; K688-N690 PolarHBondContact O-OD1 3.06Å
689	T	43	Very low	41.9	Very low	51 Å²	51	95 Å²	95	31%	0.313	51%	0.511	S	S	.	.			trans	-86.2	120.7	179.8	52	0	0	0	0	110.2	W670 S687 L694	W670-T689 WeakPolarHBondContact CB-O 3.41Å; S687-T689 PolarHBondContact O-N 3.46Å; T689-L694 VanDerWaalsContact CB-CD1 3.4Å; T689-L694 HydrophobicContact CG2-CD1 4.3Å; T689-L694 HydrophobicContact CG2-CG 4.4Å; T689-L694 WeakPolarHBondContact OG1-CD1 3.49Å
690	N	54.8	Low	42.6	Very low	52 Å²	52	93.5 Å²	93.5	28%	0.278	49%	0.494	S	S	.	.			trans	-78.4	142.4	-172.9	-52	-22.6	0	0	0	112.9	V667 K688 L692 A693 L694	V667-N690 HydrophobicContact CG1-CB 3.87Å; V667-N690 WeakPolarHBondContact CG1-ND2 3.41Å; V667-N690 WeakPolarHBondContact O-CA 3.22Å; V667-N690 WeakPolarHBondContact O-CB 3.29Å; V667-N690 PolarHBondContact O-OD1 3.18Å; K688-N690 PolarHBondContact O-OD1 3.06Å; N690-L692 PolarHBondContact O-N 3.33Å; N690-L692 VanDerWaalsContact O-N 3.16Å; N690-A693 HydrophobicContact CB-CB 3.66Å; N690-A693 PolarHBondContact O-N 2.83Å; N690-L694 WeakPolarHBondContact O-CB 3.5Å; N690-L694 PolarHBondContact O-N 3.5Å
691	L	58	Low	43.1	Very low	1 Å²	1	94.7 Å²	94.7	1%	0.005	48%	0.481	C	S	.	.	H	α-helix	trans	-49.1	-45.6	175.4	-166.6	134.9	0	0	0	111.6	L593 V602 T666 G669 H695 A727 V732	L593-L691 HydrophobicContact CD1-CD2 4Å; V602-L691 HydrophobicContact CB-CD2 4.17Å; V602-L691 HydrophobicContact CG1-CD2 3.47Å; V602-L691 VanDerWaalsContact CG1-CD2 3.47Å; V602-L691 HydrophobicContact CG1-CG 4.26Å; T666-L691 WeakPolarHBondContact O-CB 3.07Å; G669-L691 VanDerWaalsContact O-CA 3.22Å; G669-L691 WeakPolarHBondContact O-CA 3.4Å; G669-L691 WeakPolarHBondContact O-CB 3.24Å; G669-L691 PolarHBondContact O-N 3.1Å; L691-H695 PolarHBondContact O-N 3.09Å; L691-A727 HydrophobicContact CD1-CB 4.39Å; L691-V732 HydrophobicContact CD1-CG1 4.21Å
692	L	59	Low	43.3	Very low	24 Å²	24	91.4 Å²	91.4	13%	0.126	46%	0.459	C	S	.	.	H	α-helix	trans	-78.8	-32.4	179.9	-62.9	168.3	0	0	0	113.6	Y581 T666 N690 R696	Y581-L692 HydrophobicContact CD1-CD2 3.85Å; Y581-L692 HydrophobicContact CD2-CD2 4.01Å; Y581-L692 HydrophobicContact CE1-CD2 3.57Å; Y581-L692 HydrophobicContact CE2-CD2 3.75Å; Y581-L692 HydrophobicContact CG-CD2 4.06Å; T666-L692 VanDerWaalsContact OG1-CD1 3.27Å; T666-L692 WeakPolarHBondContact OG1-CD1 3.4Å; N690-L692 PolarHBondContact O-N 3.33Å; N690-L692 VanDerWaalsContact O-N 3.16Å; L692-R696 WeakPolarHBondContact O-CG 3.27Å; L692-R696 PolarHBondContact O-N 2.77Å
693	A	52.3	Low	44.1	Very low	42 Å²	42	89.5 Å²	89.5	35%	0.347	45%	0.452	S	S	.	.	H	α-helix	trans	-78.9	-35.9	-178.5	0	0	0	0	0	112.1	N690 R696 F697	N690-A693 HydrophobicContact CB-CB 3.66Å; N690-A693 PolarHBondContact O-N 2.83Å; A693-R696 WeakPolarHBondContact O-CB 3.36Å; A693-R696 PolarHBondContact O-N 2.71Å; A693-F697 PolarHBondContact O-N 2.98Å
694	L	47.3	Very low	44.2	Very low	33 Å²	33	91 Å²	91	17%	0.173	45%	0.446	C	S	.	.	H	α-helix	trans	-64.3	-43.8	172.6	-91.9	167.7	0	0	0	111.5	W670 T689 N690 R696 F697 T698	W670-L694 HydrophobicContact CB-CD1 3.92Å; W670-L694 HydrophobicContact CD2-CD1 3.77Å; W670-L694 HydrophobicContact CE3-CD1 3.46Å; W670-L694 VanDerWaalsContact CE3-CD1 3.46Å; W670-L694 HydrophobicContact CG-CD1 4.05Å; W670-L694 HydrophobicContact CZ3-CD1 4.25Å; T689-L694 VanDerWaalsContact CB-CD1 3.4Å; T689-L694 HydrophobicContact CG2-CD1 4.3Å; T689-L694 HydrophobicContact CG2-CG 4.4Å; T689-L694 WeakPolarHBondContact OG1-CD1 3.49Å; N690-L694 WeakPolarHBondContact O-CB 3.5Å; N690-L694 PolarHBondContact O-N 3.5Å; L694-R696 PolarHBondContact O-N 3.36Å; L694-F697 CarbonylContact O-C 3.58Å; L694-F697 WeakPolarHBondContact O-CA 3.32Å; L694-F697 WeakPolarHBondContact O-CB 3.32Å; L694-F697 PolarHBondContact O-N 2.95Å; L694-T698 PolarHBondContact O-N 2.59Å; L694-T698 PolarHBondContact O-OG1 2.86Å
695	H	54.6	Low	44.4	Very low	19 Å²	19	88.1 Å²	88.1	9%	0.088	43%	0.427	C	S	.	.	H	α-helix	trans	-57.6	-34.6	174.2	-171.6	-100.1	0	0	0	112	D595 S598 V602 L691 K699	D595-H695 IonicContact OD2-CE1 3.18Å; D595-H695 PolarHBondContact OD2-CE1 3.15Å; D595-H695 IonicContact OD2-ND1 2.93Å; D595-H695 PolarHBondContact OD2-ND1 3.3Å; S598-H695 PolarHBondContact OG-CE1 2.98Å; V602-H695 HydrophobicContact CG1-CB 3.92Å; L691-H695 PolarHBondContact O-N 3.09Å; H695-K699 WeakPolarHBondContact O-CB 3.48Å; H695-K699 PolarHBondContact O-N 3.49Å
696	R	53.6	Low	44.6	Very low	120 Å²	120	83.5 Å²	83.5	45%	0.453	41%	0.412	S	S	.	.	H	α-helix	trans	-66.4	-43.1	170.6	-67.1	173.4	-175.3	-175.8	1	112.1	L692 A693 L694 K699 Q700	L692-R696 WeakPolarHBondContact O-CG 3.27Å; L692-R696 PolarHBondContact O-N 2.77Å; A693-R696 WeakPolarHBondContact O-CB 3.36Å; A693-R696 PolarHBondContact O-N 2.71Å; L694-R696 PolarHBondContact O-N 3.36Å; R696-K699 PolarHBondContact O-N 3.25Å; R696-Q700 WeakPolarHBondContact O-CG 3.22Å; R696-Q700 PolarHBondContact O-N 3.27Å
697	F	46.5	Very low	44.9	Very low	104 Å²	104	81.1 Å²	81.1	46%	0.456	41%	0.407	S	S	.	.	H	α-helix	trans	-67.6	-46.1	-179.2	-170.7	-99.4	0	0	0	112.8	A693 L694 K699 Q700 Q701	A693-F697 PolarHBondContact O-N 2.98Å; L694-F697 CarbonylContact O-C 3.58Å; L694-F697 WeakPolarHBondContact O-CA 3.32Å; L694-F697 WeakPolarHBondContact O-CB 3.32Å; L694-F697 PolarHBondContact O-N 2.95Å; F697-K699 PolarHBondContact O-N 3.34Å; F697-Q700 PolarHBondContact O-N 3.26Å; F697-Q701 HydrophobicContact CD1-CG 4.09Å; F697-Q701 HydrophobicContact CE1-CG 3.73Å; F697-Q701 HydrophobicContact CZ-CG 4.05Å; F697-Q701 VanDerWaalsContact CZ-NE2 3.25Å; F697-Q701 PolarHBondContact O-N 3.46Å
698	T	50.6	Low	45.3	Very low	46 Å²	46	84.8 Å²	84.8	28%	0.282	41%	0.411	S	S	.	.	H	α-helix	trans	-56.3	-40.2	175.6	-48.4	0	0	0	0	110.5	L694 F702	L694-T698 PolarHBondContact O-N 2.59Å; L694-T698 PolarHBondContact O-OG1 2.86Å; T698-F702 PolarHBondContact O-N 3.4Å
699	K	50.4	Low	45.2	Very low	88 Å²	88	82.6 Å²	82.6	38%	0.383	41%	0.407	S	S	.	.	H	α-helix	trans	-67.9	-41.8	173.9	-170.3	176.3	-179.5	176.2	0	113	H695 R696 F697 F702 V703	H695-K699 WeakPolarHBondContact O-CB 3.48Å; H695-K699 PolarHBondContact O-N 3.49Å; R696-K699 PolarHBondContact O-N 3.25Å; F697-K699 PolarHBondContact O-N 3.34Å; K699-F702 WeakPolarHBondContact O-CB 3.35Å; K699-F702 PolarHBondContact O-N 3Å; K699-V703 WeakPolarHBondContact O-CG2 3.21Å; K699-V703 PolarHBondContact O-N 3.36Å; K699-V703 VanDerWaalsContact O-N 3.12Å
700	Q	45.3	Very low	44.9	Very low	114 Å²	114	87.3 Å²	87.3	53%	0.533	43%	0.43	S	S	.	.	H	α-helix	trans	-67.7	-37.3	179.6	-76.5	179.6	0	0	0	112.8	R696 F697 F702 V703 R704	R696-Q700 WeakPolarHBondContact O-CG 3.22Å; R696-Q700 PolarHBondContact O-N 3.27Å; F697-Q700 PolarHBondContact O-N 3.26Å; Q700-F702 VanDerWaalsContact C-N 3.33Å; Q700-V703 PolarHBondContact O-N 3.35Å; Q700-R704 PolarHBondContact O-N 3.02Å
701	Q	39.6	Very low	43.9	Very low	93 Å²	93	94.5 Å²	94.5	44%	0.435	46%	0.459	S	S	.	.	H	α-helix	trans	-62.8	-41.3	173.3	-72.7	-146.3	-13.6	0	0	111.6	F697 V703 R704 Q705	F697-Q701 HydrophobicContact CD1-CG 4.09Å; F697-Q701 HydrophobicContact CE1-CG 3.73Å; F697-Q701 HydrophobicContact CZ-CG 4.05Å; F697-Q701 VanDerWaalsContact CZ-NE2 3.25Å; F697-Q701 PolarHBondContact O-N 3.46Å; Q701-V703 PolarHBondContact O-N 2.75Å; Q701-R704 PolarHBondContact O-N 3.43Å; Q701-Q705 PolarHBondContact O-N 3.23Å
702	F	33.7	Very low	42.7	Very low	98 Å²	98	98.8 Å²	98.8	43%	0.43	49%	0.489	S	S	.	.	H	α-helix	trans	-59.8	-45.2	176.1	-173.2	-98.1	0	0	0	112.4	T698 K699 Q700 R704 Q705 N706	T698-F702 PolarHBondContact O-N 3.4Å; K699-F702 WeakPolarHBondContact O-CB 3.35Å; K699-F702 PolarHBondContact O-N 3Å; Q700-F702 VanDerWaalsContact C-N 3.33Å; F702-R704 PolarHBondContact O-N 2.97Å; F702-Q705 PolarHBondContact O-N 3.49Å; F702-N706 VanDerWaalsContact CE1-ND2 3.25Å; F702-N706 WeakPolarHBondContact CE1-ND2 3.41Å; F702-N706 WeakPolarHBondContact CZ-ND2 3.31Å; F702-N706 PolarHBondContact O-N 3.42Å; F702-N706 VanDerWaalsContact O-N 3.1Å
703	V	42.8	Very low	41.2	Very low	90 Å²	90	104 Å²	104	55%	0.545	53%	0.527	S	S	.	.	H	α-helix	trans	-64.6	-39.6	177.6	176.3	0	0	0	0	111.6	K699 Q700 Q701 S707	K699-V703 WeakPolarHBondContact O-CG2 3.21Å; K699-V703 PolarHBondContact O-N 3.36Å; K699-V703 VanDerWaalsContact O-N 3.12Å; Q700-V703 PolarHBondContact O-N 3.35Å; Q701-V703 PolarHBondContact O-N 2.75Å; V703-S707 PolarHBondContact O-N 3.29Å
704	R	34	Very low	40.1	Very low	188 Å²	188	105.3 Å²	105.3	71%	0.709	55%	0.545	S	S	*	.	H	α-helix	trans	-69.1	-37.3	178.7	-77.1	-177.7	173.7	-179.4	-0.4	113.2	Q700 Q701 F702 K708	Q700-R704 PolarHBondContact O-N 3.02Å; Q701-R704 PolarHBondContact O-N 3.43Å; F702-R704 PolarHBondContact O-N 2.97Å; R704-K708 PolarHBondContact O-N 3.1Å
705	Q	36.1	Very low	39	Very low	96 Å²	96	111.5 Å²	111.5	45%	0.449	58%	0.583	S	S	.	*	H	α-helix	trans	-71.9	-41.1	178.4	-74.2	-176.1	-5.7	0	0	111.9	Q701 F702 S707 K708 N709	Q701-Q705 PolarHBondContact O-N 3.23Å; F702-Q705 PolarHBondContact O-N 3.49Å; Q705-S707 VanDerWaalsContact C-N 3.29Å; Q705-S707 PolarHBondContact O-N 3.26Å; Q705-K708 PolarHBondContact O-N 3.37Å; Q705-K708 VanDerWaalsContact O-N 3.14Å; Q705-N709 PolarHBondContact O-N 2.91Å
706	N	35.2	Very low	37.6	Very low	88 Å²	88	114 Å²	114	47%	0.471	62%	0.615	S	S	.	*	H	α-helix	trans	-64.9	-31.1	175.1	-81.9	-9	0	0	0	113.1	F702 K708	F702-N706 VanDerWaalsContact CE1-ND2 3.25Å; F702-N706 WeakPolarHBondContact CE1-ND2 3.41Å; F702-N706 WeakPolarHBondContact CZ-ND2 3.31Å; F702-N706 PolarHBondContact O-N 3.42Å; F702-N706 VanDerWaalsContact O-N 3.1Å; N706-K708 VanDerWaalsContact C-N 3.31Å; N706-K708 PolarHBondContact O-N 2.81Å
707	S	35.8	Very low	36.3	Very low	100 Å²	100	111.5 Å²	111.5	70%	0.699	63%	0.626	S	S	*	*	H	α-helix	trans	-74.7	-18.2	176	-170	0	0	0	0	113.8	V703 Q705	V703-S707 PolarHBondContact O-N 3.29Å; Q705-S707 VanDerWaalsContact C-N 3.29Å; Q705-S707 PolarHBondContact O-N 3.26Å
708	K	39.9	Very low	35.4	Very low	170 Å²	170	115.5 Å²	115.5	74%	0.739	65%	0.646	S	S	*	*	H	α-helix	trans	-97	-25.5	-179.2	-76	-174.2	176.1	-175.8	0	113.8	R704 Q705 N706 N710	R704-K708 PolarHBondContact O-N 3.1Å; Q705-K708 PolarHBondContact O-N 3.37Å; Q705-K708 VanDerWaalsContact O-N 3.14Å; N706-K708 VanDerWaalsContact C-N 3.31Å; N706-K708 PolarHBondContact O-N 2.81Å; K708-N710 VanDerWaalsContact C-N 3.33Å; K708-N710 PolarHBondContact O-N 3.13Å
709	N	37.5	Very low	34.3	Very low	117 Å²	117	118.3 Å²	118.3	63%	0.626	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-81.8	-0.3	-175.2	-79.7	2	0	0	0	115.7	Q705 K711	Q705-N709 PolarHBondContact O-N 2.91Å; N709-K711 PolarHBondContact O-N 2.92Å
710	N	35.7	Very low	33.5	Very low	150 Å²	150	115.9 Å²	115.9	80%	0.802	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-80.4	12.8	177.4	-86.3	-2.4	0	0	0	115.2	K708	K708-N710 VanDerWaalsContact C-N 3.33Å; K708-N710 PolarHBondContact O-N 3.13Å
711	K	35.2	Very low	32.9	Very low	204 Å²	204	117 Å²	117	89%	0.887	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-132.3	8.9	-176.5	-81.8	-170.5	177	-179	0	117.4	N709	N709-K711 PolarHBondContact O-N 2.92Å
712	S	31.9	Very low	32.7	Very low	91 Å²	91	114.1 Å²	114.1	64%	0.636	66%	0.656	S	S	*	*			trans	-145.5	113.1	174.4	57	0	0	0	0	112.3	G714	S712-G714 PolarHBondContact O-N 2.94Å
713	S	27.6	Very low	32.7	Very low	133 Å²	133	114.3 Å²	114.3	93%	0.93	66%	0.655	S	S	*	*			trans	-62.5	111.6	164.5	50.6	0	0	0	0	110
714	G	28.3	Very low	33.1	Very low	69 Å²	69	111.6 Å²	111.6	71%	0.711	64%	0.635	S	S	*	*			trans	-179.8	118.8	176.5	0	0	0	0	0	110.7	S712	S712-G714 PolarHBondContact O-N 2.94Å
715	V	25.8	Very low	34.1	Very low	163 Å²	163	104.4 Å²	104.4	99%	0.988	61%	0.613	S	S	*	*			trans	-45.7	126.9	179.9	177.9	0	0	0	0	112.4
716	G	24.9	Very low	35.2	Very low	72 Å²	72	100.6 Å²	100.6	74%	0.742	60%	0.597	S	S	*	*			trans	161.8	105.3	167.9	0	0	0	0	0	116.3
717	G	25.8	Very low	36.4	Very low	67 Å²	67	96.9 Å²	96.9	69%	0.691	58%	0.578	S	S	*	*			trans	71	88.7	151.8	0	0	0	0	0	118.3	N719	G717-N719 VanDerWaalsContact C-N 3.34Å; G717-N719 PolarHBondContact O-N 3.19Å
718	H	27.3	Very low	37.8	Very low	189 Å²	189	93 Å²	93	88%	0.875	55%	0.551	S	S	*	*			trans	-62.7	94.3	157.1	-96.8	-71.4	0	0	0	109.4	V720	H718-V720 PolarHBondContact O-N 2.79Å
719	N	27.6	Very low	38.9	Very low	104 Å²	104	86.4 Å²	86.4	56%	0.556	53%	0.531	S	S	*	.			trans	-74.3	89.2	173.2	-89.7	-20.1	0	0	0	110.5	G717 L721	G717-N719 VanDerWaalsContact C-N 3.34Å; G717-N719 PolarHBondContact O-N 3.19Å; N719-L721 PolarHBondContact O-N 2.75Å
720	V	34.1	Very low	40.1	Very low	38 Å²	38	84.1 Å²	84.1	23%	0.23	52%	0.522	C	S	.	.	G	3₁₀ helix	trans	-76.1	6.2	174.1	-179.5	0	0	0	0	112.5	H718 G722 Y723 Y724	H718-V720 PolarHBondContact O-N 2.79Å; V720-G722 PolarHBondContact O-N 2.85Å; V720-Y723 PolarHBondContact O-N 2.67Å; V720-Y724 HydrophobicContact CG1-CE2 4.11Å
721	L	33	Very low	41.5	Very low	137 Å²	137	81.9 Å²	81.9	72%	0.717	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-58.7	-13.1	-178.9	-86.4	150.4	0	0	0	115.3	N719 Y723	N719-L721 PolarHBondContact O-N 2.75Å; L721-Y723 VanDerWaalsContact C-N 3.33Å; L721-Y723 PolarHBondContact O-N 3.33Å
722	G	35.1	Very low	43.2	Very low	33 Å²	33	72.8 Å²	72.8	34%	0.34	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-77.1	-10.6	177.2	0	0	0	0	0	115.4	V720	V720-G722 PolarHBondContact O-N 2.85Å
723	Y	34.1	Very low	45.2	Very low	102 Å²	102	69 Å²	69	40%	0.4	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-85.6	-13.5	-174.4	-106.2	-87.8	0	0	0	114.9	L216 Q600 V720 L721	L216-Y723 HydrophobicContact CD2-CE1 3.93Å; Q600-Y723 PolarHBondContact NE2-O 3.16Å; V720-Y723 PolarHBondContact O-N 2.67Å; L721-Y723 VanDerWaalsContact C-N 3.33Å; L721-Y723 PolarHBondContact O-N 3.33Å
724	Y	50.7	Low	47.4	Very low	33 Å²	33	66.1 Å²	66.1	13%	0.129	42%	0.42	C	S	.	.			trans	-145.7	38.4	-154.2	-54.1	-68.2	0	0	0	117.1	R198 Q202 V720	R198-Y724 VanDerWaalsContact CD-CE1 3.42Å; R198-Y724 HydrophobicContact CG-CD1 4.35Å; R198-Y724 HydrophobicContact CG-CE1 3.71Å; R198-Y724 HydrophobicContact CG-CE2 4.37Å; Q202-Y724 HydrophobicContact CB-CD1 4.22Å; Q202-Y724 HydrophobicContact CG-CD1 4.39Å; Q202-Y724 HydrophobicContact CG-CG 4.34Å; Q202-Y724 PolarHBondContact NE2-O 2.94Å; V720-Y724 HydrophobicContact CG1-CE2 4.11Å
725	S	54.8	Low	49.5	Very low	36 Å²	36	64.6 Å²	64.6	25%	0.252	40%	0.4	S	S	.	.			trans	-104.1	66.7	-179.6	-159.4	0	0	0	0	111.3	W670	W670-S725 VanDerWaalsContact CH2-OG 3.24Å; W670-S725 WeakPolarHBondContact CH2-OG 3.32Å
726	S	59	Low	51.9	Low	17 Å²	17	56.8 Å²	56.8	12%	0.119	35%	0.353	C	S	.	.			trans	-98.2	131.4	170.7	-52	0	0	0	0	108.8	L201 Q601	L201-S726 WeakPolarHBondContact CD2-O 3.31Å; Q601-S726 WeakPolarHBondContact O-CB 2.98Å; Q601-S726 PolarHBondContact O-OG 3.02Å
727	A	60.2	Low	54.4	Low	9 Å²	9	54.7 Å²	54.7	7%	0.074	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-96.4	124.2	169.9	0	0	0	0	0	111.4	V602 G603 Q604 W670 L691 V732	V602-A727 PolarHBondContact O-N 2.74Å; V602-A727 VanDerWaalsContact O-N 3.14Å; G603-A727 CarbonylContact C-O 3.55Å; G603-A727 WeakPolarHBondContact CA-O 3.41Å; Q604-A727 PolarHBondContact N-O 3.19Å; Q604-A727 VanDerWaalsContact N-O 3.1Å; W670-A727 VanDerWaalsContact CD1-CB 3.49Å; W670-A727 HydrophobicContact CD2-CB 4.16Å; W670-A727 HydrophobicContact CG-CB 4.33Å; W670-A727 HydrophobicContact CZ2-CB 3.56Å; L691-A727 HydrophobicContact CD1-CB 4.39Å; A727-V732 HydrophobicContact CB-CG1 3.99Å; A727-V732 HydrophobicContact CB-CG2 4.02Å
728	T	66	Low	57	Low	20 Å²	20	54.1 Å²	54.1	12%	0.123	31%	0.314	C	S	.	.			trans	-142.3	156.6	174.8	67.6	0	0	0	0	108.2	L201 C205 Q604	L201-T728 WeakPolarHBondContact CD1-OG1 3.44Å; L201-T728 WeakPolarHBondContact CG-OG1 3.28Å; C205-T728 WeakPolarHBondContact SG-CG2 3.27Å; Q604-T728 HydrophobicContact CB-CG2 3.37Å
729	G	62.8	Low	59.6	Low	31 Å²	31	47.6 Å²	47.6	32%	0.32	28%	0.284	S	S	.	.	S	Bend	trans	134.5	161.7	177.1	0	0	0	0	0	112.1	D731 V732 S733	G729-D731 VanDerWaalsContact C-N 3.28Å; G729-D731 PolarHBondContact O-N 3.47Å; G729-V732 PolarHBondContact O-N 3.25Å; G729-V732 VanDerWaalsContact O-N 3.14Å; G729-S733 PolarHBondContact O-N 2.96Å; G729-S733 PolarHBondContact O-OG 3.36Å
730	P	63.2	Low	62.3	Low	68 Å²	68	44.7 Å²	44.7	44%	0.442	27%	0.269	S	S	.	.	H	α-helix	trans	-57.1	-42.7	-179.3	23.5	-32.6	0	0	0	111.4	V732 S733 D734	P730-V732 VanDerWaalsContact C-N 3.29Å; P730-V732 PolarHBondContact O-N 3Å; P730-S733 VanDerWaalsContact CA-OG 3.28Å; P730-S733 WeakPolarHBondContact CA-OG 3.31Å; P730-S733 CarbonylContact O-C 3.27Å; P730-S733 PolarHBondContact O-N 3.12Å; P730-S733 VanDerWaalsContact O-N 3.15Å; P730-S733 PolarHBondContact O-OG 2.82Å; P730-D734 WeakPolarHBondContact O-CB 3.44Å; P730-D734 VanDerWaalsContact O-CG 3.25Å; P730-D734 PolarHBondContact O-N 3.17Å
731	D	64.8	Low	64.7	Low	104 Å²	104	46.5 Å²	46.5	56%	0.556	27%	0.274	S	S	*	.	H	α-helix	trans	-62.3	-35.6	179.1	-53.4	-29.8	0	0	0	112.9	G729 A735	G729-D731 VanDerWaalsContact C-N 3.28Å; G729-D731 PolarHBondContact O-N 3.47Å; D731-A735 VanDerWaalsContact O-CB 3.26Å; D731-A735 WeakPolarHBondContact O-CB 3.35Å; D731-A735 PolarHBondContact O-N 3.46Å
732	V	71.1	Confident	67.1	Low	13 Å²	13	46.5 Å²	46.5	8%	0.079	27%	0.269	C	S	.	.	H	α-helix	trans	-71.7	-43.2	177.3	-179.8	0	0	0	0	109.7	L691 A727 G729 P730 D734 A735 C736	L691-V732 HydrophobicContact CD1-CG1 4.21Å; A727-V732 HydrophobicContact CB-CG1 3.99Å; A727-V732 HydrophobicContact CB-CG2 4.02Å; G729-V732 PolarHBondContact O-N 3.25Å; G729-V732 VanDerWaalsContact O-N 3.14Å; P730-V732 VanDerWaalsContact C-N 3.29Å; P730-V732 PolarHBondContact O-N 3Å; V732-D734 VanDerWaalsContact C-N 3.34Å; V732-A735 PolarHBondContact O-N 2.85Å; V732-C736 WeakPolarHBondContact O-CB 3.35Å; V732-C736 PolarHBondContact O-N 3.17Å; V732-C736 PolarHBondContact O-SG 3.09Å
733	S	74.3	Confident	69.2	Low	11 Å²	11	46 Å²	46	8%	0.077	26%	0.259	C	S	.	.	H	α-helix	trans	-63.6	-40.6	175	46.2	0	0	0	0	111.8	W664 G729 P730 C736 A737	W664-S733 WeakPolarHBondContact CZ3-O 3.11Å; G729-S733 PolarHBondContact O-N 2.96Å; G729-S733 PolarHBondContact O-OG 3.36Å; P730-S733 VanDerWaalsContact CA-OG 3.28Å; P730-S733 WeakPolarHBondContact CA-OG 3.31Å; P730-S733 CarbonylContact O-C 3.27Å; P730-S733 PolarHBondContact O-N 3.12Å; P730-S733 VanDerWaalsContact O-N 3.15Å; P730-S733 PolarHBondContact O-OG 2.82Å; S733-C736 CarbonylContact O-C 3.55Å; S733-C736 PolarHBondContact O-N 3.05Å; S733-A737 VanDerWaalsContact O-CB 3.29Å; S733-A737 WeakPolarHBondContact O-CB 3.15Å; S733-A737 PolarHBondContact O-N 2.76Å
734	D	72.9	Confident	71	Confident	73 Å²	73	53 Å²	53	39%	0.39	29%	0.285	S	S	.	.	H	α-helix	trans	-66.1	-41.7	178.1	-72.4	-13.5	0	0	0	111.1	W634 P730 V732 C736 A737	W634-D734 VanDerWaalsContact CD1-OD1 3.3Å; W634-D734 PolarHBondContact NE1-OD1 2.94Å; P730-D734 WeakPolarHBondContact O-CB 3.44Å; P730-D734 VanDerWaalsContact O-CG 3.25Å; P730-D734 PolarHBondContact O-N 3.17Å; V732-D734 VanDerWaalsContact C-N 3.34Å; D734-C736 VanDerWaalsContact C-N 3.3Å; D734-C736 PolarHBondContact O-N 3.37Å; D734-A737 PolarHBondContact O-N 2.9Å
735	A	71.9	Confident	72.2	Confident	36 Å²	36	57.5 Å²	57.5	30%	0.298	30%	0.302	S	S	.	.	H	α-helix	trans	-69.2	-26.6	175.4	0	0	0	0	0	113.6	S668 D731 V732	S668-A735 PolarHBondContact OG-O 3.07Å; D731-A735 VanDerWaalsContact O-CB 3.26Å; D731-A735 WeakPolarHBondContact O-CB 3.35Å; D731-A735 PolarHBondContact O-N 3.46Å; V732-A735 PolarHBondContact O-N 2.85Å
736	C	76.2	Confident	73.3	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-85.6	-27.9	175.1	-68.7	0	0	0	0	112.5	L605 W664 N665 G669 V732 S733 D734 S738	L605-C736 HydrophobicContact CD2-CB 3.68Å; L605-C736 VanDerWaalsContact CD2-SG 3.53Å; W664-C736 CarbonylContact C-O 3.07Å; W664-C736 WeakPolarHBondContact CA-O 3.42Å; W664-C736 HydrophobicContact CE3-CB 4.06Å; N665-C736 PolarHBondContact N-O 2.95Å; G669-C736 WeakPolarHBondContact CA-SG 3.23Å; V732-C736 WeakPolarHBondContact O-CB 3.35Å; V732-C736 PolarHBondContact O-N 3.17Å; V732-C736 PolarHBondContact O-SG 3.09Å; S733-C736 CarbonylContact O-C 3.55Å; S733-C736 PolarHBondContact O-N 3.05Å; D734-C736 VanDerWaalsContact C-N 3.3Å; D734-C736 PolarHBondContact O-N 3.37Å; C736-S738 PolarHBondContact O-N 3.41Å; C736-S738 VanDerWaalsContact O-N 3.12Å
737	A	78.7	Confident	74.5	Confident	28 Å²	28	56 Å²	56	23%	0.231	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	112.2	-178.7	0	0	0	0	0	109	W664 S733 D734	W664-A737 HydrophobicContact CE3-CB 4.28Å; W664-A737 HydrophobicContact CZ3-CB 4.06Å; S733-A737 VanDerWaalsContact O-CB 3.29Å; S733-A737 WeakPolarHBondContact O-CB 3.15Å; S733-A737 PolarHBondContact O-N 2.76Å; D734-A737 PolarHBondContact O-N 2.9Å
738	S	78.6	Confident	75.9	Confident	54 Å²	54	55.6 Å²	55.6	38%	0.378	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-48.8	177.9	60.2	0	0	0	0	111.5	I663 C736	I663-S738 WeakPolarHBondContact CG2-OG 3.48Å; I663-S738 PolarHBondContact O-N 2.8Å; I663-S738 PolarHBondContact O-OG 3.44Å; C736-S738 PolarHBondContact O-N 3.41Å; C736-S738 VanDerWaalsContact O-N 3.12Å
739	E	82.4	Confident	77	Confident	53 Å²	53	56 Å²	56	25%	0.248	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	139	-177.7	-63.3	172.6	-178.9	0	0	108.5	G341 T342 I663 F741	G341-E739 WeakPolarHBondContact CA-OE1 3.47Å; T342-E739 VanDerWaalsContact CB-OE2 3.32Å; T342-E739 WeakPolarHBondContact CB-OE2 3.32Å; T342-E739 PolarHBondContact N-OE1 3.24Å; T342-E739 PolarHBondContact N-OE2 3.19Å; T342-E739 VanDerWaalsContact O-OE2 3.1Å; I663-E739 HydrophobicContact CB-CB 4.26Å; I663-E739 HydrophobicContact CD1-CB 4.36Å; I663-E739 PolarHBondContact N-O 2.87Å; I663-E739 PolarHBondContact O-N 2.74Å; E739-F741 HydrophobicContact CB-CE2 3.89Å; E739-F741 HydrophobicContact CB-CZ 4.16Å
740	V	84	Confident	78.3	Confident	42 Å²	42	54.7 Å²	54.7	26%	0.255	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	126	173.9	-177.5	0	0	0	0	109	W634 L661 R662 F742	W634-V740 HydrophobicContact CH2-CB 4.4Å; W634-V740 HydrophobicContact CH2-CG2 3.87Å; W634-V740 HydrophobicContact CZ3-CB 4.21Å; W634-V740 HydrophobicContact CZ3-CG1 4.08Å; W634-V740 HydrophobicContact CZ3-CG2 3.81Å; L661-V740 CarbonylContact O-C 3.57Å; L661-V740 WeakPolarHBondContact O-CA 3.39Å; R662-V740 HydrophobicContact CB-CG2 4.36Å; R662-V740 HydrophobicContact CG-CG1 3.97Å; R662-V740 HydrophobicContact CG-CG2 4.12Å; V740-F742 HydrophobicContact CG1-CD2 4.09Å; V740-F742 HydrophobicContact CG1-CE1 4.49Å; V740-F742 HydrophobicContact CG1-CE2 3.52Å; V740-F742 HydrophobicContact CG1-CZ 3.76Å
741	F	84.5	Confident	79.7	Confident	77 Å²	77	52.5 Å²	52.5	34%	0.338	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	134.6	175.9	-53.2	-86.4	0	0	0	108.8	T344 A660 L661 I663 E739	T344-F741 WeakPolarHBondContact OG1-CE2 3.42Å; A660-F741 CarbonylContact C-O 3.58Å; A660-F741 WeakPolarHBondContact CA-O 3.3Å; L661-F741 HydrophobicContact CB-CB 4.26Å; L661-F741 HydrophobicContact CD2-CD2 4.1Å; L661-F741 HydrophobicContact CG-CD2 4.37Å; L661-F741 PolarHBondContact N-O 3.22Å; L661-F741 PolarHBondContact O-N 3.14Å; I663-F741 HydrophobicContact CD1-CE2 3.89Å; I663-F741 HydrophobicContact CG1-CE2 4.48Å; E739-F741 HydrophobicContact CB-CE2 3.89Å; E739-F741 HydrophobicContact CB-CZ 4.16Å
742	F	83.2	Confident	81	Confident	136 Å²	136	49.2 Å²	49.2	60%	0.596	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	125.8	173.1	-68.6	-84.4	0	0	0	109.4	W634 A660 V740	W634-F742 HydrophobicContact CZ3-CZ 4.39Å; A660-F742 HydrophobicContact CB-CD1 3.79Å; A660-F742 HydrophobicContact CB-CE1 3.69Å; V740-F742 HydrophobicContact CG1-CD2 4.09Å; V740-F742 HydrophobicContact CG1-CE1 4.49Å; V740-F742 HydrophobicContact CG1-CE2 3.52Å; V740-F742 HydrophobicContact CG1-CZ 3.76Å
743	T	80.6	Confident	81.9	Confident	23 Å²	23	49.1 Å²	49.1	14%	0.141	24%	0.239	C	C	.	.			trans	-92.7	134.7	168.6	83.6	0	0	0	0	107.3	L346 G659 R745 T746	L346-T743 HydrophobicContact CD1-CG2 4.18Å; L346-T743 HydrophobicContact CD2-CG2 3.4Å; L346-T743 HydrophobicContact CG-CG2 4.42Å; G659-T743 VanDerWaalsContact CA-OG1 3.27Å; G659-T743 WeakPolarHBondContact CA-OG1 3.44Å; G659-T743 WeakPolarHBondContact O-CG2 3.37Å; G659-T743 PolarHBondContact O-N 3.31Å; G659-T743 PolarHBondContact O-OG1 3.16Å; T743-R745 VanDerWaalsContact C-N 3.28Å; T743-R745 PolarHBondContact O-N 3.09Å; T743-T746 WeakPolarHBondContact OG1-CA 3.39Å; T743-T746 PolarHBondContact OG1-N 3.22Å; T743-T746 VanDerWaalsContact OG1-N 3.1Å; T743-T746 PolarHBondContact OG1-O 3.1Å
744	R	71.3	Confident	82.4	Confident	249 Å²	249	50 Å²	50	94%	0.94	24%	0.244	S	C	*	.	S	Bend	trans	-70.3	-27.2	-179.1	-72.2	-174.3	177.7	-175.9	-0.7	112.8
745	R	75.4	Confident	82.7	Confident	128 Å²	128	47.3 Å²	47.3	48%	0.483	23%	0.229	S	C	.	.	S	Bend	trans	-150.3	17	-167.3	-63.5	-170.9	178	158.3	-1.7	114.1	T743 Y765 N766	T743-R745 VanDerWaalsContact C-N 3.28Å; T743-R745 PolarHBondContact O-N 3.09Å; R745-Y765 HydrophobicContact CB-CD2 3.96Å; R745-Y765 HydrophobicContact CB-CE2 3.62Å; R745-Y765 VanDerWaalsContact CD-CZ 3.42Å; R745-Y765 WeakPolarHBondContact CD-OH 3.43Å; R745-Y765 HydrophobicContact CG-CE2 4.21Å; R745-Y765 PolarHBondContact NH1-OH 3.22Å; R745-Y765 CarbonylContact O-C 3.53Å; R745-Y765 WeakPolarHBondContact O-CA 3.17Å; R745-N766 PolarHBondContact O-N 3.29Å
746	T	78.7	Confident	83	Confident	10 Å²	10	45.9 Å²	45.9	6%	0.061	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-124.2	108.3	-176.7	-51.4	0	0	0	0	110.5	L346 T348 G659 T743 P764	L346-T746 HydrophobicContact CD1-CG2 4.1Å; L346-T746 HydrophobicContact CD2-CG2 4.25Å; L346-T746 HydrophobicContact CG-CG2 4.38Å; T348-T746 HydrophobicContact CG2-CG2 4.04Å; T348-T746 WeakPolarHBondContact CG2-OG1 3.5Å; T348-T746 WeakPolarHBondContact OG1-CG2 3.28Å; T348-T746 PolarHBondContact OG1-OG1 3.09Å; G659-T746 VanDerWaalsContact CA-O 3.29Å; G659-T746 WeakPolarHBondContact CA-O 3.49Å; T743-T746 WeakPolarHBondContact OG1-CA 3.39Å; T743-T746 PolarHBondContact OG1-N 3.22Å; T743-T746 VanDerWaalsContact OG1-N 3.1Å; T743-T746 PolarHBondContact OG1-O 3.1Å; T746-P764 WeakPolarHBondContact CA-O 3.41Å
747	S	84.8	Confident	83.1	Confident	10 Å²	10	47.5 Å²	47.5	7%	0.07	22%	0.223	C	C	.	.			trans	-64	137.6	170.7	-63	0	0	0	0	109.6	L657 L749 G763 P764 N766	L657-S747 PolarHBondContact O-OG 2.83Å; S747-L749 PolarHBondContact O-N 2.62Å; S747-G763 VanDerWaalsContact O-CA 3.25Å; S747-G763 WeakPolarHBondContact O-CA 3.47Å; S747-P764 PolarHBondContact N-O 3.28Å; S747-N766 PolarHBondContact OG-ND2 3.07Å; S747-N766 PolarHBondContact OG-OD1 2.99Å
748	V	88.5	Confident	83.5	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.006	23%	0.227	C	C	.	.			trans	-97.3	95.5	-178.1	-175.4	0	0	0	0	110	S641 G656 L751 A761	S641-V748 PolarHBondContact OG-O 3.05Å; G656-V748 PolarHBondContact O-N 2.82Å; V748-L751 HydrophobicContact CG1-CD1 4.45Å; V748-L751 HydrophobicContact CG1-CD2 3.74Å; V748-L751 HydrophobicContact CG1-CG 3.93Å; V748-A761 HydrophobicContact CG1-CB 4.15Å
749	L	89.8	Confident	84.1	Confident	28 Å²	28	46.3 Å²	46.3	15%	0.147	21%	0.209	C	C	.	.			trans	-93.1	-24.2	-177.6	-62.3	-175.1	0	0	0	113.4	V366 C369 V640 L657 S747 A762 P764	V366-L749 HydrophobicContact CG1-CD1 4.25Å; V366-L749 WeakPolarHBondContact O-CD1 3.12Å; C369-L749 VanDerWaalsContact SG-C 3.55Å; V640-L749 HydrophobicContact CG1-CD2 4.01Å; L657-L749 HydrophobicContact CD2-CD2 3.93Å; S747-L749 PolarHBondContact O-N 2.62Å; L749-A762 PolarHBondContact N-O 3.32Å; L749-P764 VanDerWaalsContact CD1-CD 3.42Å; L749-P764 HydrophobicContact CD1-CG 3.94Å
750	G	89.8	Confident	84.6	Confident	5 Å²	5	44.1 Å²	44.1	5%	0.052	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	137.7	-177.6	0	0	0	0	0	111.6	C369 A761 A762	C369-G750 WeakPolarHBondContact SG-CA 3.41Å; C369-G750 PolarHBondContact SG-N 3.39Å; G750-A761 CarbonylContact O-C 3.57Å; G750-A761 WeakPolarHBondContact O-CA 3.37Å; G750-A762 PolarHBondContact N-O 2.98Å; G750-A762 PolarHBondContact O-N 2.96Å
751	L	93.1	Very high	85	Confident	22 Å²	22	42.1 Å²	42.1	12%	0.115	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	134.5	177.8	-72.8	175	0	0	0	109.9	S641 A643 A653 L661 V748 L759 L760 A761	S641-L751 WeakPolarHBondContact OG-CD1 3.46Å; A643-L751 HydrophobicContact CB-CB 3.9Å; A653-L751 HydrophobicContact CB-CD1 4.05Å; L661-L751 HydrophobicContact CD1-CD1 3.8Å; L661-L751 HydrophobicContact CD1-CD2 3.49Å; L661-L751 VanDerWaalsContact CD1-CD2 3.49Å; L661-L751 HydrophobicContact CD1-CG 4.3Å; V748-L751 HydrophobicContact CG1-CD1 4.45Å; V748-L751 HydrophobicContact CG1-CD2 3.74Å; V748-L751 HydrophobicContact CG1-CG 3.93Å; L751-L759 HydrophobicContact CD2-CD1 4.22Å; L751-L759 HydrophobicContact CD2-CD2 4.5Å; L751-L759 HydrophobicContact CD2-CG 4.42Å; L751-L760 WeakPolarHBondContact CA-O 3.17Å; L751-A761 HydrophobicContact CD2-CB 3.68Å
752	H	92.1	Very high	85.4	Confident	34 Å²	34	38.5 Å²	38.5	16%	0.157	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	125.8	176.1	-172	62	0	0	0	110.8	F371 S372 D373 L760	F371-H752 HydrophobicContact CB-CB 3.79Å; F371-H752 HydrophobicContact CD2-CB 3.63Å; F371-H752 HydrophobicContact CE2-CB 4.45Å; F371-H752 HydrophobicContact CG-CB 3.92Å; S372-H752 PolarHBondContact O-NE2 2.99Å; D373-H752 PolarHBondContact O-NE2 2.82Å; D373-H752 IonicContact OD1-CE1 3.05Å; H752-L760 PolarHBondContact N-O 3.35Å; H752-L760 PolarHBondContact O-N 2.88Å
753	Y	89.4	Confident	85.7	Confident	12 Å²	12	32 Å²	32	5%	0.047	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	116.1	170.3	-83	-84.6	0	0	0	108.8	T342 A643 F644 C645 P646 A653 L759	T342-Y753 HydrophobicContact CG2-CE1 3.9Å; A643-Y753 HydrophobicContact CB-CD2 3.9Å; A643-Y753 HydrophobicContact CB-CE2 4.17Å; A643-Y753 WeakPolarHBondContact O-CE2 3.47Å; F644-Y753 WeakPolarHBondContact O-CD2 3.3Å; C645-Y753 HydrophobicContact CB-CD1 4.3Å; C645-Y753 HydrophobicContact CB-CD2 4.49Å; C645-Y753 HydrophobicContact CB-CE1 4.12Å; C645-Y753 HydrophobicContact CB-CE2 4.34Å; C645-Y753 HydrophobicContact CB-CG 4.47Å; P646-Y753 VanDerWaalsContact CD-CB 3.44Å; A653-Y753 HydrophobicContact CB-CE2 3.65Å; A653-Y753 WeakPolarHBondContact CB-OH 3.08Å; Y753-L759 HydrophobicContact CD1-CB 4.2Å; Y753-L759 HydrophobicContact CD1-CD1 4.1Å; Y753-L759 HydrophobicContact CD2-CD1 3.78Å; Y753-L759 HydrophobicContact CE1-CB 4.06Å; Y753-L759 HydrophobicContact CE1-CD1 4.12Å; Y753-L759 HydrophobicContact CE1-CD2 4.46Å; Y753-L759 HydrophobicContact CE1-CG 4.45Å; Y753-L759 HydrophobicContact CE2-CD1 3.77Å; Y753-L759 HydrophobicContact CG-CD1 3.95Å
754	V	84.3	Confident	86	Confident	28 Å²	28	31.7 Å²	31.7	17%	0.17	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	-39.9	170.3	-171.1	0	0	0	0	109.5	L758 L760	V754-L758 HydrophobicContact CB-CB 4.41Å; V754-L758 HydrophobicContact CB-CD2 4.16Å; V754-L758 HydrophobicContact CB-CG 4.39Å; V754-L758 HydrophobicContact CG2-CD2 4.01Å; V754-L758 HydrophobicContact CG2-CG 4.21Å; V754-L758 PolarHBondContact N-O 2.92Å; V754-L760 HydrophobicContact CG2-CD1 3.63Å; V754-L760 HydrophobicContact CG2-CD2 4.25Å; V754-L760 HydrophobicContact CG2-CG 3.64Å
755	H	78.8	Confident	86.4	Confident	17 Å²	17	24 Å²	24	8%	0.079	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	158.3	-173	-155.8	0.2	0	0	0	107.9	I323 L326 Y757 L758	I323-H755 WeakPolarHBondContact CA-CE1 2.77Å; I323-H755 VanDerWaalsContact CA-NE2 3.34Å; I323-H755 WeakPolarHBondContact CA-NE2 3.31Å; I323-H755 WeakPolarHBondContact CB-CE1 3.49Å; I323-H755 WeakPolarHBondContact CG1-CE1 3.28Å; I323-H755 VanDerWaalsContact CG1-ND1 3.28Å; I323-H755 WeakPolarHBondContact CG1-ND1 3.37Å; I323-H755 WeakPolarHBondContact CG2-CE1 3.38Å; I323-H755 PolarHBondContact O-CE1 3.43Å; I323-H755 VanDerWaalsContact O-CE1 3.23Å; I323-H755 PolarHBondContact O-NE2 2.87Å; L326-H755 VanDerWaalsContact CB-NE2 3.35Å; L326-H755 WeakPolarHBondContact CB-NE2 3.41Å; L326-H755 WeakPolarHBondContact CD1-CD2 3.12Å; L326-H755 VanDerWaalsContact CD1-NE2 3.29Å; L326-H755 WeakPolarHBondContact CD1-NE2 3.07Å; H755-Y757 AromaticContact CD2-CD2 3.82Å; H755-Y757 AromaticContact CE1-CE2 3.96Å; H755-Y757 AromaticContact NE2-CD2 3.78Å; H755-Y757 AromaticContact NE2-CE2 3.89Å; H755-Y757 PolarHBondContact O-N 2.93Å; H755-L758 PolarHBondContact O-N 2.88Å; H755-L758 VanDerWaalsContact O-O 3.11Å
756	P	78	Confident	86.1	Confident	7 Å²	7	20.4 Å²	20.4	5%	0.045	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-14.5	177.5	-31.4	40.9	0	0	0	115.8	C645	C645-P756 VanDerWaalsContact SG-CA 3.55Å; C645-P756 WeakPolarHBondContact SG-CB 3.44Å
757	Y	79.3	Confident	85.1	Confident	34 Å²	34	27 Å²	27	13%	0.133	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-21.5	177.9	-53.1	-82.8	0	0	0	114.1	L327 Y330 I340 S343 H755	L327-Y757 WeakPolarHBondContact CA-OH 3.37Å; Y330-Y757 HydrophobicContact CD1-CE1 4.06Å; Y330-Y757 HydrophobicContact CD2-CD1 4.33Å; Y330-Y757 AromaticContact CD2-CE1 3.72Å; Y330-Y757 HydrophobicContact CD2-CE1 3.72Å; Y330-Y757 HydrophobicContact CE2-CE1 4.19Å; Y330-Y757 AromaticContact CG-CE1 3.64Å; Y330-Y757 HydrophobicContact CG-CE1 3.64Å; I340-Y757 HydrophobicContact CB-CD1 4.41Å; I340-Y757 HydrophobicContact CB-CE1 3.99Å; I340-Y757 HydrophobicContact CD1-CE1 3.83Å; I340-Y757 VanDerWaalsContact CD1-OH 3.31Å; I340-Y757 WeakPolarHBondContact CD1-OH 3.33Å; I340-Y757 HydrophobicContact CG1-CE1 3.72Å; I340-Y757 HydrophobicContact CG2-CD1 3.12Å; I340-Y757 HydrophobicContact CG2-CE1 3.08Å; I340-Y757 HydrophobicContact CG2-CG 4.14Å; S343-Y757 WeakPolarHBondContact CB-O 3.15Å; S343-Y757 PolarHBondContact N-O 3.29Å; H755-Y757 AromaticContact CD2-CD2 3.82Å; H755-Y757 AromaticContact CE1-CE2 3.96Å; H755-Y757 AromaticContact NE2-CD2 3.78Å; H755-Y757 AromaticContact NE2-CE2 3.89Å; H755-Y757 PolarHBondContact O-N 2.93Å
758	L	87.2	Confident	83.2	Confident	57 Å²	57	34.8 Å²	34.8	30%	0.298	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	116.6	-169.4	-177.8	63.5	0	0	0	111	S343 V345 V754 H755 L760	S343-L758 WeakPolarHBondContact O-CA 3.17Å; V345-L758 HydrophobicContact CG2-CD1 3.78Å; V754-L758 HydrophobicContact CB-CB 4.41Å; V754-L758 HydrophobicContact CB-CD2 4.16Å; V754-L758 HydrophobicContact CB-CG 4.39Å; V754-L758 HydrophobicContact CG2-CD2 4.01Å; V754-L758 HydrophobicContact CG2-CG 4.21Å; V754-L758 PolarHBondContact N-O 2.92Å; H755-L758 PolarHBondContact O-N 2.88Å; H755-L758 VanDerWaalsContact O-O 3.11Å; L758-L760 HydrophobicContact CD1-CD2 4.34Å; L758-L760 HydrophobicContact CD2-CD2 4.4Å; L758-L760 HydrophobicContact CG-CD2 4.22Å
759	L	91.1	Very high	82.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.4	175.3	178.4	60.3	0	0	0	109.4	T342 S343 T344 V345 A653 L661 I663 L751 Y753	T342-L759 HydrophobicContact CG2-CB 3.93Å; S343-L759 PolarHBondContact O-N 2.9Å; T344-L759 CarbonylContact C-O 3.52Å; T344-L759 VanDerWaalsContact CA-O 3.26Å; T344-L759 WeakPolarHBondContact CA-O 3.44Å; T344-L759 HydrophobicContact CG2-CG 4.47Å; V345-L759 PolarHBondContact N-O 3.45Å; A653-L759 HydrophobicContact CB-CD1 4.16Å; A653-L759 HydrophobicContact CB-CD2 3.6Å; L661-L759 HydrophobicContact CD1-CD2 4.21Å; L661-L759 HydrophobicContact CD2-CD2 3.84Å; L661-L759 HydrophobicContact CG-CD2 4.37Å; I663-L759 HydrophobicContact CD1-CD2 4.01Å; I663-L759 HydrophobicContact CG1-CD2 4.3Å; L751-L759 HydrophobicContact CD2-CD1 4.22Å; L751-L759 HydrophobicContact CD2-CD2 4.5Å; L751-L759 HydrophobicContact CD2-CG 4.42Å; Y753-L759 HydrophobicContact CD1-CB 4.2Å; Y753-L759 HydrophobicContact CD1-CD1 4.1Å; Y753-L759 HydrophobicContact CD2-CD1 3.78Å; Y753-L759 HydrophobicContact CE1-CB 4.06Å; Y753-L759 HydrophobicContact CE1-CD1 4.12Å; Y753-L759 HydrophobicContact CE1-CD2 4.46Å; Y753-L759 HydrophobicContact CE1-CG 4.45Å; Y753-L759 HydrophobicContact CE2-CD1 3.77Å; Y753-L759 HydrophobicContact CG-CD1 3.95Å
760	L	92.8	Very high	82.6	Confident	6 Å²	6	36.9 Å²	36.9	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	134.3	170	-53.3	-176.3	0	0	0	109.1	V345 Y347 F371 L751 H752 V754 L758	V345-L760 HydrophobicContact CB-CD2 3.79Å; V345-L760 HydrophobicContact CG1-CD2 4.37Å; V345-L760 HydrophobicContact CG2-CD2 4.43Å; V345-L760 WeakPolarHBondContact O-CA 3.4Å; Y347-L760 HydrophobicContact CE2-CB 4.45Å; Y347-L760 HydrophobicContact CE2-CD1 4.28Å; Y347-L760 HydrophobicContact CE2-CD2 4.07Å; Y347-L760 HydrophobicContact CE2-CG 4.48Å; F371-L760 HydrophobicContact CD1-CB 4.44Å; F371-L760 HydrophobicContact CD1-CD1 4.06Å; F371-L760 HydrophobicContact CE1-CB 3.95Å; F371-L760 HydrophobicContact CE1-CD1 4.04Å; F371-L760 HydrophobicContact CE2-CB 4.05Å; F371-L760 HydrophobicContact CZ-CB 3.72Å; L751-L760 WeakPolarHBondContact CA-O 3.17Å; H752-L760 PolarHBondContact N-O 3.35Å; H752-L760 PolarHBondContact O-N 2.88Å; V754-L760 HydrophobicContact CG2-CD1 3.63Å; V754-L760 HydrophobicContact CG2-CD2 4.25Å; V754-L760 HydrophobicContact CG2-CG 3.64Å; L758-L760 HydrophobicContact CD1-CD2 4.34Å; L758-L760 HydrophobicContact CD2-CD2 4.4Å; L758-L760 HydrophobicContact CG-CD2 4.22Å
761	A	92.4	Very high	82.2	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	139.8	173.3	0	0	0	0	0	109.2	T344 V345 L346 Y347 L661 V748 G750 L751	T344-A761 HydrophobicContact CG2-CB 4.34Å; V345-A761 PolarHBondContact O-N 3.4Å; L346-A761 CarbonylContact C-O 3.47Å; L346-A761 WeakPolarHBondContact CA-O 3.4Å; L346-A761 HydrophobicContact CD1-CB 3.69Å; Y347-A761 PolarHBondContact N-O 3.02Å; L661-A761 HydrophobicContact CD2-CB 4.4Å; V748-A761 HydrophobicContact CG1-CB 4.15Å; G750-A761 CarbonylContact O-C 3.57Å; G750-A761 WeakPolarHBondContact O-CA 3.37Å; L751-A761 HydrophobicContact CD2-CB 3.68Å
762	A	92.6	Very high	81.5	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	149.6	175.5	0	0	0	0	0	112.5	Y347 C369 F371 L378 L749 G750	Y347-A762 VanDerWaalsContact O-CA 3.29Å; Y347-A762 WeakPolarHBondContact O-CA 3.23Å; C369-A762 PolarHBondContact SG-O 3.03Å; F371-A762 HydrophobicContact CE1-CB 4.48Å; F371-A762 HydrophobicContact CE2-CB 3.76Å; F371-A762 HydrophobicContact CZ-CB 3.5Å; F371-A762 VanDerWaalsContact CZ-CB 3.5Å; L378-A762 HydrophobicContact CD1-CB 4Å; L378-A762 HydrophobicContact CD2-CB 4.31Å; L749-A762 PolarHBondContact N-O 3.32Å; G750-A762 PolarHBondContact N-O 2.98Å; G750-A762 PolarHBondContact O-N 2.96Å
763	G	88.8	Confident	80.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.1	-177.2	163	0	0	0	0	0	114.4	Y347 I349 S747	Y347-G763 PolarHBondContact O-N 3.01Å; Y347-G763 VanDerWaalsContact O-N 3.15Å; I349-G763 PolarHBondContact N-O 3.06Å; S747-G763 VanDerWaalsContact O-CA 3.25Å; S747-G763 WeakPolarHBondContact O-CA 3.47Å
764	P	86.8	Confident	80.3	Confident	16 Å²	16	41.9 Å²	41.9	10%	0.104	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	150	-174.2	27.3	-31.9	0	0	0	111.6	V366 T746 S747 L749 N766	V366-P764 HydrophobicContact CB-CB 4Å; V366-P764 HydrophobicContact CB-CG 4.28Å; V366-P764 HydrophobicContact CG2-CB 4.28Å; T746-P764 WeakPolarHBondContact CA-O 3.41Å; S747-P764 PolarHBondContact N-O 3.28Å; L749-P764 VanDerWaalsContact CD1-CD 3.42Å; L749-P764 HydrophobicContact CD1-CG 3.94Å; P764-N766 PolarHBondContact O-N 2.83Å
765	Y	81.4	Confident	80	Confident	87 Å²	87	42.9 Å²	42.9	34%	0.341	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-70.1	115.6	162.6	-176.1	-97.4	0	0	0	110.2	T348 I349 R745 Q767	T348-Y765 HydrophobicContact CG2-CD2 4.09Å; T348-Y765 HydrophobicContact CG2-CG 4.46Å; I349-Y765 PolarHBondContact O-N 3.5Å; R745-Y765 HydrophobicContact CB-CD2 3.96Å; R745-Y765 HydrophobicContact CB-CE2 3.62Å; R745-Y765 VanDerWaalsContact CD-CZ 3.42Å; R745-Y765 WeakPolarHBondContact CD-OH 3.43Å; R745-Y765 HydrophobicContact CG-CE2 4.21Å; R745-Y765 PolarHBondContact NH1-OH 3.22Å; R745-Y765 CarbonylContact O-C 3.53Å; R745-Y765 WeakPolarHBondContact O-CA 3.17Å; Y765-Q767 HydrophobicContact CD1-CG 3.83Å; Y765-Q767 HydrophobicContact CE1-CG 3.75Å; Y765-Q767 PolarHBondContact O-N 3.26Å
766	N	69.4	Low	80.1	Confident	54 Å²	54	44.9 Å²	44.9	29%	0.289	23%	0.232	S	C	.	.			trans	-72.6	104.7	169.2	-68.3	-9.8	0	0	0	108.3	R745 S747 P764 T768	R745-N766 PolarHBondContact O-N 3.29Å; S747-N766 PolarHBondContact OG-ND2 3.07Å; S747-N766 PolarHBondContact OG-OD1 2.99Å; P764-N766 PolarHBondContact O-N 2.83Å; N766-T768 PolarHBondContact O-N 2.98Å
767	Q	56.5	Low	80.3	Confident	148 Å²	148	48.1 Å²	48.1	69%	0.692	25%	0.247	S	C	*	.			trans	-72.6	87.9	156.5	-71.8	-179.9	-1.2	0	0	106.4	Y765	Y765-Q767 HydrophobicContact CD1-CG 3.83Å; Y765-Q767 HydrophobicContact CE1-CG 3.75Å; Y765-Q767 PolarHBondContact O-N 3.26Å
768	T	45.5	Very low	80.4	Confident	174 Å²	174	49.4 Å²	49.4	100%	1.067	26%	0.257	S	S	*	.			trans	-55.9	0	169.1	50.1	0	0	0	0	111	N766	N766-T768 PolarHBondContact O-N 2.98Å

Retrieved 768 of 768 residues in 1378.7 ms (Link to these results)

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