A0A5K4FBZ5_SCHMA Loading...

Beta-1,4-galactosyltransferase

Catalyses the transfer of galactose onto proteins or lipids.

AlphaFold DB , UniProt , Accession A0A5K4FBZ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 352 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.2	Very low	66.5	Low	235 Å²	235	150.1 Å²	150.1	100%	1.158	72%	0.724	S	S	*	*				0	-5.8	0	-151.8	165.4	158.8	0	0	115
2	F	54.8	Low	68	Low	190 Å²	190	151.8 Å²	151.8	83%	0.833	72%	0.719	S	S	*	*			trans	-87.8	-8.4	-173.6	-78.3	-83.5	0	0	0	117.4
3	S	56.8	Low	69.2	Low	104 Å²	104	144.2 Å²	144.2	73%	0.727	69%	0.691	S	S	*	*	H	α-helix	trans	-76.5	-35.1	-171.7	-169.1	0	0	0	0	114.3	K5 K6	S3-K5 PolarHBondContact O-N 2.87Å; S3-K6 PolarHBondContact O-N 3.06Å
4	K	58.2	Low	70.3	Confident	190 Å²	190	138.1 Å²	138.1	83%	0.826	68%	0.677	S	S	*	*	H	α-helix	trans	-66.4	-32.8	-176.8	-78.7	-173.4	175.9	-178.4	0	113.9	S7 S8	K4-S7 PolarHBondContact O-N 2.79Å; K4-S8 PolarHBondContact O-N 3.08Å
5	K	57.9	Low	71.4	Confident	175 Å²	175	135.5 Å²	135.5	76%	0.761	67%	0.666	S	S	*	*	H	α-helix	trans	-67.2	-38.1	-179	-86	-172.9	175.7	-177.9	0	113.3	S3 S7 S8 F9	S3-K5 PolarHBondContact O-N 2.87Å; K5-S7 VanDerWaalsContact C-N 3.35Å; K5-S7 PolarHBondContact O-N 2.87Å; K5-S8 PolarHBondContact O-N 3.23Å; K5-F9 PolarHBondContact O-N 2.84Å
6	K	62.2	Low	72.5	Confident	166 Å²	166	131.6 Å²	131.6	72%	0.722	66%	0.656	S	S	*	*	H	α-helix	trans	-65.8	-36	179.5	-81.7	-174.2	177.7	179.7	0	112.7	S3 R10	S3-K6 PolarHBondContact O-N 3.06Å; K6-R10 PolarHBondContact O-N 3.38Å
7	S	73.6	Confident	73.4	Confident	71 Å²	71	132.9 Å²	132.9	50%	0.497	66%	0.657	S	S	.	*	H	α-helix	trans	-66	-48.6	177.3	-177	0	0	0	0	111.3	K4 K5 F9 R10 I11	K4-S7 PolarHBondContact O-N 2.79Å; K5-S7 VanDerWaalsContact C-N 3.35Å; K5-S7 PolarHBondContact O-N 2.87Å; S7-F9 VanDerWaalsContact C-N 3.29Å; S7-F9 PolarHBondContact O-N 3.32Å; S7-R10 PolarHBondContact O-N 2.99Å; S7-I11 WeakPolarHBondContact O-CG1 3.36Å; S7-I11 PolarHBondContact O-N 3.42Å; S7-I11 VanDerWaalsContact O-N 3.08Å
8	S	76.3	Confident	74.4	Confident	81 Å²	81	128.3 Å²	128.3	57%	0.566	64%	0.643	S	S	*	*	H	α-helix	trans	-59.1	-39.2	178.4	-166.1	0	0	0	0	112.6	K4 K5 I11 Y12	K4-S8 PolarHBondContact O-N 3.08Å; K5-S8 PolarHBondContact O-N 3.23Å; S8-I11 PolarHBondContact O-N 2.79Å; S8-Y12 WeakPolarHBondContact O-CB 3.26Å; S8-Y12 PolarHBondContact O-N 2.87Å
9	F	80.2	Confident	75.3	Confident	143 Å²	143	124.9 Å²	124.9	63%	0.627	63%	0.63	S	S	*	*	H	α-helix	trans	-66.2	-41.4	178.2	-173.1	-100	0	0	0	112.5	K5 S7 Y12 C13	K5-F9 PolarHBondContact O-N 2.84Å; S7-F9 VanDerWaalsContact C-N 3.29Å; S7-F9 PolarHBondContact O-N 3.32Å; F9-Y12 PolarHBondContact O-N 2.9Å; F9-C13 PolarHBondContact O-N 3.16Å
10	R	80.3	Confident	76.1	Confident	201 Å²	201	120.7 Å²	120.7	76%	0.758	62%	0.619	S	S	*	*	H	α-helix	trans	-63.1	-42	176	-76.7	-175.4	176.1	-172.4	-1.3	112.1	K6 S7 C13 A14	K6-R10 PolarHBondContact O-N 3.38Å; S7-R10 PolarHBondContact O-N 2.99Å; R10-C13 PolarHBondContact O-N 3.45Å; R10-A14 WeakPolarHBondContact O-CB 3.36Å; R10-A14 PolarHBondContact O-N 3.1Å
11	I	82.8	Confident	76.9	Confident	95 Å²	95	120.6 Å²	120.6	49%	0.487	62%	0.619	S	S	.	*	H	α-helix	trans	-62.1	-46	176.3	-66	167.4	0	0	0	109.9	S7 S8 C13 A14 I15	S7-I11 WeakPolarHBondContact O-CG1 3.36Å; S7-I11 PolarHBondContact O-N 3.42Å; S7-I11 VanDerWaalsContact O-N 3.08Å; S8-I11 PolarHBondContact O-N 2.79Å; I11-C13 PolarHBondContact O-N 3.03Å; I11-A14 PolarHBondContact O-N 2.96Å; I11-I15 HydrophobicContact CG2-CD1 3.7Å; I11-I15 HydrophobicContact CG2-CG1 4.37Å; I11-I15 WeakPolarHBondContact O-CG1 3.35Å; I11-I15 PolarHBondContact O-N 3.18Å
12	Y	85	Confident	79.1	Confident	170 Å²	170	114 Å²	114	67%	0.667	59%	0.587	S	S	*	*	H	α-helix	trans	-61.1	-43.8	178.4	-166.3	-92.5	0	0	0	112.5	S8 F9 A14 I15 S16	S8-Y12 WeakPolarHBondContact O-CB 3.26Å; S8-Y12 PolarHBondContact O-N 2.87Å; F9-Y12 PolarHBondContact O-N 2.9Å; Y12-A14 PolarHBondContact O-N 3.22Å; Y12-I15 PolarHBondContact O-N 2.78Å; Y12-S16 VanDerWaalsContact O-CB 3.31Å; Y12-S16 WeakPolarHBondContact O-CB 3.2Å; Y12-S16 PolarHBondContact O-N 2.79Å
13	C	83.2	Confident	80.9	Confident	53 Å²	53	111.6 Å²	111.6	36%	0.358	58%	0.577	S	S	.	*	H	α-helix	trans	-62.8	-39.3	174.6	-84.7	0	0	0	0	113	F9 R10 I11 K17	F9-C13 PolarHBondContact O-N 3.16Å; R10-C13 PolarHBondContact O-N 3.45Å; I11-C13 PolarHBondContact O-N 3.03Å; C13-K17 WeakPolarHBondContact O-CG 3.5Å; C13-K17 PolarHBondContact O-N 2.93Å
14	A	84.1	Confident	82.6	Confident	60 Å²	60	110.1 Å²	110.1	50%	0.496	57%	0.566	S	S	.	*	H	α-helix	trans	-66.1	-44	177.5	0	0	0	0	0	111.7	R10 I11 Y12 K17 A18	R10-A14 WeakPolarHBondContact O-CB 3.36Å; R10-A14 PolarHBondContact O-N 3.1Å; I11-A14 PolarHBondContact O-N 2.96Å; Y12-A14 PolarHBondContact O-N 3.22Å; A14-K17 PolarHBondContact O-N 2.82Å; A14-A18 WeakPolarHBondContact O-CB 3.35Å; A14-A18 PolarHBondContact O-N 3.47Å
15	I	88.1	Confident	84.3	Confident	99 Å²	99	104.4 Å²	104.4	51%	0.508	55%	0.547	S	S	.	.	H	α-helix	trans	-62.3	-47.2	175.8	-66.2	168.6	0	0	0	110.3	I11 Y12 K17 A18 V19	I11-I15 HydrophobicContact CG2-CD1 3.7Å; I11-I15 HydrophobicContact CG2-CG1 4.37Å; I11-I15 WeakPolarHBondContact O-CG1 3.35Å; I11-I15 PolarHBondContact O-N 3.18Å; Y12-I15 PolarHBondContact O-N 2.78Å; I15-K17 VanDerWaalsContact C-N 3.34Å; I15-K17 PolarHBondContact O-N 3.44Å; I15-A18 PolarHBondContact O-N 3.25Å; I15-V19 HydrophobicContact CG2-CG2 4.2Å; I15-V19 WeakPolarHBondContact O-CB 3.27Å; I15-V19 VanDerWaalsContact O-CG2 3.25Å; I15-V19 WeakPolarHBondContact O-CG2 3.4Å; I15-V19 PolarHBondContact O-N 3.48Å
16	S	87.6	Confident	85.9	Confident	72 Å²	72	99.8 Å²	99.8	50%	0.503	53%	0.53	S	S	.	.	H	α-helix	trans	-58.7	-42.5	178.5	-180	0	0	0	0	112.5	Y12 G20	Y12-S16 VanDerWaalsContact O-CB 3.31Å; Y12-S16 WeakPolarHBondContact O-CB 3.2Å; Y12-S16 PolarHBondContact O-N 2.79Å; S16-G20 PolarHBondContact O-N 3.4Å
17	K	89.2	Confident	87.4	Confident	154 Å²	154	97.9 Å²	97.9	67%	0.67	52%	0.522	S	S	*	.	H	α-helix	trans	-64.2	-44.3	174.2	-75.9	-178.1	178.8	-173.2	0	112.6	C13 A14 I15 G20 L21	C13-K17 WeakPolarHBondContact O-CG 3.5Å; C13-K17 PolarHBondContact O-N 2.93Å; A14-K17 PolarHBondContact O-N 2.82Å; I15-K17 VanDerWaalsContact C-N 3.34Å; I15-K17 PolarHBondContact O-N 3.44Å; K17-G20 PolarHBondContact O-N 2.82Å; K17-L21 PolarHBondContact O-N 3.27Å
18	A	90.1	Very high	88.3	Confident	50 Å²	50	99.5 Å²	99.5	41%	0.413	53%	0.525	S	S	.	.	H	α-helix	trans	-62.8	-43.4	178.5	0	0	0	0	0	111.5	A14 I15 L21 I22	A14-A18 WeakPolarHBondContact O-CB 3.35Å; A14-A18 PolarHBondContact O-N 3.47Å; I15-A18 PolarHBondContact O-N 3.25Å; A18-L21 PolarHBondContact O-N 2.72Å; A18-I22 VanDerWaalsContact O-CG1 3.29Å; A18-I22 WeakPolarHBondContact O-CG1 3.36Å; A18-I22 PolarHBondContact O-N 3.49Å
19	V	91.9	Very high	89	Confident	65 Å²	65	101 Å²	101	39%	0.394	53%	0.526	S	S	.	.	H	α-helix	trans	-60.8	-45.7	174.9	171.8	0	0	0	0	110.8	I15 L21 I22 F23	I15-V19 HydrophobicContact CG2-CG2 4.2Å; I15-V19 WeakPolarHBondContact O-CB 3.27Å; I15-V19 VanDerWaalsContact O-CG2 3.25Å; I15-V19 WeakPolarHBondContact O-CG2 3.4Å; I15-V19 PolarHBondContact O-N 3.48Å; V19-L21 PolarHBondContact O-N 2.83Å; V19-I22 PolarHBondContact O-N 2.94Å; V19-F23 HydrophobicContact CG1-CD2 3.61Å; V19-F23 HydrophobicContact CG1-CE2 3.42Å; V19-F23 VanDerWaalsContact CG1-CE2 3.42Å; V19-F23 WeakPolarHBondContact O-CD2 3.44Å; V19-F23 PolarHBondContact O-N 2.96Å
20	G	91.2	Very high	89.4	Confident	40 Å²	40	99.7 Å²	99.7	41%	0.412	52%	0.521	S	S	.	.	H	α-helix	trans	-60.8	-40.6	176	0	0	0	0	0	113.7	S16 K17 F23 C24	S16-G20 PolarHBondContact O-N 3.4Å; K17-G20 PolarHBondContact O-N 2.82Å; G20-F23 PolarHBondContact O-N 3.45Å; G20-C24 WeakPolarHBondContact O-CB 3.26Å; G20-C24 PolarHBondContact O-N 3.44Å
21	L	92.9	Very high	89.6	Confident	119 Å²	119	94.1 Å²	94.1	62%	0.623	51%	0.506	S	S	*	.	H	α-helix	trans	-62.4	-43.6	173.9	-95.2	145.2	0	0	0	112	K17 A18 V19 C24 T25	K17-L21 PolarHBondContact O-N 3.27Å; A18-L21 PolarHBondContact O-N 2.72Å; V19-L21 PolarHBondContact O-N 2.83Å; L21-C24 PolarHBondContact O-N 2.87Å; L21-T25 WeakPolarHBondContact O-CG2 3.4Å; L21-T25 PolarHBondContact O-N 3.31Å; L21-T25 PolarHBondContact O-OG1 3.38Å
22	I	94	Very high	89.8	Confident	95 Å²	95	97.1 Å²	97.1	49%	0.487	51%	0.512	S	S	.	.	H	α-helix	trans	-63.5	-44.1	177.2	-68.5	164.4	0	0	0	111.2	A18 V19 C24 T25 I26	A18-I22 VanDerWaalsContact O-CG1 3.29Å; A18-I22 WeakPolarHBondContact O-CG1 3.36Å; A18-I22 PolarHBondContact O-N 3.49Å; V19-I22 PolarHBondContact O-N 2.94Å; I22-C24 VanDerWaalsContact C-N 3.31Å; I22-C24 PolarHBondContact O-N 3.45Å; I22-T25 WeakPolarHBondContact CA-OG1 3.47Å; I22-T25 PolarHBondContact O-N 2.9Å; I22-T25 PolarHBondContact O-OG1 2.94Å; I22-I26 HydrophobicContact CG2-CD1 3.72Å; I22-I26 HydrophobicContact CG2-CG1 4.39Å; I22-I26 WeakPolarHBondContact O-CB 3.41Å; I22-I26 VanDerWaalsContact O-CG1 3.26Å; I22-I26 WeakPolarHBondContact O-CG1 3.26Å; I22-I26 PolarHBondContact O-N 3.42Å
23	F	93.2	Very high	89.6	Confident	140 Å²	140	95.8 Å²	95.8	61%	0.614	51%	0.51	S	S	*	.	H	α-helix	trans	-63.3	-39.4	175.7	-81.9	-67.6	0	0	0	112	V19 G20 I26 F27	V19-F23 HydrophobicContact CG1-CD2 3.61Å; V19-F23 HydrophobicContact CG1-CE2 3.42Å; V19-F23 VanDerWaalsContact CG1-CE2 3.42Å; V19-F23 WeakPolarHBondContact O-CD2 3.44Å; V19-F23 PolarHBondContact O-N 2.96Å; G20-F23 PolarHBondContact O-N 3.45Å; F23-I26 PolarHBondContact O-N 3.48Å; F23-F27 VanDerWaalsContact O-CB 3.29Å; F23-F27 WeakPolarHBondContact O-CB 3.47Å; F23-F27 PolarHBondContact O-N 3.2Å
24	C	93.5	Very high	89.2	Confident	73 Å²	73	99.4 Å²	99.4	49%	0.493	52%	0.523	S	S	.	.	H	α-helix	trans	-64.5	-43.1	176.8	-162.2	0	0	0	0	111.7	G20 L21 I22 F27 L28	G20-C24 WeakPolarHBondContact O-CB 3.26Å; G20-C24 PolarHBondContact O-N 3.44Å; L21-C24 PolarHBondContact O-N 2.87Å; I22-C24 VanDerWaalsContact C-N 3.31Å; I22-C24 PolarHBondContact O-N 3.45Å; C24-F27 PolarHBondContact O-N 3.45Å; C24-L28 VanDerWaalsContact O-CG 3.28Å; C24-L28 WeakPolarHBondContact O-CG 3.28Å; C24-L28 PolarHBondContact O-N 3.29Å
25	T	92.9	Very high	88.7	Confident	71 Å²	71	104.6 Å²	104.6	44%	0.436	53%	0.53	S	S	.	.	H	α-helix	trans	-67.8	-40.7	177.2	55.8	0	0	0	0	112.4	L21 I22 F27 L28 L29	L21-T25 WeakPolarHBondContact O-CG2 3.4Å; L21-T25 PolarHBondContact O-N 3.31Å; L21-T25 PolarHBondContact O-OG1 3.38Å; I22-T25 WeakPolarHBondContact CA-OG1 3.47Å; I22-T25 PolarHBondContact O-N 2.9Å; I22-T25 PolarHBondContact O-OG1 2.94Å; T25-F27 VanDerWaalsContact C-N 3.34Å; T25-F27 PolarHBondContact O-N 3.17Å; T25-L28 PolarHBondContact O-N 3.45Å; T25-L29 WeakPolarHBondContact O-CB 3.21Å; T25-L29 WeakPolarHBondContact O-CG 3.29Å; T25-L29 PolarHBondContact O-N 3.47Å
26	I	92.4	Very high	87.6	Confident	78 Å²	78	102.9 Å²	102.9	40%	0.4	52%	0.524	S	S	.	.	H	α-helix	trans	-61.2	-44.1	174	-68.7	168.7	0	0	0	110.5	I22 F23 L29 Q30	I22-I26 HydrophobicContact CG2-CD1 3.72Å; I22-I26 HydrophobicContact CG2-CG1 4.39Å; I22-I26 WeakPolarHBondContact O-CB 3.41Å; I22-I26 VanDerWaalsContact O-CG1 3.26Å; I22-I26 WeakPolarHBondContact O-CG1 3.26Å; I22-I26 PolarHBondContact O-N 3.42Å; F23-I26 PolarHBondContact O-N 3.48Å; I26-L29 PolarHBondContact O-N 3.32Å; I26-Q30 HydrophobicContact CG2-CG 4.44Å; I26-Q30 WeakPolarHBondContact O-CB 3.25Å; I26-Q30 WeakPolarHBondContact O-CG 3.46Å; I26-Q30 PolarHBondContact O-N 3Å
27	F	92.2	Very high	86.6	Confident	126 Å²	126	102.1 Å²	102.1	55%	0.553	52%	0.517	S	S	*	.	H	α-helix	trans	-62.9	-42.9	178.1	-174.7	-108.3	0	0	0	112	F23 C24 T25 Q30 I31	F23-F27 VanDerWaalsContact O-CB 3.29Å; F23-F27 WeakPolarHBondContact O-CB 3.47Å; F23-F27 PolarHBondContact O-N 3.2Å; C24-F27 PolarHBondContact O-N 3.45Å; T25-F27 VanDerWaalsContact C-N 3.34Å; T25-F27 PolarHBondContact O-N 3.17Å; F27-Q30 PolarHBondContact O-N 3.37Å; F27-I31 HydrophobicContact CD1-CD1 3.69Å; F27-I31 HydrophobicContact CE1-CD1 3.33Å; F27-I31 HydrophobicContact CE1-CG1 4.35Å; F27-I31 HydrophobicContact CE2-CD1 4.49Å; F27-I31 HydrophobicContact CG-CD1 4.43Å; F27-I31 HydrophobicContact CZ-CD1 3.78Å; F27-I31 HydrophobicContact CZ-CG1 4.45Å; F27-I31 WeakPolarHBondContact O-CG1 3.48Å; F27-I31 PolarHBondContact O-N 3.18Å
28	L	93	Very high	85.2	Confident	105 Å²	105	98.7 Å²	98.7	55%	0.55	51%	0.508	S	S	.	.	H	α-helix	trans	-64.4	-39.6	174.5	-70.3	172.6	0	0	0	112.4	C24 T25 I31 Y32	C24-L28 VanDerWaalsContact O-CG 3.28Å; C24-L28 WeakPolarHBondContact O-CG 3.28Å; C24-L28 PolarHBondContact O-N 3.29Å; T25-L28 PolarHBondContact O-N 3.45Å; L28-I31 PolarHBondContact O-N 3.5Å; L28-Y32 WeakPolarHBondContact O-CB 3.32Å; L28-Y32 PolarHBondContact O-N 3.47Å
29	L	92.2	Very high	83.6	Confident	113 Å²	113	99.2 Å²	99.2	59%	0.592	50%	0.504	S	S	*	.	H	α-helix	trans	-66.1	-38.8	174.6	-77.2	167.8	0	0	0	111.9	T25 I26 Y32 F33	T25-L29 WeakPolarHBondContact O-CB 3.21Å; T25-L29 WeakPolarHBondContact O-CG 3.29Å; T25-L29 PolarHBondContact O-N 3.47Å; I26-L29 PolarHBondContact O-N 3.32Å; L29-Y32 PolarHBondContact O-N 3.37Å; L29-F33 VanDerWaalsContact O-CB 3.28Å; L29-F33 WeakPolarHBondContact O-CB 3.49Å; L29-F33 PolarHBondContact O-N 2.93Å
30	Q	87	Confident	81.6	Confident	115 Å²	115	102.7 Å²	102.7	54%	0.537	51%	0.511	S	S	.	.	H	α-helix	trans	-65	-43.8	174	-78.5	-178.4	-23.2	0	0	111.4	I26 F27 Y32 F33 M34	I26-Q30 HydrophobicContact CG2-CG 4.44Å; I26-Q30 WeakPolarHBondContact O-CB 3.25Å; I26-Q30 WeakPolarHBondContact O-CG 3.46Å; I26-Q30 PolarHBondContact O-N 3Å; F27-Q30 PolarHBondContact O-N 3.37Å; Q30-Y32 VanDerWaalsContact C-N 3.34Å; Q30-Y32 PolarHBondContact O-N 3.49Å; Q30-F33 PolarHBondContact O-N 3.08Å; Q30-M34 VanDerWaalsContact O-CB 3.24Å; Q30-M34 WeakPolarHBondContact O-CB 3.42Å; Q30-M34 WeakPolarHBondContact O-CG 3.33Å; Q30-M34 PolarHBondContact O-N 3.39Å
31	I	85.9	Confident	79.5	Confident	83 Å²	83	103.7 Å²	103.7	43%	0.426	51%	0.509	S	S	.	.	H	α-helix	trans	-60.1	-46	173.8	-71.1	169.4	0	0	0	110.3	F27 L28 R35	F27-I31 HydrophobicContact CD1-CD1 3.69Å; F27-I31 HydrophobicContact CE1-CD1 3.33Å; F27-I31 HydrophobicContact CE1-CG1 4.35Å; F27-I31 HydrophobicContact CE2-CD1 4.49Å; F27-I31 HydrophobicContact CG-CD1 4.43Å; F27-I31 HydrophobicContact CZ-CD1 3.78Å; F27-I31 HydrophobicContact CZ-CG1 4.45Å; F27-I31 WeakPolarHBondContact O-CG1 3.48Å; F27-I31 PolarHBondContact O-N 3.18Å; L28-I31 PolarHBondContact O-N 3.5Å; I31-R35 VanDerWaalsContact O-CB 3.25Å; I31-R35 WeakPolarHBondContact O-CB 3.34Å; I31-R35 PolarHBondContact O-N 2.98Å
32	Y	85.9	Confident	77.4	Confident	158 Å²	158	99.9 Å²	99.9	62%	0.62	49%	0.491	S	S	*	.	H	α-helix	trans	-59.9	-49.4	176.9	177.4	-97.7	0	0	0	111.2	L28 L29 Q30 R35 T36	L28-Y32 WeakPolarHBondContact O-CB 3.32Å; L28-Y32 PolarHBondContact O-N 3.47Å; L29-Y32 PolarHBondContact O-N 3.37Å; Q30-Y32 VanDerWaalsContact C-N 3.34Å; Q30-Y32 PolarHBondContact O-N 3.49Å; Y32-R35 PolarHBondContact O-N 3.25Å; Y32-T36 WeakPolarHBondContact O-CB 3.03Å; Y32-T36 PolarHBondContact O-N 3.33Å; Y32-T36 PolarHBondContact O-OG1 3.15Å
33	F	82.3	Confident	75.4	Confident	142 Å²	142	98.6 Å²	98.6	62%	0.623	48%	0.484	S	S	*	.	H	α-helix	trans	-64.9	-43	-179.2	-166.9	-93.4	0	0	0	112.2	L29 Q30 R35 T36 T37	L29-F33 VanDerWaalsContact O-CB 3.28Å; L29-F33 WeakPolarHBondContact O-CB 3.49Å; L29-F33 PolarHBondContact O-N 2.93Å; Q30-F33 PolarHBondContact O-N 3.08Å; F33-R35 VanDerWaalsContact C-N 3.34Å; F33-R35 PolarHBondContact O-N 3.22Å; F33-T36 PolarHBondContact O-N 2.83Å; F33-T37 WeakPolarHBondContact CE1-OG1 3.4Å; F33-T37 VanDerWaalsContact O-CB 3.26Å; F33-T37 WeakPolarHBondContact O-CB 3.03Å; F33-T37 PolarHBondContact O-N 2.73Å; F33-T37 PolarHBondContact O-OG1 2.04Å
34	M	74.8	Confident	73.2	Confident	129 Å²	129	96 Å²	96	64%	0.635	47%	0.474	S	S	*	.	H	α-helix	trans	-58.7	-46.2	173.3	-74.5	-78.4	-79.4	0	0	110.6	Q30 T37 V38	Q30-M34 VanDerWaalsContact O-CB 3.24Å; Q30-M34 WeakPolarHBondContact O-CB 3.42Å; Q30-M34 WeakPolarHBondContact O-CG 3.33Å; Q30-M34 PolarHBondContact O-N 3.39Å; M34-T37 PolarHBondContact O-N 3.41Å; M34-V38 WeakPolarHBondContact O-CB 3.42Å; M34-V38 WeakPolarHBondContact O-CG2 3.28Å; M34-V38 PolarHBondContact O-N 3.25Å
35	R	72.3	Confident	70.9	Confident	170 Å²	170	96.2 Å²	96.2	64%	0.642	47%	0.471	S	S	*	.	H	α-helix	trans	-64.2	-44.4	179	-165.8	174.8	-175.7	-177.8	0	112	I31 Y32 F33 V38 N39	I31-R35 VanDerWaalsContact O-CB 3.25Å; I31-R35 WeakPolarHBondContact O-CB 3.34Å; I31-R35 PolarHBondContact O-N 2.98Å; Y32-R35 PolarHBondContact O-N 3.25Å; F33-R35 VanDerWaalsContact C-N 3.34Å; F33-R35 PolarHBondContact O-N 3.22Å; R35-V38 PolarHBondContact O-N 2.81Å; R35-N39 WeakPolarHBondContact O-CB 3.41Å; R35-N39 PolarHBondContact O-N 3.2Å; R35-N39 PolarHBondContact O-ND2 3.16Å; R35-N39 PolarHBondContact O-OD1 2.79Å
36	T	65.3	Low	68.9	Low	62 Å²	62	93.4 Å²	93.4	38%	0.38	45%	0.453	S	S	.	.	H	α-helix	trans	-66.8	-40.2	178.1	-50.7	0	0	0	0	111.6	Y32 F33 N39 Y40	Y32-T36 WeakPolarHBondContact O-CB 3.03Å; Y32-T36 PolarHBondContact O-N 3.33Å; Y32-T36 PolarHBondContact O-OG1 3.15Å; F33-T36 PolarHBondContact O-N 2.83Å; T36-N39 PolarHBondContact O-N 3.42Å; T36-Y40 WeakPolarHBondContact O-CB 3.33Å; T36-Y40 PolarHBondContact O-N 3.45Å
37	T	66.3	Low	66.8	Low	57 Å²	57	93.6 Å²	93.6	35%	0.35	46%	0.458	S	S	.	.	H	α-helix	trans	-66.7	-44.4	177	-55.1	0	0	0	0	111	F33 M34 N39 Y40 V41	F33-T37 WeakPolarHBondContact CE1-OG1 3.4Å; F33-T37 VanDerWaalsContact O-CB 3.26Å; F33-T37 WeakPolarHBondContact O-CB 3.03Å; F33-T37 PolarHBondContact O-N 2.73Å; F33-T37 PolarHBondContact O-OG1 2.04Å; M34-T37 PolarHBondContact O-N 3.41Å; T37-N39 VanDerWaalsContact C-N 3.34Å; T37-N39 PolarHBondContact O-N 2.92Å; T37-Y40 PolarHBondContact O-N 3.41Å; T37-V41 HydrophobicContact CG2-CG2 4.2Å; T37-V41 WeakPolarHBondContact O-CB 3.26Å; T37-V41 VanDerWaalsContact O-CG2 3.27Å; T37-V41 WeakPolarHBondContact O-CG2 3.4Å; T37-V41 PolarHBondContact O-N 3.3Å
38	V	61.1	Low	64.7	Low	81 Å²	81	91.3 Å²	91.3	49%	0.491	46%	0.462	S	S	.	.	H	α-helix	trans	-60.9	-43.4	174.5	170.3	0	0	0	0	110.8	M34 R35 Y40 T42	M34-V38 WeakPolarHBondContact O-CB 3.42Å; M34-V38 WeakPolarHBondContact O-CG2 3.28Å; M34-V38 PolarHBondContact O-N 3.25Å; R35-V38 PolarHBondContact O-N 2.81Å; V38-Y40 PolarHBondContact O-N 2.83Å; V38-T42 VanDerWaalsContact O-CB 3.24Å; V38-T42 WeakPolarHBondContact O-CB 3.39Å; V38-T42 PolarHBondContact O-N 2.83Å; V38-T42 PolarHBondContact O-OG1 3.09Å
39	N	56.1	Low	62.3	Low	62 Å²	62	93.9 Å²	93.9	33%	0.332	47%	0.471	S	S	.	.	H	α-helix	trans	-60.7	-45.3	175.2	-71.5	-14.4	0	0	0	111.7	R35 T36 T37 T42 L43 L324	R35-N39 WeakPolarHBondContact O-CB 3.41Å; R35-N39 PolarHBondContact O-N 3.2Å; R35-N39 PolarHBondContact O-ND2 3.16Å; R35-N39 PolarHBondContact O-OD1 2.79Å; T36-N39 PolarHBondContact O-N 3.42Å; T37-N39 VanDerWaalsContact C-N 3.34Å; T37-N39 PolarHBondContact O-N 2.92Å; N39-T42 PolarHBondContact O-N 3.15Å; N39-L43 VanDerWaalsContact O-CB 3.27Å; N39-L43 WeakPolarHBondContact O-CB 3.28Å; N39-L43 PolarHBondContact O-N 2.92Å; N39-L324 WeakPolarHBondContact OD1-CD1 3.35Å
40	Y	48.5	Very low	60	Low	137 Å²	137	91.6 Å²	91.6	54%	0.537	47%	0.469	S	S	.	.	H	α-helix	trans	-64.8	-47.2	179.4	-176.2	-98.5	0	0	0	112.1	T36 T37 V38 L43 Q44	T36-Y40 WeakPolarHBondContact O-CB 3.33Å; T36-Y40 PolarHBondContact O-N 3.45Å; T37-Y40 PolarHBondContact O-N 3.41Å; V38-Y40 PolarHBondContact O-N 2.83Å; Y40-L43 PolarHBondContact O-N 3.46Å; Y40-Q44 HydrophobicContact CD1-CG 4.21Å; Y40-Q44 HydrophobicContact CE1-CG 3.85Å; Y40-Q44 VanDerWaalsContact CE1-OE1 3.22Å; Y40-Q44 HydrophobicContact CE2-CG 4.46Å; Y40-Q44 VanDerWaalsContact CZ-NE2 3.28Å; Y40-Q44 WeakPolarHBondContact O-CB 3.4Å; Y40-Q44 WeakPolarHBondContact O-CG 3.35Å; Y40-Q44 PolarHBondContact O-N 3.22Å; Y40-Q44 PolarHBondContact OH-NE2 2.72Å
41	V	48.2	Very low	58.1	Low	61 Å²	61	87 Å²	87	37%	0.37	45%	0.448	S	S	.	.	H	α-helix	trans	-65.9	-39.2	177.9	173	0	0	0	0	111	T37 Q44 N45	T37-V41 HydrophobicContact CG2-CG2 4.2Å; T37-V41 WeakPolarHBondContact O-CB 3.26Å; T37-V41 VanDerWaalsContact O-CG2 3.27Å; T37-V41 WeakPolarHBondContact O-CG2 3.4Å; T37-V41 PolarHBondContact O-N 3.3Å; V41-Q44 PolarHBondContact O-N 2.87Å; V41-N45 WeakPolarHBondContact O-CB 3.19Å; V41-N45 PolarHBondContact O-N 2.91Å; V41-N45 PolarHBondContact O-ND2 3.42Å
42	T	49.2	Very low	56	Low	39 Å²	39	86.5 Å²	86.5	24%	0.239	45%	0.445	C	S	.	.	H	α-helix	trans	-65	-43.6	176.1	-54.9	0	0	0	0	110.8	V38 N39 L46	V38-T42 VanDerWaalsContact O-CB 3.24Å; V38-T42 WeakPolarHBondContact O-CB 3.39Å; V38-T42 PolarHBondContact O-N 2.83Å; V38-T42 PolarHBondContact O-OG1 3.09Å; N39-T42 PolarHBondContact O-N 3.15Å; T42-L46 HydrophobicContact CG2-CD1 4.1Å; T42-L46 VanDerWaalsContact O-CB 3.3Å; T42-L46 WeakPolarHBondContact O-CB 3.44Å; T42-L46 WeakPolarHBondContact O-CD1 3.41Å; T42-L46 VanDerWaalsContact O-CG 3.26Å; T42-L46 WeakPolarHBondContact O-CG 3.12Å; T42-L46 PolarHBondContact O-N 3.04Å
43	L	52	Low	53.6	Low	68 Å²	68	82.5 Å²	82.5	36%	0.356	44%	0.439	S	S	.	.	H	α-helix	trans	-65.9	-44.5	176.5	-168.7	74.3	0	0	0	111.4	N39 Y40 L46 T47 Q257	N39-L43 VanDerWaalsContact O-CB 3.27Å; N39-L43 WeakPolarHBondContact O-CB 3.28Å; N39-L43 PolarHBondContact O-N 2.92Å; Y40-L43 PolarHBondContact O-N 3.46Å; L43-L46 PolarHBondContact O-N 2.86Å; L43-T47 WeakPolarHBondContact O-CB 3.47Å; L43-T47 VanDerWaalsContact O-CG2 3.23Å; L43-T47 WeakPolarHBondContact O-CG2 3.3Å; L43-T47 PolarHBondContact O-N 2.93Å; L43-T47 PolarHBondContact O-OG1 3.35Å; L43-Q257 HydrophobicContact CD1-CB 4.35Å; L43-Q257 HydrophobicContact CD1-CG 4.49Å
44	Q	46.4	Very low	51.5	Low	85 Å²	85	81.6 Å²	81.6	40%	0.397	45%	0.45	S	S	.	.	H	α-helix	trans	-63.2	-44.4	175.3	-84.3	-161.6	-32.7	0	0	112.3	Y40 V41 L46 T47 A48	Y40-Q44 HydrophobicContact CD1-CG 4.21Å; Y40-Q44 HydrophobicContact CE1-CG 3.85Å; Y40-Q44 VanDerWaalsContact CE1-OE1 3.22Å; Y40-Q44 HydrophobicContact CE2-CG 4.46Å; Y40-Q44 VanDerWaalsContact CZ-NE2 3.28Å; Y40-Q44 WeakPolarHBondContact O-CB 3.4Å; Y40-Q44 WeakPolarHBondContact O-CG 3.35Å; Y40-Q44 PolarHBondContact O-N 3.22Å; Y40-Q44 PolarHBondContact OH-NE2 2.72Å; V41-Q44 PolarHBondContact O-N 2.87Å; Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 2.8Å; Q44-T47 WeakPolarHBondContact CA-OG1 3.35Å; Q44-T47 PolarHBondContact O-N 2.79Å; Q44-T47 PolarHBondContact O-OG1 2.89Å; Q44-T47 VanDerWaalsContact O-OG1 3.1Å; Q44-A48 WeakPolarHBondContact O-CB 3.23Å; Q44-A48 PolarHBondContact O-N 3.05Å
45	N	44.3	Very low	49.8	Very low	79 Å²	79	82.8 Å²	82.8	42%	0.422	46%	0.459	S	S	.	.	H	α-helix	trans	-62.3	-43.5	176.2	-73.4	-11.3	0	0	0	109.8	V41 T47 E49 A50	V41-N45 WeakPolarHBondContact O-CB 3.19Å; V41-N45 PolarHBondContact O-N 2.91Å; V41-N45 PolarHBondContact O-ND2 3.42Å; N45-T47 VanDerWaalsContact C-N 3.33Å; N45-T47 PolarHBondContact O-N 3.34Å; N45-E49 PolarHBondContact O-N 2.85Å; N45-E49 VanDerWaalsContact O-N 3.16Å; N45-A50 HydrophobicContact CB-CB 4.17Å; N45-A50 WeakPolarHBondContact O-CA 3.46Å; N45-A50 WeakPolarHBondContact O-CB 3.21Å; N45-A50 PolarHBondContact O-N 3.49Å
46	L	51.1	Low	48.2	Very low	12 Å²	12	77.3 Å²	77.3	6%	0.063	44%	0.444	C	S	.	.	H	α-helix	trans	-61.8	-35.7	174.1	-80.1	166.1	0	0	0	113.5	T42 L43 Q44 I51 I256 L328 N329	T42-L46 HydrophobicContact CG2-CD1 4.1Å; T42-L46 VanDerWaalsContact O-CB 3.3Å; T42-L46 WeakPolarHBondContact O-CB 3.44Å; T42-L46 WeakPolarHBondContact O-CD1 3.41Å; T42-L46 VanDerWaalsContact O-CG 3.26Å; T42-L46 WeakPolarHBondContact O-CG 3.12Å; T42-L46 PolarHBondContact O-N 3.04Å; L43-L46 PolarHBondContact O-N 2.86Å; Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 2.8Å; L46-I51 HydrophobicContact CD2-CD1 4.44Å; L46-I51 HydrophobicContact CD2-CG1 4.15Å; L46-I51 VanDerWaalsContact O-CD1 3.22Å; L46-I51 WeakPolarHBondContact O-CD1 3.24Å; L46-I51 WeakPolarHBondContact O-CG1 3.47Å; L46-I256 HydrophobicContact CB-CG2 3.89Å; L46-L328 HydrophobicContact CD2-CB 4.32Å; L46-N329 HydrophobicContact CD2-CB 4.08Å
47	T	49.3	Very low	46.9	Very low	82 Å²	82	80.9 Å²	80.9	50%	0.503	47%	0.467	S	S	.	.	H	α-helix	trans	-85.4	-34	-177.9	56.7	0	0	0	0	113.8	L43 Q44 N45 I256	L43-T47 WeakPolarHBondContact O-CB 3.47Å; L43-T47 VanDerWaalsContact O-CG2 3.23Å; L43-T47 WeakPolarHBondContact O-CG2 3.3Å; L43-T47 PolarHBondContact O-N 2.93Å; L43-T47 PolarHBondContact O-OG1 3.35Å; Q44-T47 WeakPolarHBondContact CA-OG1 3.35Å; Q44-T47 PolarHBondContact O-N 2.79Å; Q44-T47 PolarHBondContact O-OG1 2.89Å; Q44-T47 VanDerWaalsContact O-OG1 3.1Å; N45-T47 VanDerWaalsContact C-N 3.33Å; N45-T47 PolarHBondContact O-N 3.34Å; T47-I256 HydrophobicContact CG2-CG2 4.01Å
48	A	46.7	Very low	45.9	Very low	78 Å²	78	84.1 Å²	84.1	65%	0.645	48%	0.481	S	S	*	.	H	α-helix	trans	-97.1	-42.9	-171	0	0	0	0	0	113.9	Q44	Q44-A48 WeakPolarHBondContact O-CB 3.23Å; Q44-A48 PolarHBondContact O-N 3.05Å
49	E	43.4	Very low	45.1	Very low	158 Å²	158	88 Å²	88	74%	0.738	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.6	-26.9	-165.7	-68.1	-177.2	169.7	0	0	115.9	N45 I52	N45-E49 PolarHBondContact O-N 2.85Å; N45-E49 VanDerWaalsContact O-N 3.16Å; E49-I52 VanDerWaalsContact O-O 3.13Å
50	A	43.4	Very low	45.1	Very low	66 Å²	66	88.2 Å²	88.2	55%	0.545	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-7.9	-162.7	0	0	0	0	0	116.6	N45 I52	N45-A50 HydrophobicContact CB-CB 4.17Å; N45-A50 WeakPolarHBondContact O-CA 3.46Å; N45-A50 WeakPolarHBondContact O-CB 3.21Å; N45-A50 PolarHBondContact O-N 3.49Å; A50-I52 VanDerWaalsContact C-N 3.3Å
51	I	47.5	Very low	46.2	Very low	19 Å²	19	86.5 Å²	86.5	10%	0.097	51%	0.509	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-15	173.3	-64.2	176.1	0	0	0	111.5	L46 I187 I256	L46-I51 HydrophobicContact CD2-CD1 4.44Å; L46-I51 HydrophobicContact CD2-CG1 4.15Å; L46-I51 VanDerWaalsContact O-CD1 3.22Å; L46-I51 WeakPolarHBondContact O-CD1 3.24Å; L46-I51 WeakPolarHBondContact O-CG1 3.47Å; I51-I187 HydrophobicContact CG2-CB 4.4Å; I51-I187 HydrophobicContact CG2-CG1 4.08Å; I51-I187 HydrophobicContact CG2-CG2 4Å; I51-I256 HydrophobicContact CD1-CD1 4.07Å; I51-I256 HydrophobicContact CD1-CG1 4.04Å
52	I	41.1	Very low	48	Very low	72 Å²	72	87.3 Å²	87.3	37%	0.369	51%	0.508	S	S	.	.	S	Bend	trans	-111	112.8	176.2	-54.8	176.7	0	0	0	106.8	E49 A50 S54	E49-I52 VanDerWaalsContact O-O 3.13Å; A50-I52 VanDerWaalsContact C-N 3.3Å; I52-S54 PolarHBondContact O-N 3.46Å
53	P	37.4	Very low	50.2	Low	73 Å²	73	87.4 Å²	87.4	47%	0.474	51%	0.506	S	S	.	.			trans	-52.2	131.4	172.8	-22.7	31.6	0	0	0	109.4	N55 T56	P53-N55 PolarHBondContact O-N 2.79Å; P53-T56 PolarHBondContact O-N 2.66Å; P53-T56 PolarHBondContact O-OG1 2.94Å
54	S	37.2	Very low	52.3	Low	124 Å²	124	85.3 Å²	85.3	87%	0.867	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-15.1	-178.9	52.4	0	0	0	0	114.4	I52	I52-S54 PolarHBondContact O-N 3.46Å
55	N	38.8	Very low	54.7	Low	153 Å²	153	81.3 Å²	81.3	82%	0.818	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	9.3	174.8	-105.8	5.7	0	0	0	115.1	P53 T57	P53-N55 PolarHBondContact O-N 2.79Å; N55-T57 PolarHBondContact O-N 3.38Å
56	T	39.9	Very low	57.2	Low	55 Å²	55	81.7 Å²	81.7	34%	0.337	47%	0.473	S	S	.	.			trans	-96	80.3	170.4	-9.4	0	0	0	0	108.9	P53 L58	P53-T56 PolarHBondContact O-N 2.66Å; P53-T56 PolarHBondContact O-OG1 2.94Å; T56-L58 HydrophobicContact CG2-CB 4.02Å; T56-L58 PolarHBondContact O-N 3.5Å
57	T	37.4	Very low	59.3	Low	138 Å²	138	83 Å²	83	85%	0.847	48%	0.481	S	S	*	.			trans	-69.1	30.7	157.7	47	0	0	0	0	111.8	N55 D59	N55-T57 PolarHBondContact O-N 3.38Å; T57-D59 PolarHBondContact O-N 2.88Å
58	L	45.8	Very low	61.5	Low	125 Å²	125	79.1 Å²	79.1	65%	0.654	46%	0.457	S	S	*	.			trans	-78.4	88.9	163	-114.8	72.5	0	0	0	106.1	T56 V60	T56-L58 HydrophobicContact CG2-CB 4.02Å; T56-L58 PolarHBondContact O-N 3.5Å; L58-V60 HydrophobicContact CB-CG2 3.87Å; L58-V60 HydrophobicContact CD2-CB 4.43Å; L58-V60 HydrophobicContact CD2-CG2 3.24Å; L58-V60 HydrophobicContact CG-CG2 3.48Å; L58-V60 VanDerWaalsContact CG-CG2 3.48Å; L58-V60 PolarHBondContact O-N 3.49Å
59	D	43.8	Very low	63.8	Low	162 Å²	162	75.4 Å²	75.4	87%	0.866	43%	0.427	S	S	*	.			trans	-62.1	56	148.8	-169.1	23.9	0	0	0	109	T57 C61	T57-D59 PolarHBondContact O-N 2.88Å; D59-C61 PolarHBondContact O-N 2.88Å
60	V	55.4	Low	66.3	Low	67 Å²	67	74.7 Å²	74.7	41%	0.406	42%	0.421	S	S	.	.			trans	-75.5	107.8	163.6	172.8	0	0	0	0	104.1	L58 K62	L58-V60 HydrophobicContact CB-CG2 3.87Å; L58-V60 HydrophobicContact CD2-CB 4.43Å; L58-V60 HydrophobicContact CD2-CG2 3.24Å; L58-V60 HydrophobicContact CG-CG2 3.48Å; L58-V60 VanDerWaalsContact CG-CG2 3.48Å; L58-V60 PolarHBondContact O-N 3.49Å; V60-K62 VanDerWaalsContact C-N 3.32Å; V60-K62 PolarHBondContact O-N 3.39Å
61	C	71.9	Confident	68.6	Low	101 Å²	101	77.3 Å²	77.3	68%	0.682	43%	0.426	S	S	*	.			trans	-49.1	102.6	165.4	-172.7	0	0	0	0	107.6	D59 Q63	D59-C61 PolarHBondContact O-N 2.88Å; C61-Q63 PolarHBondContact O-N 3.24Å
62	K	86.8	Confident	70.7	Confident	77 Å²	77	77.1 Å²	77.1	34%	0.335	43%	0.425	S	S	.	.			trans	-58.7	125.9	178.4	-64.1	-176.1	-175.8	-169.6	0	107.1	V60 T64 R190	V60-K62 VanDerWaalsContact C-N 3.32Å; V60-K62 PolarHBondContact O-N 3.39Å; K62-T64 PolarHBondContact O-N 2.91Å; K62-R190 WeakPolarHBondContact CD-O 3.27Å; K62-R190 WeakPolarHBondContact CE-O 3.42Å; K62-R190 PolarHBondContact NZ-O 3.15Å
63	Q	94.2	Very high	73	Confident	42 Å²	42	80.9 Å²	80.9	20%	0.196	45%	0.446	C	S	.	.	B	Isolated β-bridge	trans	-59.2	140	172.7	-74.6	178.4	-7.6	0	0	109.4	C61 T67 I68 D112 R164 R192 F193 Y194	C61-Q63 PolarHBondContact O-N 3.24Å; Q63-T67 WeakPolarHBondContact CA-OG1 3.21Å; Q63-I68 HydrophobicContact CB-CG1 4.47Å; Q63-D112 VanDerWaalsContact CD-OD2 3.27Å; Q63-D112 PolarHBondContact NE2-OD2 3.16Å; Q63-D112 PolarHBondContact OE1-OD2 3.17Å; Q63-R164 VanDerWaalsContact CD-NH1 3.35Å; Q63-R192 PolarHBondContact N-O 2.8Å; Q63-F193 HydrophobicContact CB-CD2 4.2Å; Q63-F193 CarbonylContact O-C 3.55Å; Q63-F193 WeakPolarHBondContact O-CA 3.39Å; Q63-F193 VanDerWaalsContact O-CD2 3.28Å; Q63-F193 WeakPolarHBondContact O-CD2 3.48Å; Q63-Y194 PolarHBondContact O-N 3.03Å
64	T	96.3	Very high	75.6	Confident	23 Å²	23	79.3 Å²	79.3	14%	0.141	44%	0.437	C	S	.	.			trans	-119.2	166.7	170.3	61	0	0	0	0	107.7	K62 R66 T67 I68 Q129	K62-T64 PolarHBondContact O-N 2.91Å; T64-R66 PolarHBondContact O-N 3.42Å; T64-R66 PolarHBondContact OG1-N 2.86Å; T64-T67 PolarHBondContact N-OG1 3.41Å; T64-T67 PolarHBondContact O-N 3.36Å; T64-T67 VanDerWaalsContact O-N 3.09Å; T64-T67 PolarHBondContact O-OG1 3.32Å; T64-T67 PolarHBondContact OG1-N 2.79Å; T64-T67 VanDerWaalsContact OG1-N 3.15Å; T64-T67 PolarHBondContact OG1-OG1 2.88Å; T64-I68 WeakPolarHBondContact O-CG1 3.37Å; T64-I68 PolarHBondContact O-N 2.96Å; T64-Q129 WeakPolarHBondContact CA-O 3.14Å; T64-Q129 VanDerWaalsContact CB-O 3.26Å; T64-Q129 WeakPolarHBondContact CB-O 3.24Å
65	C	97.2	Very high	78.1	Confident	1 Å²	1	73.7 Å²	73.7	1%	0.007	40%	0.397	C	S	.	.	H	α-helix	trans	-59.9	-30.8	172	-58.9	0	0	0	0	112.1	I68 C69 M116 V127 P128 Q129 S130 G131 C162	C65-I68 PolarHBondContact O-N 3.36Å; C65-C69 VanDerWaalsContact O-CB 3.28Å; C65-C69 WeakPolarHBondContact O-CB 3.47Å; C65-C69 PolarHBondContact O-N 2.92Å; C65-M116 HydrophobicContact CB-SD 4.41Å; C65-V127 HydrophobicContact CB-CG1 3.91Å; C65-P128 VanDerWaalsContact CB-O 3.27Å; C65-P128 WeakPolarHBondContact CB-O 3.34Å; C65-Q129 PolarHBondContact N-O 2.86Å; C65-S130 PolarHBondContact SG-O 2.82Å; C65-S130 VanDerWaalsContact SG-O 3.4Å; C65-G131 WeakPolarHBondContact SG-CA 3.29Å; C65-G131 PolarHBondContact SG-N 3.49Å; C65-C162 WeakPolarHBondContact CA-SG 3.36Å; C65-C162 HydrophobicContact CB-CB 3.68Å; C65-C162 WeakPolarHBondContact CB-SG 3.31Å; C65-C162 WeakPolarHBondContact SG-CB 3.06Å; C65-C162 CovalentContact SG-SG 2.01Å; C65-C162 PolarHBondContact SG-SG 3Å
66	R	96.4	Very high	80.4	Confident	88 Å²	88	69.3 Å²	69.3	33%	0.332	38%	0.377	S	S	.	.	H	α-helix	trans	-64.6	-41.8	173.1	-61.9	-171.5	179.3	167.8	-3	113	T64 K70 C124 S125 V127 Q129	T64-R66 PolarHBondContact O-N 3.42Å; T64-R66 PolarHBondContact OG1-N 2.86Å; R66-K70 WeakPolarHBondContact O-CG 3.31Å; R66-K70 PolarHBondContact O-N 3.29Å; R66-C124 WeakPolarHBondContact CG-O 3.4Å; R66-S125 PolarHBondContact NE-O 3.38Å; R66-S125 PolarHBondContact NH2-O 3.06Å; R66-V127 HydrophobicContact CG-CB 4.44Å; R66-V127 WeakPolarHBondContact CG-O 3.28Å; R66-V127 PolarHBondContact NE-O 2.87Å; R66-Q129 HydrophobicContact CG-CG 4.39Å
67	T	95.3	Very high	82.7	Confident	38 Å²	38	70.6 Å²	70.6	23%	0.233	39%	0.388	C	S	.	.	H	α-helix	trans	-72	-37.1	176.8	57	0	0	0	0	111.1	Q63 T64 K70 N71	Q63-T67 WeakPolarHBondContact CA-OG1 3.21Å; T64-T67 PolarHBondContact N-OG1 3.41Å; T64-T67 PolarHBondContact O-N 3.36Å; T64-T67 VanDerWaalsContact O-N 3.09Å; T64-T67 PolarHBondContact O-OG1 3.32Å; T64-T67 PolarHBondContact OG1-N 2.79Å; T64-T67 VanDerWaalsContact OG1-N 3.15Å; T64-T67 PolarHBondContact OG1-OG1 2.88Å; T67-K70 PolarHBondContact O-N 2.91Å; T67-N71 VanDerWaalsContact O-CG 3.25Å; T67-N71 PolarHBondContact O-N 2.91Å; T67-N71 PolarHBondContact O-ND2 3.36Å
68	I	95.6	Very high	85.1	Confident	2 Å²	2	68.8 Å²	68.8	1%	0.01	38%	0.381	C	S	.	.	H	α-helix	trans	-60.6	-49.8	173.3	-64.6	163.3	0	0	0	109.5	Q63 T64 C65 K70 N71 I72 M116 F193	Q63-I68 HydrophobicContact CB-CG1 4.47Å; T64-I68 WeakPolarHBondContact O-CG1 3.37Å; T64-I68 PolarHBondContact O-N 2.96Å; C65-I68 PolarHBondContact O-N 3.36Å; I68-K70 PolarHBondContact O-N 3.39Å; I68-K70 VanDerWaalsContact O-N 3.15Å; I68-N71 PolarHBondContact O-N 2.92Å; I68-I72 HydrophobicContact CG2-CD1 4.36Å; I68-I72 HydrophobicContact CG2-CG2 3.95Å; I68-I72 WeakPolarHBondContact O-CG1 3.49Å; I68-I72 WeakPolarHBondContact O-CG2 3.45Å; I68-I72 PolarHBondContact O-N 2.99Å; I68-M116 HydrophobicContact CG2-CG 4Å; I68-F193 HydrophobicContact CD1-CD2 4.1Å; I68-F193 HydrophobicContact CD1-CE2 3.5Å; I68-F193 HydrophobicContact CD1-CZ 4.23Å
69	C	95.9	Very high	86.9	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-50.1	-42	176.2	-175.2	0	0	0	0	113	C65 N71 M116 K118 C124	C65-C69 VanDerWaalsContact O-CB 3.28Å; C65-C69 WeakPolarHBondContact O-CB 3.47Å; C65-C69 PolarHBondContact O-N 2.92Å; C69-N71 VanDerWaalsContact C-N 3.32Å; C69-M116 HydrophobicContact CB-CE 3.99Å; C69-M116 HydrophobicContact CB-SD 3.42Å; C69-M116 WeakPolarHBondContact CB-SD 3.39Å; C69-K118 WeakPolarHBondContact O-CD 3.41Å; C69-K118 WeakPolarHBondContact O-CE 3.23Å; C69-K118 PolarHBondContact O-NZ 3.29Å; C69-C124 HydrophobicContact CB-CB 3.59Å; C69-C124 WeakPolarHBondContact CB-SG 3.31Å; C69-C124 PolarHBondContact O-SG 3.5Å; C69-C124 VanDerWaalsContact O-SG 3.39Å; C69-C124 WeakPolarHBondContact SG-CA 3.38Å; C69-C124 WeakPolarHBondContact SG-CB 3.22Å; C69-C124 CovalentContact SG-SG 2.04Å; C69-C124 PolarHBondContact SG-SG 3.31Å
70	K	94	Very high	88.9	Confident	142 Å²	142	62.4 Å²	62.4	62%	0.617	34%	0.343	S	S	*	.	H	α-helix	trans	-69.6	-30.8	179.8	-71.3	174.3	-178.5	-174.6	0	112.9	R66 T67 I68 C124	R66-K70 WeakPolarHBondContact O-CG 3.31Å; R66-K70 PolarHBondContact O-N 3.29Å; T67-K70 PolarHBondContact O-N 2.91Å; I68-K70 PolarHBondContact O-N 3.39Å; I68-K70 VanDerWaalsContact O-N 3.15Å; K70-C124 HydrophobicContact CG-CB 3.92Å
71	N	91.9	Very high	90.3	Very high	122 Å²	122	64.2 Å²	64.2	65%	0.652	35%	0.35	S	S	*	.	H	α-helix	trans	-97.7	-10.8	-170.9	-65.7	-13.3	0	0	0	114.1	T67 I68 C69	T67-N71 VanDerWaalsContact O-CG 3.25Å; T67-N71 PolarHBondContact O-N 2.91Å; T67-N71 PolarHBondContact O-ND2 3.36Å; I68-N71 PolarHBondContact O-N 2.92Å; C69-N71 VanDerWaalsContact C-N 3.32Å
72	I	91.6	Very high	90.9	Very high	15 Å²	15	62.9 Å²	62.9	8%	0.077	35%	0.346	C	S	.	.	S	Bend	trans	-102	152.8	177.1	68.9	174.3	0	0	0	112.1	I68 S110 M116 K118	I68-I72 HydrophobicContact CG2-CD1 4.36Å; I68-I72 HydrophobicContact CG2-CG2 3.95Å; I68-I72 WeakPolarHBondContact O-CG1 3.49Å; I68-I72 WeakPolarHBondContact O-CG2 3.45Å; I68-I72 PolarHBondContact O-N 2.99Å; I72-S110 WeakPolarHBondContact CG2-OG 3.35Å; I72-M116 HydrophobicContact CD1-CB 4.46Å; I72-M116 HydrophobicContact CD1-CG 3.5Å; I72-M116 WeakPolarHBondContact CD1-O 3.49Å; I72-K118 HydrophobicContact CD1-CB 4.1Å; I72-K118 HydrophobicContact CG1-CB 4.35Å; I72-K118 HydrophobicContact CG1-CD 3.98Å; I72-K118 WeakPolarHBondContact O-CD 3.32Å; I72-K118 PolarHBondContact O-NZ 2.88Å
73	D	90.6	Very high	90.8	Very high	150 Å²	150	59.7 Å²	59.7	80%	0.802	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-71.1	149.9	170.4	-65.6	-40.2	0	0	0	111.3
74	S	91.2	Very high	90.4	Very high	41 Å²	41	63.4 Å²	63.4	29%	0.287	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-70.5	144.7	171.4	50.1	0	0	0	0	110.8	P76 K118	S74-P76 WeakPolarHBondContact O-CD 3.4Å; S74-K118 CarbonylContact C-O 3.49Å; S74-K118 VanDerWaalsContact CA-O 3.27Å; S74-K118 WeakPolarHBondContact CA-O 3.49Å
75	V	90.1	Very high	89.9	Confident	5 Å²	5	66.6 Å²	66.6	3%	0.03	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-62.3	122.7	166.4	171	0	0	0	0	108.6	S77 V80 L83 Y107 F117 K118	V75-S77 PolarHBondContact O-N 3.24Å; V75-V80 HydrophobicContact CG1-CG2 3.78Å; V75-L83 HydrophobicContact CG1-CD1 4.3Å; V75-L83 HydrophobicContact CG2-CD1 4Å; V75-Y107 HydrophobicContact CB-CE1 4.06Å; V75-Y107 HydrophobicContact CG1-CD1 4.48Å; V75-Y107 HydrophobicContact CG1-CE1 3.6Å; V75-Y107 HydrophobicContact CG1-CE2 4.25Å; V75-Y107 VanDerWaalsContact CG1-CZ 3.41Å; V75-Y107 WeakPolarHBondContact CG1-OH 3.46Å; V75-Y107 HydrophobicContact CG2-CD1 3.94Å; V75-Y107 HydrophobicContact CG2-CD2 4.36Å; V75-Y107 HydrophobicContact CG2-CE1 3.89Å; V75-Y107 HydrophobicContact CG2-CE2 4.33Å; V75-Y107 HydrophobicContact CG2-CG 4.14Å; V75-F117 HydrophobicContact CB-CE2 4.29Å; V75-F117 HydrophobicContact CG1-CE2 4.37Å; V75-F117 HydrophobicContact CG2-CD2 4.12Å; V75-F117 HydrophobicContact CG2-CE2 4.16Å; V75-K118 PolarHBondContact N-O 3.01Å
76	P	88.2	Confident	89.3	Confident	61 Å²	61	72.3 Å²	72.3	40%	0.396	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-59.2	138.2	177	-24.6	35.8	0	0	0	111.1	S74 S78 K79 V80	S74-P76 WeakPolarHBondContact O-CD 3.4Å; P76-S78 PolarHBondContact O-N 3.32Å; P76-K79 PolarHBondContact O-N 3.29Å; P76-V80 PolarHBondContact O-N 2.98Å
77	S	87.4	Confident	88.8	Confident	82 Å²	82	68.7 Å²	68.7	57%	0.573	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-34.2	-178.6	-63	0	0	0	0	113.6	V75 K79 E120	V75-S77 PolarHBondContact O-N 3.24Å; S77-K79 PolarHBondContact O-N 2.95Å; S77-E120 PolarHBondContact OG-OE1 2.78Å
78	S	86.9	Confident	88.3	Confident	101 Å²	101	73.5 Å²	73.5	71%	0.706	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.8	178	60.9	0	0	0	0	114.5	P76	P76-S78 PolarHBondContact O-N 3.32Å
79	K	84.9	Confident	87.7	Confident	123 Å²	123	74.5 Å²	74.5	54%	0.535	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-6.9	-173.8	-61.2	-83.2	-172	173.4	0	113.5	P76 S77 N81 A82 Y107	P76-K79 PolarHBondContact O-N 3.29Å; S77-K79 PolarHBondContact O-N 2.95Å; K79-N81 PolarHBondContact O-N 2.97Å; K79-A82 WeakPolarHBondContact O-CB 3.27Å; K79-A82 PolarHBondContact O-N 3.04Å; K79-Y107 VanDerWaalsContact C-OH 3.24Å; K79-Y107 HydrophobicContact CB-CE1 4.35Å; K79-Y107 WeakPolarHBondContact CB-OH 3.24Å; K79-Y107 PolarHBondContact O-OH 3.28Å
80	V	85.7	Confident	86.5	Confident	29 Å²	29	80.1 Å²	80.1	18%	0.176	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-53.1	-40.7	174.2	172.5	0	0	0	0	111.8	V75 P76 A82 L83 F117	V75-V80 HydrophobicContact CG1-CG2 3.78Å; P76-V80 PolarHBondContact O-N 2.98Å; V80-A82 PolarHBondContact O-N 3.41Å; V80-A82 VanDerWaalsContact O-N 3.15Å; V80-L83 PolarHBondContact O-N 2.98Å; V80-F117 HydrophobicContact CG1-CE2 4.42Å; V80-F117 HydrophobicContact CG1-CZ 3.93Å; V80-F117 HydrophobicContact CG2-CZ 4.3Å
81	N	85.3	Confident	85.2	Confident	106 Å²	106	75.7 Å²	75.7	57%	0.567	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-60.3	-26.2	179	-79.7	-40.4	0	0	0	114	K79 L83 K84	K79-N81 PolarHBondContact O-N 2.97Å; N81-L83 PolarHBondContact O-N 3.43Å; N81-K84 PolarHBondContact O-N 2.99Å; N81-K84 WeakPolarHBondContact OD1-CE 3.28Å; N81-K84 PolarHBondContact OD1-NZ 3.18Å
82	A	83.3	Confident	83.3	Confident	72 Å²	72	76.3 Å²	76.3	60%	0.595	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-74.7	-13.3	177.2	0	0	0	0	0	113	K79 V80	K79-A82 WeakPolarHBondContact O-CB 3.27Å; K79-A82 PolarHBondContact O-N 3.04Å; V80-A82 PolarHBondContact O-N 3.41Å; V80-A82 VanDerWaalsContact O-N 3.15Å
83	L	85.4	Confident	81.4	Confident	10 Å²	10	78 Å²	78	5%	0.052	46%	0.457	C	S	.	.	G	3₁₀ helix	trans	-96.2	13	175.9	-67.4	-177.9	0	0	0	113.3	V75 V80 N81 Y107 W115 F117 Q157 R158 H160	V75-L83 HydrophobicContact CG1-CD1 4.3Å; V75-L83 HydrophobicContact CG2-CD1 4Å; V80-L83 PolarHBondContact O-N 2.98Å; N81-L83 PolarHBondContact O-N 3.43Å; L83-Y107 HydrophobicContact CD1-CD2 3.83Å; L83-Y107 HydrophobicContact CD1-CE2 3.42Å; L83-Y107 VanDerWaalsContact CD1-CE2 3.42Å; L83-Y107 HydrophobicContact CD2-CD2 4.07Å; L83-Y107 HydrophobicContact CD2-CE2 3.74Å; L83-Y107 HydrophobicContact CG-CD2 4.26Å; L83-Y107 HydrophobicContact CG-CE2 3.58Å; L83-W115 HydrophobicContact CD1-CH2 4.39Å; L83-W115 HydrophobicContact CD1-CZ2 4.29Å; L83-F117 HydrophobicContact CD1-CD2 3.67Å; L83-F117 HydrophobicContact CD1-CE2 3.74Å; L83-Q157 HydrophobicContact CD2-CB 3.88Å; L83-R158 VanDerWaalsContact O-CA 3.22Å; L83-R158 WeakPolarHBondContact O-CA 3.23Å; L83-H160 PolarHBondContact O-NE2 2.9Å
84	K	85.9	Confident	79.6	Confident	120 Å²	120	78.3 Å²	78.3	52%	0.522	45%	0.453	S	S	.	.	S	Bend	trans	-73.2	144.1	173.1	-72.1	178.6	173.4	170.8	0	111.3	N81 M86 R158	N81-K84 PolarHBondContact O-N 2.99Å; N81-K84 WeakPolarHBondContact OD1-CE 3.28Å; N81-K84 PolarHBondContact OD1-NZ 3.18Å; K84-M86 PolarHBondContact O-N 3Å; K84-R158 WeakPolarHBondContact O-CD 3.36Å
85	P	85.5	Confident	77.9	Confident	91 Å²	91	78.6 Å²	78.6	59%	0.591	45%	0.449	S	S	*	.			trans	-53.9	137.1	170.2	-25.3	34	0	0	0	112.1
86	M	83.5	Confident	76.2	Confident	120 Å²	120	82.2 Å²	82.2	59%	0.591	47%	0.469	S	S	*	.			trans	-105	-18.3	-178.3	-61.4	180	66.3	0	0	112.6	K84 D210	K84-M86 PolarHBondContact O-N 3Å; M86-D210 WeakPolarHBondContact CB-OD2 3.47Å; M86-D210 PolarHBondContact N-OD1 2.73Å; M86-D210 PolarHBondContact N-OD2 3Å
87	G	86.3	Confident	74.4	Confident	12 Å²	12	85.9 Å²	85.9	12%	0.124	48%	0.48	C	S	.	.	S	Bend	trans	81.2	-131	-169.9	0	0	0	0	0	112.1	M89 D210	G87-M89 PolarHBondContact O-N 3.31Å; G87-D210 WeakPolarHBondContact CA-OD1 3.45Å; G87-D210 PolarHBondContact N-OD1 3.3Å; G87-D210 PolarHBondContact O-N 3.23Å; G87-D210 VanDerWaalsContact O-OD1 3.13Å
88	K	85.9	Confident	72.5	Confident	140 Å²	140	89.5 Å²	89.5	61%	0.609	49%	0.489	S	S	*	.	B	Isolated β-bridge	trans	-63.8	123.3	176.7	-172.7	-177.8	177.4	-168	0	109.4	D209	K88-D209 WeakPolarHBondContact CA-OD2 3.03Å
89	M	83.1	Confident	70.6	Confident	22 Å²	22	88 Å²	88	11%	0.108	47%	0.471	C	S	.	.			trans	-73.1	144.3	-179.9	-67.6	-171.4	-77.7	0	0	110.6	G87 F91 V155 R158 P207 L208	G87-M89 PolarHBondContact O-N 3.31Å; M89-F91 PolarHBondContact O-N 3.17Å; M89-V155 HydrophobicContact CE-CG2 3.57Å; M89-V155 HydrophobicContact SD-CG2 3.67Å; M89-R158 PolarHBondContact SD-NH2 2.81Å; M89-P207 VanDerWaalsContact CE-C 3.47Å; M89-P207 HydrophobicContact CE-CB 4.3Å; M89-P207 HydrophobicContact CE-CG 4.38Å; M89-P207 WeakPolarHBondContact CE-O 3.05Å; M89-L208 PolarHBondContact N-O 3.04Å
90	P	70.1	Confident	68.7	Low	119 Å²	119	87.8 Å²	87.8	77%	0.773	48%	0.476	S	S	*	.			trans	-72.7	79.1	178.2	31	-34.6	0	0	0	109.7
91	F	67.2	Low	67	Low	48 Å²	48	89.3 Å²	89.3	21%	0.211	49%	0.486	C	S	.	.			trans	-108.1	125.8	172.4	-168.4	-102.3	0	0	0	109.1	M89 G93 E94 M99 L208 L297	M89-F91 PolarHBondContact O-N 3.17Å; F91-G93 VanDerWaalsContact C-N 3.25Å; F91-G93 VanDerWaalsContact CD1-N 3.27Å; F91-G93 VanDerWaalsContact CE1-CA 3.46Å; F91-G93 PolarHBondContact O-N 2.9Å; F91-E94 WeakPolarHBondContact CZ-O 2.92Å; F91-M99 HydrophobicContact CD2-SD 4.39Å; F91-M99 HydrophobicContact CE2-CE 4.33Å; F91-M99 HydrophobicContact CE2-SD 3.63Å; F91-L208 HydrophobicContact CB-CD2 4.01Å; F91-L208 HydrophobicContact CD1-CD2 3.84Å; F91-L208 HydrophobicContact CG-CD2 3.9Å; F91-L297 HydrophobicContact CE1-CD1 4.25Å; F91-L297 HydrophobicContact CE1-CD2 3.53Å; F91-L297 HydrophobicContact CE1-CG 4.39Å; F91-L297 HydrophobicContact CE2-CD2 4.27Å; F91-L297 HydrophobicContact CZ-CD2 3.39Å
92	T	50.6	Low	65.1	Low	136 Å²	136	86.4 Å²	86.4	83%	0.834	47%	0.47	S	S	*	.			trans	-79.4	-3.8	-175.5	49.6	0	0	0	0	113.7	E94	T92-E94 VanDerWaalsContact C-N 3.34Å
93	G	52.6	Low	63.3	Low	49 Å²	49	86.8 Å²	86.8	51%	0.505	46%	0.463	S	S	.	.	S	Bend	trans	92	-11.9	175.8	0	0	0	0	0	114.4	F91	F91-G93 VanDerWaalsContact C-N 3.25Å; F91-G93 VanDerWaalsContact CD1-N 3.27Å; F91-G93 VanDerWaalsContact CE1-CA 3.46Å; F91-G93 PolarHBondContact O-N 2.9Å
94	E	53.7	Low	61.4	Low	157 Å²	157	94.6 Å²	94.6	73%	0.734	50%	0.504	S	S	*	.	S	Bend	trans	-100.9	124.1	171.9	-72.7	-178.6	171.5	0	0	109.8	F91 T92 N96	F91-E94 WeakPolarHBondContact CZ-O 2.92Å; T92-E94 VanDerWaalsContact C-N 3.34Å; E94-N96 PolarHBondContact O-N 2.77Å
95	F	54.9	Low	59.7	Low	47 Å²	47	94 Å²	94	21%	0.206	51%	0.511	C	S	.	.			trans	-65.7	101.5	165.6	178.5	-96.4	0	0	0	107.6	E97 N147 Q299 P300	F95-E97 HydrophobicContact CD1-CG 4.49Å; F95-E97 HydrophobicContact CE1-CG 4.06Å; F95-N147 HydrophobicContact CE2-CB 4.38Å; F95-N147 VanDerWaalsContact CE2-ND2 3.25Å; F95-N147 WeakPolarHBondContact CE2-ND2 3.04Å; F95-N147 WeakPolarHBondContact CZ-ND2 3.37Å; F95-Q299 HydrophobicContact CD2-CG 4.18Å; F95-Q299 HydrophobicContact CE2-CG 4.06Å; F95-Q299 VanDerWaalsContact CE2-OE1 3.27Å; F95-P300 HydrophobicContact CD1-CG 4.46Å
96	N	54.3	Low	58.6	Low	81 Å²	81	91 Å²	91	43%	0.433	49%	0.489	S	S	.	.			trans	-86.1	125	167.3	-171.5	-5.2	0	0	0	107.9	E94 E98 M99	E94-N96 PolarHBondContact O-N 2.77Å; N96-E98 PolarHBondContact ND2-OE2 3.05Å; N96-E98 PolarHBondContact O-N 2.98Å; N96-E98 VanDerWaalsContact O-N 3.11Å; N96-E98 WeakPolarHBondContact OD1-CB 2.9Å; N96-E98 PolarHBondContact OD1-N 2.72Å; N96-M99 PolarHBondContact O-N 3Å
97	E	51	Low	57.7	Low	138 Å²	138	87.1 Å²	87.1	65%	0.645	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-20.2	175	-53.3	-153.9	136.1	0	0	112.3	F95 M99 K143	F95-E97 HydrophobicContact CD1-CG 4.49Å; F95-E97 HydrophobicContact CE1-CG 4.06Å; E97-M99 VanDerWaalsContact C-N 3.28Å; E97-M99 PolarHBondContact O-N 3.26Å; E97-K143 IonicContact OE1-NZ 3.96Å; E97-K143 PolarHBondContact OE1-NZ 3.11Å; E97-K143 IonicContact OE2-NZ 2.84Å; E97-K143 PolarHBondContact OE2-NZ 2.89Å
98	E	46.8	Very low	56.7	Low	159 Å²	159	91.2 Å²	91.2	74%	0.743	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	6.3	174.7	-57.3	178.8	155	0	0	114.2	N96 N100	N96-E98 PolarHBondContact ND2-OE2 3.05Å; N96-E98 PolarHBondContact O-N 2.98Å; N96-E98 VanDerWaalsContact O-N 3.11Å; N96-E98 WeakPolarHBondContact OD1-CB 2.9Å; N96-E98 PolarHBondContact OD1-N 2.72Å; E98-N100 VanDerWaalsContact C-N 3.31Å; E98-N100 PolarHBondContact O-N 2.6Å
99	M	47	Very low	56.2	Low	69 Å²	69	85.1 Å²	85.1	34%	0.34	47%	0.466	S	S	.	.	S	Bend	trans	-58.2	100.3	166.2	-83.2	-169.4	82	0	0	108.5	F91 N96 E97 P101	F91-M99 HydrophobicContact CD2-SD 4.39Å; F91-M99 HydrophobicContact CE2-CE 4.33Å; F91-M99 HydrophobicContact CE2-SD 3.63Å; N96-M99 PolarHBondContact O-N 3Å; E97-M99 VanDerWaalsContact C-N 3.28Å; E97-M99 PolarHBondContact O-N 3.26Å; M99-P101 WeakPolarHBondContact O-CD 3.27Å; M99-P101 VanDerWaalsContact O-N 3.09Å
100	N	44.4	Very low	56.3	Low	118 Å²	118	85.4 Å²	85.4	63%	0.631	47%	0.47	S	S	*	.			trans	-58.9	114.5	-174	-147.9	-3	0	0	0	108.9	E98 I102	E98-N100 VanDerWaalsContact C-N 3.31Å; E98-N100 PolarHBondContact O-N 2.6Å; N100-I102 PolarHBondContact O-N 3.39Å
101	P	50.6	Low	57	Low	62 Å²	62	86 Å²	86	40%	0.403	47%	0.466	S	S	.	.	S	Bend	trans	-81.1	112.3	-162.6	30.4	-30.8	0	0	0	107.1	M99 N146 S150	M99-P101 WeakPolarHBondContact O-CD 3.27Å; M99-P101 VanDerWaalsContact O-N 3.09Å; P101-N146 HydrophobicContact CB-CB 4.34Å; P101-S150 VanDerWaalsContact C-OG 3.29Å; P101-S150 WeakPolarHBondContact CA-OG 3.5Å
102	I	45.4	Very low	58.2	Low	45 Å²	45	83.9 Å²	83.9	23%	0.231	46%	0.457	C	S	.	.	S	Bend	trans	67.5	75.4	-175.2	-51.5	162	0	0	0	110.6	N100 D104 F106 S150 H343	N100-I102 PolarHBondContact O-N 3.39Å; I102-D104 PolarHBondContact O-N 3.12Å; I102-F106 HydrophobicContact CB-CD2 4.26Å; I102-F106 HydrophobicContact CB-CE2 3.6Å; I102-F106 HydrophobicContact CB-CZ 4.42Å; I102-F106 HydrophobicContact CG1-CE2 3.94Å; I102-F106 HydrophobicContact CG2-CD2 3.33Å; I102-F106 HydrophobicContact CG2-CE2 3.19Å; I102-F106 HydrophobicContact CG2-CZ 4.32Å; I102-S150 PolarHBondContact N-OG 3.45Å; I102-H343 VanDerWaalsContact CG2-NE2 3.35Å; I102-H343 WeakPolarHBondContact CG2-NE2 3.31Å
103	N	45.3	Very low	60.3	Low	80 Å²	80	77.4 Å²	77.4	43%	0.428	42%	0.417	S	S	.	.			trans	-53	135.4	164.4	-83.9	-19.4	0	0	0	109.3	T105 F106	N103-T105 WeakPolarHBondContact CB-OG1 3.48Å; N103-T105 PolarHBondContact O-N 3.31Å; N103-T105 PolarHBondContact O-OG1 2.84Å; N103-F106 PolarHBondContact O-N 3.43Å
104	D	44.9	Very low	62.3	Low	174 Å²	174	75.1 Å²	75.1	93%	0.93	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	3.6	166.4	-80.2	-33.2	0	0	0	114.4	I102 F106	I102-D104 PolarHBondContact O-N 3.12Å; D104-F106 PolarHBondContact O-N 2.01Å
105	T	49.6	Very low	64.3	Low	108 Å²	108	67.9 Å²	67.9	66%	0.663	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-6.7	170.1	43.8	0	0	0	0	114.4	N103	N103-T105 WeakPolarHBondContact CB-OG1 3.48Å; N103-T105 PolarHBondContact O-N 3.31Å; N103-T105 PolarHBondContact O-OG1 2.84Å
106	F	63.1	Low	66.2	Low	28 Å²	28	66.2 Å²	66.2	12%	0.123	35%	0.352	C	S	.	.	S	Bend	trans	-78.4	145.8	176.4	-51.1	-26	0	0	0	110.9	I102 N103 D104 S150 I153 P154	I102-F106 HydrophobicContact CB-CD2 4.26Å; I102-F106 HydrophobicContact CB-CE2 3.6Å; I102-F106 HydrophobicContact CB-CZ 4.42Å; I102-F106 HydrophobicContact CG1-CE2 3.94Å; I102-F106 HydrophobicContact CG2-CD2 3.33Å; I102-F106 HydrophobicContact CG2-CE2 3.19Å; I102-F106 HydrophobicContact CG2-CZ 4.32Å; N103-F106 PolarHBondContact O-N 3.43Å; D104-F106 PolarHBondContact O-N 2.01Å; F106-S150 WeakPolarHBondContact CZ-O 3.2Å; F106-I153 HydrophobicContact CD2-CG2 4.07Å; F106-I153 HydrophobicContact CE2-CG2 4.38Å; F106-I153 HydrophobicContact CG-CG2 4.16Å; F106-P154 HydrophobicContact CD1-CG 3.67Å; F106-P154 HydrophobicContact CE1-CB 4.43Å; F106-P154 HydrophobicContact CE1-CG 3.1Å; F106-P154 HydrophobicContact CZ-CG 3.72Å
107	Y	64.4	Low	68.1	Low	37 Å²	37	63.5 Å²	63.5	15%	0.145	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-65.4	137.1	163	-67.1	-86.3	0	0	0	108.9	V75 K79 L83 Q109 Q157	V75-Y107 HydrophobicContact CB-CE1 4.06Å; V75-Y107 HydrophobicContact CG1-CD1 4.48Å; V75-Y107 HydrophobicContact CG1-CE1 3.6Å; V75-Y107 HydrophobicContact CG1-CE2 4.25Å; V75-Y107 VanDerWaalsContact CG1-CZ 3.41Å; V75-Y107 WeakPolarHBondContact CG1-OH 3.46Å; V75-Y107 HydrophobicContact CG2-CD1 3.94Å; V75-Y107 HydrophobicContact CG2-CD2 4.36Å; V75-Y107 HydrophobicContact CG2-CE1 3.89Å; V75-Y107 HydrophobicContact CG2-CE2 4.33Å; V75-Y107 HydrophobicContact CG2-CG 4.14Å; K79-Y107 VanDerWaalsContact C-OH 3.24Å; K79-Y107 HydrophobicContact CB-CE1 4.35Å; K79-Y107 WeakPolarHBondContact CB-OH 3.24Å; K79-Y107 PolarHBondContact O-OH 3.28Å; L83-Y107 HydrophobicContact CD1-CD2 3.83Å; L83-Y107 HydrophobicContact CD1-CE2 3.42Å; L83-Y107 VanDerWaalsContact CD1-CE2 3.42Å; L83-Y107 HydrophobicContact CD2-CD2 4.07Å; L83-Y107 HydrophobicContact CD2-CE2 3.74Å; L83-Y107 HydrophobicContact CG-CD2 4.26Å; L83-Y107 HydrophobicContact CG-CE2 3.58Å; Y107-Q109 PolarHBondContact O-N 2.68Å; Y107-Q109 VanDerWaalsContact O-N 3.09Å; Y107-Q157 PolarHBondContact O-NE2 3.4Å
108	P	66	Low	70.1	Confident	99 Å²	99	58.7 Å²	58.7	64%	0.643	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-51.8	121.3	177.6	-24.6	32.7	0	0	0	109.9
109	Q	76.3	Confident	72.3	Confident	11 Å²	11	54.9 Å²	54.9	5%	0.051	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-77.5	155.3	165.3	-65.5	-176.4	44.7	0	0	108.5	Y107 G113 W115 Q342 H343	Y107-Q109 PolarHBondContact O-N 2.68Å; Y107-Q109 VanDerWaalsContact O-N 3.09Å; Q109-G113 PolarHBondContact OE1-O 2.92Å; Q109-W115 HydrophobicContact CG-CB 3.99Å; Q109-W115 HydrophobicContact CG-CG 4.27Å; Q109-Q342 WeakPolarHBondContact CB-O 3.48Å; Q109-H343 PolarHBondContact NE2-ND1 3.11Å; Q109-H343 VanDerWaalsContact NE2-ND1 3.1Å
110	S	83.3	Confident	74.5	Confident	28 Å²	28	57.8 Å²	57.8	20%	0.196	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-59.7	156.7	171.3	-55.2	0	0	0	0	110.2	I72 D112 G113 S114	I72-S110 WeakPolarHBondContact CG2-OG 3.35Å; S110-D112 VanDerWaalsContact CB-OD1 3.28Å; S110-D112 WeakPolarHBondContact CB-OD1 3.14Å; S110-D112 PolarHBondContact O-N 2.87Å; S110-G113 PolarHBondContact O-N 3.2Å; S110-G113 VanDerWaalsContact O-N 3.1Å; S110-S114 VanDerWaalsContact CB-OG 3.23Å; S110-S114 WeakPolarHBondContact CB-OG 3.24Å; S110-S114 PolarHBondContact N-O 2.92Å; S110-S114 PolarHBondContact OG-O 2.93Å; S110-S114 PolarHBondContact OG-OG 2.67Å
111	L	86	Confident	76.8	Confident	131 Å²	131	58.1 Å²	58.1	69%	0.686	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	51.6	178.3	-168.4	69.4	0	0	0	112.3	E340 K341	L111-E340 WeakPolarHBondContact O-CB 3.46Å; L111-K341 CarbonylContact C-O 3.55Å
112	D	92.1	Very high	78.9	Confident	5 Å²	5	57 Å²	57	3%	0.027	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-163.5	4.5	174.3	63.8	2.2	0	0	0	113	Q63 S110 S114 R164 E340 K341 Y344 T345	Q63-D112 VanDerWaalsContact CD-OD2 3.27Å; Q63-D112 PolarHBondContact NE2-OD2 3.16Å; Q63-D112 PolarHBondContact OE1-OD2 3.17Å; S110-D112 VanDerWaalsContact CB-OD1 3.28Å; S110-D112 WeakPolarHBondContact CB-OD1 3.14Å; S110-D112 PolarHBondContact O-N 2.87Å; D112-S114 VanDerWaalsContact C-N 3.34Å; D112-S114 WeakPolarHBondContact OD1-CB 3.23Å; D112-S114 PolarHBondContact OD1-N 3.37Å; D112-S114 PolarHBondContact OD1-OG 3.22Å; D112-R164 PolarHBondContact O-NE 3.3Å; D112-R164 IonicContact OD2-CZ 2.59Å; D112-R164 IonicContact OD2-NE 3.45Å; D112-R164 IonicContact OD2-NH1 3.85Å; D112-R164 PolarHBondContact OD2-NH1 3.19Å; D112-R164 IonicContact OD2-NH2 3.66Å; D112-E340 HydrophobicContact CB-CB 3.99Å; D112-E340 HydrophobicContact CB-CG 4.28Å; D112-K341 CarbonylContact C-O 3.42Å; D112-K341 WeakPolarHBondContact CA-O 3.45Å; D112-K341 PolarHBondContact N-O 3.22Å; D112-K341 VanDerWaalsContact N-O 3.11Å; D112-Y344 CarbonylContact O-C 3.38Å; D112-T345 PolarHBondContact O-N 3.45Å; D112-T345 VanDerWaalsContact O-N 3.17Å; D112-T345 PolarHBondContact O-OG1 3.37Å
113	G	94.1	Very high	81.4	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.318	C	S	.	.	S	Bend	trans	76.6	17.4	-176.1	0	0	0	0	0	114.7	Q109 S110 R164 I165 K341 Y344	Q109-G113 PolarHBondContact OE1-O 2.92Å; S110-G113 PolarHBondContact O-N 3.2Å; S110-G113 VanDerWaalsContact O-N 3.1Å; G113-R164 WeakPolarHBondContact O-CA 3.35Å; G113-I165 PolarHBondContact O-N 3.3Å; G113-K341 PolarHBondContact N-O 3.09Å; G113-Y344 VanDerWaalsContact CA-N 3.34Å
114	S	96	Very high	83.8	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.007	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	142	170.9	68.9	0	0	0	0	111.9	S110 D112 Y163	S110-S114 VanDerWaalsContact CB-OG 3.23Å; S110-S114 WeakPolarHBondContact CB-OG 3.24Å; S110-S114 PolarHBondContact N-O 2.92Å; S110-S114 PolarHBondContact OG-O 2.93Å; S110-S114 PolarHBondContact OG-OG 2.67Å; D112-S114 VanDerWaalsContact C-N 3.34Å; D112-S114 WeakPolarHBondContact OD1-CB 3.23Å; D112-S114 PolarHBondContact OD1-N 3.37Å; D112-S114 PolarHBondContact OD1-OG 3.22Å; S114-Y163 VanDerWaalsContact CA-O 3.3Å; S114-Y163 WeakPolarHBondContact CA-O 3.18Å
115	W	95.5	Very high	86.3	Confident	5 Å²	5	50.3 Å²	50.3	2%	0.019	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	153.5	177.1	-173.4	88	0	0	0	110.8	L83 Q109 F117 Q157 L161 C162 Y163	L83-W115 HydrophobicContact CD1-CH2 4.39Å; L83-W115 HydrophobicContact CD1-CZ2 4.29Å; Q109-W115 HydrophobicContact CG-CB 3.99Å; Q109-W115 HydrophobicContact CG-CG 4.27Å; W115-F117 HydrophobicContact CH2-CB 3.68Å; W115-F117 HydrophobicContact CH2-CD2 4.22Å; W115-F117 HydrophobicContact CH2-CG 4.47Å; W115-F117 HydrophobicContact CZ2-CB 4.48Å; W115-F117 HydrophobicContact CZ3-CB 4.08Å; W115-F117 VanDerWaalsContact CZ3-N 3.27Å; W115-Q157 HydrophobicContact CD2-CG 3.84Å; W115-Q157 HydrophobicContact CE3-CG 3.9Å; W115-Q157 HydrophobicContact CH2-CB 3.79Å; W115-Q157 HydrophobicContact CH2-CG 3.85Å; W115-Q157 HydrophobicContact CZ2-CB 4.07Å; W115-Q157 HydrophobicContact CZ2-CG 3.79Å; W115-Q157 HydrophobicContact CZ3-CB 4.07Å; W115-Q157 HydrophobicContact CZ3-CG 3.92Å; W115-L161 VanDerWaalsContact CE3-O 3.29Å; W115-L161 WeakPolarHBondContact CZ3-O 3.46Å; W115-C162 WeakPolarHBondContact O-CA 3.07Å; W115-Y163 HydrophobicContact CB-CE1 3.98Å; W115-Y163 HydrophobicContact CB-CE2 4.22Å; W115-Y163 HydrophobicContact CD2-CE1 4.23Å; W115-Y163 HydrophobicContact CE3-CD1 4.24Å; W115-Y163 AromaticContact CE3-CE1 3.59Å; W115-Y163 HydrophobicContact CE3-CE1 3.59Å; W115-Y163 HydrophobicContact CG-CE1 4.42Å; W115-Y163 HydrophobicContact CZ3-CE1 4.44Å; W115-Y163 PolarHBondContact N-O 2.85Å; W115-Y163 VanDerWaalsContact N-O 3.08Å; W115-Y163 PolarHBondContact O-N 3.38Å
116	M	94.9	Very high	88.5	Confident	12 Å²	12	51.3 Å²	51.3	6%	0.059	28%	0.279	C	S	.	.			trans	-150.2	160.8	161.6	67.4	168.2	-86.1	0	0	110.9	C65 I68 C69 I72 K118 V127 L161 C162	C65-M116 HydrophobicContact CB-SD 4.41Å; I68-M116 HydrophobicContact CG2-CG 4Å; C69-M116 HydrophobicContact CB-CE 3.99Å; C69-M116 HydrophobicContact CB-SD 3.42Å; C69-M116 WeakPolarHBondContact CB-SD 3.39Å; I72-M116 HydrophobicContact CD1-CB 4.46Å; I72-M116 HydrophobicContact CD1-CG 3.5Å; I72-M116 WeakPolarHBondContact CD1-O 3.49Å; M116-K118 PolarHBondContact O-N 3.2Å; M116-V127 HydrophobicContact CE-CB 4.44Å; M116-V127 HydrophobicContact CE-CG1 3.69Å; M116-V127 HydrophobicContact CE-CG2 3.82Å; M116-V127 HydrophobicContact SD-CG1 3.9Å; M116-L161 WeakPolarHBondContact CA-O 3.34Å; M116-C162 HydrophobicContact CB-CB 3.77Å
117	F	93.9	Very high	90.1	Very high	24 Å²	24	50.9 Å²	50.9	11%	0.105	28%	0.278	C	S	.	.			trans	-73.5	125.3	172.3	-176.5	-102.4	0	0	0	110.2	V75 V80 L83 W115 E119 H160	V75-F117 HydrophobicContact CB-CE2 4.29Å; V75-F117 HydrophobicContact CG1-CE2 4.37Å; V75-F117 HydrophobicContact CG2-CD2 4.12Å; V75-F117 HydrophobicContact CG2-CE2 4.16Å; V80-F117 HydrophobicContact CG1-CE2 4.42Å; V80-F117 HydrophobicContact CG1-CZ 3.93Å; V80-F117 HydrophobicContact CG2-CZ 4.3Å; L83-F117 HydrophobicContact CD1-CD2 3.67Å; L83-F117 HydrophobicContact CD1-CE2 3.74Å; W115-F117 HydrophobicContact CH2-CB 3.68Å; W115-F117 HydrophobicContact CH2-CD2 4.22Å; W115-F117 HydrophobicContact CH2-CG 4.47Å; W115-F117 HydrophobicContact CZ2-CB 4.48Å; W115-F117 HydrophobicContact CZ3-CB 4.08Å; W115-F117 VanDerWaalsContact CZ3-N 3.27Å; F117-E119 HydrophobicContact CD1-CG 4.34Å; F117-E119 HydrophobicContact CE1-CG 3.39Å; F117-E119 HydrophobicContact CZ-CG 3.62Å; F117-H160 HydrophobicContact CB-CB 3.73Å; F117-H160 HydrophobicContact CD1-CB 4.34Å; F117-H160 AromaticContact CD1-CE1 3.87Å; F117-H160 AromaticContact CD1-CG 3.88Å; F117-H160 AromaticContact CD1-ND1 3.54Å; F117-H160 AromaticContact CD2-CD2 3.82Å; F117-H160 AromaticContact CD2-NE2 3.82Å; F117-H160 AromaticContact CE1-CE1 3.64Å; F117-H160 AromaticContact CE1-ND1 3.73Å; F117-H160 AromaticContact CE2-CE1 3.88Å; F117-H160 AromaticContact CE2-NE2 3.75Å; F117-H160 HydrophobicContact CG-CB 4.07Å; F117-H160 AromaticContact CG-CD2 3.9Å; F117-H160 AromaticContact CG-CG 3.68Å; F117-H160 AromaticContact CG-ND1 3.81Å; F117-H160 AromaticContact CZ-CE1 3.67Å
118	K	93.6	Very high	91.5	Very high	37 Å²	37	53.3 Å²	53.3	16%	0.161	30%	0.299	C	S	.	.			trans	-134.5	122.4	179.1	-179.8	-172.5	179.7	176.2	0	109.2	C69 I72 S74 V75 M116 T122	C69-K118 WeakPolarHBondContact O-CD 3.41Å; C69-K118 WeakPolarHBondContact O-CE 3.23Å; C69-K118 PolarHBondContact O-NZ 3.29Å; I72-K118 HydrophobicContact CD1-CB 4.1Å; I72-K118 HydrophobicContact CG1-CB 4.35Å; I72-K118 HydrophobicContact CG1-CD 3.98Å; I72-K118 WeakPolarHBondContact O-CD 3.32Å; I72-K118 PolarHBondContact O-NZ 2.88Å; S74-K118 CarbonylContact C-O 3.49Å; S74-K118 VanDerWaalsContact CA-O 3.27Å; S74-K118 WeakPolarHBondContact CA-O 3.49Å; V75-K118 PolarHBondContact N-O 3.01Å; M116-K118 PolarHBondContact O-N 3.2Å; K118-T122 HydrophobicContact CG-CG2 4.39Å
119	E	92.5	Very high	92.9	Very high	79 Å²	79	53 Å²	53	37%	0.369	29%	0.289	S	S	.	.			trans	-92.3	161.8	169.1	-60.1	-179.8	121	0	0	110	F117 T121 T122	F117-E119 HydrophobicContact CD1-CG 4.34Å; F117-E119 HydrophobicContact CE1-CG 3.39Å; F117-E119 HydrophobicContact CZ-CG 3.62Å; E119-T121 PolarHBondContact O-N 3.25Å; E119-T121 VanDerWaalsContact O-N 3.16Å; E119-T122 PolarHBondContact N-OG1 3.21Å; E119-T122 VanDerWaalsContact O-CB 3.24Å; E119-T122 WeakPolarHBondContact O-CB 3.24Å; E119-T122 PolarHBondContact O-N 3.37Å; E119-T122 PolarHBondContact O-OG1 3.1Å
120	E	91.9	Very high	93.9	Very high	129 Å²	129	53.8 Å²	53.8	60%	0.603	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-30	177.2	-68.2	168.2	-146.7	0	0	112.6	S77	S77-E120 PolarHBondContact OG-OE1 2.78Å
121	T	93.7	Very high	94.5	Very high	125 Å²	125	52.8 Å²	52.8	77%	0.767	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-1.3	178.7	55.4	0	0	0	0	113.9	E119 D123	E119-T121 PolarHBondContact O-N 3.25Å; E119-T121 VanDerWaalsContact O-N 3.16Å; T121-D123 PolarHBondContact O-N 2.96Å
122	T	95	Very high	95.1	Very high	39 Å²	39	46.6 Å²	46.6	24%	0.239	26%	0.257	C	S	.	.			trans	-69.5	117.7	-174.6	-64.3	0	0	0	0	111.6	K118 E119 C124 V127	K118-T122 HydrophobicContact CG-CG2 4.39Å; E119-T122 PolarHBondContact N-OG1 3.21Å; E119-T122 VanDerWaalsContact O-CB 3.24Å; E119-T122 WeakPolarHBondContact O-CB 3.24Å; E119-T122 PolarHBondContact O-N 3.37Å; E119-T122 PolarHBondContact O-OG1 3.1Å; T122-C124 PolarHBondContact O-N 3.17Å; T122-V127 HydrophobicContact CG2-CG2 3.99Å
123	D	97.1	Very high	95.4	Very high	84 Å²	84	46.4 Å²	46.4	45%	0.449	26%	0.256	S	S	.	.			trans	-82.9	106.7	166.7	-179.6	-0.7	0	0	0	110.5	T121 S125 N126	T121-D123 PolarHBondContact O-N 2.96Å; D123-S125 PolarHBondContact O-N 3.44Å; D123-S125 VanDerWaalsContact OD1-CB 3.26Å; D123-S125 WeakPolarHBondContact OD1-CB 3.32Å; D123-S125 PolarHBondContact OD1-N 3.36Å; D123-S125 PolarHBondContact OD1-OG 3.49Å; D123-S125 PolarHBondContact OD2-OG 2.85Å; D123-N126 PolarHBondContact O-N 2.88Å; D123-N126 PolarHBondContact OD2-ND2 2.98Å; D123-N126 VanDerWaalsContact OD2-ND2 3.08Å
124	C	96.7	Very high	95.7	Very high	13 Å²	13	46.4 Å²	46.4	9%	0.088	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-13.4	179.7	-62	0	0	0	0	114.4	R66 C69 K70 T122 N126	R66-C124 WeakPolarHBondContact CG-O 3.4Å; C69-C124 HydrophobicContact CB-CB 3.59Å; C69-C124 WeakPolarHBondContact CB-SG 3.31Å; C69-C124 PolarHBondContact O-SG 3.5Å; C69-C124 VanDerWaalsContact O-SG 3.39Å; C69-C124 WeakPolarHBondContact SG-CA 3.38Å; C69-C124 WeakPolarHBondContact SG-CB 3.22Å; C69-C124 CovalentContact SG-SG 2.04Å; C69-C124 PolarHBondContact SG-SG 3.31Å; K70-C124 HydrophobicContact CG-CB 3.92Å; T122-C124 PolarHBondContact O-N 3.17Å; C124-N126 VanDerWaalsContact C-N 3.34Å
125	S	95.9	Very high	95.8	Very high	62 Å²	62	46.4 Å²	46.4	43%	0.434	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-27.6	172.8	78.6	0	0	0	0	112.8	R66 D123	R66-S125 PolarHBondContact NE-O 3.38Å; R66-S125 PolarHBondContact NH2-O 3.06Å; D123-S125 PolarHBondContact O-N 3.44Å; D123-S125 VanDerWaalsContact OD1-CB 3.26Å; D123-S125 WeakPolarHBondContact OD1-CB 3.32Å; D123-S125 PolarHBondContact OD1-N 3.36Å; D123-S125 PolarHBondContact OD1-OG 3.49Å; D123-S125 PolarHBondContact OD2-OG 2.85Å
126	N	96.6	Very high	96	Very high	129 Å²	129	46.1 Å²	46.1	69%	0.69	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-12.9	-179.2	-65.6	-36.8	0	0	0	113.7	D123 C124	D123-N126 PolarHBondContact O-N 2.88Å; D123-N126 PolarHBondContact OD2-ND2 2.98Å; D123-N126 VanDerWaalsContact OD2-ND2 3.08Å; C124-N126 VanDerWaalsContact C-N 3.34Å
127	V	96.1	Very high	96.1	Very high	18 Å²	18	46.2 Å²	46.2	11%	0.109	26%	0.256	C	S	.	.	S	Bend	trans	-66.5	143.4	175.8	178.2	0	0	0	0	109.7	C65 R66 M116 T122	C65-V127 HydrophobicContact CB-CG1 3.91Å; R66-V127 HydrophobicContact CG-CB 4.44Å; R66-V127 WeakPolarHBondContact CG-O 3.28Å; R66-V127 PolarHBondContact NE-O 2.87Å; M116-V127 HydrophobicContact CE-CB 4.44Å; M116-V127 HydrophobicContact CE-CG1 3.69Å; M116-V127 HydrophobicContact CE-CG2 3.82Å; M116-V127 HydrophobicContact SD-CG1 3.9Å; T122-V127 HydrophobicContact CG2-CG2 3.99Å
128	P	95	Very high	96.2	Very high	88 Å²	88	45 Å²	45	57%	0.571	25%	0.251	S	S	*	.			trans	-51.7	155.4	171	-27.3	35.4	0	0	0	112.2	C65	C65-P128 VanDerWaalsContact CB-O 3.27Å; C65-P128 WeakPolarHBondContact CB-O 3.34Å
129	Q	94.9	Very high	96.1	Very high	93 Å²	93	44.8 Å²	44.8	44%	0.435	25%	0.249	S	C	.	.	S	Bend	trans	-80.2	-39.1	173.6	-70.6	-169.5	-8.2	0	0	111.9	T64 C65 R66 Y194	T64-Q129 WeakPolarHBondContact CA-O 3.14Å; T64-Q129 VanDerWaalsContact CB-O 3.26Å; T64-Q129 WeakPolarHBondContact CB-O 3.24Å; C65-Q129 PolarHBondContact N-O 2.86Å; R66-Q129 HydrophobicContact CG-CG 4.39Å; Q129-Y194 HydrophobicContact CB-CD1 3.95Å; Q129-Y194 HydrophobicContact CB-CE1 3.93Å
130	S	96.4	Very high	96	Very high	28 Å²	28	46.5 Å²	46.5	20%	0.196	26%	0.26	C	S	.	.			trans	-89.7	143.5	-174.7	59.5	0	0	0	0	112.6	C65 Y194 N196	C65-S130 PolarHBondContact SG-O 2.82Å; C65-S130 VanDerWaalsContact SG-O 3.4Å; S130-Y194 WeakPolarHBondContact CA-O 3.17Å; S130-N196 VanDerWaalsContact CB-CG 3.46Å; S130-N196 WeakPolarHBondContact CB-ND2 3.49Å; S130-N196 PolarHBondContact OG-ND2 2.9Å
131	G	97.2	Very high	96.1	Very high	6 Å²	6	41.3 Å²	41.3	6%	0.062	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	-152.6	165.8	0	0	0	0	0	112.7	C65 C162 Y194 F195 N196 C216	C65-G131 WeakPolarHBondContact SG-CA 3.29Å; C65-G131 PolarHBondContact SG-N 3.49Å; G131-C162 VanDerWaalsContact CA-O 3.23Å; G131-C162 WeakPolarHBondContact CA-O 3.43Å; G131-Y194 PolarHBondContact N-O 2.84Å; G131-F195 VanDerWaalsContact O-CA 3.24Å; G131-F195 WeakPolarHBondContact O-CA 3.31Å; G131-F195 WeakPolarHBondContact O-CB 3.49Å; G131-N196 PolarHBondContact O-N 2.87Å; G131-C216 PolarHBondContact O-SG 2.8Å
132	V	98.5	Very high	96.2	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.012	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	131.3	175.1	59.1	0	0	0	0	111.6	I134 L161 C162 Y163 R164 F193 C197 I199	V132-I134 HydrophobicContact CG2-CG1 4.41Å; V132-L161 HydrophobicContact CG1-CD1 4.46Å; V132-C162 PolarHBondContact N-O 3.23Å; V132-Y163 WeakPolarHBondContact O-CA 3.44Å; V132-Y163 WeakPolarHBondContact O-CB 3.32Å; V132-R164 PolarHBondContact O-N 3.46Å; V132-R164 VanDerWaalsContact O-N 3.12Å; V132-F193 WeakPolarHBondContact O-CE1 3.42Å; V132-C197 WeakPolarHBondContact CA-O 3.46Å; V132-C197 VanDerWaalsContact CG2-SG 3.54Å; V132-I199 HydrophobicContact CG2-CD1 3.94Å; V132-I199 HydrophobicContact CG2-CG1 3.79Å
133	A	98.7	Very high	96	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	126.3	169.3	0	0	0	0	0	110.1	F166 A189 F195 C197 A198 I199	A133-F166 HydrophobicContact CB-CD2 4.24Å; A133-F166 HydrophobicContact CB-CE2 4.03Å; A133-A189 HydrophobicContact CB-CB 4.24Å; A133-F195 HydrophobicContact CB-CB 4.26Å; A133-F195 HydrophobicContact CB-CD1 3.54Å; A133-F195 HydrophobicContact CB-CD2 3.71Å; A133-F195 HydrophobicContact CB-CE1 3.64Å; A133-F195 HydrophobicContact CB-CE2 3.8Å; A133-F195 HydrophobicContact CB-CG 3.57Å; A133-F195 HydrophobicContact CB-CZ 3.75Å; A133-C197 PolarHBondContact N-O 3.46Å; A133-A198 CarbonylContact O-C 3.56Å; A133-A198 VanDerWaalsContact O-CA 3.27Å; A133-A198 WeakPolarHBondContact O-CA 3.41Å; A133-I199 PolarHBondContact O-N 3.45Å
134	I	98.8	Very high	95.9	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	114.6	176.3	-58.5	174.6	0	0	0	107.6	V132 I136 L152 L156 Y163 R164 I165 F166 I199 H201	V132-I134 HydrophobicContact CG2-CG1 4.41Å; I134-I136 HydrophobicContact CG2-CD1 4.22Å; I134-I136 HydrophobicContact CG2-CG1 4.17Å; I134-L152 HydrophobicContact CG2-CD2 4.28Å; I134-L156 HydrophobicContact CD1-CD1 3.2Å; I134-L156 HydrophobicContact CD1-CD2 3.63Å; I134-L156 HydrophobicContact CD1-CG 4.03Å; I134-Y163 HydrophobicContact CD1-CD2 4.48Å; I134-R164 PolarHBondContact N-O 2.56Å; I134-I165 HydrophobicContact CB-CG1 4.27Å; I134-I165 HydrophobicContact CD1-CG1 4.33Å; I134-I165 CarbonylContact O-C 3.44Å; I134-I165 WeakPolarHBondContact O-CA 3.44Å; I134-F166 PolarHBondContact O-N 3.18Å; I134-I199 HydrophobicContact CG1-CB 4.44Å; I134-H201 HydrophobicContact CG2-CB 4.48Å
135	I	98.9	Very high	95.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	116.4	-172.6	-60.7	161.5	0	0	0	108.1	F166 I168 M182 F186 A198 I199 F200 H201	I135-F166 HydrophobicContact CG1-CB 4.46Å; I135-I168 HydrophobicContact CG2-CG1 4.13Å; I135-M182 HydrophobicContact CG2-SD 3.88Å; I135-F186 HydrophobicContact CD1-CB 4.04Å; I135-F186 HydrophobicContact CD1-CD2 4.42Å; I135-A198 HydrophobicContact CD1-CB 4.19Å; I135-I199 PolarHBondContact N-O 3.02Å; I135-F200 HydrophobicContact CB-CD1 3.98Å; I135-F200 HydrophobicContact CB-CE1 4.25Å; I135-F200 HydrophobicContact CD1-CD1 4.18Å; I135-F200 HydrophobicContact CD1-CE1 3.62Å; I135-F200 HydrophobicContact CD1-CZ 4.33Å; I135-F200 HydrophobicContact CG2-CD1 4.15Å; I135-F200 HydrophobicContact CG2-CE1 4.32Å; I135-H201 PolarHBondContact O-N 3.25Å
136	I	98.8	Very high	95.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	120.7	-177.4	-57.5	168.6	0	0	0	108.8	I134 L145 L149 I165 F166 V167 I168 H201 A203	I134-I136 HydrophobicContact CG2-CD1 4.22Å; I134-I136 HydrophobicContact CG2-CG1 4.17Å; I136-L145 HydrophobicContact CB-CD1 4.36Å; I136-L145 HydrophobicContact CD1-CD1 3.92Å; I136-L145 HydrophobicContact CG2-CD1 3.66Å; I136-L149 HydrophobicContact CD1-CD2 4.04Å; I136-I165 HydrophobicContact CD1-CG2 4.1Å; I136-F166 PolarHBondContact N-O 3.03Å; I136-V167 CarbonylContact O-C 3.4Å; I136-V167 WeakPolarHBondContact O-CA 3.33Å; I136-I168 PolarHBondContact O-N 3.49Å; I136-H201 WeakPolarHBondContact CA-O 3.26Å; I136-H201 HydrophobicContact CG1-CB 4.05Å; I136-A203 HydrophobicContact CG2-CB 3.74Å
137	V	98.1	Very high	95.3	Very high	13 Å²	13	32.7 Å²	32.7	8%	0.079	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	120.6	169.8	172.4	0	0	0	0	108.5	I168 L176 K178 L181 M182	V137-I168 VanDerWaalsContact CA-O 3.31Å; V137-I168 WeakPolarHBondContact CA-O 3.47Å; V137-I168 HydrophobicContact CG2-CB 4.47Å; V137-L176 HydrophobicContact CG1-CD1 4.27Å; V137-K178 HydrophobicContact CB-CG 4.31Å; V137-K178 HydrophobicContact CG1-CG 4.33Å; V137-K178 HydrophobicContact CG2-CG 4.45Å; V137-L181 HydrophobicContact CG1-CB 4.23Å; V137-L181 HydrophobicContact CG1-CD1 3.69Å; V137-L181 HydrophobicContact CG2-CB 3.58Å; V137-M182 HydrophobicContact CB-CE 4.18Å; V137-M182 HydrophobicContact CG2-CE 3.84Å; V137-M182 HydrophobicContact CG2-CG 4.01Å; V137-M182 HydrophobicContact CG2-SD 3.6Å; V137-M182 VanDerWaalsContact CG2-SD 3.6Å
138	C	95.1	Very high	95.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.161	C	C	.	.			trans	-123.7	119.7	179	-169.7	0	0	0	0	109.9	L145 V167 I168 E169	C138-L145 HydrophobicContact CB-CD2 3.9Å; C138-V167 HydrophobicContact CB-CG1 3.71Å; C138-I168 PolarHBondContact N-O 3.11Å; C138-E169 WeakPolarHBondContact O-CA 3.49Å; C138-E169 VanDerWaalsContact O-CB 3.24Å; C138-E169 WeakPolarHBondContact O-CB 3.14Å; C138-E169 VanDerWaalsContact O-CG 3.23Å; C138-E169 WeakPolarHBondContact O-CG 3.35Å
139	R	91.8	Very high	95.1	Very high	32 Å²	32	27.7 Å²	27.7	12%	0.121	13%	0.134	C	C	.	.	S	Bend	trans	-148.6	125.1	168.1	-177.3	-177.5	169.3	-171.3	-9.5	108.4	R141 G172 T173 G174 L176	R139-R141 WeakPolarHBondContact O-CG 3.35Å; R139-R141 PolarHBondContact O-N 3.45Å; R139-G172 PolarHBondContact NH2-O 3.46Å; R139-T173 VanDerWaalsContact NH2-CA 3.31Å; R139-T173 PolarHBondContact NH2-O 3.25Å; R139-G174 PolarHBondContact NH1-O 3.04Å; R139-G174 PolarHBondContact NH2-O 2.89Å; R139-L176 HydrophobicContact CB-CD1 4.15Å
140	D	91.5	Very high	94.7	Very high	114 Å²	114	24.1 Å²	24.1	61%	0.61	12%	0.119	S	C	*	.	S	Bend	trans	55.2	30.4	-175.2	-51	-45.9	0	0	0	112.7
141	R	94.3	Very high	94.4	Very high	20 Å²	20	23.5 Å²	23.5	8%	0.075	12%	0.115	C	C	.	.			trans	-136.5	23.3	-176.5	-65.2	-61.4	-178.7	-93.5	-0.9	113.6	R139 K143 Q144 L145 A203 H301 D302	R139-R141 WeakPolarHBondContact O-CG 3.35Å; R139-R141 PolarHBondContact O-N 3.45Å; R141-K143 PolarHBondContact O-N 2.84Å; R141-Q144 HydrophobicContact CB-CB 4.47Å; R141-Q144 PolarHBondContact O-N 3.33Å; R141-L145 WeakPolarHBondContact O-CB 3.13Å; R141-L145 PolarHBondContact O-N 3.09Å; R141-A203 HydrophobicContact CB-CB 4.1Å; R141-H301 PolarHBondContact NE-CD2 2.95Å; R141-D302 PolarHBondContact NH2-O 2.83Å
142	W	94.2	Very high	94.2	Very high	80 Å²	80	23.2 Å²	23.2	30%	0.303	11%	0.112	S	C	.	.	H	α-helix	trans	-62.7	-39.4	-174.6	-75.1	104.8	0	0	0	113.2	L145 N146 V167 E169 Y344 Y346	W142-L145 HydrophobicContact CE3-CD2 3.89Å; W142-L145 HydrophobicContact CZ3-CD2 3.84Å; W142-L145 PolarHBondContact O-N 3.18Å; W142-N146 PolarHBondContact O-N 3.11Å; W142-V167 HydrophobicContact CH2-CG1 4.32Å; W142-E169 VanDerWaalsContact CZ2-OE2 3.31Å; W142-E169 WeakPolarHBondContact CZ2-OE2 3.44Å; W142-E169 PolarHBondContact NE1-OE1 3.37Å; W142-Y344 HydrophobicContact CZ3-CE2 4.37Å; W142-Y346 AromaticContact CH2-CD2 3.6Å; W142-Y346 HydrophobicContact CH2-CD2 3.6Å; W142-Y346 AromaticContact CH2-CE2 3.54Å; W142-Y346 HydrophobicContact CH2-CE2 3.54Å; W142-Y346 HydrophobicContact CZ2-CD2 4.12Å; W142-Y346 AromaticContact CZ2-CE2 3.55Å; W142-Y346 HydrophobicContact CZ2-CE2 3.55Å
143	K	92.2	Very high	94	Very high	96 Å²	96	23.1 Å²	23.1	42%	0.417	11%	0.112	S	C	.	.	H	α-helix	trans	-59.6	-49.4	173.2	-179.3	173.5	175.6	173.1	0	110.6	E97 R141 N146 N147	E97-K143 IonicContact OE1-NZ 3.96Å; E97-K143 PolarHBondContact OE1-NZ 3.11Å; E97-K143 IonicContact OE2-NZ 2.84Å; E97-K143 PolarHBondContact OE2-NZ 2.89Å; R141-K143 PolarHBondContact O-N 2.84Å; K143-N146 PolarHBondContact O-N 2.93Å; K143-N147 PolarHBondContact O-N 3.12Å; K143-N147 PolarHBondContact O-ND2 3.25Å; K143-N147 VanDerWaalsContact O-ND2 3.14Å
144	Q	93.6	Very high	93.5	Very high	26 Å²	26	24 Å²	24	12%	0.121	12%	0.117	C	C	.	.	H	α-helix	trans	-63.8	-44.1	-179.6	-69.6	77	12.2	0	0	112.1	R141 N146 N147 T148 A203 D204 Q299 P300	R141-Q144 HydrophobicContact CB-CB 4.47Å; R141-Q144 PolarHBondContact O-N 3.33Å; Q144-N146 VanDerWaalsContact C-N 3.33Å; Q144-N146 PolarHBondContact O-N 2.72Å; Q144-N147 PolarHBondContact O-N 2.99Å; Q144-T148 WeakPolarHBondContact O-CB 3.28Å; Q144-T148 PolarHBondContact O-N 3.1Å; Q144-T148 PolarHBondContact O-OG1 2.71Å; Q144-T148 VanDerWaalsContact O-OG1 3.04Å; Q144-A203 CarbonylContact C-O 3.52Å; Q144-A203 VanDerWaalsContact C-O 3.27Å; Q144-D204 HydrophobicContact CB-CB 4.05Å; Q144-D204 HydrophobicContact CG-CB 4.12Å; Q144-Q299 HydrophobicContact CB-CB 4.44Å; Q144-Q299 HydrophobicContact CG-CB 3.75Å; Q144-Q299 PolarHBondContact O-NE2 3.08Å; Q144-P300 PolarHBondContact NE2-O 2.97Å
145	L	94.7	Very high	93.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-57.1	-46.8	176.7	176.1	65	0	0	0	111.2	I136 C138 R141 W142 N147 T148 L149 V167 A203	I136-L145 HydrophobicContact CB-CD1 4.36Å; I136-L145 HydrophobicContact CD1-CD1 3.92Å; I136-L145 HydrophobicContact CG2-CD1 3.66Å; C138-L145 HydrophobicContact CB-CD2 3.9Å; R141-L145 WeakPolarHBondContact O-CB 3.13Å; R141-L145 PolarHBondContact O-N 3.09Å; W142-L145 HydrophobicContact CE3-CD2 3.89Å; W142-L145 HydrophobicContact CZ3-CD2 3.84Å; W142-L145 PolarHBondContact O-N 3.18Å; L145-N147 VanDerWaalsContact C-N 3.32Å; L145-N147 PolarHBondContact O-N 3.15Å; L145-T148 WeakPolarHBondContact O-CB 3.25Å; L145-T148 PolarHBondContact O-N 3.36Å; L145-L149 HydrophobicContact CD1-CD1 4.02Å; L145-L149 HydrophobicContact CD1-CD2 4.49Å; L145-L149 HydrophobicContact CD1-CG 3.98Å; L145-L149 HydrophobicContact CG-CD1 3.94Å; L145-L149 HydrophobicContact CG-CG 4.29Å; L145-L149 WeakPolarHBondContact O-CB 3.3Å; L145-L149 VanDerWaalsContact O-CG 3.31Å; L145-L149 WeakPolarHBondContact O-CG 3.12Å; L145-L149 PolarHBondContact O-N 2.94Å; L145-V167 HydrophobicContact CD1-CG2 4.42Å; L145-V167 HydrophobicContact CD2-CG1 3.8Å; L145-V167 HydrophobicContact CD2-CG2 3.92Å; L145-A203 WeakPolarHBondContact CA-O 3.44Å; L145-A203 HydrophobicContact CB-CB 4.34Å; L145-A203 HydrophobicContact CD1-CB 4.42Å; L145-A203 PolarHBondContact N-O 3.49Å
146	N	92	Very high	93.1	Very high	57 Å²	57	23.9 Å²	23.9	31%	0.305	12%	0.117	S	C	.	.	H	α-helix	trans	-59.4	-44.3	179.6	-74.6	-12.1	0	0	0	111.5	P101 W142 K143 Q144 L149 S150	P101-N146 HydrophobicContact CB-CB 4.34Å; W142-N146 PolarHBondContact O-N 3.11Å; K143-N146 PolarHBondContact O-N 2.93Å; Q144-N146 VanDerWaalsContact C-N 3.33Å; Q144-N146 PolarHBondContact O-N 2.72Å; N146-L149 PolarHBondContact O-N 2.86Å; N146-S150 WeakPolarHBondContact O-CB 3.09Å; N146-S150 PolarHBondContact O-N 3.17Å; N146-S150 PolarHBondContact O-OG 3.18Å
147	N	89.9	Confident	92.8	Very high	13 Å²	13	24.1 Å²	24.1	7%	0.07	12%	0.118	C	C	.	.	H	α-helix	trans	-67.5	-40.6	177.8	-57.5	-29.6	0	0	0	112.1	F95 K143 Q144 L145 S150 S151 I206 Q299	F95-N147 HydrophobicContact CE2-CB 4.38Å; F95-N147 VanDerWaalsContact CE2-ND2 3.25Å; F95-N147 WeakPolarHBondContact CE2-ND2 3.04Å; F95-N147 WeakPolarHBondContact CZ-ND2 3.37Å; K143-N147 PolarHBondContact O-N 3.12Å; K143-N147 PolarHBondContact O-ND2 3.25Å; K143-N147 VanDerWaalsContact O-ND2 3.14Å; Q144-N147 PolarHBondContact O-N 2.99Å; L145-N147 VanDerWaalsContact C-N 3.32Å; L145-N147 PolarHBondContact O-N 3.15Å; N147-S150 WeakPolarHBondContact O-CB 3.47Å; N147-S150 PolarHBondContact O-N 3.2Å; N147-S151 PolarHBondContact O-N 3.43Å; N147-I206 HydrophobicContact CB-CD1 4.02Å; N147-Q299 VanDerWaalsContact CB-OE1 3.23Å; N147-Q299 PolarHBondContact ND2-OE1 3.25Å
148	T	93.5	Very high	92.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-57.4	-50.9	174	-65.7	0	0	0	0	110.6	Q144 L145 S150 S151 L152 A203 L205 Q299	Q144-T148 WeakPolarHBondContact O-CB 3.28Å; Q144-T148 PolarHBondContact O-N 3.1Å; Q144-T148 PolarHBondContact O-OG1 2.71Å; Q144-T148 VanDerWaalsContact O-OG1 3.04Å; L145-T148 WeakPolarHBondContact O-CB 3.25Å; L145-T148 PolarHBondContact O-N 3.36Å; T148-S150 VanDerWaalsContact C-N 3.3Å; T148-S150 PolarHBondContact O-N 2.87Å; T148-S151 PolarHBondContact O-N 2.97Å; T148-L152 WeakPolarHBondContact O-CB 3.3Å; T148-L152 PolarHBondContact O-N 3Å; T148-A203 WeakPolarHBondContact CB-O 3.17Å; T148-A203 PolarHBondContact OG1-O 2.86Å; T148-L205 VanDerWaalsContact CG2-O 3.27Å; T148-L205 WeakPolarHBondContact CG2-O 3.31Å; T148-L205 PolarHBondContact OG1-O 2.8Å; T148-Q299 PolarHBondContact OG1-NE2 3.27Å
149	L	93.1	Very high	92.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.7	-37.9	177.9	-70	176.7	0	0	0	112.1	I136 L145 N146 S151 L152 I153 I165 Y344	I136-L149 HydrophobicContact CD1-CD2 4.04Å; L145-L149 HydrophobicContact CD1-CD1 4.02Å; L145-L149 HydrophobicContact CD1-CD2 4.49Å; L145-L149 HydrophobicContact CD1-CG 3.98Å; L145-L149 HydrophobicContact CG-CD1 3.94Å; L145-L149 HydrophobicContact CG-CG 4.29Å; L145-L149 WeakPolarHBondContact O-CB 3.3Å; L145-L149 VanDerWaalsContact O-CG 3.31Å; L145-L149 WeakPolarHBondContact O-CG 3.12Å; L145-L149 PolarHBondContact O-N 2.94Å; N146-L149 PolarHBondContact O-N 2.86Å; L149-S151 PolarHBondContact O-N 3.37Å; L149-L152 PolarHBondContact O-N 3.48Å; L149-I153 HydrophobicContact CB-CD1 3.93Å; L149-I153 HydrophobicContact CD2-CD1 4.39Å; L149-I153 VanDerWaalsContact O-CB 3.3Å; L149-I153 WeakPolarHBondContact O-CB 3.31Å; L149-I153 WeakPolarHBondContact O-CD1 3.45Å; L149-I153 WeakPolarHBondContact O-CG1 3.36Å; L149-I153 PolarHBondContact O-N 2.82Å; L149-I165 HydrophobicContact CD2-CD1 3.91Å; L149-I165 HydrophobicContact CD2-CG2 4.13Å; L149-Y344 HydrophobicContact CD1-CD1 3.62Å; L149-Y344 HydrophobicContact CD1-CE1 3.78Å
150	S	88.2	Confident	92.6	Very high	18 Å²	18	29.2 Å²	29.2	13%	0.126	14%	0.141	C	C	.	.	H	α-helix	trans	-60.3	-30.1	178.3	-56.4	0	0	0	0	113.5	P101 I102 F106 N146 N147 T148 P154	P101-S150 VanDerWaalsContact C-OG 3.29Å; P101-S150 WeakPolarHBondContact CA-OG 3.5Å; I102-S150 PolarHBondContact N-OG 3.45Å; F106-S150 WeakPolarHBondContact CZ-O 3.2Å; N146-S150 WeakPolarHBondContact O-CB 3.09Å; N146-S150 PolarHBondContact O-N 3.17Å; N146-S150 PolarHBondContact O-OG 3.18Å; N147-S150 WeakPolarHBondContact O-CB 3.47Å; N147-S150 PolarHBondContact O-N 3.2Å; T148-S150 VanDerWaalsContact C-N 3.3Å; T148-S150 PolarHBondContact O-N 2.87Å; S150-P154 WeakPolarHBondContact O-CD 3.11Å; S150-P154 WeakPolarHBondContact O-CG 3.35Å
151	S	88.9	Confident	92.8	Very high	16 Å²	16	25 Å²	25	11%	0.112	12%	0.118	C	C	.	.	H	α-helix	trans	-94.5	-43.1	176	-178.9	0	0	0	0	112.3	N147 T148 L149 P154 V155 P207	N147-S151 PolarHBondContact O-N 3.43Å; T148-S151 PolarHBondContact O-N 2.97Å; L149-S151 PolarHBondContact O-N 3.37Å; S151-P154 WeakPolarHBondContact O-CD 3.46Å; S151-V155 WeakPolarHBondContact O-CG2 3.4Å; S151-V155 PolarHBondContact O-N 3.49Å; S151-P207 PolarHBondContact OG-O 3.04Å
152	L	93.6	Very high	92.9	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-64.4	-47.6	-175.8	179.5	61.8	0	0	0	111.8	I134 T148 L149 V155 L156 P207	I134-L152 HydrophobicContact CG2-CD2 4.28Å; T148-L152 WeakPolarHBondContact O-CB 3.3Å; T148-L152 PolarHBondContact O-N 3Å; L149-L152 PolarHBondContact O-N 3.48Å; L152-V155 WeakPolarHBondContact O-CA 3.12Å; L152-V155 WeakPolarHBondContact O-CB 3.44Å; L152-V155 PolarHBondContact O-N 3.18Å; L152-L156 HydrophobicContact CD1-CD1 4.4Å; L152-L156 HydrophobicContact CD1-CD2 4.12Å; L152-L156 HydrophobicContact CD1-CG 4.11Å; L152-L156 HydrophobicContact CG-CD1 4.01Å; L152-L156 HydrophobicContact CG-CG 4.19Å; L152-L156 WeakPolarHBondContact O-CG 3.08Å; L152-L156 PolarHBondContact O-N 3.05Å; L152-P207 HydrophobicContact CB-CG 4.34Å; L152-P207 HydrophobicContact CD1-CG 4.21Å
153	I	93.1	Very high	93.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-55.4	-49.8	-177.5	-72.7	160.3	0	0	0	111.7	F106 L149 V155 L156 Q157 I165 H343	F106-I153 HydrophobicContact CD2-CG2 4.07Å; F106-I153 HydrophobicContact CE2-CG2 4.38Å; F106-I153 HydrophobicContact CG-CG2 4.16Å; L149-I153 HydrophobicContact CB-CD1 3.93Å; L149-I153 HydrophobicContact CD2-CD1 4.39Å; L149-I153 VanDerWaalsContact O-CB 3.3Å; L149-I153 WeakPolarHBondContact O-CB 3.31Å; L149-I153 WeakPolarHBondContact O-CD1 3.45Å; L149-I153 WeakPolarHBondContact O-CG1 3.36Å; L149-I153 PolarHBondContact O-N 2.82Å; I153-V155 VanDerWaalsContact C-N 3.31Å; I153-V155 PolarHBondContact O-N 2.65Å; I153-L156 PolarHBondContact O-N 3.41Å; I153-Q157 HydrophobicContact CG2-CG 4.37Å; I153-Q157 WeakPolarHBondContact O-CG 3.31Å; I153-Q157 PolarHBondContact O-N 2.95Å; I153-I165 HydrophobicContact CD1-CD1 4.47Å; I153-I165 HydrophobicContact CG1-CD1 3.93Å; I153-H343 HydrophobicContact CD1-CB 3.9Å
154	P	90	Very high	93.4	Very high	17 Å²	17	16.8 Å²	16.8	11%	0.11	9%	0.087	C	C	.	.	H	α-helix	trans	-56.5	-39.3	172.8	-31.9	37.5	0	0	0	114.9	F106 S150 S151 Q157 R158	F106-P154 HydrophobicContact CD1-CG 3.67Å; F106-P154 HydrophobicContact CE1-CB 4.43Å; F106-P154 HydrophobicContact CE1-CG 3.1Å; F106-P154 HydrophobicContact CZ-CG 3.72Å; S150-P154 WeakPolarHBondContact O-CD 3.11Å; S150-P154 WeakPolarHBondContact O-CG 3.35Å; S151-P154 WeakPolarHBondContact O-CD 3.46Å; P154-Q157 PolarHBondContact O-N 2.87Å; P154-R158 VanDerWaalsContact CB-NH1 3.26Å; P154-R158 WeakPolarHBondContact O-CB 3.21Å; P154-R158 WeakPolarHBondContact O-CG 3.29Å; P154-R158 PolarHBondContact O-N 2.86Å
155	V	92.5	Very high	93.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-60.9	-49.5	176	170.5	0	0	0	0	109.7	M89 S151 L152 I153 Q157 R158 Q159 P207 D210	M89-V155 HydrophobicContact CE-CG2 3.57Å; M89-V155 HydrophobicContact SD-CG2 3.67Å; S151-V155 WeakPolarHBondContact O-CG2 3.4Å; S151-V155 PolarHBondContact O-N 3.49Å; L152-V155 WeakPolarHBondContact O-CA 3.12Å; L152-V155 WeakPolarHBondContact O-CB 3.44Å; L152-V155 PolarHBondContact O-N 3.18Å; I153-V155 VanDerWaalsContact C-N 3.31Å; I153-V155 PolarHBondContact O-N 2.65Å; V155-Q157 VanDerWaalsContact C-N 3.31Å; V155-Q157 PolarHBondContact O-N 3.27Å; V155-R158 PolarHBondContact O-N 3.46Å; V155-Q159 WeakPolarHBondContact O-CB 3.27Å; V155-Q159 VanDerWaalsContact O-CG 3.28Å; V155-Q159 WeakPolarHBondContact O-CG 2.89Å; V155-Q159 PolarHBondContact O-N 2.03Å; V155-P207 HydrophobicContact CG2-CG 4.28Å; V155-D210 HydrophobicContact CB-CB 4.35Å; V155-D210 HydrophobicContact CG1-CB 4.03Å; V155-D210 HydrophobicContact CG2-CB 3.9Å
156	L	95.2	Very high	93.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-61.8	-40.1	179.1	-56.8	171.2	0	0	0	112.1	I134 L152 I153 Q159 H160 L161 Y163 I165 H214	I134-L156 HydrophobicContact CD1-CD1 3.2Å; I134-L156 HydrophobicContact CD1-CD2 3.63Å; I134-L156 HydrophobicContact CD1-CG 4.03Å; L152-L156 HydrophobicContact CD1-CD1 4.4Å; L152-L156 HydrophobicContact CD1-CD2 4.12Å; L152-L156 HydrophobicContact CD1-CG 4.11Å; L152-L156 HydrophobicContact CG-CD1 4.01Å; L152-L156 HydrophobicContact CG-CG 4.19Å; L152-L156 WeakPolarHBondContact O-CG 3.08Å; L152-L156 PolarHBondContact O-N 3.05Å; I153-L156 PolarHBondContact O-N 3.41Å; L156-Q159 PolarHBondContact O-N 3.03Å; L156-H160 PolarHBondContact O-N 3.34Å; L156-L161 HydrophobicContact CD2-CD1 3.89Å; L156-L161 PolarHBondContact O-N 2.98Å; L156-Y163 HydrophobicContact CB-CD1 3.78Å; L156-Y163 HydrophobicContact CB-CE1 3.41Å; L156-Y163 VanDerWaalsContact CB-CE1 3.41Å; L156-Y163 HydrophobicContact CD1-CD1 4.1Å; L156-Y163 HydrophobicContact CD1-CD2 4Å; L156-Y163 HydrophobicContact CD1-CE1 3.94Å; L156-Y163 HydrophobicContact CD1-CE2 3.86Å; L156-Y163 HydrophobicContact CD1-CG 4.12Å; L156-Y163 HydrophobicContact CG-CD1 4.48Å; L156-Y163 HydrophobicContact CG-CE1 4.32Å; L156-I165 HydrophobicContact CD1-CD1 4.25Å; L156-H214 HydrophobicContact CD2-CB 3.49Å; L156-H214 VanDerWaalsContact CD2-CB 3.49Å
157	Q	92.9	Very high	94.1	Very high	4 Å²	4	12.8 Å²	12.8	2%	0.019	7%	0.066	C	C	.	.	H	α-helix	trans	-67	-42.1	177.9	-70.8	-175.2	-16.8	0	0	111.8	L83 Y107 W115 I153 P154 V155 Q159 H160	L83-Q157 HydrophobicContact CD2-CB 3.88Å; Y107-Q157 PolarHBondContact O-NE2 3.4Å; W115-Q157 HydrophobicContact CD2-CG 3.84Å; W115-Q157 HydrophobicContact CE3-CG 3.9Å; W115-Q157 HydrophobicContact CH2-CB 3.79Å; W115-Q157 HydrophobicContact CH2-CG 3.85Å; W115-Q157 HydrophobicContact CZ2-CB 4.07Å; W115-Q157 HydrophobicContact CZ2-CG 3.79Å; W115-Q157 HydrophobicContact CZ3-CB 4.07Å; W115-Q157 HydrophobicContact CZ3-CG 3.92Å; I153-Q157 HydrophobicContact CG2-CG 4.37Å; I153-Q157 WeakPolarHBondContact O-CG 3.31Å; I153-Q157 PolarHBondContact O-N 2.95Å; P154-Q157 PolarHBondContact O-N 2.87Å; V155-Q157 VanDerWaalsContact C-N 3.31Å; V155-Q157 PolarHBondContact O-N 3.27Å; Q157-Q159 PolarHBondContact O-N 2.8Å; Q157-H160 PolarHBondContact O-CD2 3.02Å; Q157-H160 PolarHBondContact O-N 3.33Å
158	R	92	Very high	94.5	Very high	29 Å²	29	12.2 Å²	12.2	11%	0.109	6%	0.063	C	C	.	.	H	α-helix	trans	-66.7	-24.7	174.5	-75.7	-170	-66.9	-82.1	-2.2	113.7	L83 K84 M89 P154 V155 H160 D210	L83-R158 VanDerWaalsContact O-CA 3.22Å; L83-R158 WeakPolarHBondContact O-CA 3.23Å; K84-R158 WeakPolarHBondContact O-CD 3.36Å; M89-R158 PolarHBondContact SD-NH2 2.81Å; P154-R158 VanDerWaalsContact CB-NH1 3.26Å; P154-R158 WeakPolarHBondContact O-CB 3.21Å; P154-R158 WeakPolarHBondContact O-CG 3.29Å; P154-R158 PolarHBondContact O-N 2.86Å; V155-R158 PolarHBondContact O-N 3.46Å; R158-H160 PolarHBondContact O-N 3.24Å; R158-D210 WeakPolarHBondContact CD-OD2 3.27Å; R158-D210 IonicContact CZ-OD2 2.65Å; R158-D210 IonicContact NE-OD2 2.71Å; R158-D210 PolarHBondContact NE-OD2 2.83Å; R158-D210 IonicContact NH2-OD2 3.32Å
159	Q	94.1	Very high	94.7	Very high	42 Å²	42	13.6 Å²	13.6	20%	0.196	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	1	172.8	-71.1	-177.3	-8.8	0	0	113.3	V155 L156 Q157 L161 D210 I212	V155-Q159 WeakPolarHBondContact O-CB 3.27Å; V155-Q159 VanDerWaalsContact O-CG 3.28Å; V155-Q159 WeakPolarHBondContact O-CG 2.89Å; V155-Q159 PolarHBondContact O-N 2.03Å; L156-Q159 PolarHBondContact O-N 3.03Å; Q157-Q159 PolarHBondContact O-N 2.8Å; Q159-L161 HydrophobicContact CB-CD1 3.98Å; Q159-L161 HydrophobicContact CB-CD2 4.12Å; Q159-L161 HydrophobicContact CB-CG 3.61Å; Q159-L161 PolarHBondContact O-N 3.26Å; Q159-L161 VanDerWaalsContact O-N 3.15Å; Q159-D210 PolarHBondContact NE2-O 2.82Å; Q159-I212 PolarHBondContact NE2-O 2.67Å
160	H	94	Very high	95	Very high	82 Å²	82	14.2 Å²	14.2	38%	0.38	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	32.4	-179.5	-63.4	-170.4	0	0	0	112.9	L83 F117 L156 Q157 R158	L83-H160 PolarHBondContact O-NE2 2.9Å; F117-H160 HydrophobicContact CB-CB 3.73Å; F117-H160 HydrophobicContact CD1-CB 4.34Å; F117-H160 AromaticContact CD1-CE1 3.87Å; F117-H160 AromaticContact CD1-CG 3.88Å; F117-H160 AromaticContact CD1-ND1 3.54Å; F117-H160 AromaticContact CD2-CD2 3.82Å; F117-H160 AromaticContact CD2-NE2 3.82Å; F117-H160 AromaticContact CE1-CE1 3.64Å; F117-H160 AromaticContact CE1-ND1 3.73Å; F117-H160 AromaticContact CE2-CE1 3.88Å; F117-H160 AromaticContact CE2-NE2 3.75Å; F117-H160 HydrophobicContact CG-CB 4.07Å; F117-H160 AromaticContact CG-CD2 3.9Å; F117-H160 AromaticContact CG-CG 3.68Å; F117-H160 AromaticContact CG-ND1 3.81Å; F117-H160 AromaticContact CZ-CE1 3.67Å; L156-H160 PolarHBondContact O-N 3.34Å; Q157-H160 PolarHBondContact O-CD2 3.02Å; Q157-H160 PolarHBondContact O-N 3.33Å; R158-H160 PolarHBondContact O-N 3.24Å
161	L	96.1	Very high	95.4	Very high	25 Å²	25	18.5 Å²	18.5	13%	0.131	9%	0.089	C	C	.	.			trans	-78.3	144.6	-175.3	-59.8	-178.7	0	0	0	111.4	W115 M116 V132 L156 Q159 Y163 H214 G215	W115-L161 VanDerWaalsContact CE3-O 3.29Å; W115-L161 WeakPolarHBondContact CZ3-O 3.46Å; M116-L161 WeakPolarHBondContact CA-O 3.34Å; V132-L161 HydrophobicContact CG1-CD1 4.46Å; L156-L161 HydrophobicContact CD2-CD1 3.89Å; L156-L161 PolarHBondContact O-N 2.98Å; Q159-L161 HydrophobicContact CB-CD1 3.98Å; Q159-L161 HydrophobicContact CB-CD2 4.12Å; Q159-L161 HydrophobicContact CB-CG 3.61Å; Q159-L161 PolarHBondContact O-N 3.26Å; Q159-L161 VanDerWaalsContact O-N 3.15Å; L161-Y163 HydrophobicContact CB-CD1 4.14Å; L161-H214 VanDerWaalsContact CD1-C 3.49Å; L161-H214 HydrophobicContact CD1-CB 3.67Å; L161-G215 VanDerWaalsContact CD2-CA 3.46Å
162	C	97.3	Very high	95.7	Very high	19 Å²	19	20.1 Å²	20.1	13%	0.128	11%	0.108	C	C	.	.			trans	-87.9	118.8	157.5	171	0	0	0	0	109.5	C65 W115 M116 G131 V132	C65-C162 WeakPolarHBondContact CA-SG 3.36Å; C65-C162 HydrophobicContact CB-CB 3.68Å; C65-C162 WeakPolarHBondContact CB-SG 3.31Å; C65-C162 WeakPolarHBondContact SG-CB 3.06Å; C65-C162 CovalentContact SG-SG 2.01Å; C65-C162 PolarHBondContact SG-SG 3Å; W115-C162 WeakPolarHBondContact O-CA 3.07Å; M116-C162 HydrophobicContact CB-CB 3.77Å; G131-C162 VanDerWaalsContact CA-O 3.23Å; G131-C162 WeakPolarHBondContact CA-O 3.43Å; V132-C162 PolarHBondContact N-O 3.23Å
163	Y	97.8	Very high	95.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	165.1	-176.5	66.4	-95.3	0	0	0	112.8	S114 W115 V132 I134 L156 L161 I165	S114-Y163 VanDerWaalsContact CA-O 3.3Å; S114-Y163 WeakPolarHBondContact CA-O 3.18Å; W115-Y163 HydrophobicContact CB-CE1 3.98Å; W115-Y163 HydrophobicContact CB-CE2 4.22Å; W115-Y163 HydrophobicContact CD2-CE1 4.23Å; W115-Y163 HydrophobicContact CE3-CD1 4.24Å; W115-Y163 AromaticContact CE3-CE1 3.59Å; W115-Y163 HydrophobicContact CE3-CE1 3.59Å; W115-Y163 HydrophobicContact CG-CE1 4.42Å; W115-Y163 HydrophobicContact CZ3-CE1 4.44Å; W115-Y163 PolarHBondContact N-O 2.85Å; W115-Y163 VanDerWaalsContact N-O 3.08Å; W115-Y163 PolarHBondContact O-N 3.38Å; V132-Y163 WeakPolarHBondContact O-CA 3.44Å; V132-Y163 WeakPolarHBondContact O-CB 3.32Å; I134-Y163 HydrophobicContact CD1-CD2 4.48Å; L156-Y163 HydrophobicContact CB-CD1 3.78Å; L156-Y163 HydrophobicContact CB-CE1 3.41Å; L156-Y163 VanDerWaalsContact CB-CE1 3.41Å; L156-Y163 HydrophobicContact CD1-CD1 4.1Å; L156-Y163 HydrophobicContact CD1-CD2 4Å; L156-Y163 HydrophobicContact CD1-CE1 3.94Å; L156-Y163 HydrophobicContact CD1-CE2 3.86Å; L156-Y163 HydrophobicContact CD1-CG 4.12Å; L156-Y163 HydrophobicContact CG-CD1 4.48Å; L156-Y163 HydrophobicContact CG-CE1 4.32Å; L161-Y163 HydrophobicContact CB-CD1 4.14Å; Y163-I165 HydrophobicContact CD2-CD1 4.29Å; Y163-I165 HydrophobicContact CD2-CG1 3.77Å; Y163-I165 HydrophobicContact CE2-CD1 3.85Å; Y163-I165 HydrophobicContact CE2-CG1 3.81Å
164	R	97.7	Very high	95.5	Very high	4 Å²	4	29 Å²	29	2%	0.015	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	134.2	161.6	-172.9	169	170.1	166.1	-2.7	110.1	Q63 D112 G113 V132 I134 F166 F193 E340 T345	Q63-R164 VanDerWaalsContact CD-NH1 3.35Å; D112-R164 PolarHBondContact O-NE 3.3Å; D112-R164 IonicContact OD2-CZ 2.59Å; D112-R164 IonicContact OD2-NE 3.45Å; D112-R164 IonicContact OD2-NH1 3.85Å; D112-R164 PolarHBondContact OD2-NH1 3.19Å; D112-R164 IonicContact OD2-NH2 3.66Å; G113-R164 WeakPolarHBondContact O-CA 3.35Å; V132-R164 PolarHBondContact O-N 3.46Å; V132-R164 VanDerWaalsContact O-N 3.12Å; I134-R164 PolarHBondContact N-O 2.56Å; R164-F166 HydrophobicContact CB-CE2 3.8Å; R164-F166 HydrophobicContact CB-CZ 4.08Å; R164-F166 HydrophobicContact CG-CD2 4.49Å; R164-F166 HydrophobicContact CG-CE1 4.31Å; R164-F166 HydrophobicContact CG-CE2 3.74Å; R164-F166 HydrophobicContact CG-CZ 3.64Å; R164-F166 WeakPolarHBondContact O-CD2 3.39Å; R164-F193 HydrophobicContact CB-CB 4.47Å; R164-F193 HydrophobicContact CB-CD1 3.79Å; R164-F193 HydrophobicContact CB-CE1 4.13Å; R164-F193 HydrophobicContact CB-CG 4.06Å; R164-E340 IonicContact NH2-OE1 2.81Å; R164-E340 PolarHBondContact NH2-OE1 3.26Å; R164-T345 PolarHBondContact NE-OG1 2.83Å; R164-T345 VanDerWaalsContact NE-OG1 3.12Å; R164-T345 PolarHBondContact NH2-OG1 3.09Å
165	I	98.3	Very high	95.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	134.5	-179.8	-52.2	-177.8	0	0	0	110.2	G113 I134 I136 L149 I153 L156 Y163 H343 Y344 T345	G113-I165 PolarHBondContact O-N 3.3Å; I134-I165 HydrophobicContact CB-CG1 4.27Å; I134-I165 HydrophobicContact CD1-CG1 4.33Å; I134-I165 CarbonylContact O-C 3.44Å; I134-I165 WeakPolarHBondContact O-CA 3.44Å; I136-I165 HydrophobicContact CD1-CG2 4.1Å; L149-I165 HydrophobicContact CD2-CD1 3.91Å; L149-I165 HydrophobicContact CD2-CG2 4.13Å; I153-I165 HydrophobicContact CD1-CD1 4.47Å; I153-I165 HydrophobicContact CG1-CD1 3.93Å; L156-I165 HydrophobicContact CD1-CD1 4.25Å; Y163-I165 HydrophobicContact CD2-CD1 4.29Å; Y163-I165 HydrophobicContact CD2-CG1 3.77Å; Y163-I165 HydrophobicContact CE2-CD1 3.85Å; Y163-I165 HydrophobicContact CE2-CG1 3.81Å; I165-H343 WeakPolarHBondContact CB-O 3.33Å; I165-Y344 CarbonylContact O-C 3.56Å; I165-Y344 VanDerWaalsContact O-CA 3.31Å; I165-Y344 WeakPolarHBondContact O-CA 3.35Å; I165-T345 PolarHBondContact O-N 2.68Å
166	F	98.7	Very high	96	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	122.8	180	-61.9	-88.4	0	0	0	109.7	A133 I134 I135 I136 R164 I168 A189 F193 T345 F347	A133-F166 HydrophobicContact CB-CD2 4.24Å; A133-F166 HydrophobicContact CB-CE2 4.03Å; I134-F166 PolarHBondContact O-N 3.18Å; I135-F166 HydrophobicContact CG1-CB 4.46Å; I136-F166 PolarHBondContact N-O 3.03Å; R164-F166 HydrophobicContact CB-CE2 3.8Å; R164-F166 HydrophobicContact CB-CZ 4.08Å; R164-F166 HydrophobicContact CG-CD2 4.49Å; R164-F166 HydrophobicContact CG-CE1 4.31Å; R164-F166 HydrophobicContact CG-CE2 3.74Å; R164-F166 HydrophobicContact CG-CZ 3.64Å; R164-F166 WeakPolarHBondContact O-CD2 3.39Å; F166-I168 HydrophobicContact CB-CD1 4.34Å; F166-A189 HydrophobicContact CD1-CB 4.12Å; F166-A189 HydrophobicContact CD2-CB 3.7Å; F166-A189 HydrophobicContact CE1-CB 3.97Å; F166-A189 HydrophobicContact CE2-CB 3.51Å; F166-A189 HydrophobicContact CG-CB 4.01Å; F166-A189 HydrophobicContact CZ-CB 3.64Å; F166-F193 HydrophobicContact CZ-CB 4.08Å; F166-T345 WeakPolarHBondContact CA-O 3.43Å; F166-F347 AromaticContact CD1-CE2 3.96Å; F166-F347 HydrophobicContact CD1-CE2 3.96Å
167	V	98.7	Very high	96.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	120.1	176.8	176.6	0	0	0	0	108.9	I136 C138 W142 L145 Y344 T345 Y346 F347	I136-V167 CarbonylContact O-C 3.4Å; I136-V167 WeakPolarHBondContact O-CA 3.33Å; C138-V167 HydrophobicContact CB-CG1 3.71Å; W142-V167 HydrophobicContact CH2-CG1 4.32Å; L145-V167 HydrophobicContact CD1-CG2 4.42Å; L145-V167 HydrophobicContact CD2-CG1 3.8Å; L145-V167 HydrophobicContact CD2-CG2 3.92Å; V167-Y344 HydrophobicContact CB-CD2 3.74Å; V167-Y344 HydrophobicContact CB-CE2 4.16Å; V167-Y344 HydrophobicContact CB-CG 4.33Å; V167-Y344 HydrophobicContact CG2-CD1 4.18Å; V167-Y344 HydrophobicContact CG2-CD2 3.45Å; V167-Y344 VanDerWaalsContact CG2-CD2 3.45Å; V167-Y344 HydrophobicContact CG2-CE2 4.01Å; V167-Y344 HydrophobicContact CG2-CG 3.56Å; V167-T345 PolarHBondContact N-O 3.02Å; V167-Y346 HydrophobicContact CB-CD2 4.45Å; V167-Y346 HydrophobicContact CG1-CD2 4.11Å; V167-Y346 CarbonylContact O-C 3.56Å; V167-Y346 WeakPolarHBondContact O-CA 3.24Å; V167-F347 PolarHBondContact O-N 3.26Å
168	I	98.8	Very high	96.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	116.4	-174.1	-44.8	-59.4	0	0	0	109.4	I135 I136 V137 C138 F166 L181 F347 I349	I135-I168 HydrophobicContact CG2-CG1 4.13Å; I136-I168 PolarHBondContact O-N 3.49Å; V137-I168 VanDerWaalsContact CA-O 3.31Å; V137-I168 WeakPolarHBondContact CA-O 3.47Å; V137-I168 HydrophobicContact CG2-CB 4.47Å; C138-I168 PolarHBondContact N-O 3.11Å; F166-I168 HydrophobicContact CB-CD1 4.34Å; I168-L181 HydrophobicContact CG2-CB 4.02Å; I168-L181 HydrophobicContact CG2-CD2 4.02Å; I168-F347 HydrophobicContact CD1-CB 3.98Å; I168-F347 HydrophobicContact CD1-CD2 3.72Å; I168-F347 HydrophobicContact CD1-CG 4.11Å; I168-I349 HydrophobicContact CG2-CG1 3.66Å
169	E	98.3	Very high	96.6	Very high	29 Å²	29	33 Å²	33	14%	0.136	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.7	179.5	-177.8	165.4	-144.5	0	0	111.2	C138 W142 Y346 F347 L348 I349	C138-E169 WeakPolarHBondContact O-CA 3.49Å; C138-E169 VanDerWaalsContact O-CB 3.24Å; C138-E169 WeakPolarHBondContact O-CB 3.14Å; C138-E169 VanDerWaalsContact O-CG 3.23Å; C138-E169 WeakPolarHBondContact O-CG 3.35Å; W142-E169 VanDerWaalsContact CZ2-OE2 3.31Å; W142-E169 WeakPolarHBondContact CZ2-OE2 3.44Å; W142-E169 PolarHBondContact NE1-OE1 3.37Å; E169-Y346 HydrophobicContact CB-CE2 3.73Å; E169-Y346 VanDerWaalsContact OE2-CE2 3.25Å; E169-Y346 WeakPolarHBondContact OE2-CE2 3.33Å; E169-Y346 VanDerWaalsContact OE2-CZ 3.28Å; E169-Y346 PolarHBondContact OE2-OH 2.98Å; E169-F347 PolarHBondContact N-O 3.08Å; E169-L348 HydrophobicContact CB-CD1 4.36Å; E169-L348 HydrophobicContact CG-CD1 4.14Å; E169-I349 PolarHBondContact O-N 2.94Å
170	Q	98	Very high	96.8	Very high	13 Å²	13	32.2 Å²	32.2	6%	0.061	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	127.5	173.3	-163	177.5	-64.6	0	0	110.2	I175 L176 L181 L351	Q170-I175 PolarHBondContact NE2-O 2.79Å; Q170-L176 HydrophobicContact CB-CD1 4.15Å; Q170-L181 HydrophobicContact CB-CD1 3.75Å; Q170-L181 HydrophobicContact CB-CD2 4.15Å; Q170-L181 HydrophobicContact CG-CD1 4.38Å; Q170-L181 HydrophobicContact CG-CD2 4.43Å; Q170-L351 HydrophobicContact CG-CD1 3.95Å; Q170-L351 HydrophobicContact CG-CG 4.23Å
171	K	97.2	Very high	97.1	Very high	109 Å²	109	28.3 Å²	28.3	47%	0.474	17%	0.17	S	C	.	.			trans	-70.4	139.9	171.2	-172.5	174.6	178.4	-177.6	0	111.1	S336 L348 I349	K171-S336 VanDerWaalsContact CD-OG 3.23Å; K171-S336 WeakPolarHBondContact CD-OG 3.37Å; K171-L348 HydrophobicContact CB-CD1 3.93Å; K171-L348 HydrophobicContact CB-CG 4.05Å; K171-L348 HydrophobicContact CD-CD2 4.4Å; K171-L348 HydrophobicContact CG-CD1 4.44Å; K171-L348 HydrophobicContact CG-CD2 4.37Å; K171-L348 HydrophobicContact CG-CG 4.37Å; K171-I349 WeakPolarHBondContact CB-O 3.41Å; K171-I349 PolarHBondContact N-O 3.3Å
172	G	94.2	Very high	97.2	Very high	50 Å²	50	27.3 Å²	27.3	52%	0.515	17%	0.165	S	C	.	.	S	Bend	trans	88	-179.8	174.4	0	0	0	0	0	113.7	R139	R139-G172 PolarHBondContact NH2-O 3.46Å
173	T	91.3	Very high	97.3	Very high	139 Å²	139	26.4 Å²	26.4	85%	0.853	16%	0.159	S	C	*	.	S	Bend	trans	-104.1	1.6	-170.6	55.4	0	0	0	0	114.2	R139	R139-T173 VanDerWaalsContact NH2-CA 3.31Å; R139-T173 PolarHBondContact NH2-O 3.25Å
174	G	93	Very high	97.3	Very high	48 Å²	48	26.4 Å²	26.4	50%	0.495	16%	0.159	S	C	.	.	S	Bend	trans	-62.9	-178.6	180	0	0	0	0	0	113.8	R139 L176	R139-G174 PolarHBondContact NH1-O 3.04Å; R139-G174 PolarHBondContact NH2-O 2.89Å; G174-L176 PolarHBondContact O-N 3.48Å
175	I	95.3	Very high	97.4	Very high	83 Å²	83	26.2 Å²	26.2	43%	0.426	16%	0.158	S	C	.	.			trans	-64	139.2	178	-60.2	175.5	0	0	0	109.9	Q170 W266 G267	Q170-I175 PolarHBondContact NE2-O 2.79Å; I175-W266 HydrophobicContact CB-CE3 4.41Å; I175-W266 HydrophobicContact CG2-CB 4.15Å; I175-W266 WeakPolarHBondContact O-CZ3 3.43Å; I175-G267 VanDerWaalsContact CG2-CA 3.48Å
176	L	96.9	Very high	97.4	Very high	20 Å²	20	26.2 Å²	26.2	11%	0.105	16%	0.158	C	C	.	.			trans	-68.4	135.2	176.8	-179	69.8	0	0	0	110.4	V137 R139 Q170 G174 K178 L181 G267	V137-L176 HydrophobicContact CG1-CD1 4.27Å; R139-L176 HydrophobicContact CB-CD1 4.15Å; Q170-L176 HydrophobicContact CB-CD1 4.15Å; G174-L176 PolarHBondContact O-N 3.48Å; L176-K178 HydrophobicContact CD2-CB 4.25Å; L176-K178 HydrophobicContact CG-CB 4.42Å; L176-L181 HydrophobicContact CD1-CD1 3.5Å; L176-L181 VanDerWaalsContact CD1-CD1 3.5Å; L176-G267 PolarHBondContact O-N 2.85Å
177	N	97.7	Very high	97.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.16	C	C	.	.			trans	-115.7	83.3	167.5	-170.6	-32.8	0	0	0	109.3	A179 R180 L181 N263 Y265 W266 L351	N177-A179 PolarHBondContact O-N 3.32Å; N177-R180 HydrophobicContact CB-CB 4.12Å; N177-R180 PolarHBondContact O-N 3.08Å; N177-R180 WeakPolarHBondContact OD1-CB 3.29Å; N177-R180 PolarHBondContact OD1-N 3.32Å; N177-L181 WeakPolarHBondContact O-CD1 3.18Å; N177-L181 VanDerWaalsContact O-CG 3.31Å; N177-L181 WeakPolarHBondContact O-CG 3.31Å; N177-L181 PolarHBondContact O-N 2.92Å; N177-N263 PolarHBondContact ND2-O 3.43Å; N177-Y265 PolarHBondContact ND2-O 3.23Å; N177-Y265 PolarHBondContact OD1-O 3.48Å; N177-Y265 VanDerWaalsContact OD1-O 3.08Å; N177-W266 HydrophobicContact CB-CD2 4.12Å; N177-W266 HydrophobicContact CB-CE3 3.71Å; N177-W266 HydrophobicContact CB-CH2 4.22Å; N177-W266 HydrophobicContact CB-CZ3 3.76Å; N177-L351 HydrophobicContact CB-CD1 3.93Å
178	K	97.8	Very high	97.3	Very high	29 Å²	29	26.9 Å²	26.9	13%	0.126	16%	0.161	C	C	.	.	H	α-helix	trans	-60.7	-47	-172.9	-179.4	-175.7	169.8	-166.9	0	111.7	V137 L176 R180 L181 M182 D202 E271	V137-K178 HydrophobicContact CB-CG 4.31Å; V137-K178 HydrophobicContact CG1-CG 4.33Å; V137-K178 HydrophobicContact CG2-CG 4.45Å; L176-K178 HydrophobicContact CD2-CB 4.25Å; L176-K178 HydrophobicContact CG-CB 4.42Å; K178-R180 PolarHBondContact O-N 2.8Å; K178-L181 PolarHBondContact O-N 3.03Å; K178-L181 VanDerWaalsContact O-N 3.15Å; K178-M182 WeakPolarHBondContact O-CG 3.5Å; K178-M182 PolarHBondContact O-N 2.86Å; K178-D202 WeakPolarHBondContact CE-OD1 3.46Å; K178-D202 IonicContact NZ-OD1 3.45Å; K178-D202 PolarHBondContact NZ-OD1 2.87Å; K178-D202 IonicContact NZ-OD2 3.35Å; K178-D202 PolarHBondContact NZ-OD2 2.85Å; K178-E271 IonicContact NZ-OE1 2.68Å
179	A	98.3	Very high	97.3	Very high	2 Å²	2	26.9 Å²	26.9	2%	0.017	16%	0.161	C	C	.	.	H	α-helix	trans	-60.4	-43.8	179.6	0	0	0	0	0	113.2	N177 L181 M182 N183 Y261 S262 E271	N177-A179 PolarHBondContact O-N 3.32Å; A179-L181 VanDerWaalsContact C-N 3.29Å; A179-L181 PolarHBondContact O-N 2.79Å; A179-M182 WeakPolarHBondContact O-CB 3.28Å; A179-M182 PolarHBondContact O-N 2.77Å; A179-N183 PolarHBondContact O-N 2.76Å; A179-Y261 HydrophobicContact CB-CD1 4.27Å; A179-Y261 HydrophobicContact CB-CG 4.13Å; A179-S262 VanDerWaalsContact CB-O 3.28Å; A179-S262 WeakPolarHBondContact CB-O 3.39Å; A179-E271 HydrophobicContact CB-CB 3.71Å; A179-E271 HydrophobicContact CB-CG 3.96Å
180	R	98.1	Very high	97.2	Very high	25 Å²	25	28.5 Å²	28.5	9%	0.094	17%	0.166	C	C	.	.	H	α-helix	trans	-61.6	-38.6	175.2	-168.8	170.8	-177.7	179	3.4	111.6	N177 K178 N183 V184 N263 V331 K332 L351 E352	N177-R180 HydrophobicContact CB-CB 4.12Å; N177-R180 PolarHBondContact O-N 3.08Å; N177-R180 WeakPolarHBondContact OD1-CB 3.29Å; N177-R180 PolarHBondContact OD1-N 3.32Å; K178-R180 PolarHBondContact O-N 2.8Å; R180-N183 WeakPolarHBondContact O-CB 3.36Å; R180-N183 PolarHBondContact O-N 3.3Å; R180-V184 WeakPolarHBondContact O-CG2 3.37Å; R180-V184 PolarHBondContact O-N 2.91Å; R180-N263 HydrophobicContact CB-CB 4.32Å; R180-N263 HydrophobicContact CG-CB 4.05Å; R180-V331 HydrophobicContact CG-CG2 3.65Å; R180-K332 PolarHBondContact NH2-O 3.44Å; R180-L351 HydrophobicContact CG-CD2 3.88Å; R180-E352 VanDerWaalsContact CZ-O 3.32Å; R180-E352 PolarHBondContact NH1-O 3.27Å; R180-E352 VanDerWaalsContact NH1-O 3.1Å; R180-E352 PolarHBondContact NH2-O 3.13Å
181	L	98.7	Very high	97.1	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-70.3	-32.8	176	-62.6	160.7	0	0	0	112.7	V137 I168 Q170 L176 N177 K178 A179 V184 G185 I349 L351	V137-L181 HydrophobicContact CG1-CB 4.23Å; V137-L181 HydrophobicContact CG1-CD1 3.69Å; V137-L181 HydrophobicContact CG2-CB 3.58Å; I168-L181 HydrophobicContact CG2-CB 4.02Å; I168-L181 HydrophobicContact CG2-CD2 4.02Å; Q170-L181 HydrophobicContact CB-CD1 3.75Å; Q170-L181 HydrophobicContact CB-CD2 4.15Å; Q170-L181 HydrophobicContact CG-CD1 4.38Å; Q170-L181 HydrophobicContact CG-CD2 4.43Å; L176-L181 HydrophobicContact CD1-CD1 3.5Å; L176-L181 VanDerWaalsContact CD1-CD1 3.5Å; N177-L181 WeakPolarHBondContact O-CD1 3.18Å; N177-L181 VanDerWaalsContact O-CG 3.31Å; N177-L181 WeakPolarHBondContact O-CG 3.31Å; N177-L181 PolarHBondContact O-N 2.92Å; K178-L181 PolarHBondContact O-N 3.03Å; K178-L181 VanDerWaalsContact O-N 3.15Å; A179-L181 VanDerWaalsContact C-N 3.29Å; A179-L181 PolarHBondContact O-N 2.79Å; L181-V184 PolarHBondContact O-N 2.82Å; L181-G185 PolarHBondContact O-N 3.27Å; L181-I349 HydrophobicContact CD2-CB 3.97Å; L181-I349 HydrophobicContact CD2-CG2 4.05Å; L181-L351 HydrophobicContact CD2-CD2 4.06Å; L181-L351 HydrophobicContact CD2-CG 4.44Å
182	M	98.8	Very high	97	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.02	16%	0.157	C	C	.	.	H	α-helix	trans	-62.6	-42.6	171.6	-69	-58.8	-170.4	0	0	111.3	I135 V137 K178 A179 G185 F186 F200 Y261	I135-M182 HydrophobicContact CG2-SD 3.88Å; V137-M182 HydrophobicContact CB-CE 4.18Å; V137-M182 HydrophobicContact CG2-CE 3.84Å; V137-M182 HydrophobicContact CG2-CG 4.01Å; V137-M182 HydrophobicContact CG2-SD 3.6Å; V137-M182 VanDerWaalsContact CG2-SD 3.6Å; K178-M182 WeakPolarHBondContact O-CG 3.5Å; K178-M182 PolarHBondContact O-N 2.86Å; A179-M182 WeakPolarHBondContact O-CB 3.28Å; A179-M182 PolarHBondContact O-N 2.77Å; M182-G185 PolarHBondContact O-N 3.25Å; M182-F186 PolarHBondContact O-N 3.02Å; M182-F200 HydrophobicContact CB-CD1 3.82Å; M182-F200 HydrophobicContact CB-CE1 3.91Å; M182-F200 HydrophobicContact CE-CB 4.12Å; M182-F200 HydrophobicContact CG-CD1 3.97Å; M182-F200 HydrophobicContact SD-CB 4.03Å; M182-F200 HydrophobicContact SD-CD1 3.46Å; M182-F200 WeakPolarHBondContact SD-CD1 3.37Å; M182-F200 HydrophobicContact SD-CE1 4.35Å; M182-F200 HydrophobicContact SD-CG 4.15Å; M182-Y261 HydrophobicContact CB-CD2 3.71Å; M182-Y261 HydrophobicContact CB-CE2 3.79Å; M182-Y261 HydrophobicContact CG-CD2 4.48Å; M182-Y261 HydrophobicContact CG-CE2 4.22Å
183	N	98.8	Very high	97.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.3	-47.5	171.8	-75.6	-14.8	0	0	0	111.8	A179 R180 G185 F186 I187 F255 Y261 N263 L328	A179-N183 PolarHBondContact O-N 2.76Å; R180-N183 WeakPolarHBondContact O-CB 3.36Å; R180-N183 PolarHBondContact O-N 3.3Å; N183-G185 VanDerWaalsContact C-N 3.34Å; N183-G185 PolarHBondContact O-N 2.91Å; N183-F186 PolarHBondContact O-N 3.04Å; N183-I187 VanDerWaalsContact O-CG1 3.32Å; N183-I187 WeakPolarHBondContact O-CG1 3.33Å; N183-I187 PolarHBondContact O-N 2.83Å; N183-F255 WeakPolarHBondContact OD1-CZ 2.82Å; N183-Y261 PolarHBondContact ND2-O 2.93Å; N183-Y261 PolarHBondContact OD1-N 3.44Å; N183-N263 PolarHBondContact ND2-OD1 2.81Å; N183-L328 HydrophobicContact CB-CD2 3.95Å
184	V	98.7	Very high	97.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.4	-45.2	176.6	173.5	0	0	0	0	111.2	R180 L181 F186 I187 E188 V331 Y333 I349	R180-V184 WeakPolarHBondContact O-CG2 3.37Å; R180-V184 PolarHBondContact O-N 2.91Å; L181-V184 PolarHBondContact O-N 2.82Å; V184-F186 VanDerWaalsContact C-N 3.32Å; V184-F186 PolarHBondContact O-N 3.08Å; V184-I187 PolarHBondContact O-N 3.01Å; V184-E188 HydrophobicContact CG1-CG 4.16Å; V184-E188 PolarHBondContact O-N 3.42Å; V184-V331 HydrophobicContact CG2-CG2 3.77Å; V184-Y333 HydrophobicContact CB-CD2 4.46Å; V184-Y333 HydrophobicContact CB-CG 4.49Å; V184-Y333 HydrophobicContact CG1-CD1 4.45Å; V184-Y333 HydrophobicContact CG1-CD2 3.58Å; V184-Y333 HydrophobicContact CG1-CE1 4.4Å; V184-Y333 HydrophobicContact CG1-CE2 3.53Å; V184-Y333 HydrophobicContact CG1-CG 4.07Å; V184-Y333 HydrophobicContact CG2-CD1 3.57Å; V184-Y333 HydrophobicContact CG2-CD2 4Å; V184-Y333 HydrophobicContact CG2-CE1 3.98Å; V184-Y333 HydrophobicContact CG2-CE2 4.39Å; V184-Y333 HydrophobicContact CG2-CG 3.57Å; V184-I349 HydrophobicContact CG1-CD1 3.66Å; V184-I349 HydrophobicContact CG1-CG1 3.78Å; V184-I349 HydrophobicContact CG1-CG2 4.06Å; V184-I349 HydrophobicContact CG2-CG2 4.33Å
185	G	98.7	Very high	97.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-58.8	-42.8	177.2	0	0	0	0	0	112.6	L181 M182 N183 I187 A189	L181-G185 PolarHBondContact O-N 3.27Å; M182-G185 PolarHBondContact O-N 3.25Å; N183-G185 VanDerWaalsContact C-N 3.34Å; N183-G185 PolarHBondContact O-N 2.91Å; G185-I187 PolarHBondContact O-N 3.25Å; G185-A189 WeakPolarHBondContact O-CB 3.49Å; G185-A189 PolarHBondContact O-N 3.02Å
186	F	98.8	Very high	97.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62	-44	175.7	-177.6	-95.6	0	0	0	111.8	I135 M182 N183 V184 R190 F195 A198 F200 F255 I256 L328	I135-F186 HydrophobicContact CD1-CB 4.04Å; I135-F186 HydrophobicContact CD1-CD2 4.42Å; M182-F186 PolarHBondContact O-N 3.02Å; N183-F186 PolarHBondContact O-N 3.04Å; V184-F186 VanDerWaalsContact C-N 3.32Å; V184-F186 PolarHBondContact O-N 3.08Å; F186-R190 HydrophobicContact CD1-CG 4.45Å; F186-R190 HydrophobicContact CE1-CG 4.2Å; F186-R190 HydrophobicContact CZ-CG 4.35Å; F186-R190 WeakPolarHBondContact O-CB 3.19Å; F186-R190 WeakPolarHBondContact O-CG 3.49Å; F186-R190 PolarHBondContact O-N 3.17Å; F186-F195 AromaticContact CD2-CE2 3.98Å; F186-F195 HydrophobicContact CD2-CE2 3.98Å; F186-F195 HydrophobicContact CD2-CZ 4.11Å; F186-F195 AromaticContact CE2-CE2 3.69Å; F186-F195 HydrophobicContact CE2-CE2 3.69Å; F186-F195 HydrophobicContact CE2-CZ 4.13Å; F186-F195 HydrophobicContact CZ-CE2 4.49Å; F186-A198 HydrophobicContact CD2-CB 4.04Å; F186-A198 HydrophobicContact CE2-CB 4.23Å; F186-F200 HydrophobicContact CB-CE1 4.45Å; F186-F200 HydrophobicContact CB-CZ 4.41Å; F186-F200 HydrophobicContact CD2-CZ 4.3Å; F186-F255 HydrophobicContact CB-CD1 4.25Å; F186-F255 HydrophobicContact CB-CE1 3.66Å; F186-F255 AromaticContact CD1-CD1 3.65Å; F186-F255 HydrophobicContact CD1-CD1 3.65Å; F186-F255 AromaticContact CD1-CE1 3.73Å; F186-F255 HydrophobicContact CD1-CE1 3.73Å; F186-F255 AromaticContact CD2-CD1 3.48Å; F186-F255 HydrophobicContact CD2-CD1 3.48Å; F186-F255 VanDerWaalsContact CD2-CD1 3.48Å; F186-F255 AromaticContact CD2-CE1 3.78Å; F186-F255 HydrophobicContact CD2-CE1 3.78Å; F186-F255 HydrophobicContact CD2-CG 4.37Å; F186-F255 AromaticContact CE1-CD1 3.71Å; F186-F255 HydrophobicContact CE1-CD1 3.71Å; F186-F255 HydrophobicContact CE1-CE1 4.25Å; F186-F255 HydrophobicContact CE2-CB 4.22Å; F186-F255 AromaticContact CE2-CD1 3.55Å; F186-F255 HydrophobicContact CE2-CD1 3.55Å; F186-F255 HydrophobicContact CE2-CE1 4.31Å; F186-F255 HydrophobicContact CE2-CG 4.23Å; F186-F255 AromaticContact CG-CD1 3.52Å; F186-F255 HydrophobicContact CG-CD1 3.52Å; F186-F255 AromaticContact CG-CE1 3.45Å; F186-F255 HydrophobicContact CG-CE1 3.45Å; F186-F255 VanDerWaalsContact CG-CE1 3.45Å; F186-F255 HydrophobicContact CZ-CB 4.33Å; F186-F255 AromaticContact CZ-CD1 3.66Å; F186-F255 HydrophobicContact CZ-CD1 3.66Å; F186-F255 HydrophobicContact CZ-CG 4.46Å; F186-I256 HydrophobicContact CE1-CD1 4.26Å; F186-I256 HydrophobicContact CE1-CG1 3.83Å; F186-I256 HydrophobicContact CZ-CD1 4.22Å; F186-I256 HydrophobicContact CZ-CG1 3.94Å; F186-L328 HydrophobicContact CD1-CD1 4.24Å; F186-L328 HydrophobicContact CD1-CD2 4Å; F186-L328 HydrophobicContact CE1-CD1 4.19Å
187	I	98.6	Very high	97.8	Very high	9 Å²	9	18.2 Å²	18.2	5%	0.046	8%	0.077	C	C	.	.	H	α-helix	trans	-65.1	-50.4	178.6	-64.1	166.4	0	0	0	110.9	I51 N183 V184 G185 A189 R190 K191 L328 V331 Y333	I51-I187 HydrophobicContact CG2-CB 4.4Å; I51-I187 HydrophobicContact CG2-CG1 4.08Å; I51-I187 HydrophobicContact CG2-CG2 4Å; N183-I187 VanDerWaalsContact O-CG1 3.32Å; N183-I187 WeakPolarHBondContact O-CG1 3.33Å; N183-I187 PolarHBondContact O-N 2.83Å; V184-I187 PolarHBondContact O-N 3.01Å; G185-I187 PolarHBondContact O-N 3.25Å; I187-A189 VanDerWaalsContact C-N 3.31Å; I187-A189 PolarHBondContact O-N 3.42Å; I187-R190 PolarHBondContact O-N 3.09Å; I187-K191 WeakPolarHBondContact O-CG 3.35Å; I187-K191 PolarHBondContact O-N 3.01Å; I187-L328 HydrophobicContact CD1-CD2 4.01Å; I187-L328 HydrophobicContact CG1-CD2 3.89Å; I187-V331 HydrophobicContact CD1-CG1 3.4Å; I187-V331 VanDerWaalsContact CD1-CG1 3.4Å; I187-Y333 HydrophobicContact CD1-CE1 4.3Å; I187-Y333 WeakPolarHBondContact CG2-OH 3.25Å
188	E	97.8	Very high	97.9	Very high	5 Å²	5	18.2 Å²	18.2	2%	0.023	8%	0.077	C	C	.	.	H	α-helix	trans	-66.5	-32.9	-179	-71.8	-58.1	127.8	0	0	112.6	V184 K191 R192 Y333 V335 F347	V184-E188 HydrophobicContact CG1-CG 4.16Å; V184-E188 PolarHBondContact O-N 3.42Å; E188-K191 IonicContact OE1-NZ 3.05Å; E188-K191 PolarHBondContact OE1-NZ 3.44Å; E188-R192 PolarHBondContact O-NH1 3.1Å; E188-R192 IonicContact OE2-CZ 2.98Å; E188-R192 IonicContact OE2-NH1 2.67Å; E188-R192 PolarHBondContact OE2-NH1 3.21Å; E188-R192 IonicContact OE2-NH2 3.34Å; E188-R192 PolarHBondContact OE2-NH2 3.46Å; E188-Y333 HydrophobicContact CG-CE2 4.18Å; E188-Y333 PolarHBondContact OE1-OH 3.35Å; E188-V335 HydrophobicContact CG-CG2 4.3Å; E188-F347 HydrophobicContact CB-CD1 4.36Å; E188-F347 HydrophobicContact CB-CE1 3.95Å; E188-F347 HydrophobicContact CB-CE2 4.37Å; E188-F347 HydrophobicContact CB-CZ 3.97Å; E188-F347 HydrophobicContact CG-CD1 4.17Å; E188-F347 HydrophobicContact CG-CE1 4.03Å; E188-F347 WeakPolarHBondContact OE2-CE1 3.42Å
189	A	98	Very high	97.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-64.1	-47.3	171.1	0	0	0	0	0	111	A133 F166 G185 I187 K191 R192 F193 F195	A133-A189 HydrophobicContact CB-CB 4.24Å; F166-A189 HydrophobicContact CD1-CB 4.12Å; F166-A189 HydrophobicContact CD2-CB 3.7Å; F166-A189 HydrophobicContact CE1-CB 3.97Å; F166-A189 HydrophobicContact CE2-CB 3.51Å; F166-A189 HydrophobicContact CG-CB 4.01Å; F166-A189 HydrophobicContact CZ-CB 3.64Å; G185-A189 WeakPolarHBondContact O-CB 3.49Å; G185-A189 PolarHBondContact O-N 3.02Å; I187-A189 VanDerWaalsContact C-N 3.31Å; I187-A189 PolarHBondContact O-N 3.42Å; A189-K191 PolarHBondContact O-N 2.97Å; A189-K191 VanDerWaalsContact O-N 3.16Å; A189-R192 PolarHBondContact O-N 3.24Å; A189-F193 PolarHBondContact O-N 3.38Å; A189-F195 HydrophobicContact CB-CE1 3.56Å; A189-F195 HydrophobicContact CB-CZ 3.86Å
190	R	97	Very high	98	Very high	63 Å²	63	16.9 Å²	16.9	24%	0.238	7%	0.071	C	C	.	.	H	α-helix	trans	-63.5	-21.1	-179.2	-78.9	-174.3	70	91.7	-4.2	114	K62 F186 I187 R192 F195	K62-R190 WeakPolarHBondContact CD-O 3.27Å; K62-R190 WeakPolarHBondContact CE-O 3.42Å; K62-R190 PolarHBondContact NZ-O 3.15Å; F186-R190 HydrophobicContact CD1-CG 4.45Å; F186-R190 HydrophobicContact CE1-CG 4.2Å; F186-R190 HydrophobicContact CZ-CG 4.35Å; F186-R190 WeakPolarHBondContact O-CB 3.19Å; F186-R190 WeakPolarHBondContact O-CG 3.49Å; F186-R190 PolarHBondContact O-N 3.17Å; I187-R190 PolarHBondContact O-N 3.09Å; R190-R192 VanDerWaalsContact C-N 3.31Å; R190-F195 HydrophobicContact CB-CE1 4.42Å; R190-F195 HydrophobicContact CB-CZ 4.47Å; R190-F195 HydrophobicContact CG-CE1 3.78Å; R190-F195 HydrophobicContact CG-CE2 4.28Å; R190-F195 HydrophobicContact CG-CZ 3.47Å; R190-F195 VanDerWaalsContact CG-CZ 3.47Å
191	K	95.8	Very high	98	Very high	44 Å²	44	15.7 Å²	15.7	19%	0.191	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-20.5	173.3	-69	173	-175.4	172.3	0	112.7	I187 E188 A189 Y333	I187-K191 WeakPolarHBondContact O-CG 3.35Å; I187-K191 PolarHBondContact O-N 3.01Å; E188-K191 IonicContact OE1-NZ 3.05Å; E188-K191 PolarHBondContact OE1-NZ 3.44Å; A189-K191 PolarHBondContact O-N 2.97Å; A189-K191 VanDerWaalsContact O-N 3.16Å; K191-Y333 PolarHBondContact NZ-OH 2.98Å
192	R	95.2	Very high	97.9	Very high	38 Å²	38	17 Å²	17	14%	0.143	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121	-31.7	-168.5	-69.2	173.1	-179.7	73.9	-0.5	114.3	Q63 E188 A189 R190 F347	Q63-R192 PolarHBondContact N-O 2.8Å; E188-R192 PolarHBondContact O-NH1 3.1Å; E188-R192 IonicContact OE2-CZ 2.98Å; E188-R192 IonicContact OE2-NH1 2.67Å; E188-R192 PolarHBondContact OE2-NH1 3.21Å; E188-R192 IonicContact OE2-NH2 3.34Å; E188-R192 PolarHBondContact OE2-NH2 3.46Å; A189-R192 PolarHBondContact O-N 3.24Å; R190-R192 VanDerWaalsContact C-N 3.31Å; R192-F347 VanDerWaalsContact CZ-CZ 3.4Å
193	F	96.6	Very high	97.9	Very high	1 Å²	1	17.1 Å²	17.1	0%	0.004	8%	0.075	C	C	.	.	B	Isolated β-bridge	trans	-133.4	136.6	-175.2	-177.8	-130.7	0	0	0	110.7	Q63 I68 V132 R164 F166 A189 F195	Q63-F193 HydrophobicContact CB-CD2 4.2Å; Q63-F193 CarbonylContact O-C 3.55Å; Q63-F193 WeakPolarHBondContact O-CA 3.39Å; Q63-F193 VanDerWaalsContact O-CD2 3.28Å; Q63-F193 WeakPolarHBondContact O-CD2 3.48Å; I68-F193 HydrophobicContact CD1-CD2 4.1Å; I68-F193 HydrophobicContact CD1-CE2 3.5Å; I68-F193 HydrophobicContact CD1-CZ 4.23Å; V132-F193 WeakPolarHBondContact O-CE1 3.42Å; R164-F193 HydrophobicContact CB-CB 4.47Å; R164-F193 HydrophobicContact CB-CD1 3.79Å; R164-F193 HydrophobicContact CB-CE1 4.13Å; R164-F193 HydrophobicContact CB-CG 4.06Å; F166-F193 HydrophobicContact CZ-CB 4.08Å; A189-F193 PolarHBondContact O-N 3.38Å; F193-F195 HydrophobicContact CB-CD1 4.38Å; F193-F195 HydrophobicContact CD1-CB 3.92Å; F193-F195 AromaticContact CD1-CD1 3.85Å; F193-F195 HydrophobicContact CD1-CD1 3.85Å; F193-F195 HydrophobicContact CD1-CG 4.32Å; F193-F195 HydrophobicContact CE1-CB 3.88Å; F193-F195 HydrophobicContact CG-CD1 4.42Å; F193-F195 WeakPolarHBondContact O-CD1 3.22Å
194	Y	97.1	Very high	97.7	Very high	99 Å²	99	18.1 Å²	18.1	39%	0.388	8%	0.08	S	C	.	.			trans	-86.8	110.9	173.2	-175.5	-107.8	0	0	0	109.7	Q63 Q129 S130 G131	Q63-Y194 PolarHBondContact O-N 3.03Å; Q129-Y194 HydrophobicContact CB-CD1 3.95Å; Q129-Y194 HydrophobicContact CB-CE1 3.93Å; S130-Y194 WeakPolarHBondContact CA-O 3.17Å; G131-Y194 PolarHBondContact N-O 2.84Å
195	F	98	Very high	97.6	Very high	5 Å²	5	18.4 Å²	18.4	2%	0.022	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	143.1	-179.5	60.1	-90.5	0	0	0	111.9	G131 A133 F186 A189 R190 F193 C197 A198 S252	G131-F195 VanDerWaalsContact O-CA 3.24Å; G131-F195 WeakPolarHBondContact O-CA 3.31Å; G131-F195 WeakPolarHBondContact O-CB 3.49Å; A133-F195 HydrophobicContact CB-CB 4.26Å; A133-F195 HydrophobicContact CB-CD1 3.54Å; A133-F195 HydrophobicContact CB-CD2 3.71Å; A133-F195 HydrophobicContact CB-CE1 3.64Å; A133-F195 HydrophobicContact CB-CE2 3.8Å; A133-F195 HydrophobicContact CB-CG 3.57Å; A133-F195 HydrophobicContact CB-CZ 3.75Å; F186-F195 AromaticContact CD2-CE2 3.98Å; F186-F195 HydrophobicContact CD2-CE2 3.98Å; F186-F195 HydrophobicContact CD2-CZ 4.11Å; F186-F195 AromaticContact CE2-CE2 3.69Å; F186-F195 HydrophobicContact CE2-CE2 3.69Å; F186-F195 HydrophobicContact CE2-CZ 4.13Å; F186-F195 HydrophobicContact CZ-CE2 4.49Å; A189-F195 HydrophobicContact CB-CE1 3.56Å; A189-F195 HydrophobicContact CB-CZ 3.86Å; R190-F195 HydrophobicContact CB-CE1 4.42Å; R190-F195 HydrophobicContact CB-CZ 4.47Å; R190-F195 HydrophobicContact CG-CE1 3.78Å; R190-F195 HydrophobicContact CG-CE2 4.28Å; R190-F195 HydrophobicContact CG-CZ 3.47Å; R190-F195 VanDerWaalsContact CG-CZ 3.47Å; F193-F195 HydrophobicContact CB-CD1 4.38Å; F193-F195 HydrophobicContact CD1-CB 3.92Å; F193-F195 AromaticContact CD1-CD1 3.85Å; F193-F195 HydrophobicContact CD1-CD1 3.85Å; F193-F195 HydrophobicContact CD1-CG 4.32Å; F193-F195 HydrophobicContact CE1-CB 3.88Å; F193-F195 HydrophobicContact CG-CD1 4.42Å; F193-F195 WeakPolarHBondContact O-CD1 3.22Å; F195-C197 VanDerWaalsContact CD2-O 3.23Å; F195-C197 WeakPolarHBondContact CD2-O 3.41Å; F195-A198 HydrophobicContact CE2-CB 4.08Å; F195-S252 VanDerWaalsContact CD2-OG 3.24Å; F195-S252 WeakPolarHBondContact CD2-OG 3.49Å; F195-S252 WeakPolarHBondContact CE2-OG 3.47Å; F195-S252 PolarHBondContact O-OG 2.88Å
196	N	97.5	Very high	97.5	Very high	58 Å²	58	18.5 Å²	18.5	31%	0.31	8%	0.083	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-15.5	178.4	-79.2	-10.3	0	0	0	112.5	S130 G131 M221 S251 S252	S130-N196 VanDerWaalsContact CB-CG 3.46Å; S130-N196 WeakPolarHBondContact CB-ND2 3.49Å; S130-N196 PolarHBondContact OG-ND2 2.9Å; G131-N196 PolarHBondContact O-N 2.87Å; N196-M221 HydrophobicContact CB-CE 4.47Å; N196-M221 HydrophobicContact CB-SD 4.45Å; N196-S251 CarbonylContact O-C 3.51Å; N196-S251 VanDerWaalsContact O-CA 3.31Å; N196-S251 WeakPolarHBondContact O-CA 3.32Å; N196-S252 PolarHBondContact O-N 3.48Å
197	C	98.2	Very high	97.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	150.9	172.1	71.9	0	0	0	0	111.9	V132 A133 F195 C216 T220 M221 I250	V132-C197 WeakPolarHBondContact CA-O 3.46Å; V132-C197 VanDerWaalsContact CG2-SG 3.54Å; A133-C197 PolarHBondContact N-O 3.46Å; F195-C197 VanDerWaalsContact CD2-O 3.23Å; F195-C197 WeakPolarHBondContact CD2-O 3.41Å; C197-C216 HydrophobicContact CB-CB 3.86Å; C197-C216 WeakPolarHBondContact CB-SG 3.43Å; C197-C216 PolarHBondContact N-SG 3.39Å; C197-C216 WeakPolarHBondContact SG-CA 3.48Å; C197-C216 WeakPolarHBondContact SG-CB 3.5Å; C197-C216 CovalentContact SG-SG 2.03Å; C197-C216 PolarHBondContact SG-SG 3.37Å; C197-T220 HydrophobicContact CB-CG2 3.65Å; C197-M221 HydrophobicContact CB-CE 4.13Å; C197-I250 CarbonylContact C-O 3.59Å; C197-I250 VanDerWaalsContact CA-O 3.27Å; C197-I250 WeakPolarHBondContact CA-O 3.28Å; C197-I250 WeakPolarHBondContact CB-O 3.23Å
198	A	98.8	Very high	97	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	144.2	173.2	0	0	0	0	0	109.6	A133 I135 F186 F195 F200 K249 I250	A133-A198 CarbonylContact O-C 3.56Å; A133-A198 VanDerWaalsContact O-CA 3.27Å; A133-A198 WeakPolarHBondContact O-CA 3.41Å; I135-A198 HydrophobicContact CD1-CB 4.19Å; F186-A198 HydrophobicContact CD2-CB 4.04Å; F186-A198 HydrophobicContact CE2-CB 4.23Å; F195-A198 HydrophobicContact CE2-CB 4.08Å; A198-F200 HydrophobicContact CB-CE2 4.45Å; A198-F200 HydrophobicContact CB-CZ 4.32Å; A198-K249 WeakPolarHBondContact O-CA 3.34Å; A198-I250 PolarHBondContact N-O 3.2Å; A198-I250 PolarHBondContact O-N 2.95Å
199	I	98.9	Very high	96.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	118	167.1	-59.4	-177.5	0	0	0	107.5	V132 A133 I134 I135 H201 H214 L227 V247 L248 K249	V132-I199 HydrophobicContact CG2-CD1 3.94Å; V132-I199 HydrophobicContact CG2-CG1 3.79Å; A133-I199 PolarHBondContact O-N 3.45Å; I134-I199 HydrophobicContact CG1-CB 4.44Å; I135-I199 PolarHBondContact N-O 3.02Å; I199-H201 HydrophobicContact CG2-CB 4.21Å; I199-H214 HydrophobicContact CD1-CB 3.69Å; I199-H214 VanDerWaalsContact CD1-O 3.27Å; I199-H214 WeakPolarHBondContact CD1-O 3.05Å; I199-L227 HydrophobicContact CD1-CD1 4.19Å; I199-L227 HydrophobicContact CG2-CD1 4.41Å; I199-V247 HydrophobicContact CG2-CG1 3.62Å; I199-L248 CarbonylContact C-O 3.59Å; I199-L248 VanDerWaalsContact CA-O 3.31Å; I199-L248 WeakPolarHBondContact CA-O 3.27Å; I199-K249 HydrophobicContact CD1-CB 4.49Å; I199-K249 HydrophobicContact CD1-CD 4.23Å; I199-K249 HydrophobicContact CD1-CG 4.36Å; I199-K249 HydrophobicContact CG1-CB 3.95Å; I199-K249 HydrophobicContact CG1-CD 4.27Å; I199-K249 HydrophobicContact CG1-CG 3.87Å
200	F	98.9	Very high	96.5	Very high	3 Å²	3	19 Å²	19	1%	0.013	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	121.3	167.8	-59.5	-68	0	0	0	107.8	I135 M182 F186 A198 V247 L248 I250 F255 Y261	I135-F200 HydrophobicContact CB-CD1 3.98Å; I135-F200 HydrophobicContact CB-CE1 4.25Å; I135-F200 HydrophobicContact CD1-CD1 4.18Å; I135-F200 HydrophobicContact CD1-CE1 3.62Å; I135-F200 HydrophobicContact CD1-CZ 4.33Å; I135-F200 HydrophobicContact CG2-CD1 4.15Å; I135-F200 HydrophobicContact CG2-CE1 4.32Å; M182-F200 HydrophobicContact CB-CD1 3.82Å; M182-F200 HydrophobicContact CB-CE1 3.91Å; M182-F200 HydrophobicContact CE-CB 4.12Å; M182-F200 HydrophobicContact CG-CD1 3.97Å; M182-F200 HydrophobicContact SD-CB 4.03Å; M182-F200 HydrophobicContact SD-CD1 3.46Å; M182-F200 WeakPolarHBondContact SD-CD1 3.37Å; M182-F200 HydrophobicContact SD-CE1 4.35Å; M182-F200 HydrophobicContact SD-CG 4.15Å; F186-F200 HydrophobicContact CB-CE1 4.45Å; F186-F200 HydrophobicContact CB-CZ 4.41Å; F186-F200 HydrophobicContact CD2-CZ 4.3Å; A198-F200 HydrophobicContact CB-CE2 4.45Å; A198-F200 HydrophobicContact CB-CZ 4.32Å; F200-V247 CarbonylContact O-C 3.51Å; F200-V247 VanDerWaalsContact O-CA 3.29Å; F200-V247 WeakPolarHBondContact O-CA 3.46Å; F200-L248 PolarHBondContact N-O 3.36Å; F200-L248 PolarHBondContact O-N 3.33Å; F200-I250 HydrophobicContact CD2-CG2 4.1Å; F200-I250 HydrophobicContact CE2-CG2 3.62Å; F200-F255 HydrophobicContact CD2-CE2 4.48Å; F200-F255 HydrophobicContact CE1-CZ 4.18Å; F200-F255 AromaticContact CE2-CD2 3.63Å; F200-F255 HydrophobicContact CE2-CD2 3.63Å; F200-F255 HydrophobicContact CE2-CE1 4.39Å; F200-F255 AromaticContact CE2-CE2 3.4Å; F200-F255 HydrophobicContact CE2-CE2 3.4Å; F200-F255 VanDerWaalsContact CE2-CE2 3.4Å; F200-F255 HydrophobicContact CE2-CG 4.22Å; F200-F255 AromaticContact CE2-CZ 3.83Å; F200-F255 HydrophobicContact CE2-CZ 3.83Å; F200-F255 HydrophobicContact CZ-CD1 4.13Å; F200-F255 AromaticContact CZ-CD2 3.9Å; F200-F255 HydrophobicContact CZ-CD2 3.9Å; F200-F255 AromaticContact CZ-CE1 3.68Å; F200-F255 HydrophobicContact CZ-CE1 3.68Å; F200-F255 AromaticContact CZ-CE2 3.44Å; F200-F255 HydrophobicContact CZ-CE2 3.44Å; F200-F255 VanDerWaalsContact CZ-CE2 3.44Å; F200-F255 HydrophobicContact CZ-CG 4.22Å; F200-F255 AromaticContact CZ-CZ 3.31Å; F200-F255 HydrophobicContact CZ-CZ 3.31Å; F200-Y261 HydrophobicContact CD1-CE2 4.17Å; F200-Y261 AromaticContact CD2-CE2 3.69Å; F200-Y261 HydrophobicContact CD2-CE2 3.69Å; F200-Y261 HydrophobicContact CE1-CE2 4.25Å; F200-Y261 AromaticContact CE2-CE2 3.79Å; F200-Y261 HydrophobicContact CE2-CE2 3.79Å; F200-Y261 AromaticContact CG-CE2 3.87Å; F200-Y261 HydrophobicContact CG-CE2 3.87Å; F200-Y261 HydrophobicContact CZ-CE2 4.07Å
201	H	98.7	Very high	96.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	126.5	-167.5	-171.9	-51.2	0	0	0	110.7	I134 I135 I136 I199 L205 V247 Y296	I134-H201 HydrophobicContact CG2-CB 4.48Å; I135-H201 PolarHBondContact O-N 3.25Å; I136-H201 WeakPolarHBondContact CA-O 3.26Å; I136-H201 HydrophobicContact CG1-CB 4.05Å; I199-H201 HydrophobicContact CG2-CB 4.21Å; H201-L205 PolarHBondContact CE1-O 3Å; H201-V247 HydrophobicContact CB-CG1 4.17Å; H201-V247 HydrophobicContact CB-CG2 4.48Å; H201-Y296 AromaticContact NE2-CE1 3.79Å
202	D	97.9	Very high	96.5	Very high	29 Å²	29	20 Å²	20	16%	0.155	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	134.7	175.8	-75.8	6.7	0	0	0	111.4	K178 D204 L205 G246	K178-D202 WeakPolarHBondContact CE-OD1 3.46Å; K178-D202 IonicContact NZ-OD1 3.45Å; K178-D202 PolarHBondContact NZ-OD1 2.87Å; K178-D202 IonicContact NZ-OD2 3.35Å; K178-D202 PolarHBondContact NZ-OD2 2.85Å; D202-D204 PolarHBondContact O-N 2.77Å; D202-D204 VanDerWaalsContact O-N 3.12Å; D202-L205 HydrophobicContact CB-CD1 3.92Å; D202-L205 HydrophobicContact CB-CG 3.96Å; D202-L205 PolarHBondContact O-N 2.8Å; D202-G246 VanDerWaalsContact CG-O 3.24Å; D202-G246 PolarHBondContact N-O 3.28Å
203	A	97.4	Very high	96.5	Very high	5 Å²	5	19.9 Å²	19.9	4%	0.041	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.3	-172.4	0	0	0	0	0	113.9	I136 R141 Q144 L145 T148	I136-A203 HydrophobicContact CG2-CB 3.74Å; R141-A203 HydrophobicContact CB-CB 4.1Å; Q144-A203 CarbonylContact C-O 3.52Å; Q144-A203 VanDerWaalsContact C-O 3.27Å; L145-A203 WeakPolarHBondContact CA-O 3.44Å; L145-A203 HydrophobicContact CB-CB 4.34Å; L145-A203 HydrophobicContact CD1-CB 4.42Å; L145-A203 PolarHBondContact N-O 3.49Å; T148-A203 WeakPolarHBondContact CB-O 3.17Å; T148-A203 PolarHBondContact OG1-O 2.86Å
204	D	95.9	Very high	96.6	Very high	21 Å²	21	19.9 Å²	19.9	11%	0.112	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	0.2	-174.9	65.6	-57.8	0	0	0	115.3	Q144 D202 Q299 H301	Q144-D204 HydrophobicContact CB-CB 4.05Å; Q144-D204 HydrophobicContact CG-CB 4.12Å; D202-D204 PolarHBondContact O-N 2.77Å; D202-D204 VanDerWaalsContact O-N 3.12Å; D204-Q299 HydrophobicContact CB-CB 4.34Å; D204-Q299 WeakPolarHBondContact O-CB 3.28Å; D204-Q299 WeakPolarHBondContact O-CG 3.25Å; D204-Q299 PolarHBondContact O-N 3.2Å; D204-Q299 PolarHBondContact O-NE2 3.32Å; D204-H301 IonicContact OD2-CD2 2.68Å; D204-H301 IonicContact OD2-NE2 3.8Å; D204-H301 PolarHBondContact OD2-NE2 2.98Å
205	L	96.7	Very high	96.6	Very high	7 Å²	7	15.8 Å²	15.8	4%	0.037	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	116.2	-179.9	-64.6	-175.6	0	0	0	111.6	T148 H201 D202 V231 V247 Y296 A298	T148-L205 VanDerWaalsContact CG2-O 3.27Å; T148-L205 WeakPolarHBondContact CG2-O 3.31Å; T148-L205 PolarHBondContact OG1-O 2.8Å; H201-L205 PolarHBondContact CE1-O 3Å; D202-L205 HydrophobicContact CB-CD1 3.92Å; D202-L205 HydrophobicContact CB-CG 3.96Å; D202-L205 PolarHBondContact O-N 2.8Å; L205-V231 HydrophobicContact CD2-CG1 3.75Å; L205-V231 HydrophobicContact CD2-CG2 4.38Å; L205-V247 HydrophobicContact CB-CG2 4.32Å; L205-V247 HydrophobicContact CD1-CG2 3.83Å; L205-Y296 HydrophobicContact CB-CD1 3.74Å; L205-Y296 HydrophobicContact CB-CG 4.32Å; L205-A298 HydrophobicContact CD2-CB 3.81Å
206	I	94.9	Very high	96.5	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.01	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	123.3	173.8	-71.7	161.8	0	0	0	109.2	N147 L208 Y296 L297 Q299	N147-I206 HydrophobicContact CB-CD1 4.02Å; I206-L208 HydrophobicContact CG2-CD2 4.43Å; I206-Y296 CarbonylContact O-C 3.55Å; I206-Y296 WeakPolarHBondContact O-CA 3.43Å; I206-L297 HydrophobicContact CB-CB 4.27Å; I206-L297 HydrophobicContact CD1-CD2 4.25Å; I206-L297 PolarHBondContact N-O 3.05Å; I206-L297 PolarHBondContact O-N 2.68Å; I206-Q299 VanDerWaalsContact CD1-CD 3.44Å; I206-Q299 HydrophobicContact CD1-CG 3.62Å; I206-Q299 HydrophobicContact CG1-CG 4.26Å
207	P	94.8	Very high	96.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	140.7	172.7	26.3	-33.1	0	0	0	109.8	M89 S151 L152 V155 I212 Y296	M89-P207 VanDerWaalsContact CE-C 3.47Å; M89-P207 HydrophobicContact CE-CB 4.3Å; M89-P207 HydrophobicContact CE-CG 4.38Å; M89-P207 WeakPolarHBondContact CE-O 3.05Å; S151-P207 PolarHBondContact OG-O 3.04Å; L152-P207 HydrophobicContact CB-CG 4.34Å; L152-P207 HydrophobicContact CD1-CG 4.21Å; V155-P207 HydrophobicContact CG2-CG 4.28Å; P207-I212 HydrophobicContact CB-CD1 3.95Å; P207-Y296 HydrophobicContact CB-CD1 4.19Å; P207-Y296 HydrophobicContact CB-CE1 3.76Å; P207-Y296 HydrophobicContact CG-CE1 4.44Å
208	L	93.4	Very high	96	Very high	16 Å²	16	25.1 Å²	25.1	8%	0.084	13%	0.128	C	C	.	.	S	Bend	trans	-109.1	-1.7	179.1	-62.3	179.9	0	0	0	113.6	M89 F91 I206 Y236 R295 L297	M89-L208 PolarHBondContact N-O 3.04Å; F91-L208 HydrophobicContact CB-CD2 4.01Å; F91-L208 HydrophobicContact CD1-CD2 3.84Å; F91-L208 HydrophobicContact CG-CD2 3.9Å; I206-L208 HydrophobicContact CG2-CD2 4.43Å; L208-Y236 HydrophobicContact CD1-CE1 3.75Å; L208-Y236 WeakPolarHBondContact CD1-OH 2.92Å; L208-R295 HydrophobicContact CB-CB 4.28Å; L208-R295 WeakPolarHBondContact CB-O 2.88Å; L208-R295 HydrophobicContact CD1-CB 4.4Å; L208-R295 PolarHBondContact N-O 3.35Å; L208-L297 HydrophobicContact CD1-CB 4.22Å; L208-L297 HydrophobicContact CD2-CB 3.97Å; L208-L297 HydrophobicContact CG-CB 4.28Å
209	D	92.5	Very high	95.9	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.021	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-144.5	130.1	-177.3	-157.5	-60	0	0	0	109.4	K88 R211 I212 I293	K88-D209 WeakPolarHBondContact CA-OD2 3.03Å; D209-R211 PolarHBondContact O-N 2.87Å; D209-R211 WeakPolarHBondContact OD1-CB 3.44Å; D209-R211 WeakPolarHBondContact OD1-CG 3.25Å; D209-R211 IonicContact OD1-CZ 2.68Å; D209-R211 PolarHBondContact OD1-N 2.91Å; D209-R211 IonicContact OD1-NE 3.43Å; D209-R211 PolarHBondContact OD1-NE 2.71Å; D209-R211 IonicContact OD1-NH2 3.86Å; D209-R211 IonicContact OD2-CZ 3.63Å; D209-R211 IonicContact OD2-NE 3.44Å; D209-R211 PolarHBondContact OD2-NE 2.77Å; D209-R211 IonicContact OD2-NH2 3.81Å; D209-R211 PolarHBondContact OD2-NH2 3.02Å; D209-I212 HydrophobicContact CB-CD1 4.33Å; D209-I212 HydrophobicContact CB-CG1 4.24Å; D209-I212 VanDerWaalsContact O-CD1 3.28Å; D209-I212 WeakPolarHBondContact O-CD1 3.28Å; D209-I212 VanDerWaalsContact O-CG1 3.25Å; D209-I212 WeakPolarHBondContact O-CG1 3.44Å; D209-I212 PolarHBondContact O-N 3.32Å; D209-I293 WeakPolarHBondContact CB-O 3.24Å
210	D	91.6	Very high	95.8	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.016	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	2.9	179.9	75.6	4.9	0	0	0	113.6	M86 G87 V155 R158 Q159 I212	M86-D210 WeakPolarHBondContact CB-OD2 3.47Å; M86-D210 PolarHBondContact N-OD1 2.73Å; M86-D210 PolarHBondContact N-OD2 3Å; G87-D210 WeakPolarHBondContact CA-OD1 3.45Å; G87-D210 PolarHBondContact N-OD1 3.3Å; G87-D210 PolarHBondContact O-N 3.23Å; G87-D210 VanDerWaalsContact O-OD1 3.13Å; V155-D210 HydrophobicContact CB-CB 4.35Å; V155-D210 HydrophobicContact CG1-CB 4.03Å; V155-D210 HydrophobicContact CG2-CB 3.9Å; R158-D210 WeakPolarHBondContact CD-OD2 3.27Å; R158-D210 IonicContact CZ-OD2 2.65Å; R158-D210 IonicContact NE-OD2 2.71Å; R158-D210 PolarHBondContact NE-OD2 2.83Å; R158-D210 IonicContact NH2-OD2 3.32Å; Q159-D210 PolarHBondContact NE2-O 2.82Å; D210-I212 VanDerWaalsContact C-N 3.31Å
211	R	95.1	Very high	95.7	Very high	129 Å²	129	32.4 Å²	32.4	49%	0.487	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-5.1	168.5	-60.4	168.7	-65.5	170.9	1.8	112.8	D209 P213 I293	D209-R211 PolarHBondContact O-N 2.87Å; D209-R211 WeakPolarHBondContact OD1-CB 3.44Å; D209-R211 WeakPolarHBondContact OD1-CG 3.25Å; D209-R211 IonicContact OD1-CZ 2.68Å; D209-R211 PolarHBondContact OD1-N 2.91Å; D209-R211 IonicContact OD1-NE 3.43Å; D209-R211 PolarHBondContact OD1-NE 2.71Å; D209-R211 IonicContact OD1-NH2 3.86Å; D209-R211 IonicContact OD2-CZ 3.63Å; D209-R211 IonicContact OD2-NE 3.44Å; D209-R211 PolarHBondContact OD2-NE 2.77Å; D209-R211 IonicContact OD2-NH2 3.81Å; D209-R211 PolarHBondContact OD2-NH2 3.02Å; R211-P213 WeakPolarHBondContact O-CD 3.16Å; R211-I293 HydrophobicContact CB-CG2 3.87Å
212	I	97.6	Very high	95.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-63.2	115.1	173.7	-63.8	168.9	0	0	0	108.5	Q159 P207 D209 D210 H214 L227 I289 I293 Y296	Q159-I212 PolarHBondContact NE2-O 2.67Å; P207-I212 HydrophobicContact CB-CD1 3.95Å; D209-I212 HydrophobicContact CB-CD1 4.33Å; D209-I212 HydrophobicContact CB-CG1 4.24Å; D209-I212 VanDerWaalsContact O-CD1 3.28Å; D209-I212 WeakPolarHBondContact O-CD1 3.28Å; D209-I212 VanDerWaalsContact O-CG1 3.25Å; D209-I212 WeakPolarHBondContact O-CG1 3.44Å; D209-I212 PolarHBondContact O-N 3.32Å; D210-I212 VanDerWaalsContact C-N 3.31Å; I212-H214 VanDerWaalsContact CG2-CE1 3.49Å; I212-H214 WeakPolarHBondContact CG2-CE1 3.32Å; I212-H214 PolarHBondContact O-CE1 3.17Å; I212-H214 PolarHBondContact O-N 3.1Å; I212-H214 PolarHBondContact O-ND1 2.66Å; I212-L227 HydrophobicContact CG2-CB 3.97Å; I212-L227 HydrophobicContact CG2-CD1 4.19Å; I212-L227 HydrophobicContact CG2-CD2 4.06Å; I212-L227 HydrophobicContact CG2-CG 4.3Å; I212-I289 HydrophobicContact CG1-CD1 4.4Å; I212-I289 HydrophobicContact CG2-CD1 4.02Å; I212-I293 HydrophobicContact CG1-CG2 3.95Å; I212-I293 WeakPolarHBondContact CG1-O 3.4Å; I212-Y296 HydrophobicContact CD1-CD2 4.27Å; I212-Y296 HydrophobicContact CD1-CE2 3.66Å; I212-Y296 HydrophobicContact CG2-CE2 4.38Å
213	P	97	Very high	95.6	Very high	35 Å²	35	38 Å²	38	23%	0.227	19%	0.188	C	C	.	.			trans	-78.4	97.7	-165.8	30.8	-35.9	0	0	0	112.3	R211 L227 K249 I289	R211-P213 WeakPolarHBondContact O-CD 3.16Å; P213-L227 HydrophobicContact CG-CD2 4.07Å; P213-K249 VanDerWaalsContact O-CE 3.24Å; P213-K249 WeakPolarHBondContact O-CE 3.46Å; P213-K249 PolarHBondContact O-NZ 3.49Å; P213-I289 HydrophobicContact CG-CG2 4.25Å
214	H	97.9	Very high	95.6	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	19%	0.186	C	C	.	.			trans	-88.1	-4.3	179.2	-62.5	83	0	0	0	113.7	L156 L161 I199 I212 Y296	L156-H214 HydrophobicContact CD2-CB 3.49Å; L156-H214 VanDerWaalsContact CD2-CB 3.49Å; L161-H214 VanDerWaalsContact CD1-C 3.49Å; L161-H214 HydrophobicContact CD1-CB 3.67Å; I199-H214 HydrophobicContact CD1-CB 3.69Å; I199-H214 VanDerWaalsContact CD1-O 3.27Å; I199-H214 WeakPolarHBondContact CD1-O 3.05Å; I212-H214 VanDerWaalsContact CG2-CE1 3.49Å; I212-H214 WeakPolarHBondContact CG2-CE1 3.32Å; I212-H214 PolarHBondContact O-CE1 3.17Å; I212-H214 PolarHBondContact O-N 3.1Å; I212-H214 PolarHBondContact O-ND1 2.66Å; H214-Y296 PolarHBondContact NE2-OH 3.15Å
215	G	96.4	Very high	95.8	Very high	13 Å²	13	36.8 Å²	36.8	13%	0.134	18%	0.181	C	C	.	.	S	Bend	trans	-79	162.3	178.6	0	0	0	0	0	113.9	L161 D217 K249	L161-G215 VanDerWaalsContact CD2-CA 3.46Å; G215-D217 VanDerWaalsContact C-N 3.27Å; G215-D217 PolarHBondContact O-N 3.02Å; G215-K249 WeakPolarHBondContact O-CD 3.35Å; G215-K249 PolarHBondContact O-NZ 3.39Å
216	C	95.6	Very high	95.9	Very high	46 Å²	46	36.5 Å²	36.5	31%	0.311	18%	0.18	S	C	.	.			trans	-78.7	76.5	168.4	-52.4	0	0	0	0	110.1	G131 C197 M221	G131-C216 PolarHBondContact O-SG 2.8Å; C197-C216 HydrophobicContact CB-CB 3.86Å; C197-C216 WeakPolarHBondContact CB-SG 3.43Å; C197-C216 PolarHBondContact N-SG 3.39Å; C197-C216 WeakPolarHBondContact SG-CA 3.48Å; C197-C216 WeakPolarHBondContact SG-CB 3.5Å; C197-C216 CovalentContact SG-SG 2.03Å; C197-C216 PolarHBondContact SG-SG 3.37Å; C216-M221 HydrophobicContact CB-CE 4.3Å
217	D	92.9	Very high	96	Very high	49 Å²	49	36.4 Å²	36.4	26%	0.262	18%	0.179	S	C	.	.			trans	-77.8	168.3	175.5	50.1	36.7	0	0	0	112.2	G215 E219 T220 M221 K249	G215-D217 VanDerWaalsContact C-N 3.27Å; G215-D217 PolarHBondContact O-N 3.02Å; D217-E219 PolarHBondContact O-N 3.45Å; D217-T220 WeakPolarHBondContact O-CB 3.38Å; D217-T220 PolarHBondContact O-N 3.18Å; D217-T220 VanDerWaalsContact O-N 3.09Å; D217-T220 WeakPolarHBondContact OD1-CB 3.43Å; D217-T220 PolarHBondContact OD1-N 2.92Å; D217-T220 PolarHBondContact OD1-OG1 3.48Å; D217-M221 PolarHBondContact O-N 2.93Å; D217-K249 VanDerWaalsContact CG-NZ 3.33Å; D217-K249 IonicContact OD1-NZ 3.78Å; D217-K249 PolarHBondContact OD1-NZ 3.24Å; D217-K249 IonicContact OD2-NZ 3.88Å; D217-K249 PolarHBondContact OD2-NZ 2.96Å
218	E	94	Very high	96.2	Very high	165 Å²	165	36.6 Å²	36.6	77%	0.771	18%	0.18	S	C	*	.	H	α-helix	trans	-55.4	-39	176.1	-66.2	-179.9	170.8	0	0	111.2	T220 M221 E222	E218-T220 VanDerWaalsContact C-N 3.29Å; E218-T220 PolarHBondContact O-N 2.81Å; E218-M221 WeakPolarHBondContact O-CB 3.34Å; E218-M221 PolarHBondContact O-N 2.8Å; E218-E222 PolarHBondContact O-N 3.41Å
219	E	95.5	Very high	96.4	Very high	72 Å²	72	36.3 Å²	36.3	34%	0.336	18%	0.18	S	C	.	.	H	α-helix	trans	-60.3	-36.6	177.6	-178.8	162.9	-128.8	0	0	112.7	D217 M221 E222 S223 V225 K287	D217-E219 PolarHBondContact O-N 3.45Å; E219-M221 VanDerWaalsContact C-N 3.29Å; E219-M221 PolarHBondContact O-N 3.39Å; E219-E222 PolarHBondContact O-N 2.85Å; E219-S223 PolarHBondContact O-N 3.37Å; E219-S223 VanDerWaalsContact O-O 3.06Å; E219-S223 PolarHBondContact O-OG 3.06Å; E219-V225 HydrophobicContact CG-CG2 4.05Å; E219-K287 HydrophobicContact CG-CD 4.37Å; E219-K287 WeakPolarHBondContact OE1-CD 3.38Å; E219-K287 IonicContact OE1-NZ 3.41Å; E219-K287 PolarHBondContact OE1-NZ 3.47Å
220	T	97.2	Very high	96.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-67.6	-29.3	175.4	-54.5	0	0	0	0	112.4	C197 D217 E218 E222 S223 K249 S251 Q254	C197-T220 HydrophobicContact CB-CG2 3.65Å; D217-T220 WeakPolarHBondContact O-CB 3.38Å; D217-T220 PolarHBondContact O-N 3.18Å; D217-T220 VanDerWaalsContact O-N 3.09Å; D217-T220 WeakPolarHBondContact OD1-CB 3.43Å; D217-T220 PolarHBondContact OD1-N 2.92Å; D217-T220 PolarHBondContact OD1-OG1 3.48Å; E218-T220 VanDerWaalsContact C-N 3.29Å; E218-T220 PolarHBondContact O-N 2.81Å; T220-E222 VanDerWaalsContact C-N 3.35Å; T220-S223 CarbonylContact C-O 3.48Å; T220-S223 WeakPolarHBondContact CA-O 3.47Å; T220-K249 HydrophobicContact CG2-CD 4.15Å; T220-K249 HydrophobicContact CG2-CG 3.78Å; T220-K249 WeakPolarHBondContact OG1-CD 3.34Å; T220-K249 WeakPolarHBondContact OG1-CE 3.45Å; T220-K249 PolarHBondContact OG1-NZ 3.42Å; T220-S251 WeakPolarHBondContact O-CB 3.48Å; T220-Q254 PolarHBondContact O-OE1 2.84Å
221	M	96.6	Very high	96.8	Very high	83 Å²	83	36.3 Å²	36.3	41%	0.409	18%	0.179	S	C	.	.	H	α-helix	trans	-75.6	-29.4	177.2	-61.6	-58.7	100.2	0	0	111.3	N196 C197 C216 D217 E218 E219	N196-M221 HydrophobicContact CB-CE 4.47Å; N196-M221 HydrophobicContact CB-SD 4.45Å; C197-M221 HydrophobicContact CB-CE 4.13Å; C216-M221 HydrophobicContact CB-CE 4.3Å; D217-M221 PolarHBondContact O-N 2.93Å; E218-M221 WeakPolarHBondContact O-CB 3.34Å; E218-M221 PolarHBondContact O-N 2.8Å; E219-M221 VanDerWaalsContact C-N 3.29Å; E219-M221 PolarHBondContact O-N 3.39Å
222	E	96.2	Very high	96.7	Very high	145 Å²	145	31.6 Å²	31.6	68%	0.678	17%	0.166	S	C	*	.	H	α-helix	trans	-88.1	-35.4	178.4	-65.2	-177.7	171.4	0	0	113.3	E218 E219 T220 Q254	E218-E222 PolarHBondContact O-N 3.41Å; E219-E222 PolarHBondContact O-N 2.85Å; T220-E222 VanDerWaalsContact C-N 3.35Å; E222-Q254 VanDerWaalsContact C-NE2 3.31Å; E222-Q254 PolarHBondContact O-NE2 2.73Å
223	S	97.8	Very high	96.5	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.014	19%	0.193	C	C	.	.	S	Bend	trans	-146.5	155.1	-170.9	60	0	0	0	0	112.8	E219 T220 V285	E219-S223 PolarHBondContact O-N 3.37Å; E219-S223 VanDerWaalsContact O-O 3.06Å; E219-S223 PolarHBondContact O-OG 3.06Å; T220-S223 CarbonylContact C-O 3.48Å; T220-S223 WeakPolarHBondContact CA-O 3.47Å; S223-V285 CarbonylContact C-O 3.56Å; S223-V285 VanDerWaalsContact CA-O 3.29Å; S223-V285 WeakPolarHBondContact CA-O 3.21Å; S223-V285 WeakPolarHBondContact CB-O 3.41Å
224	V	98.6	Very high	96.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	137.6	169.9	-179	0	0	0	0	109.3	L248 K249 I250 L279 I284 V285 Y286 K287	V224-L248 HydrophobicContact CG1-CD1 3.44Å; V224-L248 VanDerWaalsContact CG1-CD1 3.44Å; V224-L248 HydrophobicContact CG1-CD2 3.97Å; V224-L248 HydrophobicContact CG1-CG 3.73Å; V224-K249 WeakPolarHBondContact CG1-O 3.15Å; V224-I250 HydrophobicContact CG1-CB 4.19Å; V224-I250 HydrophobicContact CG1-CD1 4.41Å; V224-I250 HydrophobicContact CG1-CG1 4.49Å; V224-I250 HydrophobicContact CG2-CB 4.31Å; V224-I250 HydrophobicContact CG2-CD1 3.58Å; V224-I250 HydrophobicContact CG2-CG1 3.75Å; V224-L279 HydrophobicContact CB-CD1 4.22Å; V224-L279 HydrophobicContact CG1-CD1 4.22Å; V224-L279 HydrophobicContact CG2-CD1 3.95Å; V224-L279 HydrophobicContact CG2-CD2 3.58Å; V224-L279 HydrophobicContact CG2-CG 4.44Å; V224-I284 HydrophobicContact CG2-CG2 3.82Å; V224-V285 PolarHBondContact N-O 2.75Å; V224-Y286 CarbonylContact O-C 3.27Å; V224-Y286 WeakPolarHBondContact O-CA 3.44Å; V224-K287 PolarHBondContact O-N 3.26Å
225	V	98.6	Very high	96.2	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	111.6	-173.9	-173.1	0	0	0	0	110.2	E219 L227 K249 I289	E219-V225 HydrophobicContact CG-CG2 4.05Å; V225-L227 HydrophobicContact CG1-CD2 3.82Å; V225-L227 PolarHBondContact O-N 2.8Å; V225-K249 HydrophobicContact CB-CB 4.3Å; V225-K249 PolarHBondContact N-O 3.27Å; V225-K249 PolarHBondContact O-N 3.44Å; V225-I289 HydrophobicContact CG1-CG2 3.39Å
226	H	98.7	Very high	96.1	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	114.2	172.7	177.9	-150.3	0	0	0	109.3	S228 V229 L243 I244 G245 V247 L248 K287 H288 I289	H226-S228 PolarHBondContact CE1-O 2.49Å; H226-S228 PolarHBondContact NE2-O 3.16Å; H226-S228 PolarHBondContact NE2-OG 3.39Å; H226-V229 WeakPolarHBondContact O-CG2 3.35Å; H226-L243 PolarHBondContact CE1-O 2.68Å; H226-L243 PolarHBondContact ND1-O 3.45Å; H226-I244 HydrophobicContact CB-CG2 4.37Å; H226-G245 PolarHBondContact NE2-O 3.23Å; H226-V247 PolarHBondContact CD2-O 3.44Å; H226-L248 HydrophobicContact CB-CD1 4.07Å; H226-K287 PolarHBondContact N-O 2.88Å; H226-H288 WeakPolarHBondContact CB-ND1 3.35Å; H226-H288 AromaticContact CG-ND1 3.62Å; H226-H288 AromaticContact ND1-CE1 3.54Å; H226-H288 AromaticContact ND1-ND1 3.06Å; H226-H288 PolarHBondContact ND1-ND1 3.41Å; H226-I289 PolarHBondContact O-N 2.76Å
227	L	98.7	Very high	96.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.251	C	S	.	.			trans	-88.7	-37.6	-174.5	-59.6	-178.5	0	0	0	112.3	I199 I212 P213 V225 V229 V247 K249 I289 G294 Y296	I199-L227 HydrophobicContact CD1-CD1 4.19Å; I199-L227 HydrophobicContact CG2-CD1 4.41Å; I212-L227 HydrophobicContact CG2-CB 3.97Å; I212-L227 HydrophobicContact CG2-CD1 4.19Å; I212-L227 HydrophobicContact CG2-CD2 4.06Å; I212-L227 HydrophobicContact CG2-CG 4.3Å; P213-L227 HydrophobicContact CG-CD2 4.07Å; V225-L227 HydrophobicContact CG1-CD2 3.82Å; V225-L227 PolarHBondContact O-N 2.8Å; L227-V229 VanDerWaalsContact C-N 3.29Å; L227-V229 PolarHBondContact O-N 2.92Å; L227-V229 VanDerWaalsContact O-N 3.08Å; L227-V247 HydrophobicContact CB-CB 4.16Å; L227-V247 HydrophobicContact CB-CG1 4.02Å; L227-V247 WeakPolarHBondContact CB-O 3.06Å; L227-V247 HydrophobicContact CD1-CG1 3.94Å; L227-V247 HydrophobicContact CG-CG1 4.44Å; L227-V247 PolarHBondContact N-O 3.36Å; L227-K249 HydrophobicContact CD1-CB 4.09Å; L227-K249 HydrophobicContact CG-CB 4.25Å; L227-I289 HydrophobicContact CB-CD1 4.42Å; L227-I289 HydrophobicContact CD2-CD1 4.07Å; L227-I289 HydrophobicContact CD2-CG2 4.15Å; L227-I289 WeakPolarHBondContact O-CD1 3.47Å; L227-G294 VanDerWaalsContact O-CA 3.26Å; L227-G294 WeakPolarHBondContact O-CA 3.39Å; L227-Y296 HydrophobicContact CB-CE2 4.39Å; L227-Y296 WeakPolarHBondContact O-CE2 3.19Å
228	S	98.2	Very high	96.4	Very high	4 Å²	4	50.5 Å²	50.5	3%	0.028	25%	0.249	C	C	.	.			trans	-87.1	55.8	-176.6	55	0	0	0	0	114.1	H226 G245 G246 V247	H226-S228 PolarHBondContact CE1-O 2.49Å; H226-S228 PolarHBondContact NE2-O 3.16Å; H226-S228 PolarHBondContact NE2-OG 3.39Å; S228-G245 PolarHBondContact OG-O 2.94Å; S228-G245 VanDerWaalsContact OG-O 3.06Å; S228-G246 WeakPolarHBondContact OG-CA 3.31Å; S228-V247 PolarHBondContact N-O 2.73Å; S228-V247 PolarHBondContact OG-N 3.2Å
229	V	97.8	Very high	96.4	Very high	11 Å²	11	45.6 Å²	45.6	7%	0.067	23%	0.231	C	C	.	.			trans	-68.6	-37.2	-175.5	-179.7	0	0	0	0	112.5	H226 L227 L238 H288 I289 K291 G294	H226-V229 WeakPolarHBondContact O-CG2 3.35Å; L227-V229 VanDerWaalsContact C-N 3.29Å; L227-V229 PolarHBondContact O-N 2.92Å; L227-V229 VanDerWaalsContact O-N 3.08Å; V229-L238 HydrophobicContact CG1-CB 4.4Å; V229-H288 HydrophobicContact CG1-CB 4.29Å; V229-H288 HydrophobicContact CG2-CB 3.71Å; V229-I289 HydrophobicContact CG2-CG1 3.94Å; V229-I289 WeakPolarHBondContact CG2-O 3.49Å; V229-K291 HydrophobicContact CG1-CB 4.21Å; V229-G294 PolarHBondContact N-O 3.36Å
230	G	96.1	Very high	96.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	105.1	177	0	0	0	0	0	111.2	Y236 G294 R295 Y296	G230-Y236 WeakPolarHBondContact O-CD1 3.33Å; G230-G294 PolarHBondContact N-O 2.84Å; G230-R295 CarbonylContact O-C 3.52Å; G230-R295 VanDerWaalsContact O-CA 3.23Å; G230-R295 WeakPolarHBondContact O-CA 3.3Å; G230-Y296 PolarHBondContact O-N 2.9Å
231	V	96.1	Very high	96.5	Very high	6 Å²	6	55.5 Å²	55.5	4%	0.036	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	141.2	174.1	-177.6	0	0	0	0	110.2	L205 T233 W234 Y236 Y296 A298	L205-V231 HydrophobicContact CD2-CG1 3.75Å; L205-V231 HydrophobicContact CD2-CG2 4.38Å; V231-T233 VanDerWaalsContact C-N 3.29Å; V231-T233 PolarHBondContact O-N 2.68Å; V231-W234 HydrophobicContact CB-CE3 3.62Å; V231-W234 HydrophobicContact CB-CZ3 3.74Å; V231-W234 HydrophobicContact CG1-CE3 4.14Å; V231-W234 HydrophobicContact CG1-CZ3 3.98Å; V231-W234 HydrophobicContact CG2-CE3 4.19Å; V231-W234 HydrophobicContact CG2-CZ3 3.97Å; V231-W234 CarbonylContact O-C 3.59Å; V231-W234 PolarHBondContact O-N 3.13Å; V231-W234 VanDerWaalsContact O-N 3.08Å; V231-Y236 WeakPolarHBondContact O-CA 3.35Å; V231-Y236 PolarHBondContact O-N 3.02Å; V231-Y296 WeakPolarHBondContact CA-O 3.27Å; V231-A298 HydrophobicContact CG1-CB 3.51Å
232	S	94.3	Very high	96.6	Very high	30 Å²	30	53.3 Å²	53.3	21%	0.21	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-55	-37.6	-174.6	59.6	0	0	0	0	114.5	W234 N235 Y296 A298	S232-W234 PolarHBondContact O-N 3.05Å; S232-N235 PolarHBondContact O-N 3.43Å; S232-Y296 PolarHBondContact N-O 3.04Å; S232-A298 PolarHBondContact OG-N 2.87Å
233	T	93.4	Very high	96.7	Very high	91 Å²	91	47.2 Å²	47.2	56%	0.558	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-64.6	-22.4	179.4	45.2	0	0	0	0	113.8	V231 A298	V231-T233 VanDerWaalsContact C-N 3.29Å; V231-T233 PolarHBondContact O-N 2.68Å; T233-A298 HydrophobicContact CG2-CB 3.76Å
234	W	93.7	Very high	96.7	Very high	124 Å²	124	47.2 Å²	47.2	47%	0.47	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-107.1	26.4	172.7	-58.7	-67.6	0	0	0	111.9	V231 S232 Y236 I237 P239	V231-W234 HydrophobicContact CB-CE3 3.62Å; V231-W234 HydrophobicContact CB-CZ3 3.74Å; V231-W234 HydrophobicContact CG1-CE3 4.14Å; V231-W234 HydrophobicContact CG1-CZ3 3.98Å; V231-W234 HydrophobicContact CG2-CE3 4.19Å; V231-W234 HydrophobicContact CG2-CZ3 3.97Å; V231-W234 CarbonylContact O-C 3.59Å; V231-W234 PolarHBondContact O-N 3.13Å; V231-W234 VanDerWaalsContact O-N 3.08Å; S232-W234 PolarHBondContact O-N 3.05Å; W234-Y236 PolarHBondContact O-N 3.43Å; W234-Y236 VanDerWaalsContact O-N 3.13Å; W234-I237 WeakPolarHBondContact CB-O 3.33Å; W234-I237 WeakPolarHBondContact O-CB 3.33Å; W234-I237 PolarHBondContact O-N 3.39Å; W234-P239 HydrophobicContact CB-CG 4.21Å; W234-P239 HydrophobicContact CD2-CG 3.7Å; W234-P239 HydrophobicContact CE3-CG 4.16Å; W234-P239 HydrophobicContact CG-CG 3.65Å
235	N	94.3	Very high	96.6	Very high	124 Å²	124	47.9 Å²	47.9	66%	0.663	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	36.2	-178.3	-161.1	23.9	0	0	0	112.9	S232 I237	S232-N235 PolarHBondContact O-N 3.43Å; N235-I237 PolarHBondContact O-N 2.93Å
236	Y	95	Very high	96.6	Very high	50 Å²	50	48.6 Å²	48.6	20%	0.196	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	25	-177	-52.3	-85.1	0	0	0	114.7	L208 G230 V231 W234 R295 Y296	L208-Y236 HydrophobicContact CD1-CE1 3.75Å; L208-Y236 WeakPolarHBondContact CD1-OH 2.92Å; G230-Y236 WeakPolarHBondContact O-CD1 3.33Å; V231-Y236 WeakPolarHBondContact O-CA 3.35Å; V231-Y236 PolarHBondContact O-N 3.02Å; W234-Y236 PolarHBondContact O-N 3.43Å; W234-Y236 VanDerWaalsContact O-N 3.13Å; Y236-R295 HydrophobicContact CD1-CB 3.89Å; Y236-R295 HydrophobicContact CD1-CG 3.86Å; Y236-R295 HydrophobicContact CE1-CB 4.04Å; Y236-R295 HydrophobicContact CE1-CG 4.44Å; Y236-R295 VanDerWaalsContact CZ-NH2 3.26Å; Y236-Y296 WeakPolarHBondContact CE1-O 3.41Å
237	I	95.9	Very high	96.6	Very high	112 Å²	112	48.6 Å²	48.6	57%	0.574	25%	0.251	S	S	*	.			trans	-108.4	130	174.5	-60.1	172.6	0	0	0	108.7	W234 N235 P239	W234-I237 WeakPolarHBondContact CB-O 3.33Å; W234-I237 WeakPolarHBondContact O-CB 3.33Å; W234-I237 PolarHBondContact O-N 3.39Å; N235-I237 PolarHBondContact O-N 2.93Å; I237-P239 VanDerWaalsContact O-CD 3.25Å; I237-P239 WeakPolarHBondContact O-CD 3.15Å
238	L	96.9	Very high	96.6	Very high	41 Å²	41	48.7 Å²	48.7	22%	0.215	25%	0.251	C	S	.	.			trans	-65.5	118.7	173.8	-171.1	70.7	0	0	0	109.7	V229 Y240 L243	V229-L238 HydrophobicContact CG1-CB 4.4Å; L238-Y240 VanDerWaalsContact C-N 3.33Å; L238-Y240 WeakPolarHBondContact CD2-O 3.45Å; L238-Y240 WeakPolarHBondContact CG-O 3.42Å; L238-Y240 PolarHBondContact O-N 3.28Å; L238-L243 HydrophobicContact CD1-CB 4.04Å; L238-L243 HydrophobicContact CD1-CD2 3.92Å; L238-L243 HydrophobicContact CD1-CG 4.26Å
239	P	95.7	Very high	96.6	Very high	62 Å²	62	48.5 Å²	48.5	40%	0.403	25%	0.25	S	C	.	.	S	Bend	trans	-58.7	-37	-175.9	-29.1	36.4	0	0	0	114.9	W234 I237 L243	W234-P239 HydrophobicContact CB-CG 4.21Å; W234-P239 HydrophobicContact CD2-CG 3.7Å; W234-P239 HydrophobicContact CE3-CG 4.16Å; W234-P239 HydrophobicContact CG-CG 3.65Å; I237-P239 VanDerWaalsContact O-CD 3.25Å; I237-P239 WeakPolarHBondContact O-CD 3.15Å; P239-L243 HydrophobicContact CB-CD2 4.49Å; P239-L243 HydrophobicContact CG-CD2 4.01Å
240	Y	97.1	Very high	96.7	Very high	92 Å²	92	48 Å²	48	36%	0.361	25%	0.247	S	C	.	.	S	Bend	trans	-157.3	153.2	177.1	54.9	-90.2	0	0	0	111.3	L238 S242 L243 D273	L238-Y240 VanDerWaalsContact C-N 3.33Å; L238-Y240 WeakPolarHBondContact CD2-O 3.45Å; L238-Y240 WeakPolarHBondContact CG-O 3.42Å; L238-Y240 PolarHBondContact O-N 3.28Å; Y240-S242 VanDerWaalsContact C-N 3.28Å; Y240-S242 VanDerWaalsContact CD2-OG 3.28Å; Y240-S242 WeakPolarHBondContact CD2-OG 3.36Å; Y240-S242 PolarHBondContact O-N 3.04Å; Y240-L243 HydrophobicContact CD1-CB 4.39Å; Y240-L243 HydrophobicContact CD2-CB 3.8Å; Y240-L243 HydrophobicContact CE1-CB 4.14Å; Y240-L243 HydrophobicContact CE1-CD1 4.18Å; Y240-L243 HydrophobicContact CE2-CB 3.55Å; Y240-L243 HydrophobicContact CE2-CD1 4.23Å; Y240-L243 HydrophobicContact CE2-CG 4.47Å; Y240-L243 HydrophobicContact CG-CB 4.23Å; Y240-L243 WeakPolarHBondContact O-CB 3.4Å; Y240-L243 PolarHBondContact O-N 3.46Å; Y240-L243 VanDerWaalsContact O-N 3.12Å; Y240-L243 WeakPolarHBondContact OH-CD1 3.25Å; Y240-D273 WeakPolarHBondContact CE2-OD1 3.43Å; Y240-D273 PolarHBondContact OH-OD1 3.33Å; Y240-D273 PolarHBondContact OH-OD2 3.47Å
241	K	97.2	Very high	96.8	Very high	187 Å²	187	48.1 Å²	48.1	81%	0.813	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-18.4	-169.6	-66.2	-175.8	179.4	-178.6	0	115.7	H288	K241-H288 PolarHBondContact O-NE2 2.81Å
242	S	97.8	Very high	96.9	Very high	37 Å²	37	48.2 Å²	48.2	26%	0.259	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	0.7	176.9	54.2	0	0	0	0	113.1	Y240 I244 E276	Y240-S242 VanDerWaalsContact C-N 3.28Å; Y240-S242 VanDerWaalsContact CD2-OG 3.28Å; Y240-S242 WeakPolarHBondContact CD2-OG 3.36Å; Y240-S242 PolarHBondContact O-N 3.04Å; S242-I244 PolarHBondContact O-N 2.98Å; S242-E276 WeakPolarHBondContact CB-OE1 3.35Å
243	L	98.1	Very high	97.1	Very high	18 Å²	18	50.2 Å²	50.2	9%	0.094	27%	0.267	C	S	.	.			trans	-70.3	121.8	-179.6	-179.6	65.2	0	0	0	110.5	H226 L238 P239 Y240 D272 H288	H226-L243 PolarHBondContact CE1-O 2.68Å; H226-L243 PolarHBondContact ND1-O 3.45Å; L238-L243 HydrophobicContact CD1-CB 4.04Å; L238-L243 HydrophobicContact CD1-CD2 3.92Å; L238-L243 HydrophobicContact CD1-CG 4.26Å; P239-L243 HydrophobicContact CB-CD2 4.49Å; P239-L243 HydrophobicContact CG-CD2 4.01Å; Y240-L243 HydrophobicContact CD1-CB 4.39Å; Y240-L243 HydrophobicContact CD2-CB 3.8Å; Y240-L243 HydrophobicContact CE1-CB 4.14Å; Y240-L243 HydrophobicContact CE1-CD1 4.18Å; Y240-L243 HydrophobicContact CE2-CB 3.55Å; Y240-L243 HydrophobicContact CE2-CD1 4.23Å; Y240-L243 HydrophobicContact CE2-CG 4.47Å; Y240-L243 HydrophobicContact CG-CB 4.23Å; Y240-L243 WeakPolarHBondContact O-CB 3.4Å; Y240-L243 PolarHBondContact O-N 3.46Å; Y240-L243 VanDerWaalsContact O-N 3.12Å; Y240-L243 WeakPolarHBondContact OH-CD1 3.25Å; L243-D272 VanDerWaalsContact CD1-OD2 3.25Å; L243-D272 WeakPolarHBondContact CD1-OD2 3.41Å; L243-H288 PolarHBondContact O-CE1 3.2Å
244	I	98.4	Very high	97.3	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	24%	0.243	C	C	.	.			trans	-128	11.3	175.9	63.4	169.7	0	0	0	113	H226 S242 L248 D272 L275 E276 L279 Y286	H226-I244 HydrophobicContact CB-CG2 4.37Å; S242-I244 PolarHBondContact O-N 2.98Å; I244-L248 HydrophobicContact CB-CD1 3.92Å; I244-L248 HydrophobicContact CD1-CD2 4.06Å; I244-L248 HydrophobicContact CG1-CD2 4.5Å; I244-D272 HydrophobicContact CG1-CB 4.5Å; I244-L275 HydrophobicContact CD1-CB 4.48Å; I244-L275 HydrophobicContact CD1-CD2 4.39Å; I244-L275 HydrophobicContact CD1-CG 4.3Å; I244-E276 HydrophobicContact CD1-CB 3.71Å; I244-E276 HydrophobicContact CD1-CG 4.33Å; I244-E276 HydrophobicContact CG1-CB 4.1Å; I244-L279 HydrophobicContact CD1-CD1 3.84Å; I244-Y286 HydrophobicContact CG2-CD2 3.6Å; I244-Y286 HydrophobicContact CG2-CE2 3.93Å; I244-Y286 HydrophobicContact CG2-CG 4.1Å
245	G	97.5	Very high	97.6	Very high	15 Å²	15	40.5 Å²	40.5	16%	0.155	22%	0.22	C	C	.	.			trans	-74.3	175.3	174.3	0	0	0	0	0	113.9	H226 S228 V247 D272	H226-G245 PolarHBondContact NE2-O 3.23Å; S228-G245 PolarHBondContact OG-O 2.94Å; S228-G245 VanDerWaalsContact OG-O 3.06Å; G245-V247 PolarHBondContact O-N 2.94Å; G245-D272 WeakPolarHBondContact CA-OD2 3.31Å; G245-D272 PolarHBondContact N-OD2 3.11Å
246	G	98	Very high	97.8	Very high	15 Å²	15	34.9 Å²	34.9	16%	0.155	19%	0.19	C	C	.	.	S	Bend	trans	90	-89.7	-176.1	0	0	0	0	0	112.2	D202 S228	D202-G246 VanDerWaalsContact CG-O 3.24Å; D202-G246 PolarHBondContact N-O 3.28Å; S228-G246 WeakPolarHBondContact OG-CA 3.31Å
247	V	98.7	Very high	97.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	110.1	179.4	-169	0	0	0	0	110.3	I199 F200 H201 L205 H226 L227 S228 G245 Y296	I199-V247 HydrophobicContact CG2-CG1 3.62Å; F200-V247 CarbonylContact O-C 3.51Å; F200-V247 VanDerWaalsContact O-CA 3.29Å; F200-V247 WeakPolarHBondContact O-CA 3.46Å; H201-V247 HydrophobicContact CB-CG1 4.17Å; H201-V247 HydrophobicContact CB-CG2 4.48Å; L205-V247 HydrophobicContact CB-CG2 4.32Å; L205-V247 HydrophobicContact CD1-CG2 3.83Å; H226-V247 PolarHBondContact CD2-O 3.44Å; L227-V247 HydrophobicContact CB-CB 4.16Å; L227-V247 HydrophobicContact CB-CG1 4.02Å; L227-V247 WeakPolarHBondContact CB-O 3.06Å; L227-V247 HydrophobicContact CD1-CG1 3.94Å; L227-V247 HydrophobicContact CG-CG1 4.44Å; L227-V247 PolarHBondContact N-O 3.36Å; S228-V247 PolarHBondContact N-O 2.73Å; S228-V247 PolarHBondContact OG-N 3.2Å; G245-V247 PolarHBondContact O-N 2.94Å; V247-Y296 HydrophobicContact CB-CE1 4.48Å; V247-Y296 HydrophobicContact CG2-CD1 4.26Å; V247-Y296 HydrophobicContact CG2-CE1 3.73Å
248	L	98.8	Very high	98	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.016	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.3	-176.2	-170.2	67.5	0	0	0	110.6	I199 F200 V224 H226 I244 L275	I199-L248 CarbonylContact C-O 3.59Å; I199-L248 VanDerWaalsContact CA-O 3.31Å; I199-L248 WeakPolarHBondContact CA-O 3.27Å; F200-L248 PolarHBondContact N-O 3.36Å; F200-L248 PolarHBondContact O-N 3.33Å; V224-L248 HydrophobicContact CG1-CD1 3.44Å; V224-L248 VanDerWaalsContact CG1-CD1 3.44Å; V224-L248 HydrophobicContact CG1-CD2 3.97Å; V224-L248 HydrophobicContact CG1-CG 3.73Å; H226-L248 HydrophobicContact CB-CD1 4.07Å; I244-L248 HydrophobicContact CB-CD1 3.92Å; I244-L248 HydrophobicContact CD1-CD2 4.06Å; I244-L248 HydrophobicContact CG1-CD2 4.5Å; L248-L275 HydrophobicContact CD2-CD2 3.55Å
249	K	98.7	Very high	98.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	128.4	174.6	-179.7	175.8	64.9	162.6	0	110	A198 I199 P213 G215 D217 T220 V224 V225 L227	A198-K249 WeakPolarHBondContact O-CA 3.34Å; I199-K249 HydrophobicContact CD1-CB 4.49Å; I199-K249 HydrophobicContact CD1-CD 4.23Å; I199-K249 HydrophobicContact CD1-CG 4.36Å; I199-K249 HydrophobicContact CG1-CB 3.95Å; I199-K249 HydrophobicContact CG1-CD 4.27Å; I199-K249 HydrophobicContact CG1-CG 3.87Å; P213-K249 VanDerWaalsContact O-CE 3.24Å; P213-K249 WeakPolarHBondContact O-CE 3.46Å; P213-K249 PolarHBondContact O-NZ 3.49Å; G215-K249 WeakPolarHBondContact O-CD 3.35Å; G215-K249 PolarHBondContact O-NZ 3.39Å; D217-K249 VanDerWaalsContact CG-NZ 3.33Å; D217-K249 IonicContact OD1-NZ 3.78Å; D217-K249 PolarHBondContact OD1-NZ 3.24Å; D217-K249 IonicContact OD2-NZ 3.88Å; D217-K249 PolarHBondContact OD2-NZ 2.96Å; T220-K249 HydrophobicContact CG2-CD 4.15Å; T220-K249 HydrophobicContact CG2-CG 3.78Å; T220-K249 WeakPolarHBondContact OG1-CD 3.34Å; T220-K249 WeakPolarHBondContact OG1-CE 3.45Å; T220-K249 PolarHBondContact OG1-NZ 3.42Å; V224-K249 WeakPolarHBondContact CG1-O 3.15Å; V225-K249 HydrophobicContact CB-CB 4.3Å; V225-K249 PolarHBondContact N-O 3.27Å; V225-K249 PolarHBondContact O-N 3.44Å; L227-K249 HydrophobicContact CD1-CB 4.09Å; L227-K249 HydrophobicContact CG-CB 4.25Å
250	I	98.8	Very high	98.2	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	143.6	-175.7	-176.6	159.1	0	0	0	110.8	C197 A198 F200 V224 Q254 F255 L279	C197-I250 CarbonylContact C-O 3.59Å; C197-I250 VanDerWaalsContact CA-O 3.27Å; C197-I250 WeakPolarHBondContact CA-O 3.28Å; C197-I250 WeakPolarHBondContact CB-O 3.23Å; A198-I250 PolarHBondContact N-O 3.2Å; A198-I250 PolarHBondContact O-N 2.95Å; F200-I250 HydrophobicContact CD2-CG2 4.1Å; F200-I250 HydrophobicContact CE2-CG2 3.62Å; V224-I250 HydrophobicContact CG1-CB 4.19Å; V224-I250 HydrophobicContact CG1-CD1 4.41Å; V224-I250 HydrophobicContact CG1-CG1 4.49Å; V224-I250 HydrophobicContact CG2-CB 4.31Å; V224-I250 HydrophobicContact CG2-CD1 3.58Å; V224-I250 HydrophobicContact CG2-CG1 3.75Å; I250-Q254 HydrophobicContact CD1-CB 3.97Å; I250-Q254 HydrophobicContact CG1-CB 3.75Å; I250-F255 HydrophobicContact CD1-CB 3.97Å; I250-F255 HydrophobicContact CD1-CD2 4.16Å; I250-F255 HydrophobicContact CG1-CB 4.09Å; I250-F255 HydrophobicContact CG2-CB 4.11Å; I250-F255 HydrophobicContact CG2-CD2 4.19Å; I250-F255 HydrophobicContact CG2-CG 4.41Å; I250-L279 HydrophobicContact CD1-CD2 4.11Å
251	S	98.7	Very high	98.3	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.021	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	148	171.3	70.2	0	0	0	0	111.2	N196 T220 A253 Q254 F255	N196-S251 CarbonylContact O-C 3.51Å; N196-S251 VanDerWaalsContact O-CA 3.31Å; N196-S251 WeakPolarHBondContact O-CA 3.32Å; T220-S251 WeakPolarHBondContact O-CB 3.48Å; S251-A253 PolarHBondContact O-N 2.99Å; S251-Q254 VanDerWaalsContact N-OE1 3.15Å; S251-Q254 PolarHBondContact O-N 2.84Å; S251-Q254 VanDerWaalsContact OG-CB 3.28Å; S251-Q254 WeakPolarHBondContact OG-CB 3.22Å; S251-Q254 WeakPolarHBondContact OG-CG 3.36Å; S251-Q254 PolarHBondContact OG-N 2.8Å; S251-Q254 PolarHBondContact OG-OE1 3.41Å; S251-F255 PolarHBondContact O-N 2.88Å
252	S	98.5	Very high	98.4	Very high	7 Å²	7	14.4 Å²	14.4	5%	0.049	9%	0.093	C	C	.	.	H	α-helix	trans	-54.1	-37.2	172.5	-73.2	0	0	0	0	111.7	F195 N196 I256	F195-S252 VanDerWaalsContact CD2-OG 3.24Å; F195-S252 WeakPolarHBondContact CD2-OG 3.49Å; F195-S252 WeakPolarHBondContact CE2-OG 3.47Å; F195-S252 PolarHBondContact O-OG 2.88Å; N196-S252 PolarHBondContact O-N 3.48Å; S252-I256 WeakPolarHBondContact O-CB 3.23Å; S252-I256 VanDerWaalsContact O-CD1 3.31Å; S252-I256 WeakPolarHBondContact O-CD1 3.5Å; S252-I256 WeakPolarHBondContact O-CG1 3.24Å; S252-I256 PolarHBondContact O-N 2.52Å; S252-I256 VanDerWaalsContact O-N 3.1Å
253	A	98.1	Very high	98.4	Very high	72 Å²	72	13.2 Å²	13.2	60%	0.595	8%	0.084	S	C	*	.	H	α-helix	trans	-67.2	-49	179.2	0	0	0	0	0	112.1	S251 F255 I256 Q257	S251-A253 PolarHBondContact O-N 2.99Å; A253-F255 PolarHBondContact O-N 3.39Å; A253-I256 PolarHBondContact O-N 2.72Å; A253-Q257 WeakPolarHBondContact O-CB 3.34Å; A253-Q257 PolarHBondContact O-N 3.42Å
254	Q	98.3	Very high	98.4	Very high	11 Å²	11	14.3 Å²	14.3	5%	0.051	9%	0.093	C	C	.	.	H	α-helix	trans	-62.8	-42.4	177.5	-72.5	159.8	-24.9	0	0	111.6	T220 E222 I250 S251 I256 Q257 V258 I284	T220-Q254 PolarHBondContact O-OE1 2.84Å; E222-Q254 VanDerWaalsContact C-NE2 3.31Å; E222-Q254 PolarHBondContact O-NE2 2.73Å; I250-Q254 HydrophobicContact CD1-CB 3.97Å; I250-Q254 HydrophobicContact CG1-CB 3.75Å; S251-Q254 VanDerWaalsContact N-OE1 3.15Å; S251-Q254 PolarHBondContact O-N 2.84Å; S251-Q254 VanDerWaalsContact OG-CB 3.28Å; S251-Q254 WeakPolarHBondContact OG-CB 3.22Å; S251-Q254 WeakPolarHBondContact OG-CG 3.36Å; S251-Q254 PolarHBondContact OG-N 2.8Å; S251-Q254 PolarHBondContact OG-OE1 3.41Å; Q254-I256 VanDerWaalsContact C-N 3.33Å; Q254-I256 PolarHBondContact O-N 2.77Å; Q254-Q257 WeakPolarHBondContact O-CB 3.31Å; Q254-Q257 PolarHBondContact O-N 3.47Å; Q254-V258 PolarHBondContact O-N 3.34Å; Q254-V258 VanDerWaalsContact O-N 3.08Å; Q254-I284 HydrophobicContact CB-CD1 4.03Å; Q254-I284 HydrophobicContact CB-CG2 4.39Å; Q254-I284 HydrophobicContact CG-CD1 4.16Å; Q254-I284 HydrophobicContact CG-CG2 3.92Å
255	F	98.7	Very high	98.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64	-39.5	179.3	-169.5	-110.5	0	0	0	112	N183 F186 F200 I250 S251 A253 V258 N259 G260 Y261 L328	N183-F255 WeakPolarHBondContact OD1-CZ 2.82Å; F186-F255 HydrophobicContact CB-CD1 4.25Å; F186-F255 HydrophobicContact CB-CE1 3.66Å; F186-F255 AromaticContact CD1-CD1 3.65Å; F186-F255 HydrophobicContact CD1-CD1 3.65Å; F186-F255 AromaticContact CD1-CE1 3.73Å; F186-F255 HydrophobicContact CD1-CE1 3.73Å; F186-F255 AromaticContact CD2-CD1 3.48Å; F186-F255 HydrophobicContact CD2-CD1 3.48Å; F186-F255 VanDerWaalsContact CD2-CD1 3.48Å; F186-F255 AromaticContact CD2-CE1 3.78Å; F186-F255 HydrophobicContact CD2-CE1 3.78Å; F186-F255 HydrophobicContact CD2-CG 4.37Å; F186-F255 AromaticContact CE1-CD1 3.71Å; F186-F255 HydrophobicContact CE1-CD1 3.71Å; F186-F255 HydrophobicContact CE1-CE1 4.25Å; F186-F255 HydrophobicContact CE2-CB 4.22Å; F186-F255 AromaticContact CE2-CD1 3.55Å; F186-F255 HydrophobicContact CE2-CD1 3.55Å; F186-F255 HydrophobicContact CE2-CE1 4.31Å; F186-F255 HydrophobicContact CE2-CG 4.23Å; F186-F255 AromaticContact CG-CD1 3.52Å; F186-F255 HydrophobicContact CG-CD1 3.52Å; F186-F255 AromaticContact CG-CE1 3.45Å; F186-F255 HydrophobicContact CG-CE1 3.45Å; F186-F255 VanDerWaalsContact CG-CE1 3.45Å; F186-F255 HydrophobicContact CZ-CB 4.33Å; F186-F255 AromaticContact CZ-CD1 3.66Å; F186-F255 HydrophobicContact CZ-CD1 3.66Å; F186-F255 HydrophobicContact CZ-CG 4.46Å; F200-F255 HydrophobicContact CD2-CE2 4.48Å; F200-F255 HydrophobicContact CE1-CZ 4.18Å; F200-F255 AromaticContact CE2-CD2 3.63Å; F200-F255 HydrophobicContact CE2-CD2 3.63Å; F200-F255 HydrophobicContact CE2-CE1 4.39Å; F200-F255 AromaticContact CE2-CE2 3.4Å; F200-F255 HydrophobicContact CE2-CE2 3.4Å; F200-F255 VanDerWaalsContact CE2-CE2 3.4Å; F200-F255 HydrophobicContact CE2-CG 4.22Å; F200-F255 AromaticContact CE2-CZ 3.83Å; F200-F255 HydrophobicContact CE2-CZ 3.83Å; F200-F255 HydrophobicContact CZ-CD1 4.13Å; F200-F255 AromaticContact CZ-CD2 3.9Å; F200-F255 HydrophobicContact CZ-CD2 3.9Å; F200-F255 AromaticContact CZ-CE1 3.68Å; F200-F255 HydrophobicContact CZ-CE1 3.68Å; F200-F255 AromaticContact CZ-CE2 3.44Å; F200-F255 HydrophobicContact CZ-CE2 3.44Å; F200-F255 VanDerWaalsContact CZ-CE2 3.44Å; F200-F255 HydrophobicContact CZ-CG 4.22Å; F200-F255 AromaticContact CZ-CZ 3.31Å; F200-F255 HydrophobicContact CZ-CZ 3.31Å; I250-F255 HydrophobicContact CD1-CB 3.97Å; I250-F255 HydrophobicContact CD1-CD2 4.16Å; I250-F255 HydrophobicContact CG1-CB 4.09Å; I250-F255 HydrophobicContact CG2-CB 4.11Å; I250-F255 HydrophobicContact CG2-CD2 4.19Å; I250-F255 HydrophobicContact CG2-CG 4.41Å; S251-F255 PolarHBondContact O-N 2.88Å; A253-F255 PolarHBondContact O-N 3.39Å; F255-V258 WeakPolarHBondContact O-CG2 3.49Å; F255-N259 PolarHBondContact O-N 3.36Å; F255-G260 VanDerWaalsContact CE2-CA 3.42Å; F255-G260 VanDerWaalsContact CZ-CA 3.41Å; F255-G260 PolarHBondContact O-N 3.43Å; F255-Y261 AromaticContact CE2-CD2 3.58Å; F255-Y261 HydrophobicContact CE2-CD2 3.58Å; F255-Y261 AromaticContact CE2-CE2 3.7Å; F255-Y261 HydrophobicContact CE2-CE2 3.7Å; F255-Y261 AromaticContact CZ-CD2 3.74Å; F255-Y261 HydrophobicContact CZ-CD2 3.74Å; F255-Y261 HydrophobicContact CZ-CE2 4.12Å; F255-L328 HydrophobicContact CD1-CD1 3.92Å; F255-L328 HydrophobicContact CE1-CD1 3.94Å; F255-L328 HydrophobicContact CE1-CD2 3.93Å; F255-L328 HydrophobicContact CE1-CG 4.22Å
256	I	98.5	Very high	98.4	Very high	6 Å²	6	19.2 Å²	19.2	3%	0.031	11%	0.107	C	C	.	.	H	α-helix	trans	-65.8	-42.4	172.8	-69.3	165.7	0	0	0	110.9	L46 T47 I51 F186 S252 A253 Q254 V258 N259 L328	L46-I256 HydrophobicContact CB-CG2 3.89Å; T47-I256 HydrophobicContact CG2-CG2 4.01Å; I51-I256 HydrophobicContact CD1-CD1 4.07Å; I51-I256 HydrophobicContact CD1-CG1 4.04Å; F186-I256 HydrophobicContact CE1-CD1 4.26Å; F186-I256 HydrophobicContact CE1-CG1 3.83Å; F186-I256 HydrophobicContact CZ-CD1 4.22Å; F186-I256 HydrophobicContact CZ-CG1 3.94Å; S252-I256 WeakPolarHBondContact O-CB 3.23Å; S252-I256 VanDerWaalsContact O-CD1 3.31Å; S252-I256 WeakPolarHBondContact O-CD1 3.5Å; S252-I256 WeakPolarHBondContact O-CG1 3.24Å; S252-I256 PolarHBondContact O-N 2.52Å; S252-I256 VanDerWaalsContact O-N 3.1Å; A253-I256 PolarHBondContact O-N 2.72Å; Q254-I256 VanDerWaalsContact C-N 3.33Å; Q254-I256 PolarHBondContact O-N 2.77Å; I256-V258 VanDerWaalsContact C-N 3.28Å; I256-V258 PolarHBondContact O-N 3.01Å; I256-N259 PolarHBondContact O-N 3.13Å; I256-L328 HydrophobicContact CG1-CD1 4.39Å
257	Q	97.5	Very high	98.3	Very high	91 Å²	91	18.9 Å²	18.9	43%	0.425	10%	0.103	S	C	.	.	H	α-helix	trans	-58.1	-38.6	-179.4	-176.2	177.7	21.6	0	0	112.7	L43 A253 Q254 N259 I284	L43-Q257 HydrophobicContact CD1-CB 4.35Å; L43-Q257 HydrophobicContact CD1-CG 4.49Å; A253-Q257 WeakPolarHBondContact O-CB 3.34Å; A253-Q257 PolarHBondContact O-N 3.42Å; Q254-Q257 WeakPolarHBondContact O-CB 3.31Å; Q254-Q257 PolarHBondContact O-N 3.47Å; Q257-N259 VanDerWaalsContact C-N 3.26Å; Q257-N259 PolarHBondContact O-N 2.83Å; Q257-I284 HydrophobicContact CB-CD1 4.33Å; Q257-I284 HydrophobicContact CG-CD1 4.27Å
258	V	98.1	Very high	98.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	7.3	177.5	-57.4	0	0	0	0	114.3	Q254 F255 I256 G260 L275 R278 L279 I284 M323	Q254-V258 PolarHBondContact O-N 3.34Å; Q254-V258 VanDerWaalsContact O-N 3.08Å; F255-V258 WeakPolarHBondContact O-CG2 3.49Å; I256-V258 VanDerWaalsContact C-N 3.28Å; I256-V258 PolarHBondContact O-N 3.01Å; V258-G260 PolarHBondContact O-N 2.92Å; V258-L275 HydrophobicContact CG2-CD1 3.72Å; V258-R278 HydrophobicContact CB-CB 4.01Å; V258-R278 HydrophobicContact CG1-CB 4.38Å; V258-R278 PolarHBondContact O-NH1 3.49Å; V258-L279 HydrophobicContact CG1-CD2 3.89Å; V258-I284 HydrophobicContact CG1-CD1 3.51Å; V258-M323 HydrophobicContact CB-CE 4.16Å
259	N	98.5	Very high	97.9	Very high	8 Å²	8	25.7 Å²	25.7	4%	0.043	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	32.2	-173.6	-166.3	28.8	0	0	0	112.7	F255 I256 Q257 M323 G327 L328 N329	F255-N259 PolarHBondContact O-N 3.36Å; I256-N259 PolarHBondContact O-N 3.13Å; Q257-N259 VanDerWaalsContact C-N 3.26Å; Q257-N259 PolarHBondContact O-N 2.83Å; N259-M323 VanDerWaalsContact CB-O 3.28Å; N259-M323 WeakPolarHBondContact CB-O 3.49Å; N259-M323 PolarHBondContact ND2-O 3.03Å; N259-G327 CarbonylContact O-C 3.55Å; N259-G327 WeakPolarHBondContact O-CA 3.45Å; N259-L328 PolarHBondContact O-N 2.98Å; N259-L328 WeakPolarHBondContact OD1-CB 3.44Å; N259-L328 PolarHBondContact OD1-N 2.78Å; N259-N329 VanDerWaalsContact ND2-CG 3.29Å; N259-N329 PolarHBondContact ND2-OD1 3.35Å; N259-N329 PolarHBondContact OD1-N 3.45Å; N259-N329 PolarHBondContact OD1-OD1 2.96Å
260	G	98.6	Very high	97.8	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	60.6	-157	-177.7	0	0	0	0	0	115	F255 V258 R278	F255-G260 VanDerWaalsContact CE2-CA 3.42Å; F255-G260 VanDerWaalsContact CZ-CA 3.41Å; F255-G260 PolarHBondContact O-N 3.43Å; V258-G260 PolarHBondContact O-N 2.92Å; G260-R278 PolarHBondContact O-NH1 2.95Å
261	Y	98.8	Very high	97.8	Very high	16 Å²	16	26.5 Å²	26.5	6%	0.063	14%	0.14	C	C	.	.	S	Bend	trans	-73.5	159.2	175.7	-69.6	-87.8	0	0	0	111.6	A179 M182 N183 F200 F255 L275 G327	A179-Y261 HydrophobicContact CB-CD1 4.27Å; A179-Y261 HydrophobicContact CB-CG 4.13Å; M182-Y261 HydrophobicContact CB-CD2 3.71Å; M182-Y261 HydrophobicContact CB-CE2 3.79Å; M182-Y261 HydrophobicContact CG-CD2 4.48Å; M182-Y261 HydrophobicContact CG-CE2 4.22Å; N183-Y261 PolarHBondContact ND2-O 2.93Å; N183-Y261 PolarHBondContact OD1-N 3.44Å; F200-Y261 HydrophobicContact CD1-CE2 4.17Å; F200-Y261 AromaticContact CD2-CE2 3.69Å; F200-Y261 HydrophobicContact CD2-CE2 3.69Å; F200-Y261 HydrophobicContact CE1-CE2 4.25Å; F200-Y261 AromaticContact CE2-CE2 3.79Å; F200-Y261 HydrophobicContact CE2-CE2 3.79Å; F200-Y261 AromaticContact CG-CE2 3.87Å; F200-Y261 HydrophobicContact CG-CE2 3.87Å; F200-Y261 HydrophobicContact CZ-CE2 4.07Å; F255-Y261 AromaticContact CE2-CD2 3.58Å; F255-Y261 HydrophobicContact CE2-CD2 3.58Å; F255-Y261 AromaticContact CE2-CE2 3.7Å; F255-Y261 HydrophobicContact CE2-CE2 3.7Å; F255-Y261 AromaticContact CZ-CD2 3.74Å; F255-Y261 HydrophobicContact CZ-CD2 3.74Å; F255-Y261 HydrophobicContact CZ-CE2 4.12Å; Y261-L275 HydrophobicContact CD1-CB 3.87Å; Y261-L275 HydrophobicContact CD1-CD2 3.95Å; Y261-L275 HydrophobicContact CD1-CG 4.38Å; Y261-L275 HydrophobicContact CE1-CB 3.87Å; Y261-L275 HydrophobicContact CE1-CD2 3.34Å; Y261-L275 HydrophobicContact CE1-CG 4.17Å; Y261-L275 HydrophobicContact CE2-CD2 4.13Å; Y261-L275 VanDerWaalsContact CZ-CD2 3.43Å; Y261-G327 WeakPolarHBondContact O-CA 3.27Å
262	S	98.5	Very high	97.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.143	C	C	.	.			trans	-67.2	135.3	166.9	172.7	0	0	0	0	111.5	A179 S264 Y265 R322 D326	A179-S262 VanDerWaalsContact CB-O 3.28Å; A179-S262 WeakPolarHBondContact CB-O 3.39Å; S262-S264 PolarHBondContact O-N 3.08Å; S262-S264 WeakPolarHBondContact OG-CB 3.21Å; S262-S264 PolarHBondContact OG-N 3.46Å; S262-Y265 VanDerWaalsContact CB-CE2 3.5Å; S262-Y265 WeakPolarHBondContact OG-CD2 3.45Å; S262-Y265 WeakPolarHBondContact OG-CE2 3.31Å; S262-R322 PolarHBondContact OG-NH1 3.3Å; S262-R322 PolarHBondContact OG-NH2 3.5Å; S262-D326 WeakPolarHBondContact CB-OD2 3.28Å; S262-D326 PolarHBondContact OG-OD2 3.2Å
263	N	98.5	Very high	97.8	Very high	11 Å²	11	28.5 Å²	28.5	6%	0.059	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	1.7	175.1	-56.9	-53.9	0	0	0	113.1	N177 R180 N183 D326 G327 S330 V331	N177-N263 PolarHBondContact ND2-O 3.43Å; R180-N263 HydrophobicContact CB-CB 4.32Å; R180-N263 HydrophobicContact CG-CB 4.05Å; N183-N263 PolarHBondContact ND2-OD1 2.81Å; N263-D326 VanDerWaalsContact CB-OD1 3.25Å; N263-D326 WeakPolarHBondContact CB-OD1 3.29Å; N263-D326 PolarHBondContact N-OD1 3.43Å; N263-D326 PolarHBondContact N-OD2 2.86Å; N263-D326 PolarHBondContact ND2-OD1 3.42Å; N263-G327 WeakPolarHBondContact ND2-CA 3.49Å; N263-G327 PolarHBondContact ND2-N 2.76Å; N263-G327 PolarHBondContact ND2-O 3.46Å; N263-S330 PolarHBondContact ND2-OG 3.27Å; N263-V331 PolarHBondContact ND2-N 2.98Å
264	S	98	Very high	97.8	Very high	41 Å²	41	25 Å²	25	29%	0.287	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-4.2	-166.4	-59.2	0	0	0	0	114.2	S262 W266 L315 R322 D326	S262-S264 PolarHBondContact O-N 3.08Å; S262-S264 WeakPolarHBondContact OG-CB 3.21Å; S262-S264 PolarHBondContact OG-N 3.46Å; S264-W266 PolarHBondContact O-N 3.3Å; S264-L315 WeakPolarHBondContact O-CD1 3.44Å; S264-R322 PolarHBondContact OG-NH1 2.98Å; S264-R322 VanDerWaalsContact OG-NH1 3.16Å; S264-D326 PolarHBondContact OG-OD2 3.37Å
265	Y	97.9	Very high	97.9	Very high	5 Å²	5	24.5 Å²	24.5	2%	0.02	12%	0.119	C	C	.	.			trans	-88.3	103.1	-176.9	-71.7	-92.4	0	0	0	111.8	N177 S262 G269 G270 E271 D274 V312 L315 L316	N177-Y265 PolarHBondContact ND2-O 3.23Å; N177-Y265 PolarHBondContact OD1-O 3.48Å; N177-Y265 VanDerWaalsContact OD1-O 3.08Å; S262-Y265 VanDerWaalsContact CB-CE2 3.5Å; S262-Y265 WeakPolarHBondContact OG-CD2 3.45Å; S262-Y265 WeakPolarHBondContact OG-CE2 3.31Å; Y265-G269 WeakPolarHBondContact CD1-O 3.46Å; Y265-G270 WeakPolarHBondContact CE1-O 3.45Å; Y265-E271 HydrophobicContact CD1-CB 4.19Å; Y265-E271 HydrophobicContact CD2-CB 4.07Å; Y265-E271 HydrophobicContact CG-CB 3.74Å; Y265-D274 HydrophobicContact CE2-CB 3.58Å; Y265-D274 WeakPolarHBondContact CE2-OD2 3.45Å; Y265-D274 WeakPolarHBondContact OH-CB 3.2Å; Y265-D274 PolarHBondContact OH-OD2 3.48Å; Y265-V312 HydrophobicContact CE1-CG1 4.36Å; Y265-L315 HydrophobicContact CD1-CD1 4.21Å; Y265-L315 HydrophobicContact CD2-CD1 4.46Å; Y265-L315 HydrophobicContact CE1-CB 4.11Å; Y265-L315 HydrophobicContact CE1-CD1 4.08Å; Y265-L315 HydrophobicContact CE2-CB 4.24Å; Y265-L315 HydrophobicContact CE2-CD1 4.33Å; Y265-L315 HydrophobicContact CG-CD1 4.39Å; Y265-L315 WeakPolarHBondContact OH-CB 3.22Å; Y265-L316 WeakPolarHBondContact OH-CD2 3.39Å; Y265-L316 PolarHBondContact OH-N 2.93Å
266	W	97.3	Very high	97.8	Very high	114 Å²	114	25 Å²	25	43%	0.432	12%	0.121	S	C	.	.			trans	-100.3	121.7	173	-64.8	93.3	0	0	0	110.5	I175 N177 S264 G307 L351	I175-W266 HydrophobicContact CB-CE3 4.41Å; I175-W266 HydrophobicContact CG2-CB 4.15Å; I175-W266 WeakPolarHBondContact O-CZ3 3.43Å; N177-W266 HydrophobicContact CB-CD2 4.12Å; N177-W266 HydrophobicContact CB-CE3 3.71Å; N177-W266 HydrophobicContact CB-CH2 4.22Å; N177-W266 HydrophobicContact CB-CZ3 3.76Å; S264-W266 PolarHBondContact O-N 3.3Å; W266-G307 WeakPolarHBondContact O-CA 3.35Å; W266-L351 HydrophobicContact CH2-CD1 4.11Å; W266-L351 HydrophobicContact CZ3-CD1 4.3Å
267	G	96.5	Very high	97.9	Very high	8 Å²	8	30 Å²	30	8%	0.082	14%	0.139	C	C	.	.	S	Bend	trans	90.8	-176.6	-174.3	0	0	0	0	0	111.4	I175 L176 V305	I175-G267 VanDerWaalsContact CG2-CA 3.48Å; L176-G267 PolarHBondContact O-N 2.85Å; G267-V305 CarbonylContact C-O 3.49Å; G267-V305 WeakPolarHBondContact CA-O 3.36Å
268	W	94.5	Very high	97.9	Very high	130 Å²	130	25.6 Å²	25.6	49%	0.492	12%	0.119	S	C	.	.	B	Isolated β-bridge	trans	-81	130	-177.9	-178.7	82.8	0	0	0	111.7	Q304 V305 K306 G307	W268-Q304 HydrophobicContact CB-CB 3.93Å; W268-V305 PolarHBondContact N-O 3.43Å; W268-K306 HydrophobicContact CE3-CG 4.22Å; W268-G307 PolarHBondContact O-N 3.12Å
269	G	95.3	Very high	97.9	Very high	17 Å²	17	25.6 Å²	25.6	18%	0.175	12%	0.119	C	C	.	.	S	Bend	trans	117.3	138.7	162.9	0	0	0	0	0	114.9	Y265 E271	Y265-G269 WeakPolarHBondContact CD1-O 3.46Å; G269-E271 WeakPolarHBondContact CA-OE2 3.19Å; G269-E271 PolarHBondContact N-OE2 3.29Å
270	G	97.1	Very high	97.9	Very high	5 Å²	5	30.7 Å²	30.7	5%	0.052	14%	0.14	C	C	.	.	S	Bend	trans	88.5	-9.4	169.6	0	0	0	0	0	114.9	Y265 D273 D274 L316	Y265-G270 WeakPolarHBondContact CE1-O 3.45Å; G270-D273 PolarHBondContact O-N 3.14Å; G270-D274 PolarHBondContact O-N 2.98Å; G270-L316 WeakPolarHBondContact O-CD2 3.25Å
271	E	98.3	Very high	97.9	Very high	12 Å²	12	32.9 Å²	32.9	6%	0.056	16%	0.159	C	C	.	.	H	α-helix	trans	-71.2	-32.9	-177.5	76.8	-78.9	-174.3	0	0	113.6	K178 A179 Y265 G269 L275	K178-E271 IonicContact NZ-OE1 2.68Å; A179-E271 HydrophobicContact CB-CB 3.71Å; A179-E271 HydrophobicContact CB-CG 3.96Å; Y265-E271 HydrophobicContact CD1-CB 4.19Å; Y265-E271 HydrophobicContact CD2-CB 4.07Å; Y265-E271 HydrophobicContact CG-CB 3.74Å; G269-E271 WeakPolarHBondContact CA-OE2 3.19Å; G269-E271 PolarHBondContact N-OE2 3.29Å; E271-L275 PolarHBondContact O-N 3.48Å
272	D	98.3	Very high	97.8	Very high	19 Å²	19	33.3 Å²	33.3	10%	0.102	16%	0.164	C	C	.	.	H	α-helix	trans	-77.2	-37.4	174.2	57.7	-29.7	0	0	0	111.9	L243 I244 G245 D274 L275 E276	L243-D272 VanDerWaalsContact CD1-OD2 3.25Å; L243-D272 WeakPolarHBondContact CD1-OD2 3.41Å; I244-D272 HydrophobicContact CG1-CB 4.5Å; G245-D272 WeakPolarHBondContact CA-OD2 3.31Å; G245-D272 PolarHBondContact N-OD2 3.11Å; D272-D274 VanDerWaalsContact C-N 3.31Å; D272-D274 PolarHBondContact O-N 2.81Å; D272-L275 PolarHBondContact O-N 3.14Å; D272-E276 PolarHBondContact O-N 3.41Å
273	D	98.5	Very high	97.8	Very high	32 Å²	32	40.4 Å²	40.4	17%	0.171	20%	0.202	C	C	.	.	H	α-helix	trans	-64.2	-34.3	171.6	-64.3	-48.3	0	0	0	112	Y240 G270 E276 R277 L316	Y240-D273 WeakPolarHBondContact CE2-OD1 3.43Å; Y240-D273 PolarHBondContact OH-OD1 3.33Å; Y240-D273 PolarHBondContact OH-OD2 3.47Å; G270-D273 PolarHBondContact O-N 3.14Å; D273-E276 PolarHBondContact O-N 2.92Å; D273-R277 WeakPolarHBondContact O-CG 3.32Å; D273-R277 PolarHBondContact O-N 3.5Å; D273-R277 VanDerWaalsContact O-N 3.14Å; D273-L316 HydrophobicContact CB-CD2 3.66Å
274	D	98.7	Very high	97.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.5	-47.2	172.5	-173	-70.8	0	0	0	110.9	Y265 G270 D272 E276 R277 R278 L316 A319 R322	Y265-D274 HydrophobicContact CE2-CB 3.58Å; Y265-D274 WeakPolarHBondContact CE2-OD2 3.45Å; Y265-D274 WeakPolarHBondContact OH-CB 3.2Å; Y265-D274 PolarHBondContact OH-OD2 3.48Å; G270-D274 PolarHBondContact O-N 2.98Å; D272-D274 VanDerWaalsContact C-N 3.31Å; D272-D274 PolarHBondContact O-N 2.81Å; D274-E276 VanDerWaalsContact C-N 3.26Å; D274-E276 PolarHBondContact O-N 3.39Å; D274-R277 WeakPolarHBondContact O-CB 3.38Å; D274-R277 PolarHBondContact O-N 3.48Å; D274-R277 VanDerWaalsContact O-N 3.11Å; D274-R278 WeakPolarHBondContact O-CG 3.17Å; D274-R278 PolarHBondContact O-N 2.93Å; D274-R278 IonicContact OD1-CZ 3.28Å; D274-R278 IonicContact OD1-NE 2.67Å; D274-R278 PolarHBondContact OD1-NE 2.97Å; D274-R278 IonicContact OD1-NH2 2.68Å; D274-R278 PolarHBondContact OD1-NH2 3.34Å; D274-L316 HydrophobicContact CB-CD2 4.2Å; D274-A319 HydrophobicContact CB-CB 4.39Å; D274-A319 WeakPolarHBondContact OD2-CB 3.46Å; D274-R322 IonicContact OD2-NH2 2.76Å; D274-R322 PolarHBondContact OD2-NH2 3.13Å
275	L	98.8	Very high	97.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-57.5	-42.3	175.2	179.8	63.2	0	0	0	111.1	I244 L248 V258 Y261 E271 D272 R277 R278 L279	I244-L275 HydrophobicContact CD1-CB 4.48Å; I244-L275 HydrophobicContact CD1-CD2 4.39Å; I244-L275 HydrophobicContact CD1-CG 4.3Å; L248-L275 HydrophobicContact CD2-CD2 3.55Å; V258-L275 HydrophobicContact CG2-CD1 3.72Å; Y261-L275 HydrophobicContact CD1-CB 3.87Å; Y261-L275 HydrophobicContact CD1-CD2 3.95Å; Y261-L275 HydrophobicContact CD1-CG 4.38Å; Y261-L275 HydrophobicContact CE1-CB 3.87Å; Y261-L275 HydrophobicContact CE1-CD2 3.34Å; Y261-L275 HydrophobicContact CE1-CG 4.17Å; Y261-L275 HydrophobicContact CE2-CD2 4.13Å; Y261-L275 VanDerWaalsContact CZ-CD2 3.43Å; E271-L275 PolarHBondContact O-N 3.48Å; D272-L275 PolarHBondContact O-N 3.14Å; L275-R277 VanDerWaalsContact C-N 3.32Å; L275-R277 PolarHBondContact O-N 2.59Å; L275-R278 WeakPolarHBondContact O-CB 3.37Å; L275-R278 PolarHBondContact O-N 3.46Å; L275-R278 VanDerWaalsContact O-N 3.13Å; L275-L279 HydrophobicContact CG-CD1 4.38Å; L275-L279 HydrophobicContact CG-CG 4.46Å; L275-L279 WeakPolarHBondContact O-CG 3.36Å; L275-L279 PolarHBondContact O-N 2.91Å
276	E	98.5	Very high	97.8	Very high	9 Å²	9	44.6 Å²	44.6	4%	0.042	22%	0.221	C	C	.	.	H	α-helix	trans	-57.4	-44.2	176.4	-171.5	-92.5	-171.3	0	0	112.3	S242 I244 D272 D273 D274 R278 L279 K280 Y286	S242-E276 WeakPolarHBondContact CB-OE1 3.35Å; I244-E276 HydrophobicContact CD1-CB 3.71Å; I244-E276 HydrophobicContact CD1-CG 4.33Å; I244-E276 HydrophobicContact CG1-CB 4.1Å; D272-E276 PolarHBondContact O-N 3.41Å; D273-E276 PolarHBondContact O-N 2.92Å; D274-E276 VanDerWaalsContact C-N 3.26Å; D274-E276 PolarHBondContact O-N 3.39Å; E276-R278 VanDerWaalsContact C-N 3.32Å; E276-R278 PolarHBondContact O-N 3.21Å; E276-L279 PolarHBondContact O-N 3.39Å; E276-K280 PolarHBondContact O-N 2.93Å; E276-K280 WeakPolarHBondContact OE1-CD 3.37Å; E276-K280 WeakPolarHBondContact OE1-CE 2.92Å; E276-K280 IonicContact OE1-NZ 3.78Å; E276-K280 PolarHBondContact OE1-NZ 3.13Å; E276-K280 IonicContact OE2-NZ 3.63Å; E276-Y286 HydrophobicContact CG-CD1 4.29Å; E276-Y286 HydrophobicContact CG-CE1 3.59Å; E276-Y286 PolarHBondContact OE1-OH 3.45Å
277	R	98.6	Very high	97.8	Very high	111 Å²	111	42.9 Å²	42.9	42%	0.419	22%	0.217	S	C	.	.	H	α-helix	trans	-63.7	-37.6	176.6	-70.3	168.9	-179.3	-101.6	-6.3	111.9	D273 D274 L275 A281 L316 A319 V320	D273-R277 WeakPolarHBondContact O-CG 3.32Å; D273-R277 PolarHBondContact O-N 3.5Å; D273-R277 VanDerWaalsContact O-N 3.14Å; D274-R277 WeakPolarHBondContact O-CB 3.38Å; D274-R277 PolarHBondContact O-N 3.48Å; D274-R277 VanDerWaalsContact O-N 3.11Å; L275-R277 VanDerWaalsContact C-N 3.32Å; L275-R277 PolarHBondContact O-N 2.59Å; R277-A281 WeakPolarHBondContact O-CB 3.46Å; R277-A281 PolarHBondContact O-N 2.92Å; R277-L316 WeakPolarHBondContact CD-O 3.47Å; R277-L316 PolarHBondContact NH1-O 2.88Å; R277-A319 HydrophobicContact CB-CB 4.04Å; R277-V320 HydrophobicContact CB-CG2 4.46Å
278	R	98.6	Very high	97.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-67	-40.1	176.1	-64	177.1	-177.6	-134.2	-6.9	112.5	V258 G260 D274 L275 E276 A281 S282 M323 D326	V258-R278 HydrophobicContact CB-CB 4.01Å; V258-R278 HydrophobicContact CG1-CB 4.38Å; V258-R278 PolarHBondContact O-NH1 3.49Å; G260-R278 PolarHBondContact O-NH1 2.95Å; D274-R278 WeakPolarHBondContact O-CG 3.17Å; D274-R278 PolarHBondContact O-N 2.93Å; D274-R278 IonicContact OD1-CZ 3.28Å; D274-R278 IonicContact OD1-NE 2.67Å; D274-R278 PolarHBondContact OD1-NE 2.97Å; D274-R278 IonicContact OD1-NH2 2.68Å; D274-R278 PolarHBondContact OD1-NH2 3.34Å; L275-R278 WeakPolarHBondContact O-CB 3.37Å; L275-R278 PolarHBondContact O-N 3.46Å; L275-R278 VanDerWaalsContact O-N 3.13Å; E276-R278 VanDerWaalsContact C-N 3.32Å; E276-R278 PolarHBondContact O-N 3.21Å; R278-A281 PolarHBondContact O-N 3.32Å; R278-S282 WeakPolarHBondContact O-CB 3.37Å; R278-S282 PolarHBondContact O-N 2.76Å; R278-S282 PolarHBondContact O-OG 2.96Å; R278-M323 HydrophobicContact CB-CE 3.87Å; R278-M323 HydrophobicContact CB-SD 4.18Å; R278-M323 HydrophobicContact CG-CB 3.83Å; R278-M323 HydrophobicContact CG-CE 4.17Å; R278-M323 HydrophobicContact CG-SD 4.1Å; R278-D326 VanDerWaalsContact CZ-O 3.26Å; R278-D326 PolarHBondContact NH1-O 2.88Å; R278-D326 PolarHBondContact NH2-O 3.12Å; R278-D326 IonicContact NH2-OD2 2.61Å
279	L	98.6	Very high	98	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.4	-50.2	175.1	-67.7	171.9	0	0	0	110.1	V224 I244 I250 V258 L275 E276 A281 S282 N283 I284 Y286	V224-L279 HydrophobicContact CB-CD1 4.22Å; V224-L279 HydrophobicContact CG1-CD1 4.22Å; V224-L279 HydrophobicContact CG2-CD1 3.95Å; V224-L279 HydrophobicContact CG2-CD2 3.58Å; V224-L279 HydrophobicContact CG2-CG 4.44Å; I244-L279 HydrophobicContact CD1-CD1 3.84Å; I250-L279 HydrophobicContact CD1-CD2 4.11Å; V258-L279 HydrophobicContact CG1-CD2 3.89Å; L275-L279 HydrophobicContact CG-CD1 4.38Å; L275-L279 HydrophobicContact CG-CG 4.46Å; L275-L279 WeakPolarHBondContact O-CG 3.36Å; L275-L279 PolarHBondContact O-N 2.91Å; E276-L279 PolarHBondContact O-N 3.39Å; L279-A281 PolarHBondContact O-N 3.22Å; L279-S282 CarbonylContact O-C 3.57Å; L279-S282 PolarHBondContact O-N 3.43Å; L279-S282 VanDerWaalsContact O-N 3.09Å; L279-N283 PolarHBondContact O-N 3.37Å; L279-N283 VanDerWaalsContact O-N 3.17Å; L279-I284 HydrophobicContact CB-CB 4.37Å; L279-I284 HydrophobicContact CD2-CB 3.97Å; L279-I284 HydrophobicContact CD2-CD1 4.08Å; L279-I284 HydrophobicContact CD2-CG2 3.8Å; L279-I284 PolarHBondContact O-N 3.22Å; L279-Y286 HydrophobicContact CD1-CD1 4.42Å
280	K	98.4	Very high	98.1	Very high	114 Å²	114	45.8 Å²	45.8	50%	0.496	23%	0.229	S	C	.	.	H	α-helix	trans	-58	-46.9	175.8	-78.7	179.8	166.4	165.1	0	112.8	E276 S282 N283 Y286	E276-K280 PolarHBondContact O-N 2.93Å; E276-K280 WeakPolarHBondContact OE1-CD 3.37Å; E276-K280 WeakPolarHBondContact OE1-CE 2.92Å; E276-K280 IonicContact OE1-NZ 3.78Å; E276-K280 PolarHBondContact OE1-NZ 3.13Å; E276-K280 IonicContact OE2-NZ 3.63Å; K280-S282 PolarHBondContact O-N 2.64Å; K280-N283 PolarHBondContact O-N 3.25Å; K280-N283 VanDerWaalsContact O-N 3.08Å; K280-Y286 HydrophobicContact CG-CE1 4.39Å
281	A	98	Very high	97.9	Very high	47 Å²	47	52.8 Å²	52.8	39%	0.388	26%	0.258	S	S	.	.	H	α-helix	trans	-63.1	-25.8	178.3	0	0	0	0	0	113.2	R277 R278 L279 V320 M323	R277-A281 WeakPolarHBondContact O-CB 3.46Å; R277-A281 PolarHBondContact O-N 2.92Å; R278-A281 PolarHBondContact O-N 3.32Å; L279-A281 PolarHBondContact O-N 3.22Å; A281-V320 HydrophobicContact CB-CB 4.31Å; A281-V320 HydrophobicContact CB-CG1 3.62Å; A281-V320 HydrophobicContact CB-CG2 3.74Å; A281-M323 HydrophobicContact CB-SD 4.35Å
282	S	97.6	Very high	97.7	Very high	24 Å²	24	55.8 Å²	55.8	17%	0.168	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	5.9	177.6	-52.6	0	0	0	0	113.4	R278 L279 K280 I284 M323	R278-S282 WeakPolarHBondContact O-CB 3.37Å; R278-S282 PolarHBondContact O-N 2.76Å; R278-S282 PolarHBondContact O-OG 2.96Å; L279-S282 CarbonylContact O-C 3.57Å; L279-S282 PolarHBondContact O-N 3.43Å; L279-S282 VanDerWaalsContact O-N 3.09Å; K280-S282 PolarHBondContact O-N 2.64Å; S282-I284 PolarHBondContact O-N 3.04Å; S282-M323 WeakPolarHBondContact OG-CE 3.48Å
283	N	97.8	Very high	97.5	Very high	150 Å²	150	56.9 Å²	56.9	80%	0.802	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	30	-173.3	-56.5	-62.7	0	0	0	113.9	L279 K280	L279-N283 PolarHBondContact O-N 3.37Å; L279-N283 VanDerWaalsContact O-N 3.17Å; K280-N283 PolarHBondContact O-N 3.25Å; K280-N283 VanDerWaalsContact O-N 3.08Å
284	I	98.2	Very high	97.5	Very high	14 Å²	14	55.3 Å²	55.3	7%	0.072	28%	0.278	C	S	.	.			trans	-92	120.9	174.2	-58.5	169.7	0	0	0	107.9	V224 Q254 Q257 V258 L279 S282	V224-I284 HydrophobicContact CG2-CG2 3.82Å; Q254-I284 HydrophobicContact CB-CD1 4.03Å; Q254-I284 HydrophobicContact CB-CG2 4.39Å; Q254-I284 HydrophobicContact CG-CD1 4.16Å; Q254-I284 HydrophobicContact CG-CG2 3.92Å; Q257-I284 HydrophobicContact CB-CD1 4.33Å; Q257-I284 HydrophobicContact CG-CD1 4.27Å; V258-I284 HydrophobicContact CG1-CD1 3.51Å; L279-I284 HydrophobicContact CB-CB 4.37Å; L279-I284 HydrophobicContact CD2-CB 3.97Å; L279-I284 HydrophobicContact CD2-CD1 4.08Å; L279-I284 HydrophobicContact CD2-CG2 3.8Å; L279-I284 PolarHBondContact O-N 3.22Å; S282-I284 PolarHBondContact O-N 3.04Å
285	V	98	Very high	97.3	Very high	87 Å²	87	58.8 Å²	58.8	53%	0.527	29%	0.291	S	S	.	.			trans	-75.8	140.6	177.1	178.1	0	0	0	0	109.5	S223 V224 K287	S223-V285 CarbonylContact C-O 3.56Å; S223-V285 VanDerWaalsContact CA-O 3.29Å; S223-V285 WeakPolarHBondContact CA-O 3.21Å; S223-V285 WeakPolarHBondContact CB-O 3.41Å; V224-V285 PolarHBondContact N-O 2.75Å; V285-K287 HydrophobicContact CG1-CG 4.37Å
286	Y	97.9	Very high	97.2	Very high	44 Å²	44	58.8 Å²	58.8	17%	0.173	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	149.3	165.2	65.6	-92.1	0	0	0	110.3	V224 I244 E276 L279 K280	V224-Y286 CarbonylContact O-C 3.27Å; V224-Y286 WeakPolarHBondContact O-CA 3.44Å; I244-Y286 HydrophobicContact CG2-CD2 3.6Å; I244-Y286 HydrophobicContact CG2-CE2 3.93Å; I244-Y286 HydrophobicContact CG2-CG 4.1Å; E276-Y286 HydrophobicContact CG-CD1 4.29Å; E276-Y286 HydrophobicContact CG-CE1 3.59Å; E276-Y286 PolarHBondContact OE1-OH 3.45Å; L279-Y286 HydrophobicContact CD1-CD1 4.42Å; K280-Y286 HydrophobicContact CG-CE1 4.39Å
287	K	97.8	Very high	97	Very high	78 Å²	78	59 Å²	59	34%	0.339	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	148.8	-179.1	-66	175.1	179.8	166.8	0	110.5	E219 V224 H226 V285	E219-K287 HydrophobicContact CG-CD 4.37Å; E219-K287 WeakPolarHBondContact OE1-CD 3.38Å; E219-K287 IonicContact OE1-NZ 3.41Å; E219-K287 PolarHBondContact OE1-NZ 3.47Å; V224-K287 PolarHBondContact O-N 3.26Å; H226-K287 PolarHBondContact N-O 2.88Å; V285-K287 HydrophobicContact CG1-CG 4.37Å
288	H	98.4	Very high	96.8	Very high	62 Å²	62	54.4 Å²	54.4	29%	0.287	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	129.8	168.4	-58.2	-48.3	0	0	0	108.1	H226 V229 K241 L243	H226-H288 WeakPolarHBondContact CB-ND1 3.35Å; H226-H288 AromaticContact CG-ND1 3.62Å; H226-H288 AromaticContact ND1-CE1 3.54Å; H226-H288 AromaticContact ND1-ND1 3.06Å; H226-H288 PolarHBondContact ND1-ND1 3.41Å; V229-H288 HydrophobicContact CG1-CB 4.29Å; V229-H288 HydrophobicContact CG2-CB 3.71Å; K241-H288 PolarHBondContact O-NE2 2.81Å; L243-H288 PolarHBondContact O-CE1 3.2Å
289	I	97.6	Very high	96.5	Very high	22 Å²	22	54.6 Å²	54.6	11%	0.113	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-66.5	166.4	171.1	66.8	174	0	0	0	110.9	I212 P213 V225 H226 L227 V229 K291 G294	I212-I289 HydrophobicContact CG1-CD1 4.4Å; I212-I289 HydrophobicContact CG2-CD1 4.02Å; P213-I289 HydrophobicContact CG-CG2 4.25Å; V225-I289 HydrophobicContact CG1-CG2 3.39Å; H226-I289 PolarHBondContact O-N 2.76Å; L227-I289 HydrophobicContact CB-CD1 4.42Å; L227-I289 HydrophobicContact CD2-CD1 4.07Å; L227-I289 HydrophobicContact CD2-CG2 4.15Å; L227-I289 WeakPolarHBondContact O-CD1 3.47Å; V229-I289 HydrophobicContact CG2-CG1 3.94Å; V229-I289 WeakPolarHBondContact CG2-O 3.49Å; I289-K291 PolarHBondContact O-N 3.4Å; I289-G294 VanDerWaalsContact CD1-CA 3.46Å
290	E	96.6	Very high	96.2	Very high	131 Å²	131	58.8 Å²	58.8	61%	0.612	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-55	126.6	179	-71.2	-60.2	150.3	0	0	112	S292 I293 G294	E290-S292 PolarHBondContact O-N 3.24Å; E290-I293 HydrophobicContact CB-CB 4.49Å; E290-I293 HydrophobicContact CB-CD1 4.26Å; E290-I293 HydrophobicContact CB-CG1 4.38Å; E290-I293 WeakPolarHBondContact O-CA 3.44Å; E290-I293 PolarHBondContact O-N 3.26Å; E290-G294 PolarHBondContact O-N 3.42Å
291	K	93.5	Very high	95.9	Very high	152 Å²	152	56.9 Å²	56.9	66%	0.661	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-23.9	-177.5	67.2	177.8	-179.5	179.6	0	114	V229 I289 I293 R295	V229-K291 HydrophobicContact CG1-CB 4.21Å; I289-K291 PolarHBondContact O-N 3.4Å; K291-I293 VanDerWaalsContact C-N 3.31Å; K291-R295 VanDerWaalsContact O-CG 3.31Å; K291-R295 WeakPolarHBondContact O-CG 3.4Å
292	S	92.7	Very high	95.6	Very high	75 Å²	75	61.2 Å²	61.2	52%	0.524	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-22.6	176.8	55.7	0	0	0	0	112.6	E290	E290-S292 PolarHBondContact O-N 3.24Å
293	I	95.7	Very high	95.2	Very high	42 Å²	42	69.3 Å²	69.3	22%	0.215	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-48.8	179.4	-62.6	174.8	0	0	0	110.6	D209 R211 I212 E290 K291 R295	D209-I293 WeakPolarHBondContact CB-O 3.24Å; R211-I293 HydrophobicContact CB-CG2 3.87Å; I212-I293 HydrophobicContact CG1-CG2 3.95Å; I212-I293 WeakPolarHBondContact CG1-O 3.4Å; E290-I293 HydrophobicContact CB-CB 4.49Å; E290-I293 HydrophobicContact CB-CD1 4.26Å; E290-I293 HydrophobicContact CB-CG1 4.38Å; E290-I293 WeakPolarHBondContact O-CA 3.44Å; E290-I293 PolarHBondContact O-N 3.26Å; K291-I293 VanDerWaalsContact C-N 3.31Å; I293-R295 PolarHBondContact O-N 3.25Å
294	G	96.9	Very high	94.8	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	32%	0.324	C	S	.	.	S	Bend	trans	-72.2	47.5	-175.8	0	0	0	0	0	115.1	L227 V229 G230 I289 E290	L227-G294 VanDerWaalsContact O-CA 3.26Å; L227-G294 WeakPolarHBondContact O-CA 3.39Å; V229-G294 PolarHBondContact N-O 3.36Å; G230-G294 PolarHBondContact N-O 2.84Å; I289-G294 VanDerWaalsContact CD1-CA 3.46Å; E290-G294 PolarHBondContact O-N 3.42Å
295	R	95.7	Very high	94.6	Very high	72 Å²	72	69.1 Å²	69.1	27%	0.272	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	129.1	-176.9	-65.6	-175.2	66.6	-178.1	1.4	111.3	L208 G230 Y236 K291 I293	L208-R295 HydrophobicContact CB-CB 4.28Å; L208-R295 WeakPolarHBondContact CB-O 2.88Å; L208-R295 HydrophobicContact CD1-CB 4.4Å; L208-R295 PolarHBondContact N-O 3.35Å; G230-R295 CarbonylContact O-C 3.52Å; G230-R295 VanDerWaalsContact O-CA 3.23Å; G230-R295 WeakPolarHBondContact O-CA 3.3Å; Y236-R295 HydrophobicContact CD1-CB 3.89Å; Y236-R295 HydrophobicContact CD1-CG 3.86Å; Y236-R295 HydrophobicContact CE1-CB 4.04Å; Y236-R295 HydrophobicContact CE1-CG 4.44Å; Y236-R295 VanDerWaalsContact CZ-NH2 3.26Å; K291-R295 VanDerWaalsContact O-CG 3.31Å; K291-R295 WeakPolarHBondContact O-CG 3.4Å; I293-R295 PolarHBondContact O-N 3.25Å
296	Y	96.2	Very high	94.5	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	143.4	175.9	-73.2	-104.2	0	0	0	111.2	H201 L205 I206 P207 I212 H214 L227 G230 V231 S232 Y236 V247	H201-Y296 AromaticContact NE2-CE1 3.79Å; L205-Y296 HydrophobicContact CB-CD1 3.74Å; L205-Y296 HydrophobicContact CB-CG 4.32Å; I206-Y296 CarbonylContact O-C 3.55Å; I206-Y296 WeakPolarHBondContact O-CA 3.43Å; P207-Y296 HydrophobicContact CB-CD1 4.19Å; P207-Y296 HydrophobicContact CB-CE1 3.76Å; P207-Y296 HydrophobicContact CG-CE1 4.44Å; I212-Y296 HydrophobicContact CD1-CD2 4.27Å; I212-Y296 HydrophobicContact CD1-CE2 3.66Å; I212-Y296 HydrophobicContact CG2-CE2 4.38Å; H214-Y296 PolarHBondContact NE2-OH 3.15Å; L227-Y296 HydrophobicContact CB-CE2 4.39Å; L227-Y296 WeakPolarHBondContact O-CE2 3.19Å; G230-Y296 PolarHBondContact O-N 2.9Å; V231-Y296 WeakPolarHBondContact CA-O 3.27Å; S232-Y296 PolarHBondContact N-O 3.04Å; Y236-Y296 WeakPolarHBondContact CE1-O 3.41Å; V247-Y296 HydrophobicContact CB-CE1 4.48Å; V247-Y296 HydrophobicContact CG2-CD1 4.26Å; V247-Y296 HydrophobicContact CG2-CE1 3.73Å
297	L	94.1	Very high	94.3	Very high	14 Å²	14	71 Å²	71	7%	0.073	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	116.8	166.1	176.4	76.8	0	0	0	108.8	F91 I206 L208	F91-L297 HydrophobicContact CE1-CD1 4.25Å; F91-L297 HydrophobicContact CE1-CD2 3.53Å; F91-L297 HydrophobicContact CE1-CG 4.39Å; F91-L297 HydrophobicContact CE2-CD2 4.27Å; F91-L297 HydrophobicContact CZ-CD2 3.39Å; I206-L297 HydrophobicContact CB-CB 4.27Å; I206-L297 HydrophobicContact CD1-CD2 4.25Å; I206-L297 PolarHBondContact N-O 3.05Å; I206-L297 PolarHBondContact O-N 2.68Å; L208-L297 HydrophobicContact CD1-CB 4.22Å; L208-L297 HydrophobicContact CD2-CB 3.97Å; L208-L297 HydrophobicContact CG-CB 4.28Å
298	A	94.6	Very high	94.2	Very high	15 Å²	15	72.2 Å²	72.2	12%	0.124	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	119.6	166.1	0	0	0	0	0	109.9	L205 V231 S232 T233	L205-A298 HydrophobicContact CD2-CB 3.81Å; V231-A298 HydrophobicContact CG1-CB 3.51Å; S232-A298 PolarHBondContact OG-N 2.87Å; T233-A298 HydrophobicContact CG2-CB 3.76Å
299	Q	93.2	Very high	94.1	Very high	4 Å²	4	75.1 Å²	75.1	2%	0.019	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-75.4	145.1	178.9	-66.2	175.8	77.3	0	0	111.3	F95 Q144 N147 T148 D204 I206	F95-Q299 HydrophobicContact CD2-CG 4.18Å; F95-Q299 HydrophobicContact CE2-CG 4.06Å; F95-Q299 VanDerWaalsContact CE2-OE1 3.27Å; Q144-Q299 HydrophobicContact CB-CB 4.44Å; Q144-Q299 HydrophobicContact CG-CB 3.75Å; Q144-Q299 PolarHBondContact O-NE2 3.08Å; N147-Q299 VanDerWaalsContact CB-OE1 3.23Å; N147-Q299 PolarHBondContact ND2-OE1 3.25Å; T148-Q299 PolarHBondContact OG1-NE2 3.27Å; D204-Q299 HydrophobicContact CB-CB 4.34Å; D204-Q299 WeakPolarHBondContact O-CB 3.28Å; D204-Q299 WeakPolarHBondContact O-CG 3.25Å; D204-Q299 PolarHBondContact O-N 3.2Å; D204-Q299 PolarHBondContact O-NE2 3.32Å; I206-Q299 VanDerWaalsContact CD1-CD 3.44Å; I206-Q299 HydrophobicContact CD1-CG 3.62Å; I206-Q299 HydrophobicContact CG1-CG 4.26Å
300	P	91.9	Very high	94.1	Very high	88 Å²	88	84 Å²	84	57%	0.571	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-63.9	139.4	176.2	27.6	-34.3	0	0	0	111.1	F95 Q144	F95-P300 HydrophobicContact CD1-CG 4.46Å; Q144-P300 PolarHBondContact NE2-O 2.97Å
301	H	90.7	Very high	94.1	Very high	74 Å²	74	80.6 Å²	80.6	34%	0.343	40%	0.404	S	S	.	.			trans	-163.7	160.6	-179.7	62.7	10.1	0	0	0	111	R141 D204	R141-H301 PolarHBondContact NE-CD2 2.95Å; D204-H301 IonicContact OD2-CD2 2.68Å; D204-H301 IonicContact OD2-NE2 3.8Å; D204-H301 PolarHBondContact OD2-NE2 2.98Å
302	D	91.9	Very high	94.3	Very high	137 Å²	137	74.3 Å²	74.3	73%	0.733	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-64.5	138.9	174.2	-67.9	-37.6	0	0	0	111.6	R141 Q304	R141-D302 PolarHBondContact NH2-O 2.83Å; D302-Q304 PolarHBondContact O-N 2.95Å
303	K	89.6	Confident	94.5	Very high	195 Å²	195	75.6 Å²	75.6	85%	0.848	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-66.5	136.5	-179.7	-67.9	-179	-178.9	174.6	0	111
304	Q	90.1	Very high	94.6	Very high	64 Å²	64	77.9 Å²	77.9	30%	0.299	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-67	153.9	172.6	-68.6	-179.7	-13.2	0	0	111.2	W268 D302 K306	W268-Q304 HydrophobicContact CB-CB 3.93Å; D302-Q304 PolarHBondContact O-N 2.95Å; Q304-K306 PolarHBondContact O-N 3.18Å
305	V	94	Very high	94.7	Very high	96 Å²	96	79 Å²	79	58%	0.582	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-59.1	122.9	170.1	179	0	0	0	0	108.6	G267 W268	G267-V305 CarbonylContact C-O 3.49Å; G267-V305 WeakPolarHBondContact CA-O 3.36Å; W268-V305 PolarHBondContact N-O 3.43Å
306	K	94.9	Very high	94.8	Very high	155 Å²	155	76.4 Å²	76.4	67%	0.674	39%	0.389	S	S	*	.	B	Isolated β-bridge	trans	-70.8	144.4	177.8	-67.3	-171.2	174.4	-174.6	0	110.9	W268 Q304	W268-K306 HydrophobicContact CE3-CG 4.22Å; Q304-K306 PolarHBondContact O-N 3.18Å
307	G	94	Very high	94.9	Very high	15 Å²	15	83.7 Å²	83.7	16%	0.155	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-60.8	152.8	168.5	0	0	0	0	0	111.9	W266 W268 I309	W266-G307 WeakPolarHBondContact O-CA 3.35Å; W268-G307 PolarHBondContact O-N 3.12Å; G307-I309 PolarHBondContact O-N 2.94Å
308	N	96.3	Very high	95	Very high	103 Å²	103	85.8 Å²	85.8	55%	0.551	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-64.6	120.2	172.6	-179.3	-64.2	0	0	0	109.4	R310 S311 V312	N308-R310 VanDerWaalsContact C-N 3.29Å; N308-R310 PolarHBondContact O-N 2.69Å; N308-R310 WeakPolarHBondContact OD1-CB 3.4Å; N308-R310 PolarHBondContact OD1-N 2.87Å; N308-S311 WeakPolarHBondContact O-CB 3.46Å; N308-S311 PolarHBondContact O-N 3.36Å; N308-S311 VanDerWaalsContact O-N 3.09Å; N308-S311 PolarHBondContact OD1-N 3.47Å; N308-V312 WeakPolarHBondContact O-CG2 3.26Å; N308-V312 PolarHBondContact O-N 2.87Å
309	I	96.1	Very high	95.2	Very high	123 Å²	123	85.1 Å²	85.1	63%	0.631	43%	0.428	S	S	*	.	H	α-helix	trans	-56.9	-39.1	-173.6	-173.3	59.7	0	0	0	113.2	G307 V312 L313	G307-I309 PolarHBondContact O-N 2.94Å; I309-V312 PolarHBondContact O-N 2.67Å; I309-L313 HydrophobicContact CD1-CD1 4.3Å; I309-L313 HydrophobicContact CD1-CG 4.19Å; I309-L313 HydrophobicContact CG1-CD1 4.08Å; I309-L313 HydrophobicContact CG1-CG 4.4Å; I309-L313 WeakPolarHBondContact O-CB 3.43Å; I309-L313 VanDerWaalsContact O-CG 3.24Å; I309-L313 WeakPolarHBondContact O-CG 2.99Å; I309-L313 PolarHBondContact O-N 3.42Å
310	R	96.8	Very high	95.4	Very high	208 Å²	208	88.6 Å²	88.6	79%	0.785	45%	0.449	S	S	*	.	H	α-helix	trans	-67.2	-42.1	179.5	-173.7	176.7	-177.7	166.3	1.4	110.9	N308 D314	N308-R310 VanDerWaalsContact C-N 3.29Å; N308-R310 PolarHBondContact O-N 2.69Å; N308-R310 WeakPolarHBondContact OD1-CB 3.4Å; N308-R310 PolarHBondContact OD1-N 2.87Å; R310-D314 WeakPolarHBondContact O-CB 3.49Å; R310-D314 PolarHBondContact O-N 3.03Å; R310-D314 VanDerWaalsContact O-N 3.08Å
311	S	96.6	Very high	95.7	Very high	60 Å²	60	88.2 Å²	88.2	42%	0.42	45%	0.449	S	S	.	.	H	α-helix	trans	-65	-43.7	175.3	-55.6	0	0	0	0	111.7	N308 L313 D314 L315	N308-S311 WeakPolarHBondContact O-CB 3.46Å; N308-S311 PolarHBondContact O-N 3.36Å; N308-S311 VanDerWaalsContact O-N 3.09Å; N308-S311 PolarHBondContact OD1-N 3.47Å; S311-L313 PolarHBondContact O-N 2.82Å; S311-D314 PolarHBondContact O-N 2.8Å; S311-L315 WeakPolarHBondContact O-CB 3.48Å; S311-L315 WeakPolarHBondContact O-CG 3.19Å; S311-L315 PolarHBondContact O-N 3.08Å
312	V	97.7	Very high	96	Very high	20 Å²	20	86.5 Å²	86.5	12%	0.121	44%	0.44	C	S	.	.	H	α-helix	trans	-60.8	-44.9	178	169.9	0	0	0	0	111	Y265 N308 I309 L315 L316	Y265-V312 HydrophobicContact CE1-CG1 4.36Å; N308-V312 WeakPolarHBondContact O-CG2 3.26Å; N308-V312 PolarHBondContact O-N 2.87Å; I309-V312 PolarHBondContact O-N 2.67Å; V312-L315 PolarHBondContact O-N 2.75Å; V312-L316 HydrophobicContact CG1-CD1 3.91Å; V312-L316 HydrophobicContact CG1-CG 4.45Å; V312-L316 WeakPolarHBondContact O-CB 3.38Å; V312-L316 VanDerWaalsContact O-CG 3.27Å; V312-L316 WeakPolarHBondContact O-CG 3.44Å; V312-L316 PolarHBondContact O-N 3.21Å
313	L	97.6	Very high	96.2	Very high	102 Å²	102	80.7 Å²	80.7	53%	0.534	41%	0.408	S	S	.	.	H	α-helix	trans	-64	-43.7	178.6	-69.4	173.9	0	0	0	112.3	I309 S311 L316 E317	I309-L313 HydrophobicContact CD1-CD1 4.3Å; I309-L313 HydrophobicContact CD1-CG 4.19Å; I309-L313 HydrophobicContact CG1-CD1 4.08Å; I309-L313 HydrophobicContact CG1-CG 4.4Å; I309-L313 WeakPolarHBondContact O-CB 3.43Å; I309-L313 VanDerWaalsContact O-CG 3.24Å; I309-L313 WeakPolarHBondContact O-CG 2.99Å; I309-L313 PolarHBondContact O-N 3.42Å; S311-L313 PolarHBondContact O-N 2.82Å; L313-L316 PolarHBondContact O-N 2.86Å; L313-E317 WeakPolarHBondContact O-CB 3.21Å; L313-E317 PolarHBondContact O-N 3.06Å
314	D	97.9	Very high	96.4	Very high	90 Å²	90	74.8 Å²	74.8	48%	0.481	39%	0.385	S	S	.	.	H	α-helix	trans	-62.9	-41.6	175.9	179	68.4	0	0	0	112.3	R310 S311 L316 E317 N318	R310-D314 WeakPolarHBondContact O-CB 3.49Å; R310-D314 PolarHBondContact O-N 3.03Å; R310-D314 VanDerWaalsContact O-N 3.08Å; S311-D314 PolarHBondContact O-N 2.8Å; D314-L316 PolarHBondContact O-N 2.66Å; D314-E317 PolarHBondContact O-N 3.5Å; D314-N318 PolarHBondContact O-N 2.93Å; D314-N318 VanDerWaalsContact O-N 3.13Å; D314-N318 PolarHBondContact O-ND2 2.61Å; D314-N318 PolarHBondContact OD1-ND2 3.21Å
315	L	98.3	Very high	96.8	Very high	24 Å²	24	76.6 Å²	76.6	13%	0.126	40%	0.401	C	S	.	.	H	α-helix	trans	-62.8	-42.1	175.6	-71.1	172.1	0	0	0	111.8	S264 Y265 S311 V312 N318 A319 R322	S264-L315 WeakPolarHBondContact O-CD1 3.44Å; Y265-L315 HydrophobicContact CD1-CD1 4.21Å; Y265-L315 HydrophobicContact CD2-CD1 4.46Å; Y265-L315 HydrophobicContact CE1-CB 4.11Å; Y265-L315 HydrophobicContact CE1-CD1 4.08Å; Y265-L315 HydrophobicContact CE2-CB 4.24Å; Y265-L315 HydrophobicContact CE2-CD1 4.33Å; Y265-L315 HydrophobicContact CG-CD1 4.39Å; Y265-L315 WeakPolarHBondContact OH-CB 3.22Å; S311-L315 WeakPolarHBondContact O-CB 3.48Å; S311-L315 WeakPolarHBondContact O-CG 3.19Å; S311-L315 PolarHBondContact O-N 3.08Å; V312-L315 PolarHBondContact O-N 2.75Å; L315-N318 CarbonylContact O-C 3.52Å; L315-N318 PolarHBondContact O-N 2.84Å; L315-A319 WeakPolarHBondContact O-CA 3.38Å; L315-A319 PolarHBondContact O-N 3.43Å; L315-R322 VanDerWaalsContact CD2-CZ 3.49Å; L315-R322 PolarHBondContact O-NE 3.17Å
316	L	98.2	Very high	97	Very high	18 Å²	18	72.7 Å²	72.7	9%	0.094	38%	0.377	C	S	.	.	H	α-helix	trans	-69.1	-37.8	178.6	-74.9	172.5	0	0	0	113.1	Y265 G270 D273 D274 R277 V312 L313 D314 N318 A319	Y265-L316 WeakPolarHBondContact OH-CD2 3.39Å; Y265-L316 PolarHBondContact OH-N 2.93Å; G270-L316 WeakPolarHBondContact O-CD2 3.25Å; D273-L316 HydrophobicContact CB-CD2 3.66Å; D274-L316 HydrophobicContact CB-CD2 4.2Å; R277-L316 WeakPolarHBondContact CD-O 3.47Å; R277-L316 PolarHBondContact NH1-O 2.88Å; V312-L316 HydrophobicContact CG1-CD1 3.91Å; V312-L316 HydrophobicContact CG1-CG 4.45Å; V312-L316 WeakPolarHBondContact O-CB 3.38Å; V312-L316 VanDerWaalsContact O-CG 3.27Å; V312-L316 WeakPolarHBondContact O-CG 3.44Å; V312-L316 PolarHBondContact O-N 3.21Å; L313-L316 PolarHBondContact O-N 2.86Å; D314-L316 PolarHBondContact O-N 2.66Å; L316-N318 PolarHBondContact O-N 2.9Å; L316-A319 PolarHBondContact O-N 3.34Å
317	E	97.8	Very high	97.1	Very high	153 Å²	153	65.3 Å²	65.3	72%	0.715	35%	0.345	S	S	*	.	H	α-helix	trans	-60.8	-39.3	173.9	-175.4	171.3	-175.9	0	0	110.7	L313 D314	L313-E317 WeakPolarHBondContact O-CB 3.21Å; L313-E317 PolarHBondContact O-N 3.06Å; D314-E317 PolarHBondContact O-N 3.5Å
318	N	97.7	Very high	97.3	Very high	58 Å²	58	65.1 Å²	65.1	31%	0.31	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	11.4	-177.2	-66.1	-70.8	0	0	0	114.4	D314 L315 L316 V320 S321 R322	D314-N318 PolarHBondContact O-N 2.93Å; D314-N318 VanDerWaalsContact O-N 3.13Å; D314-N318 PolarHBondContact O-ND2 2.61Å; D314-N318 PolarHBondContact OD1-ND2 3.21Å; L315-N318 CarbonylContact O-C 3.52Å; L315-N318 PolarHBondContact O-N 2.84Å; L316-N318 PolarHBondContact O-N 2.9Å; N318-V320 VanDerWaalsContact C-N 3.31Å; N318-V320 PolarHBondContact O-N 3.23Å; N318-S321 PolarHBondContact O-N 2.97Å; N318-S321 PolarHBondContact O-OG 2.99Å; N318-R322 HydrophobicContact CB-CG 4.09Å; N318-R322 WeakPolarHBondContact O-CB 3.36Å; N318-R322 WeakPolarHBondContact O-CG 3.44Å; N318-R322 PolarHBondContact O-N 3.05Å
319	A	98.3	Very high	97.3	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-52.7	-47.9	-174.9	0	0	0	0	0	112.4	D274 R277 L315 L316 R322 M323	D274-A319 HydrophobicContact CB-CB 4.39Å; D274-A319 WeakPolarHBondContact OD2-CB 3.46Å; R277-A319 HydrophobicContact CB-CB 4.04Å; L315-A319 WeakPolarHBondContact O-CA 3.38Å; L315-A319 PolarHBondContact O-N 3.43Å; L316-A319 PolarHBondContact O-N 3.34Å; A319-R322 PolarHBondContact O-N 3.4Å; A319-M323 PolarHBondContact O-N 3.06Å
320	V	97.2	Very high	97.4	Very high	77 Å²	77	59.7 Å²	59.7	47%	0.467	32%	0.316	S	S	.	.	H	α-helix	trans	-71.2	-35.7	-177.3	-179.1	0	0	0	0	112.6	R277 A281 N318 M323	R277-V320 HydrophobicContact CB-CG2 4.46Å; A281-V320 HydrophobicContact CB-CB 4.31Å; A281-V320 HydrophobicContact CB-CG1 3.62Å; A281-V320 HydrophobicContact CB-CG2 3.74Å; N318-V320 VanDerWaalsContact C-N 3.31Å; N318-V320 PolarHBondContact O-N 3.23Å; V320-M323 WeakPolarHBondContact O-CG 3.42Å
321	S	97.1	Very high	97.4	Very high	81 Å²	81	50.6 Å²	50.6	57%	0.566	28%	0.284	S	S	*	.	H	α-helix	trans	-72.7	-34.6	177.8	59.5	0	0	0	0	111.5	N318	N318-S321 PolarHBondContact O-N 2.97Å; N318-S321 PolarHBondContact O-OG 2.99Å
322	R	97.6	Very high	97.4	Very high	38 Å²	38	54.2 Å²	54.2	14%	0.143	29%	0.292	C	S	.	.	H	α-helix	trans	-79.2	-24.7	-179.7	-63.3	177.3	-36.7	97.7	4	113.5	S262 S264 D274 L315 N318 A319 L324 T325 D326	S262-R322 PolarHBondContact OG-NH1 3.3Å; S262-R322 PolarHBondContact OG-NH2 3.5Å; S264-R322 PolarHBondContact OG-NH1 2.98Å; S264-R322 VanDerWaalsContact OG-NH1 3.16Å; D274-R322 IonicContact OD2-NH2 2.76Å; D274-R322 PolarHBondContact OD2-NH2 3.13Å; L315-R322 VanDerWaalsContact CD2-CZ 3.49Å; L315-R322 PolarHBondContact O-NE 3.17Å; N318-R322 HydrophobicContact CB-CG 4.09Å; N318-R322 WeakPolarHBondContact O-CB 3.36Å; N318-R322 WeakPolarHBondContact O-CG 3.44Å; N318-R322 PolarHBondContact O-N 3.05Å; A319-R322 PolarHBondContact O-N 3.4Å; R322-L324 PolarHBondContact O-N 3.25Å; R322-T325 CarbonylContact O-C 3.57Å; R322-T325 PolarHBondContact O-N 2.87Å; R322-T325 PolarHBondContact O-OG1 3.41Å; R322-D326 HydrophobicContact CB-CB 4.27Å; R322-D326 IonicContact CZ-OD2 3.42Å; R322-D326 IonicContact NH1-OD2 2.82Å; R322-D326 PolarHBondContact NH1-OD2 3.08Å; R322-D326 IonicContact NH2-OD2 2.93Å; R322-D326 WeakPolarHBondContact O-CB 3.34Å; R322-D326 PolarHBondContact O-N 3.34Å
323	M	97.2	Very high	97.5	Very high	14 Å²	14	55.1 Å²	55.1	7%	0.069	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.4	-169.4	76.5	-177.2	-76.9	0	0	114.9	V258 N259 R278 A281 S282 A319 V320 T325	V258-M323 HydrophobicContact CB-CE 4.16Å; N259-M323 VanDerWaalsContact CB-O 3.28Å; N259-M323 WeakPolarHBondContact CB-O 3.49Å; N259-M323 PolarHBondContact ND2-O 3.03Å; R278-M323 HydrophobicContact CB-CE 3.87Å; R278-M323 HydrophobicContact CB-SD 4.18Å; R278-M323 HydrophobicContact CG-CB 3.83Å; R278-M323 HydrophobicContact CG-CE 4.17Å; R278-M323 HydrophobicContact CG-SD 4.1Å; A281-M323 HydrophobicContact CB-SD 4.35Å; S282-M323 WeakPolarHBondContact OG-CE 3.48Å; A319-M323 PolarHBondContact O-N 3.06Å; V320-M323 WeakPolarHBondContact O-CG 3.42Å; M323-T325 VanDerWaalsContact C-N 3.32Å
324	L	93.9	Very high	97.5	Very high	71 Å²	71	56.4 Å²	56.4	37%	0.372	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-19.6	177.4	-63.1	177.2	0	0	0	113.3	N39 R322 N329	N39-L324 WeakPolarHBondContact OD1-CD1 3.35Å; R322-L324 PolarHBondContact O-N 3.25Å; L324-N329 PolarHBondContact O-ND2 2.9Å
325	T	97	Very high	97.5	Very high	103 Å²	103	54.7 Å²	54.7	63%	0.632	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123	-10.8	-176.1	54.9	0	0	0	0	113.6	R322 M323 S330	R322-T325 CarbonylContact O-C 3.57Å; R322-T325 PolarHBondContact O-N 2.87Å; R322-T325 PolarHBondContact O-OG1 3.41Å; M323-T325 VanDerWaalsContact C-N 3.32Å; T325-S330 WeakPolarHBondContact O-CB 3.46Å; T325-S330 PolarHBondContact O-OG 3.14Å
326	D	97.8	Very high	97.4	Very high	14 Å²	14	56 Å²	56	8%	0.075	30%	0.298	C	S	.	.	S	Bend	trans	-122.5	103.3	179.1	178.6	26.7	0	0	0	110.8	S262 N263 S264 R278 R322 S330	S262-D326 WeakPolarHBondContact CB-OD2 3.28Å; S262-D326 PolarHBondContact OG-OD2 3.2Å; N263-D326 VanDerWaalsContact CB-OD1 3.25Å; N263-D326 WeakPolarHBondContact CB-OD1 3.29Å; N263-D326 PolarHBondContact N-OD1 3.43Å; N263-D326 PolarHBondContact N-OD2 2.86Å; N263-D326 PolarHBondContact ND2-OD1 3.42Å; S264-D326 PolarHBondContact OG-OD2 3.37Å; R278-D326 VanDerWaalsContact CZ-O 3.26Å; R278-D326 PolarHBondContact NH1-O 2.88Å; R278-D326 PolarHBondContact NH2-O 3.12Å; R278-D326 IonicContact NH2-OD2 2.61Å; R322-D326 HydrophobicContact CB-CB 4.27Å; R322-D326 IonicContact CZ-OD2 3.42Å; R322-D326 IonicContact NH1-OD2 2.82Å; R322-D326 PolarHBondContact NH1-OD2 3.08Å; R322-D326 IonicContact NH2-OD2 2.93Å; R322-D326 WeakPolarHBondContact O-CB 3.34Å; R322-D326 PolarHBondContact O-N 3.34Å; D326-S330 VanDerWaalsContact CA-OG 3.31Å; D326-S330 WeakPolarHBondContact CA-OG 3.45Å
327	G	98.5	Very high	97.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.308	C	S	.	.	S	Bend	trans	166.1	-140.5	177.4	0	0	0	0	0	113.9	N259 Y261 N263 N329 S330 V331	N259-G327 CarbonylContact O-C 3.55Å; N259-G327 WeakPolarHBondContact O-CA 3.45Å; Y261-G327 WeakPolarHBondContact O-CA 3.27Å; N263-G327 WeakPolarHBondContact ND2-CA 3.49Å; N263-G327 PolarHBondContact ND2-N 2.76Å; N263-G327 PolarHBondContact ND2-O 3.46Å; G327-N329 PolarHBondContact O-N 2.85Å; G327-S330 PolarHBondContact N-OG 2.8Å; G327-S330 PolarHBondContact O-N 3Å; G327-S330 VanDerWaalsContact O-N 3.11Å; G327-V331 PolarHBondContact O-N 2.94Å
328	L	98.4	Very high	97.4	Very high	11 Å²	11	55.5 Å²	55.5	6%	0.058	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-37.8	177.5	-70.3	171.1	0	0	0	112.8	L46 N183 F186 I187 F255 I256 N259 S330	L46-L328 HydrophobicContact CD2-CB 4.32Å; N183-L328 HydrophobicContact CB-CD2 3.95Å; F186-L328 HydrophobicContact CD1-CD1 4.24Å; F186-L328 HydrophobicContact CD1-CD2 4Å; F186-L328 HydrophobicContact CE1-CD1 4.19Å; I187-L328 HydrophobicContact CD1-CD2 4.01Å; I187-L328 HydrophobicContact CG1-CD2 3.89Å; F255-L328 HydrophobicContact CD1-CD1 3.92Å; F255-L328 HydrophobicContact CE1-CD1 3.94Å; F255-L328 HydrophobicContact CE1-CD2 3.93Å; F255-L328 HydrophobicContact CE1-CG 4.22Å; I256-L328 HydrophobicContact CG1-CD1 4.39Å; N259-L328 PolarHBondContact O-N 2.98Å; N259-L328 WeakPolarHBondContact OD1-CB 3.44Å; N259-L328 PolarHBondContact OD1-N 2.78Å; L328-S330 VanDerWaalsContact C-N 3.27Å; L328-S330 PolarHBondContact O-N 3Å
329	N	96.5	Very high	97.3	Very high	67 Å²	67	58 Å²	58	36%	0.358	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-10.9	-178.9	68.8	-4.2	0	0	0	115.1	L46 N259 L324 G327	L46-N329 HydrophobicContact CD2-CB 4.08Å; N259-N329 VanDerWaalsContact ND2-CG 3.29Å; N259-N329 PolarHBondContact ND2-OD1 3.35Å; N259-N329 PolarHBondContact OD1-N 3.45Å; N259-N329 PolarHBondContact OD1-OD1 2.96Å; L324-N329 PolarHBondContact O-ND2 2.9Å; G327-N329 PolarHBondContact O-N 2.85Å
330	S	97.4	Very high	97.1	Very high	44 Å²	44	62.3 Å²	62.3	31%	0.308	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.8	1.3	-175.1	60	0	0	0	0	114.2	N263 T325 D326 G327 L328 K332	N263-S330 PolarHBondContact ND2-OG 3.27Å; T325-S330 WeakPolarHBondContact O-CB 3.46Å; T325-S330 PolarHBondContact O-OG 3.14Å; D326-S330 VanDerWaalsContact CA-OG 3.31Å; D326-S330 WeakPolarHBondContact CA-OG 3.45Å; G327-S330 PolarHBondContact N-OG 2.8Å; G327-S330 PolarHBondContact O-N 3Å; G327-S330 VanDerWaalsContact O-N 3.11Å; L328-S330 VanDerWaalsContact C-N 3.27Å; L328-S330 PolarHBondContact O-N 3Å; S330-K332 PolarHBondContact O-N 2.92Å
331	V	97.6	Very high	96.8	Very high	18 Å²	18	62.7 Å²	62.7	11%	0.109	32%	0.319	C	S	.	.			trans	-66.9	117.7	176.9	65.7	0	0	0	0	111	R180 V184 I187 N263 G327 Y333	R180-V331 HydrophobicContact CG-CG2 3.65Å; V184-V331 HydrophobicContact CG2-CG2 3.77Å; I187-V331 HydrophobicContact CD1-CG1 3.4Å; I187-V331 VanDerWaalsContact CD1-CG1 3.4Å; N263-V331 PolarHBondContact ND2-N 2.98Å; G327-V331 PolarHBondContact O-N 2.94Å; V331-Y333 HydrophobicContact CG1-CD1 4.41Å; V331-Y333 HydrophobicContact CG1-CE1 4.31Å; V331-Y333 HydrophobicContact CG2-CD1 4.15Å
332	K	96.6	Very high	96.4	Very high	135 Å²	135	63.6 Å²	63.6	59%	0.587	31%	0.314	S	S	*	.			trans	-103.4	129.5	174.6	-57.7	-177.7	-179.3	178.5	0	111	R180 S330 E352	R180-K332 PolarHBondContact NH2-O 3.44Å; S330-K332 PolarHBondContact O-N 2.92Å; K332-E352 HydrophobicContact CB-CB 3.91Å; K332-E352 PolarHBondContact O-N 2.6Å
333	Y	98	Very high	96.1	Very high	40 Å²	40	62.6 Å²	62.6	16%	0.157	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	161.7	-179.2	67.5	-78.2	0	0	0	111	V184 I187 E188 K191 V331 V335 I349 S350	V184-Y333 HydrophobicContact CB-CD2 4.46Å; V184-Y333 HydrophobicContact CB-CG 4.49Å; V184-Y333 HydrophobicContact CG1-CD1 4.45Å; V184-Y333 HydrophobicContact CG1-CD2 3.58Å; V184-Y333 HydrophobicContact CG1-CE1 4.4Å; V184-Y333 HydrophobicContact CG1-CE2 3.53Å; V184-Y333 HydrophobicContact CG1-CG 4.07Å; V184-Y333 HydrophobicContact CG2-CD1 3.57Å; V184-Y333 HydrophobicContact CG2-CD2 4Å; V184-Y333 HydrophobicContact CG2-CE1 3.98Å; V184-Y333 HydrophobicContact CG2-CE2 4.39Å; V184-Y333 HydrophobicContact CG2-CG 3.57Å; I187-Y333 HydrophobicContact CD1-CE1 4.3Å; I187-Y333 WeakPolarHBondContact CG2-OH 3.25Å; E188-Y333 HydrophobicContact CG-CE2 4.18Å; E188-Y333 PolarHBondContact OE1-OH 3.35Å; K191-Y333 PolarHBondContact NZ-OH 2.98Å; V331-Y333 HydrophobicContact CG1-CD1 4.41Å; V331-Y333 HydrophobicContact CG1-CE1 4.31Å; V331-Y333 HydrophobicContact CG2-CD1 4.15Å; Y333-V335 HydrophobicContact CD2-CG2 4.41Å; Y333-V335 HydrophobicContact CE2-CG2 4.03Å; Y333-I349 HydrophobicContact CD2-CD1 4.3Å; Y333-I349 HydrophobicContact CD2-CG2 4.15Å; Y333-I349 HydrophobicContact CG-CG2 4.36Å; Y333-S350 CarbonylContact C-O 3.48Å; Y333-S350 VanDerWaalsContact CA-O 3.29Å; Y333-S350 WeakPolarHBondContact CA-O 3.2Å
334	K	98	Very high	96	Very high	129 Å²	129	63 Å²	63	56%	0.561	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.6	130.8	167.9	-76.6	174.1	172.8	135.6	0	110.1	S336 S350 E352	K334-S336 PolarHBondContact O-N 2.84Å; K334-S350 PolarHBondContact N-O 2.85Å; K334-S350 PolarHBondContact O-N 3.24Å; K334-E352 WeakPolarHBondContact CD-OE1 3.45Å; K334-E352 WeakPolarHBondContact CE-OE1 3.33Å; K334-E352 VanDerWaalsContact CG-OE1 3.31Å; K334-E352 WeakPolarHBondContact CG-OE1 3.46Å; K334-E352 IonicContact NZ-OE1 3.65Å; K334-E352 PolarHBondContact NZ-OE1 2.94Å
335	V	97.7	Very high	96.2	Very high	54 Å²	54	59.7 Å²	59.7	33%	0.327	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	108.9	165.8	-179.7	0	0	0	0	107.3	E188 Y333 F347 I349	E188-V335 HydrophobicContact CG-CG2 4.3Å; Y333-V335 HydrophobicContact CD2-CG2 4.41Å; Y333-V335 HydrophobicContact CE2-CG2 4.03Å; V335-F347 HydrophobicContact CG1-CD1 3.99Å; V335-F347 HydrophobicContact CG2-CD1 4.35Å; V335-I349 HydrophobicContact CB-CD1 4.46Å; V335-I349 HydrophobicContact CG2-CD1 3.93Å
336	S	97.5	Very high	96.2	Very high	50 Å²	50	55.8 Å²	55.8	35%	0.35	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	-40.3	178.2	-67.1	0	0	0	0	111.6	K171 K334 L348	K171-S336 VanDerWaalsContact CD-OG 3.23Å; K171-S336 WeakPolarHBondContact CD-OG 3.37Å; K334-S336 PolarHBondContact O-N 2.84Å; S336-L348 WeakPolarHBondContact CB-O 3.48Å; S336-L348 PolarHBondContact N-O 3.05Å
337	T	97.3	Very high	96.3	Very high	48 Å²	48	55.1 Å²	55.1	29%	0.294	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	160.2	170	-173.9	0	0	0	0	109	F339 L348	T337-F339 HydrophobicContact CG2-CD2 4.48Å; T337-F339 HydrophobicContact CG2-CE2 3.74Å; T337-F339 HydrophobicContact CG2-CZ 4.25Å; T337-F339 WeakPolarHBondContact OG1-CZ 3.38Å; T337-L348 HydrophobicContact CG2-CB 3.68Å; T337-L348 HydrophobicContact CG2-CD2 4.06Å; T337-L348 PolarHBondContact O-N 3.31Å
338	Y	97.1	Very high	96.3	Very high	114 Å²	114	56.9 Å²	56.9	45%	0.447	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	150.3	166.7	80.2	-84.2	0	0	0	110	E340 T345 Y346 F347	Y338-E340 HydrophobicContact CD2-CG 4.43Å; Y338-E340 HydrophobicContact CE2-CG 4.13Å; Y338-T345 HydrophobicContact CD2-CG2 4.44Å; Y338-Y346 CarbonylContact C-O 3.51Å; Y338-Y346 WeakPolarHBondContact CA-O 3.47Å; Y338-Y346 VanDerWaalsContact CB-O 3.3Å; Y338-Y346 WeakPolarHBondContact CB-O 3.48Å; Y338-F347 HydrophobicContact CG-CE1 4.2Å
339	F	95.7	Very high	96.3	Very high	110 Å²	110	56.4 Å²	56.4	48%	0.482	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	130.3	177.3	-60.9	-71.4	0	0	0	109.8	T337 K341 Y346	T337-F339 HydrophobicContact CG2-CD2 4.48Å; T337-F339 HydrophobicContact CG2-CE2 3.74Å; T337-F339 HydrophobicContact CG2-CZ 4.25Å; T337-F339 WeakPolarHBondContact OG1-CZ 3.38Å; F339-K341 HydrophobicContact CB-CG 4.48Å; F339-Y346 AromaticContact CD2-CD1 3.68Å; F339-Y346 HydrophobicContact CD2-CD1 3.68Å; F339-Y346 HydrophobicContact CD2-CE1 4.07Å; F339-Y346 HydrophobicContact CE2-CD1 4.46Å; F339-Y346 HydrophobicContact CE2-CE1 4.43Å; F339-Y346 PolarHBondContact N-O 3.24Å; F339-Y346 PolarHBondContact O-N 2.97Å
340	E	94.8	Very high	96.3	Very high	90 Å²	90	55.1 Å²	55.1	42%	0.421	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	113.8	169.6	-51.6	-166.5	127.4	0	0	108.4	L111 D112 R164 Y338 T345	L111-E340 WeakPolarHBondContact O-CB 3.46Å; D112-E340 HydrophobicContact CB-CB 3.99Å; D112-E340 HydrophobicContact CB-CG 4.28Å; R164-E340 IonicContact NH2-OE1 2.81Å; R164-E340 PolarHBondContact NH2-OE1 3.26Å; Y338-E340 HydrophobicContact CD2-CG 4.43Å; Y338-E340 HydrophobicContact CE2-CG 4.13Å; E340-T345 HydrophobicContact CG-CG2 4.34Å
341	K	92	Very high	96.3	Very high	86 Å²	86	54.4 Å²	54.4	37%	0.374	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	162.4	179.9	-66.2	171.2	174.1	-71.9	0	109	L111 D112 G113 F339 H343 Y344	L111-K341 CarbonylContact C-O 3.55Å; D112-K341 CarbonylContact C-O 3.42Å; D112-K341 WeakPolarHBondContact CA-O 3.45Å; D112-K341 PolarHBondContact N-O 3.22Å; D112-K341 VanDerWaalsContact N-O 3.11Å; G113-K341 PolarHBondContact N-O 3.09Å; F339-K341 HydrophobicContact CB-CG 4.48Å; K341-H343 PolarHBondContact O-N 3.27Å; K341-H343 VanDerWaalsContact O-N 3.11Å; K341-Y344 CarbonylContact C-O 3.55Å; K341-Y344 WeakPolarHBondContact CA-O 3.25Å; K341-Y344 HydrophobicContact CB-CE2 4.47Å; K341-Y344 WeakPolarHBondContact CB-O 3.45Å; K341-Y344 HydrophobicContact CD-CD2 4.15Å; K341-Y344 HydrophobicContact CD-CE1 4.5Å; K341-Y344 HydrophobicContact CD-CE2 3.38Å; K341-Y344 WeakPolarHBondContact CD-OH 3.23Å; K341-Y344 HydrophobicContact CG-CE2 4.47Å; K341-Y344 PolarHBondContact N-O 3.24Å; K341-Y344 PolarHBondContact O-N 3.04Å; K341-Y344 VanDerWaalsContact O-O 3.07Å
342	Q	87.5	Confident	95.9	Very high	99 Å²	99	59.7 Å²	59.7	46%	0.463	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-40.7	-177.8	-173.1	178.7	-1.9	0	0	113.4	Q109	Q109-Q342 WeakPolarHBondContact CB-O 3.48Å
343	H	91.8	Very high	95.9	Very high	17 Å²	17	56 Å²	56	8%	0.079	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-6	-173.6	-60.3	-56.7	0	0	0	115.1	I102 Q109 I153 I165 K341	I102-H343 VanDerWaalsContact CG2-NE2 3.35Å; I102-H343 WeakPolarHBondContact CG2-NE2 3.31Å; Q109-H343 PolarHBondContact NE2-ND1 3.11Å; Q109-H343 VanDerWaalsContact NE2-ND1 3.1Å; I153-H343 HydrophobicContact CD1-CB 3.9Å; I165-H343 WeakPolarHBondContact CB-O 3.33Å; K341-H343 PolarHBondContact O-N 3.27Å; K341-H343 VanDerWaalsContact O-N 3.11Å
344	Y	95.7	Very high	95.8	Very high	24 Å²	24	56.8 Å²	56.8	9%	0.094	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	157.5	-179.2	52.7	-90.7	0	0	0	111.4	D112 G113 W142 L149 I165 V167 K341	D112-Y344 CarbonylContact O-C 3.38Å; G113-Y344 VanDerWaalsContact CA-N 3.34Å; W142-Y344 HydrophobicContact CZ3-CE2 4.37Å; L149-Y344 HydrophobicContact CD1-CD1 3.62Å; L149-Y344 HydrophobicContact CD1-CE1 3.78Å; I165-Y344 CarbonylContact O-C 3.56Å; I165-Y344 VanDerWaalsContact O-CA 3.31Å; I165-Y344 WeakPolarHBondContact O-CA 3.35Å; V167-Y344 HydrophobicContact CB-CD2 3.74Å; V167-Y344 HydrophobicContact CB-CE2 4.16Å; V167-Y344 HydrophobicContact CB-CG 4.33Å; V167-Y344 HydrophobicContact CG2-CD1 4.18Å; V167-Y344 HydrophobicContact CG2-CD2 3.45Å; V167-Y344 VanDerWaalsContact CG2-CD2 3.45Å; V167-Y344 HydrophobicContact CG2-CE2 4.01Å; V167-Y344 HydrophobicContact CG2-CG 3.56Å; K341-Y344 CarbonylContact C-O 3.55Å; K341-Y344 WeakPolarHBondContact CA-O 3.25Å; K341-Y344 HydrophobicContact CB-CE2 4.47Å; K341-Y344 WeakPolarHBondContact CB-O 3.45Å; K341-Y344 HydrophobicContact CD-CD2 4.15Å; K341-Y344 HydrophobicContact CD-CE1 4.5Å; K341-Y344 HydrophobicContact CD-CE2 3.38Å; K341-Y344 WeakPolarHBondContact CD-OH 3.23Å; K341-Y344 HydrophobicContact CG-CE2 4.47Å; K341-Y344 PolarHBondContact N-O 3.24Å; K341-Y344 PolarHBondContact O-N 3.04Å; K341-Y344 VanDerWaalsContact O-O 3.07Å
345	T	97.4	Very high	95.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	121	162.7	-53.1	0	0	0	0	109.3	D112 R164 I165 F166 V167 Y338 E340 F347	D112-T345 PolarHBondContact O-N 3.45Å; D112-T345 VanDerWaalsContact O-N 3.17Å; D112-T345 PolarHBondContact O-OG1 3.37Å; R164-T345 PolarHBondContact NE-OG1 2.83Å; R164-T345 VanDerWaalsContact NE-OG1 3.12Å; R164-T345 PolarHBondContact NH2-OG1 3.09Å; I165-T345 PolarHBondContact O-N 2.68Å; F166-T345 WeakPolarHBondContact CA-O 3.43Å; V167-T345 PolarHBondContact N-O 3.02Å; Y338-T345 HydrophobicContact CD2-CG2 4.44Å; E340-T345 HydrophobicContact CG-CG2 4.34Å; T345-F347 HydrophobicContact CG2-CD2 4.23Å; T345-F347 HydrophobicContact CG2-CE2 3.4Å; T345-F347 HydrophobicContact CG2-CZ 3.81Å
346	Y	97.9	Very high	95.6	Very high	22 Å²	22	52.7 Å²	52.7	9%	0.086	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	140	179.7	170.2	-96	0	0	0	111.9	W142 V167 E169 Y338 F339 L348	W142-Y346 AromaticContact CH2-CD2 3.6Å; W142-Y346 HydrophobicContact CH2-CD2 3.6Å; W142-Y346 AromaticContact CH2-CE2 3.54Å; W142-Y346 HydrophobicContact CH2-CE2 3.54Å; W142-Y346 HydrophobicContact CZ2-CD2 4.12Å; W142-Y346 AromaticContact CZ2-CE2 3.55Å; W142-Y346 HydrophobicContact CZ2-CE2 3.55Å; V167-Y346 HydrophobicContact CB-CD2 4.45Å; V167-Y346 HydrophobicContact CG1-CD2 4.11Å; V167-Y346 CarbonylContact O-C 3.56Å; V167-Y346 WeakPolarHBondContact O-CA 3.24Å; E169-Y346 HydrophobicContact CB-CE2 3.73Å; E169-Y346 VanDerWaalsContact OE2-CE2 3.25Å; E169-Y346 WeakPolarHBondContact OE2-CE2 3.33Å; E169-Y346 VanDerWaalsContact OE2-CZ 3.28Å; E169-Y346 PolarHBondContact OE2-OH 2.98Å; Y338-Y346 CarbonylContact C-O 3.51Å; Y338-Y346 WeakPolarHBondContact CA-O 3.47Å; Y338-Y346 VanDerWaalsContact CB-O 3.3Å; Y338-Y346 WeakPolarHBondContact CB-O 3.48Å; F339-Y346 AromaticContact CD2-CD1 3.68Å; F339-Y346 HydrophobicContact CD2-CD1 3.68Å; F339-Y346 HydrophobicContact CD2-CE1 4.07Å; F339-Y346 HydrophobicContact CE2-CD1 4.46Å; F339-Y346 HydrophobicContact CE2-CE1 4.43Å; F339-Y346 PolarHBondContact N-O 3.24Å; F339-Y346 PolarHBondContact O-N 2.97Å; Y346-L348 HydrophobicContact CE1-CB 3.94Å
347	F	98.4	Very high	95.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	129.8	173.1	-69	-94.5	0	0	0	111.4	F166 V167 I168 E169 E188 R192 V335 Y338 T345 I349	F166-F347 AromaticContact CD1-CE2 3.96Å; F166-F347 HydrophobicContact CD1-CE2 3.96Å; V167-F347 PolarHBondContact O-N 3.26Å; I168-F347 HydrophobicContact CD1-CB 3.98Å; I168-F347 HydrophobicContact CD1-CD2 3.72Å; I168-F347 HydrophobicContact CD1-CG 4.11Å; E169-F347 PolarHBondContact N-O 3.08Å; E188-F347 HydrophobicContact CB-CD1 4.36Å; E188-F347 HydrophobicContact CB-CE1 3.95Å; E188-F347 HydrophobicContact CB-CE2 4.37Å; E188-F347 HydrophobicContact CB-CZ 3.97Å; E188-F347 HydrophobicContact CG-CD1 4.17Å; E188-F347 HydrophobicContact CG-CE1 4.03Å; E188-F347 WeakPolarHBondContact OE2-CE1 3.42Å; R192-F347 VanDerWaalsContact CZ-CZ 3.4Å; V335-F347 HydrophobicContact CG1-CD1 3.99Å; V335-F347 HydrophobicContact CG2-CD1 4.35Å; Y338-F347 HydrophobicContact CG-CE1 4.2Å; T345-F347 HydrophobicContact CG2-CD2 4.23Å; T345-F347 HydrophobicContact CG2-CE2 3.4Å; T345-F347 HydrophobicContact CG2-CZ 3.81Å; F347-I349 HydrophobicContact CB-CD1 3.82Å; F347-I349 HydrophobicContact CB-CG1 4.13Å; F347-I349 HydrophobicContact CD1-CD1 4.44Å
348	L	98.4	Very high	95.3	Very high	37 Å²	37	53.2 Å²	53.2	19%	0.194	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	115	165.5	-175.3	63.9	0	0	0	109.3	E169 K171 S336 T337 Y346	E169-L348 HydrophobicContact CB-CD1 4.36Å; E169-L348 HydrophobicContact CG-CD1 4.14Å; K171-L348 HydrophobicContact CB-CD1 3.93Å; K171-L348 HydrophobicContact CB-CG 4.05Å; K171-L348 HydrophobicContact CD-CD2 4.4Å; K171-L348 HydrophobicContact CG-CD1 4.44Å; K171-L348 HydrophobicContact CG-CD2 4.37Å; K171-L348 HydrophobicContact CG-CG 4.37Å; S336-L348 WeakPolarHBondContact CB-O 3.48Å; S336-L348 PolarHBondContact N-O 3.05Å; T337-L348 HydrophobicContact CG2-CB 3.68Å; T337-L348 HydrophobicContact CG2-CD2 4.06Å; T337-L348 PolarHBondContact O-N 3.31Å; Y346-L348 HydrophobicContact CE1-CB 3.94Å
349	I	98.4	Very high	95.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	123.4	-170	-58.7	-56	0	0	0	111	I168 E169 K171 L181 V184 Y333 V335 F347 L351	I168-I349 HydrophobicContact CG2-CG1 3.66Å; E169-I349 PolarHBondContact O-N 2.94Å; K171-I349 WeakPolarHBondContact CB-O 3.41Å; K171-I349 PolarHBondContact N-O 3.3Å; L181-I349 HydrophobicContact CD2-CB 3.97Å; L181-I349 HydrophobicContact CD2-CG2 4.05Å; V184-I349 HydrophobicContact CG1-CD1 3.66Å; V184-I349 HydrophobicContact CG1-CG1 3.78Å; V184-I349 HydrophobicContact CG1-CG2 4.06Å; V184-I349 HydrophobicContact CG2-CG2 4.33Å; Y333-I349 HydrophobicContact CD2-CD1 4.3Å; Y333-I349 HydrophobicContact CD2-CG2 4.15Å; Y333-I349 HydrophobicContact CG-CG2 4.36Å; V335-I349 HydrophobicContact CB-CD1 4.46Å; V335-I349 HydrophobicContact CG2-CD1 3.93Å; F347-I349 HydrophobicContact CB-CD1 3.82Å; F347-I349 HydrophobicContact CB-CG1 4.13Å; F347-I349 HydrophobicContact CD1-CD1 4.44Å; I349-L351 HydrophobicContact CG2-CD2 3.93Å
350	S	97.8	Very high	95.1	Very high	40 Å²	40	44.2 Å²	44.2	28%	0.28	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	118.8	164.9	-166.3	0	0	0	0	108.9	Y333 K334	Y333-S350 CarbonylContact C-O 3.48Å; Y333-S350 VanDerWaalsContact CA-O 3.29Å; Y333-S350 WeakPolarHBondContact CA-O 3.2Å; K334-S350 PolarHBondContact N-O 2.85Å; K334-S350 PolarHBondContact O-N 3.24Å
351	L	96.2	Very high	95.2	Very high	30 Å²	30	40.3 Å²	40.3	16%	0.157	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	138.3	172.2	-59.2	177.8	0	0	0	109.4	Q170 N177 R180 L181 W266 I349	Q170-L351 HydrophobicContact CG-CD1 3.95Å; Q170-L351 HydrophobicContact CG-CG 4.23Å; N177-L351 HydrophobicContact CB-CD1 3.93Å; R180-L351 HydrophobicContact CG-CD2 3.88Å; L181-L351 HydrophobicContact CD2-CD2 4.06Å; L181-L351 HydrophobicContact CD2-CG 4.44Å; W266-L351 HydrophobicContact CH2-CD1 4.11Å; W266-L351 HydrophobicContact CZ3-CD1 4.3Å; I349-L351 HydrophobicContact CG2-CD2 3.93Å
352	E	90.7	Very high	95.5	Very high	129 Å²	129	36.2 Å²	36.2	60%	0.603	18%	0.178	S	C	*	.			trans	-104.3	0	-179.3	-61.8	-168.4	146	0	0	114.1	R180 K332 K334	R180-E352 VanDerWaalsContact CZ-O 3.32Å; R180-E352 PolarHBondContact NH1-O 3.27Å; R180-E352 VanDerWaalsContact NH1-O 3.1Å; R180-E352 PolarHBondContact NH2-O 3.13Å; K332-E352 HydrophobicContact CB-CB 3.91Å; K332-E352 PolarHBondContact O-N 2.6Å; K334-E352 WeakPolarHBondContact CD-OE1 3.45Å; K334-E352 WeakPolarHBondContact CE-OE1 3.33Å; K334-E352 VanDerWaalsContact CG-OE1 3.31Å; K334-E352 WeakPolarHBondContact CG-OE1 3.46Å; K334-E352 IonicContact NZ-OE1 3.65Å; K334-E352 PolarHBondContact NZ-OE1 2.94Å

Retrieved 352 of 352 residues in 847.7 ms (Link to these results)

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