A0A5K4F747_SCHMA Loading...

Beta-1,4-galactosyltransferase

Catalyses the transfer of galactose onto proteins or lipids.

AlphaFold DB , UniProt , Accession A0A5K4F747, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 352 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.2	Low	64.1	Low	231 Å²	231	150 Å²	150	100%	1.138	72%	0.723	S	S	*	*				0	-7.1	0	-132.4	163.3	88.1	0	0	115.4
2	F	53.4	Low	65.8	Low	191 Å²	191	151 Å²	151	84%	0.838	72%	0.716	S	S	*	*			trans	-81.2	-20.8	-175.5	-90.7	-89.3	0	0	0	116.6
3	S	55.6	Low	67.2	Low	106 Å²	106	149.5 Å²	149.5	74%	0.741	70%	0.7	S	S	*	*	H	α-helix	trans	-70	-35.4	-175.5	-171.8	0	0	0	0	113.9	K5 K6	S3-K5 VanDerWaalsContact C-N 3.32Å; S3-K5 PolarHBondContact O-N 3.09Å; S3-K6 PolarHBondContact O-N 3.38Å
4	K	56.1	Low	68.4	Low	189 Å²	189	142.9 Å²	142.9	82%	0.822	68%	0.684	S	S	*	*	H	α-helix	trans	-64.4	-30	-179.8	-86.2	-175.2	173.8	-179	0	113.7	S8	K4-S8 PolarHBondContact O-N 3.41Å
5	K	56.6	Low	69.5	Low	169 Å²	169	140.2 Å²	140.2	74%	0.735	67%	0.674	S	S	*	*	H	α-helix	trans	-68.9	-35.4	178.7	-93.7	-174	175.3	-178	0	113.1	S3 S8 F9	S3-K5 VanDerWaalsContact C-N 3.32Å; S3-K5 PolarHBondContact O-N 3.09Å; K5-S8 PolarHBondContact O-N 2.99Å; K5-F9 PolarHBondContact O-N 3.01Å
6	K	59.5	Low	70.5	Confident	172 Å²	172	135.4 Å²	135.4	75%	0.748	66%	0.659	S	S	*	*	H	α-helix	trans	-68.3	-34.4	179.1	-108.5	-179.4	179	178	0	112.7	S3 R10	S3-K6 PolarHBondContact O-N 3.38Å; K6-R10 PolarHBondContact O-N 3.22Å
7	S	67.8	Low	71.4	Confident	69 Å²	69	134.3 Å²	134.3	48%	0.483	65%	0.65	S	S	.	*	H	α-helix	trans	-66.6	-46.8	176.1	169	0	0	0	0	111.6	F9 R10 I11	S7-F9 VanDerWaalsContact C-N 3.31Å; S7-F9 PolarHBondContact O-N 3.38Å; S7-R10 PolarHBondContact O-N 3Å; S7-I11 WeakPolarHBondContact O-CG1 3.22Å; S7-I11 PolarHBondContact O-N 2.78Å; S7-I11 VanDerWaalsContact O-N 3.1Å
8	S	73	Confident	72.3	Confident	80 Å²	80	129.4 Å²	129.4	56%	0.559	64%	0.636	S	S	*	*	H	α-helix	trans	-59.9	-40	178.2	178.7	0	0	0	0	112.4	K4 K5 R10 I11 Y12	K4-S8 PolarHBondContact O-N 3.41Å; K5-S8 PolarHBondContact O-N 2.99Å; S8-R10 PolarHBondContact O-N 2.81Å; S8-I11 PolarHBondContact O-N 2.88Å; S8-Y12 WeakPolarHBondContact O-CB 3.3Å; S8-Y12 PolarHBondContact O-N 3.48Å
9	F	75.1	Confident	73.1	Confident	145 Å²	145	126.1 Å²	126.1	64%	0.636	62%	0.623	S	S	*	*	H	α-helix	trans	-65.9	-37.9	177.8	-162.3	-96.9	0	0	0	113.1	K5 S7 Y12 Y13	K5-F9 PolarHBondContact O-N 3.01Å; S7-F9 VanDerWaalsContact C-N 3.31Å; S7-F9 PolarHBondContact O-N 3.38Å; F9-Y12 PolarHBondContact O-N 3.48Å; F9-Y13 WeakPolarHBondContact O-CB 3.45Å; F9-Y13 PolarHBondContact O-N 3.48Å
10	R	77.6	Confident	73.8	Confident	203 Å²	203	121.7 Å²	121.7	77%	0.766	61%	0.612	S	S	*	*	H	α-helix	trans	-66.2	-40.9	175.4	-78.2	-173.8	175.6	-176.9	-1.3	112.2	K6 S7 S8 Y13 A14	K6-R10 PolarHBondContact O-N 3.22Å; S7-R10 PolarHBondContact O-N 3Å; S8-R10 PolarHBondContact O-N 2.81Å; R10-Y13 PolarHBondContact O-N 2.93Å; R10-A14 WeakPolarHBondContact O-CB 3.16Å; R10-A14 PolarHBondContact O-N 3.13Å
11	I	79.6	Confident	74.5	Confident	95 Å²	95	121.7 Å²	121.7	49%	0.487	61%	0.613	S	S	.	*	H	α-helix	trans	-64.3	-46.3	176.6	-65.3	167.3	0	0	0	109.9	S7 S8 Y13 A14 I15	S7-I11 WeakPolarHBondContact O-CG1 3.22Å; S7-I11 PolarHBondContact O-N 2.78Å; S7-I11 VanDerWaalsContact O-N 3.1Å; S8-I11 PolarHBondContact O-N 2.88Å; I11-Y13 PolarHBondContact O-N 3.24Å; I11-A14 PolarHBondContact O-N 3.35Å; I11-I15 HydrophobicContact CG2-CD1 3.75Å; I11-I15 HydrophobicContact CG2-CG1 4.39Å; I11-I15 WeakPolarHBondContact O-CG1 3.45Å; I11-I15 PolarHBondContact O-N 2.94Å
12	Y	84.2	Confident	76.3	Confident	162 Å²	162	115.2 Å²	115.2	64%	0.635	58%	0.582	S	S	*	*	H	α-helix	trans	-58.8	-44.8	176.6	-178	-96.4	0	0	0	112.3	S8 F9 A14 I15 S16	S8-Y12 WeakPolarHBondContact O-CB 3.3Å; S8-Y12 PolarHBondContact O-N 3.48Å; F9-Y12 PolarHBondContact O-N 3.48Å; Y12-A14 PolarHBondContact O-N 3.35Å; Y12-I15 PolarHBondContact O-N 3.38Å; Y12-S16 VanDerWaalsContact O-CB 3.31Å; Y12-S16 WeakPolarHBondContact O-CB 3.37Å; Y12-S16 PolarHBondContact O-N 3.49Å
13	Y	83.9	Confident	78	Confident	131 Å²	131	112.9 Å²	112.9	51%	0.514	57%	0.572	S	S	.	*	H	α-helix	trans	-64.5	-38.6	177.2	-173.1	-101.3	0	0	0	112.7	F9 R10 I11 K17	F9-Y13 WeakPolarHBondContact O-CB 3.45Å; F9-Y13 PolarHBondContact O-N 3.48Å; R10-Y13 PolarHBondContact O-N 2.93Å; I11-Y13 PolarHBondContact O-N 3.24Å; Y13-K17 HydrophobicContact CD1-CD 4.29Å; Y13-K17 HydrophobicContact CE1-CD 3.72Å; Y13-K17 HydrophobicContact CE1-CG 4.27Å; Y13-K17 VanDerWaalsContact CZ-CE 3.4Å; Y13-K17 PolarHBondContact O-N 3.1Å; Y13-K17 WeakPolarHBondContact OH-CE 3.47Å; Y13-K17 PolarHBondContact OH-NZ 3.22Å
14	A	83.5	Confident	79.7	Confident	58 Å²	58	111.1 Å²	111.1	48%	0.479	56%	0.559	S	S	.	*	H	α-helix	trans	-65.8	-43.7	175.7	0	0	0	0	0	112.1	R10 I11 Y12 K17 A18	R10-A14 WeakPolarHBondContact O-CB 3.16Å; R10-A14 PolarHBondContact O-N 3.13Å; I11-A14 PolarHBondContact O-N 3.35Å; Y12-A14 PolarHBondContact O-N 3.35Å; A14-K17 PolarHBondContact O-N 3.17Å; A14-A18 WeakPolarHBondContact O-CB 3.33Å; A14-A18 PolarHBondContact O-N 3.42Å
15	I	85.5	Confident	81.2	Confident	102 Å²	102	105.7 Å²	105.7	52%	0.523	54%	0.541	S	S	.	.	H	α-helix	trans	-63.4	-46.1	175.4	-66.3	169.1	0	0	0	110.2	I11 Y12 K17 A18 V19	I11-I15 HydrophobicContact CG2-CD1 3.75Å; I11-I15 HydrophobicContact CG2-CG1 4.39Å; I11-I15 WeakPolarHBondContact O-CG1 3.45Å; I11-I15 PolarHBondContact O-N 2.94Å; Y12-I15 PolarHBondContact O-N 3.38Å; I15-K17 VanDerWaalsContact C-N 3.34Å; I15-K17 PolarHBondContact O-N 3.25Å; I15-A18 PolarHBondContact O-N 3.33Å; I15-V19 HydrophobicContact CG2-CG2 4.22Å; I15-V19 WeakPolarHBondContact O-CB 3.47Å; I15-V19 VanDerWaalsContact O-CG2 3.3Å; I15-V19 WeakPolarHBondContact O-CG2 3.05Å; I15-V19 PolarHBondContact O-N 3.3Å
16	S	85.8	Confident	82.7	Confident	64 Å²	64	101.2 Å²	101.2	45%	0.448	53%	0.525	S	S	.	.	H	α-helix	trans	-59.9	-41.5	178.1	179.3	0	0	0	0	112.2	Y12 G20	Y12-S16 VanDerWaalsContact O-CB 3.31Å; Y12-S16 WeakPolarHBondContact O-CB 3.37Å; Y12-S16 PolarHBondContact O-N 3.49Å; S16-G20 PolarHBondContact O-N 3.4Å
17	K	85.1	Confident	84.1	Confident	116 Å²	116	99.1 Å²	99.1	50%	0.504	52%	0.516	S	S	.	.	H	α-helix	trans	-63.6	-43.9	172.8	-85.9	-169.4	167.5	178.1	0	113	Y13 A14 I15 G20 L21	Y13-K17 HydrophobicContact CD1-CD 4.29Å; Y13-K17 HydrophobicContact CE1-CD 3.72Å; Y13-K17 HydrophobicContact CE1-CG 4.27Å; Y13-K17 VanDerWaalsContact CZ-CE 3.4Å; Y13-K17 PolarHBondContact O-N 3.1Å; Y13-K17 WeakPolarHBondContact OH-CE 3.47Å; Y13-K17 PolarHBondContact OH-NZ 3.22Å; A14-K17 PolarHBondContact O-N 3.17Å; I15-K17 VanDerWaalsContact C-N 3.34Å; I15-K17 PolarHBondContact O-N 3.25Å; K17-G20 PolarHBondContact O-N 3.06Å; K17-L21 WeakPolarHBondContact O-CG 3.4Å; K17-L21 PolarHBondContact O-N 2.9Å
18	A	87.2	Confident	85.1	Confident	47 Å²	47	100.8 Å²	100.8	39%	0.388	52%	0.519	S	S	.	.	H	α-helix	trans	-63.5	-44	178.4	0	0	0	0	0	111.4	A14 I15 L21 I22	A14-A18 WeakPolarHBondContact O-CB 3.33Å; A14-A18 PolarHBondContact O-N 3.42Å; I15-A18 PolarHBondContact O-N 3.33Å; A18-L21 PolarHBondContact O-N 3.42Å; A18-I22 VanDerWaalsContact O-CG1 3.29Å; A18-I22 WeakPolarHBondContact O-CG1 3.26Å; A18-I22 PolarHBondContact O-N 2.04Å
19	V	88.3	Confident	85.7	Confident	65 Å²	65	101.6 Å²	101.6	39%	0.394	52%	0.517	S	S	.	.	H	α-helix	trans	-61.5	-44.9	174.4	171.5	0	0	0	0	110.8	I15 L21 I22 F23	I15-V19 HydrophobicContact CG2-CG2 4.22Å; I15-V19 WeakPolarHBondContact O-CB 3.47Å; I15-V19 VanDerWaalsContact O-CG2 3.3Å; I15-V19 WeakPolarHBondContact O-CG2 3.05Å; I15-V19 PolarHBondContact O-N 3.3Å; V19-L21 PolarHBondContact O-N 3.01Å; V19-I22 PolarHBondContact O-N 3.37Å; V19-F23 HydrophobicContact CG1-CD2 3.55Å; V19-F23 HydrophobicContact CG1-CE2 3.41Å; V19-F23 VanDerWaalsContact CG1-CE2 3.41Å; V19-F23 VanDerWaalsContact O-CD2 3.22Å; V19-F23 WeakPolarHBondContact O-CD2 3.33Å; V19-F23 PolarHBondContact O-N 3.45Å
20	G	87	Confident	85.8	Confident	39 Å²	39	100.1 Å²	100.1	40%	0.402	51%	0.512	S	S	.	.	H	α-helix	trans	-60.7	-40	175.6	0	0	0	0	0	113.6	S16 K17 C24	S16-G20 PolarHBondContact O-N 3.4Å; K17-G20 PolarHBondContact O-N 3.06Å; G20-C24 WeakPolarHBondContact O-CB 3.04Å; G20-C24 PolarHBondContact O-N 3.16Å
21	L	88.5	Confident	85.9	Confident	121 Å²	121	93.3 Å²	93.3	63%	0.634	49%	0.49	S	S	*	.	H	α-helix	trans	-65.3	-42.7	174.4	-80	162.2	0	0	0	111.9	K17 A18 V19 C24 T25	K17-L21 WeakPolarHBondContact O-CG 3.4Å; K17-L21 PolarHBondContact O-N 2.9Å; A18-L21 PolarHBondContact O-N 3.42Å; V19-L21 PolarHBondContact O-N 3.01Å; L21-C24 PolarHBondContact O-N 3.3Å; L21-T25 WeakPolarHBondContact O-CG2 3.4Å; L21-T25 PolarHBondContact O-N 3.22Å; L21-T25 PolarHBondContact O-OG1 3.35Å
22	I	89.6	Confident	85.9	Confident	96 Å²	96	95.8 Å²	95.8	49%	0.492	49%	0.494	S	S	.	.	H	α-helix	trans	-63.7	-44.2	176.6	-67.9	165	0	0	0	111	A18 V19 C24 T25 I26	A18-I22 VanDerWaalsContact O-CG1 3.29Å; A18-I22 WeakPolarHBondContact O-CG1 3.26Å; A18-I22 PolarHBondContact O-N 2.04Å; V19-I22 PolarHBondContact O-N 3.37Å; I22-C24 VanDerWaalsContact C-N 3.31Å; I22-C24 PolarHBondContact O-N 2.8Å; I22-T25 WeakPolarHBondContact CA-OG1 3.35Å; I22-T25 PolarHBondContact O-N 2.96Å; I22-T25 PolarHBondContact O-OG1 3.39Å; I22-I26 HydrophobicContact CG2-CD1 3.7Å; I22-I26 HydrophobicContact CG2-CG1 4.37Å; I22-I26 WeakPolarHBondContact O-CB 3.43Å; I22-I26 VanDerWaalsContact O-CG1 3.25Å; I22-I26 WeakPolarHBondContact O-CG1 3.35Å; I22-I26 PolarHBondContact O-N 3.37Å
23	F	89.6	Confident	85.3	Confident	142 Å²	142	94.2 Å²	94.2	62%	0.623	49%	0.491	S	S	*	.	H	α-helix	trans	-62.9	-39.1	174.9	-82.9	-67.7	0	0	0	111.9	V19 I26 F27	V19-F23 HydrophobicContact CG1-CD2 3.55Å; V19-F23 HydrophobicContact CG1-CE2 3.41Å; V19-F23 VanDerWaalsContact CG1-CE2 3.41Å; V19-F23 VanDerWaalsContact O-CD2 3.22Å; V19-F23 WeakPolarHBondContact O-CD2 3.33Å; V19-F23 PolarHBondContact O-N 3.45Å; F23-I26 PolarHBondContact O-N 2.78Å; F23-F27 VanDerWaalsContact O-CB 3.23Å; F23-F27 WeakPolarHBondContact O-CB 3.28Å; F23-F27 PolarHBondContact O-N 3.44Å
24	C	89.3	Confident	84.4	Confident	69 Å²	69	94.3 Å²	94.3	47%	0.466	50%	0.498	S	S	.	.	H	α-helix	trans	-65	-42.9	176.6	-163.8	0	0	0	0	111.8	G20 L21 I22 F27 L28	G20-C24 WeakPolarHBondContact O-CB 3.04Å; G20-C24 PolarHBondContact O-N 3.16Å; L21-C24 PolarHBondContact O-N 3.3Å; I22-C24 VanDerWaalsContact C-N 3.31Å; I22-C24 PolarHBondContact O-N 2.8Å; C24-F27 PolarHBondContact O-N 3.32Å; C24-L28 WeakPolarHBondContact O-CB 3.23Å; C24-L28 VanDerWaalsContact O-CG 3.25Å; C24-L28 WeakPolarHBondContact O-CG 3.44Å; C24-L28 PolarHBondContact O-N 3.49Å
25	T	88.8	Confident	83.7	Confident	74 Å²	74	99.9 Å²	99.9	45%	0.454	51%	0.506	S	S	.	.	H	α-helix	trans	-67.2	-41.7	176.6	56.1	0	0	0	0	112	L21 I22 L28 L29	L21-T25 WeakPolarHBondContact O-CG2 3.4Å; L21-T25 PolarHBondContact O-N 3.22Å; L21-T25 PolarHBondContact O-OG1 3.35Å; I22-T25 WeakPolarHBondContact CA-OG1 3.35Å; I22-T25 PolarHBondContact O-N 2.96Å; I22-T25 PolarHBondContact O-OG1 3.39Å; T25-L28 PolarHBondContact O-N 3.49Å; T25-L29 WeakPolarHBondContact O-CB 3.13Å; T25-L29 VanDerWaalsContact O-CG 3.26Å; T25-L29 WeakPolarHBondContact O-CG 3.47Å; T25-L29 PolarHBondContact O-N 3.18Å
26	I	89	Confident	82.4	Confident	76 Å²	76	97.5 Å²	97.5	39%	0.39	50%	0.497	S	S	.	.	H	α-helix	trans	-61.7	-44.1	174.2	-68.2	168.8	0	0	0	110.6	I22 F23 L29 Q30	I22-I26 HydrophobicContact CG2-CD1 3.7Å; I22-I26 HydrophobicContact CG2-CG1 4.37Å; I22-I26 WeakPolarHBondContact O-CB 3.43Å; I22-I26 VanDerWaalsContact O-CG1 3.25Å; I22-I26 WeakPolarHBondContact O-CG1 3.35Å; I22-I26 PolarHBondContact O-N 3.37Å; F23-I26 PolarHBondContact O-N 2.78Å; I26-L29 PolarHBondContact O-N 3.01Å; I26-Q30 HydrophobicContact CG2-CG 4.42Å; I26-Q30 WeakPolarHBondContact O-CB 3.23Å; I26-Q30 WeakPolarHBondContact O-CG 3.38Å; I26-Q30 PolarHBondContact O-N 3.22Å
27	F	88.8	Confident	81.2	Confident	127 Å²	127	98.3 Å²	98.3	56%	0.557	50%	0.499	S	S	*	.	H	α-helix	trans	-65.3	-41.4	179.1	-171.7	-107.2	0	0	0	112.1	F23 C24 Q30 I31	F23-F27 VanDerWaalsContact O-CB 3.23Å; F23-F27 WeakPolarHBondContact O-CB 3.28Å; F23-F27 PolarHBondContact O-N 3.44Å; C24-F27 PolarHBondContact O-N 3.32Å; F27-Q30 PolarHBondContact O-N 2.96Å; F27-I31 HydrophobicContact CD1-CD1 3.62Å; F27-I31 HydrophobicContact CD1-CG1 4.45Å; F27-I31 HydrophobicContact CE1-CD1 3.31Å; F27-I31 HydrophobicContact CE1-CG1 4.25Å; F27-I31 HydrophobicContact CG-CD1 4.45Å; F27-I31 HydrophobicContact CZ-CD1 3.89Å; F27-I31 HydrophobicContact CZ-CG1 4.46Å; F27-I31 WeakPolarHBondContact O-CG1 3.46Å; F27-I31 PolarHBondContact O-N 2.87Å
28	L	88	Confident	79.9	Confident	104 Å²	104	96.9 Å²	96.9	55%	0.545	50%	0.499	S	S	.	.	H	α-helix	trans	-64.3	-40.4	173.7	-72.2	172.4	0	0	0	112	C24 T25 I31 Y32	C24-L28 WeakPolarHBondContact O-CB 3.23Å; C24-L28 VanDerWaalsContact O-CG 3.25Å; C24-L28 WeakPolarHBondContact O-CG 3.44Å; C24-L28 PolarHBondContact O-N 3.49Å; T25-L28 PolarHBondContact O-N 3.49Å; L28-I31 PolarHBondContact O-N 3.49Å; L28-Y32 WeakPolarHBondContact O-CB 3.32Å; L28-Y32 PolarHBondContact O-N 3Å
29	L	85.5	Confident	78.5	Confident	98 Å²	98	100.2 Å²	100.2	51%	0.513	51%	0.505	S	S	.	.	H	α-helix	trans	-63.3	-43.5	173	-74.9	167.9	0	0	0	111.1	T25 I26 Y32 F33	T25-L29 WeakPolarHBondContact O-CB 3.13Å; T25-L29 VanDerWaalsContact O-CG 3.26Å; T25-L29 WeakPolarHBondContact O-CG 3.47Å; T25-L29 PolarHBondContact O-N 3.18Å; I26-L29 PolarHBondContact O-N 3.01Å; L29-Y32 WeakPolarHBondContact O-CB 3.45Å; L29-Y32 PolarHBondContact O-N 2.91Å; L29-F33 WeakPolarHBondContact O-CB 3.39Å; L29-F33 VanDerWaalsContact O-CD2 3.27Å; L29-F33 WeakPolarHBondContact O-CD2 3.35Å; L29-F33 PolarHBondContact O-N 3.36Å
30	Q	77.6	Confident	76.9	Confident	113 Å²	113	101.4 Å²	101.4	53%	0.528	50%	0.503	S	S	.	.	H	α-helix	trans	-62.7	-42.3	175.8	-77.9	-177.8	-23.9	0	0	112.1	I26 F27 Y32 F33 M34	I26-Q30 HydrophobicContact CG2-CG 4.42Å; I26-Q30 WeakPolarHBondContact O-CB 3.23Å; I26-Q30 WeakPolarHBondContact O-CG 3.38Å; I26-Q30 PolarHBondContact O-N 3.22Å; F27-Q30 PolarHBondContact O-N 2.96Å; Q30-Y32 VanDerWaalsContact C-N 3.33Å; Q30-F33 PolarHBondContact O-N 3.44Å; Q30-M34 VanDerWaalsContact O-CB 3.24Å; Q30-M34 WeakPolarHBondContact O-CB 3.34Å; Q30-M34 WeakPolarHBondContact O-CG 3.25Å; Q30-M34 PolarHBondContact O-N 3.27Å
31	I	79.3	Confident	75.4	Confident	60 Å²	60	102.5 Å²	102.5	31%	0.308	50%	0.502	S	S	.	.	H	α-helix	trans	-62.7	-42.5	173.5	-70.7	168.3	0	0	0	110.6	F27 L28 M34 R35	F27-I31 HydrophobicContact CD1-CD1 3.62Å; F27-I31 HydrophobicContact CD1-CG1 4.45Å; F27-I31 HydrophobicContact CE1-CD1 3.31Å; F27-I31 HydrophobicContact CE1-CG1 4.25Å; F27-I31 HydrophobicContact CG-CD1 4.45Å; F27-I31 HydrophobicContact CZ-CD1 3.89Å; F27-I31 HydrophobicContact CZ-CG1 4.46Å; F27-I31 WeakPolarHBondContact O-CG1 3.46Å; F27-I31 PolarHBondContact O-N 2.87Å; L28-I31 PolarHBondContact O-N 3.49Å; I31-M34 PolarHBondContact O-N 2.9Å; I31-R35 HydrophobicContact CG2-CG 4.38Å; I31-R35 VanDerWaalsContact O-CB 3.3Å; I31-R35 WeakPolarHBondContact O-CB 3.45Å; I31-R35 VanDerWaalsContact O-CG 3.31Å; I31-R35 WeakPolarHBondContact O-CG 3.31Å; I31-R35 PolarHBondContact O-N 2.92Å
32	Y	80.4	Confident	73.8	Confident	148 Å²	148	100 Å²	100	58%	0.58	49%	0.492	S	S	*	.	H	α-helix	trans	-61	-49.7	177.1	177.9	-96.5	0	0	0	111.2	L28 L29 Q30 R35 T36	L28-Y32 WeakPolarHBondContact O-CB 3.32Å; L28-Y32 PolarHBondContact O-N 3Å; L29-Y32 WeakPolarHBondContact O-CB 3.45Å; L29-Y32 PolarHBondContact O-N 2.91Å; Q30-Y32 VanDerWaalsContact C-N 3.33Å; Y32-R35 PolarHBondContact O-N 3.39Å; Y32-T36 HydrophobicContact CD1-CG2 4.44Å; Y32-T36 HydrophobicContact CE1-CG2 4.04Å; Y32-T36 HydrophobicContact CE2-CG2 4.29Å; Y32-T36 WeakPolarHBondContact O-CG2 3.29Å; Y32-T36 PolarHBondContact O-N 2.73Å; Y32-T36 PolarHBondContact O-OG1 3.42Å; Y32-T36 VanDerWaalsContact O-OG1 3.12Å
33	F	71.6	Confident	72.1	Confident	128 Å²	128	96.3 Å²	96.3	56%	0.561	47%	0.473	S	S	*	.	H	α-helix	trans	-61.4	-46.5	175.7	-89.3	-75.7	0	0	0	112.2	L29 Q30 R35 T36 T37	L29-F33 WeakPolarHBondContact O-CB 3.39Å; L29-F33 VanDerWaalsContact O-CD2 3.27Å; L29-F33 WeakPolarHBondContact O-CD2 3.35Å; L29-F33 PolarHBondContact O-N 3.36Å; Q30-F33 PolarHBondContact O-N 3.44Å; F33-R35 VanDerWaalsContact C-N 3.31Å; F33-R35 PolarHBondContact O-N 3.29Å; F33-T36 WeakPolarHBondContact CA-OG1 3.48Å; F33-T36 PolarHBondContact O-N 3.4Å; F33-T36 PolarHBondContact O-OG1 2.98Å; F33-T37 WeakPolarHBondContact O-CB 3.47Å; F33-T37 PolarHBondContact O-N 2.89Å; F33-T37 PolarHBondContact O-OG1 2.86Å
34	M	63.9	Low	70.2	Confident	134 Å²	134	93.6 Å²	93.6	66%	0.66	46%	0.462	S	S	*	.	H	α-helix	trans	-59.5	-43	175.7	-74.5	-87	-82.4	0	0	110.9	Q30 I31 V38	Q30-M34 VanDerWaalsContact O-CB 3.24Å; Q30-M34 WeakPolarHBondContact O-CB 3.34Å; Q30-M34 WeakPolarHBondContact O-CG 3.25Å; Q30-M34 PolarHBondContact O-N 3.27Å; I31-M34 PolarHBondContact O-N 2.9Å; M34-V38 VanDerWaalsContact O-CB 3.26Å; M34-V38 WeakPolarHBondContact O-CB 3.41Å; M34-V38 WeakPolarHBondContact O-CG2 3.43Å; M34-V38 PolarHBondContact O-N 3.17Å
35	R	68.5	Low	68.3	Low	174 Å²	174	95.5 Å²	95.5	66%	0.657	47%	0.468	S	S	*	.	H	α-helix	trans	-65.9	-40.6	176.8	-79.3	-178.6	172.8	-168	-1.3	112.4	I31 Y32 F33 K39	I31-R35 HydrophobicContact CG2-CG 4.38Å; I31-R35 VanDerWaalsContact O-CB 3.3Å; I31-R35 WeakPolarHBondContact O-CB 3.45Å; I31-R35 VanDerWaalsContact O-CG 3.31Å; I31-R35 WeakPolarHBondContact O-CG 3.31Å; I31-R35 PolarHBondContact O-N 2.92Å; Y32-R35 PolarHBondContact O-N 3.39Å; F33-R35 VanDerWaalsContact C-N 3.31Å; F33-R35 PolarHBondContact O-N 3.29Å; R35-K39 VanDerWaalsContact O-CB 3.31Å; R35-K39 WeakPolarHBondContact O-CB 3.39Å; R35-K39 WeakPolarHBondContact O-CG 3.05Å; R35-K39 PolarHBondContact O-N 3.44Å
36	T	59.7	Low	66.4	Low	53 Å²	53	94.8 Å²	94.8	33%	0.325	46%	0.461	S	S	.	.	H	α-helix	trans	-69.8	-42.8	177.6	50.2	0	0	0	0	111.4	Y32 F33 K39 Y40	Y32-T36 HydrophobicContact CD1-CG2 4.44Å; Y32-T36 HydrophobicContact CE1-CG2 4.04Å; Y32-T36 HydrophobicContact CE2-CG2 4.29Å; Y32-T36 WeakPolarHBondContact O-CG2 3.29Å; Y32-T36 PolarHBondContact O-N 2.73Å; Y32-T36 PolarHBondContact O-OG1 3.42Å; Y32-T36 VanDerWaalsContact O-OG1 3.12Å; F33-T36 WeakPolarHBondContact CA-OG1 3.48Å; F33-T36 PolarHBondContact O-N 3.4Å; F33-T36 PolarHBondContact O-OG1 2.98Å; T36-K39 PolarHBondContact O-N 3.31Å; T36-Y40 WeakPolarHBondContact O-CB 3.49Å; T36-Y40 PolarHBondContact O-N 3.34Å
37	T	60.5	Low	64.7	Low	81 Å²	81	92.4 Å²	92.4	50%	0.497	45%	0.45	S	S	.	.	H	α-helix	trans	-63.5	-47	175.6	-57.4	0	0	0	0	111.5	F33 K39 Y40 V41	F33-T37 WeakPolarHBondContact O-CB 3.47Å; F33-T37 PolarHBondContact O-N 2.89Å; F33-T37 PolarHBondContact O-OG1 2.86Å; T37-K39 VanDerWaalsContact C-N 3.34Å; T37-K39 PolarHBondContact O-N 2.91Å; T37-Y40 PolarHBondContact O-N 3.25Å; T37-V41 HydrophobicContact CG2-CG2 4.34Å; T37-V41 WeakPolarHBondContact O-CG2 3.47Å; T37-V41 PolarHBondContact O-N 3.44Å
38	V	57.4	Low	62.9	Low	85 Å²	85	90.2 Å²	90.2	52%	0.515	46%	0.455	S	S	.	.	H	α-helix	trans	-60.1	-46.3	176	169.7	0	0	0	0	110.1	M34 Y40 V41 T42	M34-V38 VanDerWaalsContact O-CB 3.26Å; M34-V38 WeakPolarHBondContact O-CB 3.41Å; M34-V38 WeakPolarHBondContact O-CG2 3.43Å; M34-V38 PolarHBondContact O-N 3.17Å; V38-Y40 VanDerWaalsContact C-N 3.3Å; V38-Y40 PolarHBondContact O-N 2.86Å; V38-V41 PolarHBondContact O-N 2.97Å; V38-T42 WeakPolarHBondContact O-CB 3.42Å; V38-T42 PolarHBondContact O-N 3.3Å; V38-T42 PolarHBondContact O-OG1 3.35Å
39	K	57.2	Low	61	Low	117 Å²	117	94.1 Å²	94.1	51%	0.509	47%	0.471	S	S	.	.	H	α-helix	trans	-56.8	-44.2	175.6	-79	177.6	177.9	-170.8	0	112	R35 T36 T37 T42 L43 L324	R35-K39 VanDerWaalsContact O-CB 3.31Å; R35-K39 WeakPolarHBondContact O-CB 3.39Å; R35-K39 WeakPolarHBondContact O-CG 3.05Å; R35-K39 PolarHBondContact O-N 3.44Å; T36-K39 PolarHBondContact O-N 3.31Å; T37-K39 VanDerWaalsContact C-N 3.34Å; T37-K39 PolarHBondContact O-N 2.91Å; K39-T42 PolarHBondContact O-N 2.99Å; K39-L43 WeakPolarHBondContact O-CB 3.31Å; K39-L43 PolarHBondContact O-N 2.8Å; K39-L324 HydrophobicContact CG-CD1 4.44Å
40	Y	54.8	Low	59.3	Low	90 Å²	90	92.7 Å²	92.7	35%	0.353	47%	0.473	S	S	.	.	H	α-helix	trans	-65	-45.5	179.6	-172.4	-92.6	0	0	0	112.3	T36 T37 V38 L43 Q44 Q257	T36-Y40 WeakPolarHBondContact O-CB 3.49Å; T36-Y40 PolarHBondContact O-N 3.34Å; T37-Y40 PolarHBondContact O-N 3.25Å; V38-Y40 VanDerWaalsContact C-N 3.3Å; V38-Y40 PolarHBondContact O-N 2.86Å; Y40-L43 PolarHBondContact O-N 3.5Å; Y40-Q44 HydrophobicContact CD1-CG 4.28Å; Y40-Q44 HydrophobicContact CE1-CG 3.94Å; Y40-Q44 VanDerWaalsContact CE1-NE2 3.32Å; Y40-Q44 PolarHBondContact O-N 2.97Å; Y40-Q44 PolarHBondContact OH-NE2 2.91Å; Y40-Q257 PolarHBondContact OH-NE2 3.3Å
41	V	55	Low	58.1	Low	62 Å²	62	87.8 Å²	87.8	38%	0.376	45%	0.451	S	S	.	.	H	α-helix	trans	-63.6	-43.3	176.5	173.2	0	0	0	0	111	T37 V38 L43 Q44 N45	T37-V41 HydrophobicContact CG2-CG2 4.34Å; T37-V41 WeakPolarHBondContact O-CG2 3.47Å; T37-V41 PolarHBondContact O-N 3.44Å; V38-V41 PolarHBondContact O-N 2.97Å; V41-L43 VanDerWaalsContact C-N 3.27Å; V41-L43 PolarHBondContact O-N 3.3Å; V41-Q44 PolarHBondContact O-N 2.98Å; V41-N45 WeakPolarHBondContact O-CB 3.35Å; V41-N45 PolarHBondContact O-N 3.2Å
42	T	54.5	Low	56.7	Low	68 Å²	68	88 Å²	88	42%	0.417	45%	0.452	S	S	.	.	H	α-helix	trans	-62.1	-38.5	176.3	-52.6	0	0	0	0	111.2	V38 K39 N45 L46	V38-T42 WeakPolarHBondContact O-CB 3.42Å; V38-T42 PolarHBondContact O-N 3.3Å; V38-T42 PolarHBondContact O-OG1 3.35Å; K39-T42 PolarHBondContact O-N 2.99Å; T42-N45 PolarHBondContact O-N 2.7Å; T42-L46 HydrophobicContact CG2-CD1 4.02Å; T42-L46 WeakPolarHBondContact O-CB 3.39Å; T42-L46 WeakPolarHBondContact O-CD1 3.37Å; T42-L46 WeakPolarHBondContact O-CG 3.29Å; T42-L46 PolarHBondContact O-N 2.68Å
43	L	53.9	Low	55	Low	19 Å²	19	85 Å²	85	10%	0.099	45%	0.451	C	S	.	.	H	α-helix	trans	-67.7	-44.6	177.6	-139.1	158.8	0	0	0	110.9	K39 Y40 V41 N45 L46 T47 Q257 M323 L324	K39-L43 WeakPolarHBondContact O-CB 3.31Å; K39-L43 PolarHBondContact O-N 2.8Å; Y40-L43 PolarHBondContact O-N 3.5Å; V41-L43 VanDerWaalsContact C-N 3.27Å; V41-L43 PolarHBondContact O-N 3.3Å; L43-N45 PolarHBondContact O-N 2.94Å; L43-L46 PolarHBondContact O-N 2.72Å; L43-T47 HydrophobicContact CD2-CG2 3.84Å; L43-T47 WeakPolarHBondContact O-CB 3.44Å; L43-T47 WeakPolarHBondContact O-CG2 3.31Å; L43-T47 PolarHBondContact O-N 2.83Å; L43-T47 PolarHBondContact O-OG1 2.97Å; L43-Q257 WeakPolarHBondContact CD2-O 3.43Å; L43-M323 HydrophobicContact CD1-CE 3.97Å; L43-M323 HydrophobicContact CD1-CG 4.43Å; L43-M323 HydrophobicContact CD1-SD 4.45Å; L43-L324 HydrophobicContact CB-CD2 4.16Å; L43-L324 HydrophobicContact CD1-CD2 3.38Å; L43-L324 HydrophobicContact CD1-CG 4.47Å; L43-L324 HydrophobicContact CG-CD2 3.64Å
44	Q	51.1	Low	53.4	Low	85 Å²	85	84.1 Å²	84.1	40%	0.397	46%	0.46	S	S	.	.	H	α-helix	trans	-60.7	-41.3	172.8	-77.5	-170.3	-36.6	0	0	113.1	Y40 V41 T47 A48	Y40-Q44 HydrophobicContact CD1-CG 4.28Å; Y40-Q44 HydrophobicContact CE1-CG 3.94Å; Y40-Q44 VanDerWaalsContact CE1-NE2 3.32Å; Y40-Q44 PolarHBondContact O-N 2.97Å; Y40-Q44 PolarHBondContact OH-NE2 2.91Å; V41-Q44 PolarHBondContact O-N 2.98Å; Q44-T47 VanDerWaalsContact CA-OG1 3.31Å; Q44-T47 WeakPolarHBondContact CA-OG1 3.33Å; Q44-T47 PolarHBondContact O-N 3.16Å; Q44-T47 PolarHBondContact O-OG1 3.38Å; Q44-A48 VanDerWaalsContact O-CB 3.31Å; Q44-A48 WeakPolarHBondContact O-CB 3.14Å; Q44-A48 PolarHBondContact O-N 2.83Å
45	N	48.9	Very low	52.1	Low	109 Å²	109	84.9 Å²	84.9	58%	0.583	47%	0.467	S	S	*	.	H	α-helix	trans	-69.7	-38.3	178.8	-73.2	-7.3	0	0	0	112.1	V41 T42 L43 T47	V41-N45 WeakPolarHBondContact O-CB 3.35Å; V41-N45 PolarHBondContact O-N 3.2Å; T42-N45 PolarHBondContact O-N 2.7Å; L43-N45 PolarHBondContact O-N 2.94Å; N45-T47 VanDerWaalsContact C-N 3.3Å; N45-T47 PolarHBondContact O-N 2.82Å
46	L	49.7	Very low	50.8	Low	59 Å²	59	79.7 Å²	79.7	31%	0.309	46%	0.455	S	S	.	.	H	α-helix	trans	-60	-45.1	171.7	-84	156.6	0	0	0	110.1	T42 L43 A50 I51	T42-L46 HydrophobicContact CG2-CD1 4.02Å; T42-L46 WeakPolarHBondContact O-CB 3.39Å; T42-L46 WeakPolarHBondContact O-CD1 3.37Å; T42-L46 WeakPolarHBondContact O-CG 3.29Å; T42-L46 PolarHBondContact O-N 2.68Å; L43-L46 PolarHBondContact O-N 2.72Å; L46-A50 PolarHBondContact O-N 3.32Å; L46-I51 VanDerWaalsContact O-CG1 3.32Å; L46-I51 WeakPolarHBondContact O-CG1 3.39Å
47	T	51.7	Low	49.8	Very low	26 Å²	26	82.5 Å²	82.5	16%	0.16	47%	0.472	C	S	.	.	H	α-helix	trans	-76.9	-29.6	-171.9	58.6	0	0	0	0	114.7	L43 Q44 N45 I51 I256	L43-T47 HydrophobicContact CD2-CG2 3.84Å; L43-T47 WeakPolarHBondContact O-CB 3.44Å; L43-T47 WeakPolarHBondContact O-CG2 3.31Å; L43-T47 PolarHBondContact O-N 2.83Å; L43-T47 PolarHBondContact O-OG1 2.97Å; Q44-T47 VanDerWaalsContact CA-OG1 3.31Å; Q44-T47 WeakPolarHBondContact CA-OG1 3.33Å; Q44-T47 PolarHBondContact O-N 3.16Å; Q44-T47 PolarHBondContact O-OG1 3.38Å; N45-T47 VanDerWaalsContact C-N 3.3Å; N45-T47 PolarHBondContact O-N 2.82Å; T47-I51 HydrophobicContact CG2-CD1 3.51Å; T47-I256 VanDerWaalsContact CB-CG2 3.44Å; T47-I256 HydrophobicContact CG2-CG2 3.87Å; T47-I256 WeakPolarHBondContact CG2-O 3.48Å; T47-I256 WeakPolarHBondContact O-CG2 3.31Å
48	A	50.9	Low	49	Very low	81 Å²	81	84.9 Å²	84.9	67%	0.669	49%	0.489	S	S	*	.	H	α-helix	trans	-76	-34.6	-176.7	0	0	0	0	0	113.8	Q44	Q44-A48 VanDerWaalsContact O-CB 3.31Å; Q44-A48 WeakPolarHBondContact O-CB 3.14Å; Q44-A48 PolarHBondContact O-N 2.83Å
49	E	49.3	Very low	48.5	Very low	186 Å²	186	88.1 Å²	88.1	87%	0.869	50%	0.503	S	S	*	.	H	α-helix	trans	-131.3	-11.5	-168	-68.3	-178.1	165.6	0	0	115.7
50	A	50.5	Low	48.6	Very low	68 Å²	68	87.7 Å²	87.7	56%	0.562	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.7	-10.3	-165.9	0	0	0	0	0	117.4	L46	L46-A50 PolarHBondContact O-N 3.32Å
51	I	51.4	Low	49.6	Very low	11 Å²	11	89.5 Å²	89.5	6%	0.056	53%	0.534	C	S	.	.	S	Bend	trans	-80.9	-19	-169.4	-73.6	178.3	0	0	0	114.4	L46 T47 P53 I256 L328 N329	L46-I51 VanDerWaalsContact O-CG1 3.32Å; L46-I51 WeakPolarHBondContact O-CG1 3.39Å; T47-I51 HydrophobicContact CG2-CD1 3.51Å; I51-P53 WeakPolarHBondContact O-CD 3.26Å; I51-I256 HydrophobicContact CD1-CG2 4.49Å; I51-L328 HydrophobicContact CG2-CB 3.38Å; I51-L328 HydrophobicContact CG2-CD1 4.27Å; I51-L328 HydrophobicContact CG2-CG 4.44Å; I51-N329 HydrophobicContact CD1-CB 4.44Å; I51-N329 HydrophobicContact CG1-CB 4.06Å
52	I	50.8	Low	51.3	Low	64 Å²	64	89.9 Å²	89.9	33%	0.328	53%	0.531	S	S	.	.	S	Bend	trans	-104.6	105.3	174.4	-53.6	177	0	0	0	106.4	S54	I52-S54 PolarHBondContact O-N 2.94Å; I52-S54 VanDerWaalsContact O-N 3.1Å
53	P	43.2	Very low	53.2	Low	86 Å²	86	88 Å²	88	56%	0.558	52%	0.517	S	S	*	.			trans	-52.7	124.6	174.5	-20.1	29.8	0	0	0	108	I51 N55	I51-P53 WeakPolarHBondContact O-CD 3.26Å; P53-N55 PolarHBondContact O-N 3.33Å
54	S	38.2	Very low	55.2	Low	108 Å²	108	88 Å²	88	76%	0.755	52%	0.518	S	S	*	.	S	Bend	trans	-66	23.5	176.4	57.8	0	0	0	0	113.4	I52 T56	I52-S54 PolarHBondContact O-N 2.94Å; I52-S54 VanDerWaalsContact O-N 3.1Å; S54-T56 PolarHBondContact O-N 3.23Å
55	N	38.1	Very low	57.4	Low	151 Å²	151	84 Å²	84	81%	0.807	50%	0.5	S	S	*	.			trans	-84.2	34.9	171.6	-82.5	0.7	0	0	0	111.9	P53	P53-N55 PolarHBondContact O-N 3.33Å
56	T	41	Very low	59.6	Low	65 Å²	65	83 Å²	83	40%	0.399	49%	0.488	S	S	.	.	S	Bend	trans	-84.9	117.4	159.7	29.8	0	0	0	0	107.8	S54 K191	S54-T56 PolarHBondContact O-N 3.23Å; T56-K191 HydrophobicContact CG2-CB 4.18Å; T56-K191 HydrophobicContact CG2-CD 3.8Å; T56-K191 HydrophobicContact CG2-CG 3.6Å
57	T	38.2	Very low	61.8	Low	112 Å²	112	82.7 Å²	82.7	69%	0.687	49%	0.488	S	S	*	.			trans	-42.6	125.7	162.3	40.9	0	0	0	0	109.2	D59	T57-D59 PolarHBondContact O-N 3.03Å
58	P	42.4	Very low	63.9	Low	131 Å²	131	81.4 Å²	81.4	85%	0.851	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	9.3	-169.9	-21.7	32.4	0	0	0	117
59	D	48.1	Very low	66	Low	152 Å²	152	77.6 Å²	77.6	81%	0.813	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.3	15.5	-157.7	-101.2	-21.3	0	0	0	116.4	T57	T57-D59 PolarHBondContact O-N 3.03Å
60	V	59.5	Low	68.1	Low	108 Å²	108	75.3 Å²	75.3	66%	0.655	44%	0.436	S	S	*	.			trans	-115.8	106.2	170.1	-172.6	0	0	0	0	109.5	K62	V60-K62 PolarHBondContact O-N 2.96Å
61	C	76.2	Confident	70.1	Confident	129 Å²	129	78 Å²	78	87%	0.872	44%	0.441	S	S	*	.			trans	-55.3	112.4	172.6	-75.7	0	0	0	0	109.8	Q63	C61-Q63 PolarHBondContact O-N 3.46Å
62	K	90.2	Very high	72	Confident	70 Å²	70	78.3 Å²	78.3	30%	0.304	44%	0.442	S	S	.	.			trans	-55.3	125.4	173.8	-170.7	-178.5	-178.4	-167.2	0	109.6	V60 R190 F193 D194	V60-K62 PolarHBondContact O-N 2.96Å; K62-R190 WeakPolarHBondContact CE-O 3.43Å; K62-F193 WeakPolarHBondContact CE-O 3.5Å; K62-D194 HydrophobicContact CD-CB 4.17Å; K62-D194 VanDerWaalsContact CE-N 3.35Å; K62-D194 HydrophobicContact CG-CB 4.48Å; K62-D194 IonicContact NZ-OD1 3.74Å; K62-D194 PolarHBondContact NZ-OD1 2.81Å
63	Q	94.6	Very high	73.9	Confident	27 Å²	27	81.7 Å²	81.7	13%	0.126	46%	0.461	C	S	.	.	B	Isolated β-bridge	trans	-65.2	137.3	176.3	-173.7	-175.6	56.9	0	0	109.9	C61 T67 I68 D112 S114 R192 F193 D194	C61-Q63 PolarHBondContact O-N 3.46Å; Q63-T67 WeakPolarHBondContact CG-OG1 3.18Å; Q63-I68 HydrophobicContact CG-CD1 4.05Å; Q63-I68 HydrophobicContact CG-CG1 3.63Å; Q63-D112 PolarHBondContact NE2-OD2 3.22Å; Q63-D112 PolarHBondContact OE1-OD2 2.83Å; Q63-S114 PolarHBondContact NE2-OG 3.5Å; Q63-S114 VanDerWaalsContact NE2-OG 3.15Å; Q63-R192 WeakPolarHBondContact CB-O 3.3Å; Q63-R192 PolarHBondContact N-O 2.77Å; Q63-F193 HydrophobicContact CB-CD2 4.3Å; Q63-F193 HydrophobicContact CG-CD2 4.34Å; Q63-F193 CarbonylContact O-C 3.52Å; Q63-F193 WeakPolarHBondContact O-CA 3.43Å; Q63-F193 WeakPolarHBondContact O-CD2 3.31Å; Q63-D194 PolarHBondContact O-N 3Å
64	T	96	Very high	76.2	Confident	19 Å²	19	79.6 Å²	79.6	12%	0.117	45%	0.449	C	S	.	.			trans	-120.2	164.6	173.3	61.4	0	0	0	0	109.5	R66 T67 I68 Q129 D194	T64-R66 PolarHBondContact O-N 3.38Å; T64-T67 PolarHBondContact N-OG1 3.3Å; T64-T67 PolarHBondContact O-N 2.86Å; T64-T67 PolarHBondContact O-OG1 3.32Å; T64-T67 PolarHBondContact OG1-N 2.8Å; T64-T67 VanDerWaalsContact OG1-N 3.16Å; T64-T67 PolarHBondContact OG1-OG1 2.87Å; T64-I68 WeakPolarHBondContact O-CG1 3.07Å; T64-I68 PolarHBondContact O-N 2.89Å; T64-Q129 CarbonylContact C-O 3.58Å; T64-Q129 WeakPolarHBondContact CA-O 3.26Å; T64-Q129 VanDerWaalsContact CB-O 3.31Å; T64-Q129 WeakPolarHBondContact CB-O 3.44Å; T64-Q129 HydrophobicContact CG2-CB 4.4Å; T64-D194 HydrophobicContact CG2-CB 4.05Å
65	C	96.6	Very high	78.7	Confident	2 Å²	2	74.5 Å²	74.5	1%	0.014	41%	0.413	C	S	.	.	H	α-helix	trans	-58.5	-32.4	171.4	-60.2	0	0	0	0	112.4	I68 C69 V127 L128 Q129 S130 G131 C162	C65-I68 PolarHBondContact O-N 3.35Å; C65-C69 WeakPolarHBondContact O-CB 3.31Å; C65-C69 PolarHBondContact O-N 3.47Å; C65-V127 HydrophobicContact CB-CG1 3.86Å; C65-L128 VanDerWaalsContact CB-O 3.23Å; C65-L128 WeakPolarHBondContact CB-O 3.41Å; C65-Q129 PolarHBondContact N-O 2.92Å; C65-S130 VanDerWaalsContact SG-C 3.5Å; C65-G131 PolarHBondContact SG-N 2.88Å; C65-C162 WeakPolarHBondContact CA-SG 3.39Å; C65-C162 HydrophobicContact CB-CB 3.75Å; C65-C162 WeakPolarHBondContact CB-SG 3.31Å; C65-C162 WeakPolarHBondContact SG-CB 2.91Å; C65-C162 CovalentContact SG-SG 2.01Å; C65-C162 PolarHBondContact SG-SG 3.47Å
66	R	95.6	Very high	81.2	Confident	88 Å²	88	69.7 Å²	69.7	33%	0.332	39%	0.39	S	S	.	.	H	α-helix	trans	-62.6	-42.5	172.2	-65	-173.4	179.5	167.2	-6.6	112.4	T64 C69 K70 C124 S125 V127 Q129	T64-R66 PolarHBondContact O-N 3.38Å; R66-C69 WeakPolarHBondContact O-CB 3.22Å; R66-K70 WeakPolarHBondContact O-CG 3.45Å; R66-K70 PolarHBondContact O-N 3.24Å; R66-C124 WeakPolarHBondContact CG-O 3.49Å; R66-S125 PolarHBondContact NE-O 2.98Å; R66-S125 PolarHBondContact NH2-O 3.45Å; R66-V127 HydrophobicContact CG-CB 4.25Å; R66-V127 VanDerWaalsContact CG-O 3.26Å; R66-V127 WeakPolarHBondContact CG-O 3.25Å; R66-V127 PolarHBondContact NE-O 2.85Å; R66-Q129 HydrophobicContact CG-CG 4.33Å
67	T	95	Very high	83.4	Confident	52 Å²	52	70.7 Å²	70.7	32%	0.319	40%	0.4	S	S	.	.	H	α-helix	trans	-69.6	-36.2	176.4	54.3	0	0	0	0	111.8	Q63 T64 K70 N71	Q63-T67 WeakPolarHBondContact CG-OG1 3.18Å; T64-T67 PolarHBondContact N-OG1 3.3Å; T64-T67 PolarHBondContact O-N 2.86Å; T64-T67 PolarHBondContact O-OG1 3.32Å; T64-T67 PolarHBondContact OG1-N 2.8Å; T64-T67 VanDerWaalsContact OG1-N 3.16Å; T64-T67 PolarHBondContact OG1-OG1 2.87Å; T67-K70 PolarHBondContact O-N 3.47Å; T67-N71 VanDerWaalsContact O-CG 3.27Å; T67-N71 PolarHBondContact O-N 2.86Å; T67-N71 PolarHBondContact O-ND2 2.88Å
68	I	95.5	Very high	85.7	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-63.8	-47.2	174.3	-61.5	163.7	0	0	0	109.8	Q63 T64 C65 K70 N71 I72 M116 F193	Q63-I68 HydrophobicContact CG-CD1 4.05Å; Q63-I68 HydrophobicContact CG-CG1 3.63Å; T64-I68 WeakPolarHBondContact O-CG1 3.07Å; T64-I68 PolarHBondContact O-N 2.89Å; C65-I68 PolarHBondContact O-N 3.35Å; I68-K70 PolarHBondContact O-N 2.97Å; I68-N71 PolarHBondContact O-N 2.91Å; I68-I72 WeakPolarHBondContact O-CG2 2.93Å; I68-I72 PolarHBondContact O-N 2.01Å; I68-M116 HydrophobicContact CB-CG 4.33Å; I68-M116 HydrophobicContact CG2-CB 4.37Å; I68-M116 HydrophobicContact CG2-CG 3.84Å; I68-F193 HydrophobicContact CD1-CD2 4.24Å; I68-F193 HydrophobicContact CD1-CE2 3.57Å; I68-F193 HydrophobicContact CD1-CZ 4.29Å
69	C	95.7	Very high	87.8	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-51.7	-42.8	175.4	-175.1	0	0	0	0	112.5	C65 R66 N71 M116 K118 C124 V127	C65-C69 WeakPolarHBondContact O-CB 3.31Å; C65-C69 PolarHBondContact O-N 3.47Å; R66-C69 WeakPolarHBondContact O-CB 3.22Å; C69-N71 VanDerWaalsContact C-N 3.31Å; C69-N71 PolarHBondContact O-N 3.15Å; C69-M116 HydrophobicContact CB-CE 4.08Å; C69-M116 HydrophobicContact CB-SD 3.43Å; C69-M116 WeakPolarHBondContact CB-SD 2.93Å; C69-K118 VanDerWaalsContact O-CD 3.29Å; C69-K118 WeakPolarHBondContact O-CD 3.38Å; C69-K118 WeakPolarHBondContact O-CE 3.47Å; C69-K118 PolarHBondContact O-NZ 2.97Å; C69-C124 HydrophobicContact CB-CB 3.61Å; C69-C124 WeakPolarHBondContact CB-SG 3.44Å; C69-C124 PolarHBondContact O-SG 2.95Å; C69-C124 VanDerWaalsContact O-SG 3.37Å; C69-C124 WeakPolarHBondContact SG-CA 3.47Å; C69-C124 WeakPolarHBondContact SG-CB 3.33Å; C69-C124 CovalentContact SG-SG 2.04Å; C69-C124 PolarHBondContact SG-SG 3.16Å; C69-V127 HydrophobicContact CB-CG2 4.38Å
70	K	94	Very high	89.6	Confident	139 Å²	139	64.8 Å²	64.8	60%	0.604	36%	0.36	S	S	*	.	H	α-helix	trans	-68.7	-30.7	-179.9	-72.3	176.1	-179	-174.7	0	112.8	R66 T67 I68 C124	R66-K70 WeakPolarHBondContact O-CG 3.45Å; R66-K70 PolarHBondContact O-N 3.24Å; T67-K70 PolarHBondContact O-N 3.47Å; I68-K70 PolarHBondContact O-N 2.97Å; K70-C124 HydrophobicContact CG-CB 3.87Å
71	N	92.2	Very high	90.8	Very high	125 Å²	125	64.6 Å²	64.6	67%	0.668	36%	0.355	S	S	*	.	H	α-helix	trans	-99.5	-10.9	-171.5	-65	-13.6	0	0	0	114.1	T67 I68 C69	T67-N71 VanDerWaalsContact O-CG 3.27Å; T67-N71 PolarHBondContact O-N 2.86Å; T67-N71 PolarHBondContact O-ND2 2.88Å; I68-N71 PolarHBondContact O-N 2.91Å; C69-N71 VanDerWaalsContact C-N 3.31Å; C69-N71 PolarHBondContact O-N 3.15Å
72	I	91.8	Very high	91.2	Very high	16 Å²	16	60.9 Å²	60.9	8%	0.082	34%	0.339	C	S	.	.	S	Bend	trans	-100	147.7	177.9	-159.4	167.5	0	0	0	111.8	I68 W115 M116 K118	I68-I72 WeakPolarHBondContact O-CG2 2.93Å; I68-I72 PolarHBondContact O-N 2.01Å; I72-W115 HydrophobicContact CD1-CG 3.95Å; I72-M116 HydrophobicContact CG2-CG 4.47Å; I72-K118 HydrophobicContact CG2-CB 4.15Å; I72-K118 HydrophobicContact CG2-CD 3.98Å; I72-K118 VanDerWaalsContact O-CD 3.31Å; I72-K118 WeakPolarHBondContact O-CD 3.23Å; I72-K118 PolarHBondContact O-NZ 2.8Å
73	D	90.7	Very high	91	Very high	135 Å²	135	57.6 Å²	57.6	72%	0.722	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-67.5	145.5	170.8	-67.1	-35.5	0	0	0	111
74	S	91.7	Very high	90.7	Very high	42 Å²	42	62.4 Å²	62.4	29%	0.294	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-69.2	142.3	171.9	51.4	0	0	0	0	110.6	P76 K118	S74-P76 VanDerWaalsContact O-CD 3.25Å; S74-P76 WeakPolarHBondContact O-CD 3.25Å; S74-K118 CarbonylContact C-O 3.48Å; S74-K118 VanDerWaalsContact CA-O 3.23Å; S74-K118 WeakPolarHBondContact CA-O 3.34Å
75	V	90.6	Very high	90.4	Very high	2 Å²	2	66 Å²	66	1%	0.012	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-69.3	117.9	169.3	175.4	0	0	0	0	108.3	S77 K79 V80 L83 Y107 F117 K118	V75-S77 PolarHBondContact O-N 2.85Å; V75-K79 HydrophobicContact CG1-CB 4.42Å; V75-V80 HydrophobicContact CG1-CG2 3.8Å; V75-L83 HydrophobicContact CG1-CD1 4.07Å; V75-L83 HydrophobicContact CG2-CD1 4.29Å; V75-Y107 HydrophobicContact CB-CE2 4.15Å; V75-Y107 HydrophobicContact CG1-CD2 4.3Å; V75-Y107 HydrophobicContact CG1-CE1 4.48Å; V75-Y107 HydrophobicContact CG1-CE2 3.52Å; V75-Y107 HydrophobicContact CG2-CD1 4.34Å; V75-Y107 HydrophobicContact CG2-CD2 3.71Å; V75-Y107 HydrophobicContact CG2-CE1 4.41Å; V75-Y107 HydrophobicContact CG2-CE2 3.8Å; V75-Y107 HydrophobicContact CG2-CG 4.02Å; V75-F117 HydrophobicContact CB-CD2 4.43Å; V75-F117 HydrophobicContact CB-CE2 3.94Å; V75-F117 HydrophobicContact CG1-CE2 4.14Å; V75-F117 HydrophobicContact CG2-CD2 3.97Å; V75-F117 HydrophobicContact CG2-CE2 3.98Å; V75-K118 PolarHBondContact N-O 2.91Å
76	P	89	Confident	90	Very high	50 Å²	50	71.5 Å²	71.5	33%	0.325	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-56.7	138.9	177	-27.1	35.8	0	0	0	111.7	S74 S78 K79 V80 Y107 E120	S74-P76 VanDerWaalsContact O-CD 3.25Å; S74-P76 WeakPolarHBondContact O-CD 3.25Å; P76-S78 PolarHBondContact O-N 3.45Å; P76-K79 HydrophobicContact CB-CG 4.49Å; P76-K79 PolarHBondContact O-N 3.44Å; P76-V80 PolarHBondContact O-N 2.79Å; P76-Y107 WeakPolarHBondContact CD-OH 3.24Å; P76-E120 WeakPolarHBondContact CA-OE1 3.37Å
77	S	87.3	Confident	89.8	Confident	85 Å²	85	67.8 Å²	67.8	59%	0.594	39%	0.385	S	S	*	.	H	α-helix	trans	-52.3	-33.8	-178.2	-61.8	0	0	0	0	113.1	V75 K79 E120	V75-S77 PolarHBondContact O-N 2.85Å; S77-K79 PolarHBondContact O-N 3.38Å; S77-E120 PolarHBondContact N-OE1 2.68Å; S77-E120 PolarHBondContact OG-OE1 2.54Å
78	S	87.4	Confident	89.7	Confident	104 Å²	104	72 Å²	72	73%	0.727	40%	0.399	S	S	*	.	H	α-helix	trans	-65.9	-17	177.9	60.9	0	0	0	0	114.6	P76	P76-S78 PolarHBondContact O-N 3.45Å
79	K	86.1	Confident	89.4	Confident	128 Å²	128	73.2 Å²	73.2	56%	0.557	41%	0.405	S	S	*	.	H	α-helix	trans	-111.3	-13.8	-174.7	-65.9	-79.6	-172	176	0	113.4	V75 P76 S77 N81 G82 Y107	V75-K79 HydrophobicContact CG1-CB 4.42Å; P76-K79 HydrophobicContact CB-CG 4.49Å; P76-K79 PolarHBondContact O-N 3.44Å; S77-K79 PolarHBondContact O-N 3.38Å; K79-N81 PolarHBondContact O-N 3.45Å; K79-N81 VanDerWaalsContact O-N 3.16Å; K79-G82 PolarHBondContact O-N 3.37Å; K79-Y107 WeakPolarHBondContact CB-OH 3.2Å; K79-Y107 WeakPolarHBondContact CG-OH 2.94Å
80	V	86	Confident	88.5	Confident	39 Å²	39	78.4 Å²	78.4	24%	0.236	44%	0.439	C	S	.	.	H	α-helix	trans	-54.5	-34.5	177.3	177.7	0	0	0	0	111.5	V75 P76 G82 L83 F117	V75-V80 HydrophobicContact CG1-CG2 3.8Å; P76-V80 PolarHBondContact O-N 2.79Å; V80-G82 PolarHBondContact O-N 3.27Å; V80-G82 VanDerWaalsContact O-N 3.17Å; V80-L83 WeakPolarHBondContact O-CB 3.31Å; V80-L83 PolarHBondContact O-N 2.98Å; V80-F117 HydrophobicContact CG1-CE2 4.43Å; V80-F117 HydrophobicContact CG1-CZ 4.02Å; V80-F117 HydrophobicContact CG2-CE2 4.31Å; V80-F117 HydrophobicContact CG2-CZ 4.13Å
81	N	85.8	Confident	87.4	Confident	104 Å²	104	75.9 Å²	75.9	56%	0.556	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-59.8	-27.9	177.4	-169.1	59	0	0	0	113.6	K79 L83 K84	K79-N81 PolarHBondContact O-N 3.45Å; K79-N81 VanDerWaalsContact O-N 3.16Å; N81-L83 PolarHBondContact O-N 2.84Å; N81-K84 WeakPolarHBondContact O-CG 3.33Å; N81-K84 PolarHBondContact O-N 2.82Å; N81-K84 VanDerWaalsContact OD1-CD 3.27Å; N81-K84 WeakPolarHBondContact OD1-CD 3.28Å; N81-K84 WeakPolarHBondContact OD1-CE 3.15Å; N81-K84 PolarHBondContact OD1-NZ 2.88Å
82	G	83.6	Confident	85.8	Confident	51 Å²	51	75.8 Å²	75.8	53%	0.526	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-73.5	-12	175.3	0	0	0	0	0	114.1	K79 V80	K79-G82 PolarHBondContact O-N 3.37Å; V80-G82 PolarHBondContact O-N 3.27Å; V80-G82 VanDerWaalsContact O-N 3.17Å
83	L	86.1	Confident	84.1	Confident	2 Å²	2	77.3 Å²	77.3	1%	0.01	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-93.7	5.5	175.7	-66.3	172.3	0	0	0	113.1	V75 V80 N81 F106 F117 Q157 R158	V75-L83 HydrophobicContact CG1-CD1 4.07Å; V75-L83 HydrophobicContact CG2-CD1 4.29Å; V80-L83 WeakPolarHBondContact O-CB 3.31Å; V80-L83 PolarHBondContact O-N 2.98Å; N81-L83 PolarHBondContact O-N 2.84Å; L83-F106 HydrophobicContact CD2-CD1 3.55Å; L83-F106 HydrophobicContact CD2-CE1 3.76Å; L83-F117 HydrophobicContact CD1-CD2 3.74Å; L83-F117 HydrophobicContact CD1-CE2 3.65Å; L83-Q157 HydrophobicContact CD2-CB 4.09Å; L83-R158 VanDerWaalsContact O-CA 3.32Å; L83-R158 WeakPolarHBondContact O-CA 3.48Å; L83-R158 WeakPolarHBondContact O-CB 3.41Å; L83-R158 WeakPolarHBondContact O-CG 3.43Å
84	K	87.6	Confident	82.5	Confident	128 Å²	128	77.2 Å²	77.2	56%	0.557	45%	0.447	S	S	*	.	S	Bend	trans	-65.2	140.5	177	-75.1	-178.5	175.3	170.6	0	111.5	N81 M86 R158	N81-K84 WeakPolarHBondContact O-CG 3.33Å; N81-K84 PolarHBondContact O-N 2.82Å; N81-K84 VanDerWaalsContact OD1-CD 3.27Å; N81-K84 WeakPolarHBondContact OD1-CD 3.28Å; N81-K84 WeakPolarHBondContact OD1-CE 3.15Å; N81-K84 PolarHBondContact OD1-NZ 2.88Å; K84-M86 PolarHBondContact O-N 3.24Å; K84-R158 VanDerWaalsContact O-CD 3.25Å; K84-R158 WeakPolarHBondContact O-CD 3.22Å
85	P	89.5	Confident	81	Confident	95 Å²	95	78 Å²	78	62%	0.617	45%	0.445	S	S	*	.			trans	-55.2	137.9	172.6	-25.4	34	0	0	0	112.3	D210	P85-D210 WeakPolarHBondContact CA-OD2 3.48Å
86	M	88.5	Confident	79.1	Confident	116 Å²	116	81.6 Å²	81.6	57%	0.571	46%	0.464	S	S	*	.			trans	-103.7	-18.2	-178.9	-60.6	179.9	67	0	0	112.5	K84 D210	K84-M86 PolarHBondContact O-N 3.24Å; M86-D210 PolarHBondContact N-OD1 2.84Å; M86-D210 PolarHBondContact N-OD2 3.43Å
87	G	92.6	Very high	77.2	Confident	10 Å²	10	88.2 Å²	88.2	10%	0.103	49%	0.491	C	S	.	.	S	Bend	trans	74.3	-126.3	-167	0	0	0	0	0	111.2	M89 D209 D210	G87-M89 PolarHBondContact O-N 3.17Å; G87-D209 VanDerWaalsContact C-OD1 3.26Å; G87-D209 WeakPolarHBondContact O-CA 3.37Å; G87-D210 VanDerWaalsContact CA-OD1 3.3Å; G87-D210 WeakPolarHBondContact CA-OD1 3.31Å; G87-D210 PolarHBondContact N-OD1 2.96Å; G87-D210 PolarHBondContact O-N 3.08Å
88	K	92.2	Very high	75.6	Confident	140 Å²	140	91.5 Å²	91.5	61%	0.609	50%	0.497	S	S	*	.	B	Isolated β-bridge	trans	-62.7	120.9	177.4	-68.7	180	-178	173.2	0	109.5	D209	K88-D209 VanDerWaalsContact CG-OD2 3.26Å; K88-D209 WeakPolarHBondContact CG-OD2 3.43Å
89	M	88.5	Confident	74	Confident	27 Å²	27	91.8 Å²	91.8	13%	0.133	49%	0.488	C	S	.	.	P	Polyproline II helix	trans	-81.8	137.4	-179.3	-63.3	-174.8	-73.8	0	0	110	G87 F91 V155 R158 P207 L208 D210	G87-M89 PolarHBondContact O-N 3.17Å; M89-F91 PolarHBondContact O-N 2.91Å; M89-V155 HydrophobicContact CE-CG2 3.43Å; M89-V155 VanDerWaalsContact CE-CG2 3.43Å; M89-V155 HydrophobicContact SD-CG2 3.45Å; M89-V155 WeakPolarHBondContact SD-CG2 3.43Å; M89-R158 PolarHBondContact SD-NH2 3.31Å; M89-P207 HydrophobicContact CE-CB 4.16Å; M89-P207 HydrophobicContact CE-CG 4.24Å; M89-P207 WeakPolarHBondContact CE-O 3.32Å; M89-L208 PolarHBondContact N-O 3.4Å; M89-D210 HydrophobicContact CG-CB 4.31Å; M89-D210 HydrophobicContact SD-CB 4.17Å
90	P	77	Confident	72.5	Confident	109 Å²	109	88.3 Å²	88.3	71%	0.708	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-64.1	122.6	172.3	27	-32	0	0	0	108.8
91	F	71.4	Confident	71.2	Confident	86 Å²	86	93.3 Å²	93.3	38%	0.377	50%	0.5	S	S	.	.			trans	-115	121	172.5	-174	-99.6	0	0	0	108.6	M89 G93 F95 I206 L208 L297	M89-F91 PolarHBondContact O-N 2.91Å; F91-G93 VanDerWaalsContact C-N 3.26Å; F91-G93 VanDerWaalsContact CD1-N 3.25Å; F91-G93 VanDerWaalsContact CE1-N 3.31Å; F91-G93 PolarHBondContact O-N 3.13Å; F91-F95 HydrophobicContact CE1-CZ 4.38Å; F91-F95 AromaticContact CZ-CE1 3.91Å; F91-F95 HydrophobicContact CZ-CE1 3.91Å; F91-F95 HydrophobicContact CZ-CE2 4.26Å; F91-F95 AromaticContact CZ-CZ 3.78Å; F91-F95 HydrophobicContact CZ-CZ 3.78Å; F91-I206 HydrophobicContact CE2-CD1 4.23Å; F91-L208 HydrophobicContact CB-CD2 4.16Å; F91-L208 HydrophobicContact CD2-CD2 4.47Å; F91-L208 HydrophobicContact CG-CD2 4.27Å; F91-L297 HydrophobicContact CD1-CD2 3.65Å; F91-L297 HydrophobicContact CD2-CD2 4.19Å; F91-L297 HydrophobicContact CE1-CD2 3.05Å; F91-L297 HydrophobicContact CE1-CG 4.49Å; F91-L297 HydrophobicContact CE2-CD2 3.68Å; F91-L297 HydrophobicContact CG-CD2 4.19Å; F91-L297 HydrophobicContact CZ-CD2 3.09Å
92	T	58	Low	70	Confident	122 Å²	122	89.3 Å²	89.3	75%	0.748	48%	0.478	S	S	*	.			trans	-80.1	-1.8	-173.8	49.6	0	0	0	0	113.9	E94	T92-E94 PolarHBondContact O-N 3.2Å; T92-E94 VanDerWaalsContact O-N 3.07Å
93	G	57	Low	68.8	Low	48 Å²	48	91.6 Å²	91.6	50%	0.495	48%	0.479	S	S	.	.			trans	79.8	-19.5	174.6	0	0	0	0	0	114.8	F91 F95	F91-G93 VanDerWaalsContact C-N 3.26Å; F91-G93 VanDerWaalsContact CD1-N 3.25Å; F91-G93 VanDerWaalsContact CE1-N 3.31Å; F91-G93 PolarHBondContact O-N 3.13Å; G93-F95 PolarHBondContact O-N 3.49Å
94	E	56.9	Low	67.4	Low	134 Å²	134	96.1 Å²	96.1	63%	0.626	50%	0.503	S	S	*	.			trans	-90.6	100.4	-171.9	-71.2	-178.5	169.9	0	0	111.4	T92 N96	T92-E94 PolarHBondContact O-N 3.2Å; T92-E94 VanDerWaalsContact O-N 3.07Å; E94-N96 VanDerWaalsContact C-N 3.3Å; E94-N96 PolarHBondContact O-N 2.83Å
95	F	60.8	Low	65.8	Low	57 Å²	57	94.4 Å²	94.4	25%	0.25	50%	0.503	C	S	.	.			trans	-79.9	84.6	159.7	-62.8	-70.3	0	0	0	108	F91 G93 E97 I206 L297 Q299	F91-F95 HydrophobicContact CE1-CZ 4.38Å; F91-F95 AromaticContact CZ-CE1 3.91Å; F91-F95 HydrophobicContact CZ-CE1 3.91Å; F91-F95 HydrophobicContact CZ-CE2 4.26Å; F91-F95 AromaticContact CZ-CZ 3.78Å; F91-F95 HydrophobicContact CZ-CZ 3.78Å; G93-F95 PolarHBondContact O-N 3.49Å; F95-E97 PolarHBondContact O-N 3.19Å; F95-I206 HydrophobicContact CE1-CD1 3.7Å; F95-I206 HydrophobicContact CZ-CD1 4.22Å; F95-L297 HydrophobicContact CE1-CD2 4.27Å; F95-L297 HydrophobicContact CE2-CD2 3.94Å; F95-L297 HydrophobicContact CE2-CG 4.44Å; F95-L297 HydrophobicContact CZ-CD2 3.35Å; F95-L297 HydrophobicContact CZ-CG 3.89Å; F95-Q299 HydrophobicContact CE1-CB 4.3Å; F95-Q299 HydrophobicContact CE1-CG 3.58Å; F95-Q299 HydrophobicContact CZ-CB 4.28Å; F95-Q299 HydrophobicContact CZ-CG 3.73Å
96	N	50.6	Low	64.8	Low	79 Å²	79	92.1 Å²	92.1	42%	0.422	48%	0.484	S	S	.	.			trans	-55	145.4	173.8	-66.8	-5.9	0	0	0	109.1	E94 E98 K143	E94-N96 VanDerWaalsContact C-N 3.3Å; E94-N96 PolarHBondContact O-N 2.83Å; N96-E98 PolarHBondContact O-N 2.93Å; N96-E98 VanDerWaalsContact O-N 3.15Å; N96-K143 VanDerWaalsContact O-CE 3.22Å; N96-K143 WeakPolarHBondContact O-CE 3.27Å; N96-K143 PolarHBondContact O-NZ 3.49Å
97	E	48.8	Very low	64.1	Low	188 Å²	188	89.2 Å²	89.2	88%	0.879	47%	0.466	S	S	*	.	S	Bend	trans	-57.6	-28.9	178.8	-76.1	-165.4	166.7	0	0	111.5	F95 K143	F95-E97 PolarHBondContact O-N 3.19Å; E97-K143 WeakPolarHBondContact O-CE 3.48Å; E97-K143 PolarHBondContact O-NZ 3.18Å
98	E	52.9	Low	63.5	Low	155 Å²	155	92.6 Å²	92.6	72%	0.724	49%	0.487	S	S	*	.	S	Bend	trans	-68.5	147.4	173.9	-60.7	-177	174.7	0	0	112.7	N96 N100	N96-E98 PolarHBondContact O-N 2.93Å; N96-E98 VanDerWaalsContact O-N 3.15Å; E98-N100 PolarHBondContact O-N 2.02Å; E98-N100 VanDerWaalsContact O-N 3.13Å
99	M	54	Low	63.2	Low	109 Å²	109	86.5 Å²	86.5	54%	0.537	46%	0.461	S	S	.	.			trans	-66.3	111.5	172.1	-175.1	174.2	74.2	0	0	107.9	L101 N146	M99-L101 PolarHBondContact O-N 2.77Å; M99-N146 HydrophobicContact CG-CB 3.88Å; M99-N146 VanDerWaalsContact CG-ND2 3.3Å; M99-N146 WeakPolarHBondContact CG-ND2 2.86Å; M99-N146 HydrophobicContact SD-CB 4.34Å
100	N	55.9	Low	63.2	Low	56 Å²	56	86.6 Å²	86.6	30%	0.299	46%	0.464	S	S	.	.			trans	-58.2	119.6	173.5	-70.7	-42.2	0	0	0	107.5	E98 I102 N146 N147	E98-N100 PolarHBondContact O-N 2.02Å; E98-N100 VanDerWaalsContact O-N 3.13Å; N100-I102 PolarHBondContact O-N 3.29Å; N100-N146 PolarHBondContact O-ND2 3.08Å; N100-N147 VanDerWaalsContact CB-OD1 3.31Å; N100-N147 WeakPolarHBondContact CB-OD1 3.33Å; N100-N147 PolarHBondContact ND2-OD1 3.08Å
101	L	57	Low	63.8	Low	144 Å²	144	87.4 Å²	87.4	75%	0.754	46%	0.462	S	S	*	.			trans	-53.9	137.3	170.1	-72.7	163.8	0	0	0	107.6	M99 N103 S150	M99-L101 PolarHBondContact O-N 2.77Å; L101-N103 PolarHBondContact O-N 2.96Å; L101-S150 PolarHBondContact O-OG 3.01Å
102	I	61.5	Low	64.9	Low	19 Å²	19	83.8 Å²	83.8	10%	0.097	45%	0.446	C	S	.	.			trans	-59.5	112.2	169.3	-67	169.6	0	0	0	104.8	N100 D104 N146 L149 S150 I153 H343	N100-I102 PolarHBondContact O-N 3.29Å; I102-D104 VanDerWaalsContact C-N 3.35Å; I102-D104 PolarHBondContact O-N 3.13Å; I102-N146 WeakPolarHBondContact CD1-OD1 3.08Å; I102-L149 HydrophobicContact CD1-CB 3.82Å; I102-L149 HydrophobicContact CD1-CD1 4.04Å; I102-L149 HydrophobicContact CG1-CB 4.24Å; I102-S150 WeakPolarHBondContact CA-OG 3.29Å; I102-I153 HydrophobicContact CG2-CD1 4.07Å; I102-H343 HydrophobicContact CD1-CB 4.03Å; I102-H343 WeakPolarHBondContact CD1-CD2 3.32Å
103	N	57.6	Low	66.6	Low	100 Å²	100	78 Å²	78	54%	0.535	41%	0.41	S	S	.	.			trans	-69.6	100.2	-172.3	-166.9	1	0	0	0	106.4	L101 T105	L101-N103 PolarHBondContact O-N 2.96Å; N103-T105 PolarHBondContact ND2-OG1 2.84Å; N103-T105 PolarHBondContact O-N 3.38Å; N103-T105 PolarHBondContact O-OG1 3.25Å; N103-T105 WeakPolarHBondContact OD1-CG2 2.91Å; N103-T105 PolarHBondContact OD1-OG1 3.02Å
104	D	56.5	Low	68.5	Low	97 Å²	97	75.7 Å²	75.7	52%	0.519	39%	0.387	S	S	.	.			trans	-65.8	26.7	175.9	-78.7	-22.9	0	0	0	112.4	I102 F106 Q342 H343	I102-D104 VanDerWaalsContact C-N 3.35Å; I102-D104 PolarHBondContact O-N 3.13Å; D104-F106 PolarHBondContact O-N 3.42Å; D104-Q342 PolarHBondContact OD1-NE2 3.07Å; D104-Q342 PolarHBondContact OD2-NE2 3.37Å; D104-H343 IonicContact OD1-CE1 2.75Å; D104-H343 PolarHBondContact OD1-CE1 2.81Å; D104-H343 VanDerWaalsContact OD1-CE1 3.31Å; D104-H343 IonicContact OD1-NE2 3.83Å
105	T	54	Low	70.3	Confident	91 Å²	91	69.3 Å²	69.3	56%	0.558	36%	0.357	S	S	*	.			trans	-65.7	-4.7	174.4	34.5	0	0	0	0	112.9	N103	N103-T105 PolarHBondContact ND2-OG1 2.84Å; N103-T105 PolarHBondContact O-N 3.38Å; N103-T105 PolarHBondContact O-OG1 3.25Å; N103-T105 WeakPolarHBondContact OD1-CG2 2.91Å; N103-T105 PolarHBondContact OD1-OG1 3.02Å
106	F	69.1	Low	71.9	Confident	48 Å²	48	67.3 Å²	67.3	21%	0.211	35%	0.349	C	S	.	.	S	Bend	trans	-127.5	161	173.7	-65.6	-87.2	0	0	0	111.8	L83 D104 P154	L83-F106 HydrophobicContact CD2-CD1 3.55Å; L83-F106 HydrophobicContact CD2-CE1 3.76Å; D104-F106 PolarHBondContact O-N 3.42Å; F106-P154 HydrophobicContact CD2-CB 3.79Å; F106-P154 HydrophobicContact CD2-CG 3.72Å; F106-P154 HydrophobicContact CE2-CB 3.57Å; F106-P154 HydrophobicContact CE2-CG 3.85Å; F106-P154 HydrophobicContact CZ-CB 4.23Å
107	Y	73.8	Confident	74	Confident	54 Å²	54	64.7 Å²	64.7	21%	0.212	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-50.3	136.8	-168.5	-68.7	-86.7	0	0	0	113.1	V75 P76 K79 Q109 Q157	V75-Y107 HydrophobicContact CB-CE2 4.15Å; V75-Y107 HydrophobicContact CG1-CD2 4.3Å; V75-Y107 HydrophobicContact CG1-CE1 4.48Å; V75-Y107 HydrophobicContact CG1-CE2 3.52Å; V75-Y107 HydrophobicContact CG2-CD1 4.34Å; V75-Y107 HydrophobicContact CG2-CD2 3.71Å; V75-Y107 HydrophobicContact CG2-CE1 4.41Å; V75-Y107 HydrophobicContact CG2-CE2 3.8Å; V75-Y107 HydrophobicContact CG2-CG 4.02Å; P76-Y107 WeakPolarHBondContact CD-OH 3.24Å; K79-Y107 WeakPolarHBondContact CB-OH 3.2Å; K79-Y107 WeakPolarHBondContact CG-OH 2.94Å; Y107-Q109 PolarHBondContact O-N 2.88Å; Y107-Q157 PolarHBondContact O-NE2 2.87Å
108	P	80.1	Confident	76.1	Confident	82 Å²	82	57.5 Å²	57.5	53%	0.532	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-58	130.3	-177.3	24.4	-33.3	0	0	0	109.6
109	Q	85	Confident	77.9	Confident	12 Å²	12	54.4 Å²	54.4	6%	0.056	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-70.5	159.4	167	-60.5	176.1	-83.5	0	0	109.1	Y107 G113 W115 I153 Y163 Q342 H343	Y107-Q109 PolarHBondContact O-N 2.88Å; Q109-G113 PolarHBondContact NE2-O 3.38Å; Q109-W115 HydrophobicContact CB-CB 4.42Å; Q109-W115 HydrophobicContact CG-CB 3.99Å; Q109-W115 HydrophobicContact CG-CG 4.42Å; Q109-I153 VanDerWaalsContact OE1-CD1 3.28Å; Q109-Y163 VanDerWaalsContact NE2-CE2 3.28Å; Q109-Y163 PolarHBondContact NE2-OH 3.49Å; Q109-Y163 VanDerWaalsContact NE2-OH 3.08Å; Q109-Q342 WeakPolarHBondContact CB-O 3.27Å; Q109-H343 PolarHBondContact OE1-ND1 2.8Å
110	S	89.8	Confident	79.7	Confident	29 Å²	29	54.9 Å²	54.9	20%	0.203	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-63.9	160.1	170.8	-64.2	0	0	0	0	110.4	D112 G113 S114	S110-D112 VanDerWaalsContact CB-OD1 3.28Å; S110-D112 WeakPolarHBondContact CB-OD1 3.49Å; S110-D112 PolarHBondContact O-N 2.91Å; S110-G113 PolarHBondContact O-N 3.27Å; S110-G113 VanDerWaalsContact O-N 3.07Å; S110-S114 WeakPolarHBondContact CB-OG 3.45Å; S110-S114 PolarHBondContact N-O 3.21Å
111	L	89.5	Confident	81.5	Confident	126 Å²	126	58 Å²	58	66%	0.66	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	53.3	177.3	-169.1	76.1	0	0	0	111.9	E340 K341	L111-E340 WeakPolarHBondContact O-CB 3.4Å; L111-K341 CarbonylContact C-O 3.58Å
112	D	93.2	Very high	83.2	Confident	9 Å²	9	53 Å²	53	5%	0.048	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-163.2	2.4	174.6	64.8	-2.1	0	0	0	112.6	Q63 S110 S114 R164 E340 K341 Y344 T345	Q63-D112 PolarHBondContact NE2-OD2 3.22Å; Q63-D112 PolarHBondContact OE1-OD2 2.83Å; S110-D112 VanDerWaalsContact CB-OD1 3.28Å; S110-D112 WeakPolarHBondContact CB-OD1 3.49Å; S110-D112 PolarHBondContact O-N 2.91Å; D112-S114 VanDerWaalsContact C-N 3.34Å; D112-S114 WeakPolarHBondContact OD1-CA 2.85Å; D112-S114 WeakPolarHBondContact OD1-CB 3.34Å; D112-S114 PolarHBondContact OD1-N 3.21Å; D112-S114 PolarHBondContact OD1-OG 2.88Å; D112-S114 PolarHBondContact OD2-OG 3.04Å; D112-R164 PolarHBondContact O-NE 3.26Å; D112-R164 IonicContact OD2-CZ 3.6Å; D112-R164 IonicContact OD2-NE 2.74Å; D112-R164 IonicContact OD2-NH1 2.67Å; D112-R164 PolarHBondContact OD2-NH1 2.79Å; D112-R164 IonicContact OD2-NH2 3.46Å; D112-E340 HydrophobicContact CB-CB 4.08Å; D112-E340 HydrophobicContact CB-CG 4.3Å; D112-K341 CarbonylContact C-O 3.57Å; D112-K341 WeakPolarHBondContact CA-O 3.46Å; D112-K341 PolarHBondContact N-O 3.12Å; D112-K341 VanDerWaalsContact N-O 3.09Å; D112-Y344 CarbonylContact O-C 3.58Å; D112-T345 PolarHBondContact O-N 3.13Å; D112-T345 VanDerWaalsContact O-N 3.12Å; D112-T345 PolarHBondContact O-OG1 3.2Å
113	G	94.5	Very high	84.8	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.298	C	S	.	.	S	Bend	trans	78	14.3	-175	0	0	0	0	0	114.6	Q109 S110 I165 K341 Q342 H343	Q109-G113 PolarHBondContact NE2-O 3.38Å; S110-G113 PolarHBondContact O-N 3.27Å; S110-G113 VanDerWaalsContact O-N 3.07Å; G113-I165 PolarHBondContact O-N 3.44Å; G113-K341 PolarHBondContact N-O 2.94Å; G113-Q342 WeakPolarHBondContact CA-O 3.35Å; G113-Q342 PolarHBondContact N-O 3.3Å; G113-H343 WeakPolarHBondContact CA-O 3.37Å
114	S	96.2	Very high	86.7	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	145.7	174.5	71.8	0	0	0	0	112.4	Q63 S110 D112 Y163	Q63-S114 PolarHBondContact NE2-OG 3.5Å; Q63-S114 VanDerWaalsContact NE2-OG 3.15Å; S110-S114 WeakPolarHBondContact CB-OG 3.45Å; S110-S114 PolarHBondContact N-O 3.21Å; D112-S114 VanDerWaalsContact C-N 3.34Å; D112-S114 WeakPolarHBondContact OD1-CA 2.85Å; D112-S114 WeakPolarHBondContact OD1-CB 3.34Å; D112-S114 PolarHBondContact OD1-N 3.21Å; D112-S114 PolarHBondContact OD1-OG 2.88Å; D112-S114 PolarHBondContact OD2-OG 3.04Å; S114-Y163 WeakPolarHBondContact CA-O 3.45Å
115	W	95.4	Very high	88.5	Confident	1 Å²	1	50.5 Å²	50.5	0%	0.004	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	153.4	177.4	-175.9	94.5	0	0	0	110.2	I72 Q109 F117 Q157 L161 C162 Y163	I72-W115 HydrophobicContact CD1-CG 3.95Å; Q109-W115 HydrophobicContact CB-CB 4.42Å; Q109-W115 HydrophobicContact CG-CB 3.99Å; Q109-W115 HydrophobicContact CG-CG 4.42Å; W115-F117 HydrophobicContact CH2-CB 3.63Å; W115-F117 HydrophobicContact CH2-CD2 4.22Å; W115-F117 HydrophobicContact CH2-CG 4.44Å; W115-F117 HydrophobicContact CZ2-CB 4.43Å; W115-F117 HydrophobicContact CZ3-CB 4.02Å; W115-F117 VanDerWaalsContact CZ3-N 3.27Å; W115-Q157 HydrophobicContact CD2-CG 3.76Å; W115-Q157 HydrophobicContact CE3-CB 4.5Å; W115-Q157 HydrophobicContact CE3-CG 3.77Å; W115-Q157 HydrophobicContact CG-CG 4.45Å; W115-Q157 HydrophobicContact CH2-CB 3.86Å; W115-Q157 HydrophobicContact CH2-CG 3.86Å; W115-Q157 HydrophobicContact CZ2-CB 4.18Å; W115-Q157 HydrophobicContact CZ2-CG 3.88Å; W115-Q157 HydrophobicContact CZ3-CB 4.05Å; W115-Q157 HydrophobicContact CZ3-CG 3.82Å; W115-L161 WeakPolarHBondContact CZ3-O 3.22Å; W115-C162 WeakPolarHBondContact O-CA 3.22Å; W115-Y163 HydrophobicContact CB-CE1 3.93Å; W115-Y163 HydrophobicContact CD2-CE1 4.3Å; W115-Y163 HydrophobicContact CE3-CD1 4.34Å; W115-Y163 AromaticContact CE3-CE1 3.67Å; W115-Y163 HydrophobicContact CE3-CE1 3.67Å; W115-Y163 HydrophobicContact CG-CE1 4.45Å; W115-Y163 PolarHBondContact N-O 2.77Å; W115-Y163 VanDerWaalsContact N-O 3.1Å; W115-Y163 PolarHBondContact O-N 2.76Å
116	M	94.9	Very high	90.4	Very high	14 Å²	14	52.2 Å²	52.2	7%	0.069	28%	0.282	C	S	.	.			trans	-148.3	158.8	162.6	67.2	158.7	-83.2	0	0	110.9	I68 C69 I72 K118 V127 L161 C162	I68-M116 HydrophobicContact CB-CG 4.33Å; I68-M116 HydrophobicContact CG2-CB 4.37Å; I68-M116 HydrophobicContact CG2-CG 3.84Å; C69-M116 HydrophobicContact CB-CE 4.08Å; C69-M116 HydrophobicContact CB-SD 3.43Å; C69-M116 WeakPolarHBondContact CB-SD 2.93Å; I72-M116 HydrophobicContact CG2-CG 4.47Å; M116-K118 PolarHBondContact O-N 3.14Å; M116-V127 HydrophobicContact CE-CG1 4.17Å; M116-V127 HydrophobicContact CE-CG2 4.09Å; M116-V127 HydrophobicContact SD-CG1 3.96Å; M116-L161 WeakPolarHBondContact CA-O 3.27Å; M116-C162 HydrophobicContact CB-CB 3.81Å
117	F	93.8	Very high	91.5	Very high	24 Å²	24	51.2 Å²	51.2	11%	0.105	28%	0.279	C	S	.	.			trans	-75.1	121.7	174	-179.3	-109.3	0	0	0	110.9	V75 V80 L83 W115 E119 H160	V75-F117 HydrophobicContact CB-CD2 4.43Å; V75-F117 HydrophobicContact CB-CE2 3.94Å; V75-F117 HydrophobicContact CG1-CE2 4.14Å; V75-F117 HydrophobicContact CG2-CD2 3.97Å; V75-F117 HydrophobicContact CG2-CE2 3.98Å; V80-F117 HydrophobicContact CG1-CE2 4.43Å; V80-F117 HydrophobicContact CG1-CZ 4.02Å; V80-F117 HydrophobicContact CG2-CE2 4.31Å; V80-F117 HydrophobicContact CG2-CZ 4.13Å; L83-F117 HydrophobicContact CD1-CD2 3.74Å; L83-F117 HydrophobicContact CD1-CE2 3.65Å; W115-F117 HydrophobicContact CH2-CB 3.63Å; W115-F117 HydrophobicContact CH2-CD2 4.22Å; W115-F117 HydrophobicContact CH2-CG 4.44Å; W115-F117 HydrophobicContact CZ2-CB 4.43Å; W115-F117 HydrophobicContact CZ3-CB 4.02Å; W115-F117 VanDerWaalsContact CZ3-N 3.27Å; F117-E119 HydrophobicContact CD1-CG 4.28Å; F117-E119 HydrophobicContact CE1-CG 3.33Å; F117-E119 HydrophobicContact CZ-CG 3.61Å; F117-H160 HydrophobicContact CB-CB 3.63Å; F117-H160 HydrophobicContact CD1-CB 4.16Å; F117-H160 AromaticContact CD1-CE1 3.96Å; F117-H160 AromaticContact CD1-CG 3.76Å; F117-H160 AromaticContact CD1-ND1 3.68Å; F117-H160 AromaticContact CD2-CD2 3.67Å; F117-H160 AromaticContact CD2-NE2 3.8Å; F117-H160 AromaticContact CE1-CE1 3.78Å; F117-H160 AromaticContact CE1-ND1 3.88Å; F117-H160 AromaticContact CE2-NE2 3.79Å; F117-H160 HydrophobicContact CG-CB 3.99Å; F117-H160 AromaticContact CG-CD2 3.62Å; F117-H160 AromaticContact CG-CG 3.65Å; F117-H160 AromaticContact CZ-CE1 3.89Å; F117-H160 AromaticContact CZ-NE2 3.99Å
118	K	93.6	Very high	92.4	Very high	38 Å²	38	55.4 Å²	55.4	17%	0.165	31%	0.305	C	S	.	.			trans	-125.6	116.7	178.2	178.1	-175.2	178.9	176.8	0	109.5	C69 I72 S74 V75 M116 T122	C69-K118 VanDerWaalsContact O-CD 3.29Å; C69-K118 WeakPolarHBondContact O-CD 3.38Å; C69-K118 WeakPolarHBondContact O-CE 3.47Å; C69-K118 PolarHBondContact O-NZ 2.97Å; I72-K118 HydrophobicContact CG2-CB 4.15Å; I72-K118 HydrophobicContact CG2-CD 3.98Å; I72-K118 VanDerWaalsContact O-CD 3.31Å; I72-K118 WeakPolarHBondContact O-CD 3.23Å; I72-K118 PolarHBondContact O-NZ 2.8Å; S74-K118 CarbonylContact C-O 3.48Å; S74-K118 VanDerWaalsContact CA-O 3.23Å; S74-K118 WeakPolarHBondContact CA-O 3.34Å; V75-K118 PolarHBondContact N-O 2.91Å; M116-K118 PolarHBondContact O-N 3.14Å; K118-T122 HydrophobicContact CG-CG2 4.41Å
119	E	91.5	Very high	92.9	Very high	89 Å²	89	56 Å²	56	42%	0.416	30%	0.3	S	S	.	.			trans	-78.5	158.7	168.2	-58.7	-175.7	153.9	0	0	110.2	F117 T121 T122	F117-E119 HydrophobicContact CD1-CG 4.28Å; F117-E119 HydrophobicContact CE1-CG 3.33Å; F117-E119 HydrophobicContact CZ-CG 3.61Å; E119-T121 PolarHBondContact O-N 3.07Å; E119-T121 VanDerWaalsContact O-N 3.13Å; E119-T122 WeakPolarHBondContact CA-OG1 2.91Å; E119-T122 WeakPolarHBondContact CB-OG1 3.39Å; E119-T122 PolarHBondContact N-OG1 2.97Å; E119-T122 VanDerWaalsContact O-CB 3.28Å; E119-T122 WeakPolarHBondContact O-CB 3.35Å; E119-T122 PolarHBondContact O-N 3.38Å; E119-T122 PolarHBondContact O-OG1 3.5Å
120	E	90.9	Very high	93.3	Very high	119 Å²	119	57.3 Å²	57.3	56%	0.556	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-29.6	176.5	-67.3	167.4	-154.5	0	0	112.5	P76 S77	P76-E120 WeakPolarHBondContact CA-OE1 3.37Å; S77-E120 PolarHBondContact N-OE1 2.68Å; S77-E120 PolarHBondContact OG-OE1 2.54Å
121	T	92.9	Very high	93.6	Very high	122 Å²	122	56.1 Å²	56.1	75%	0.748	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	0.6	180	54.4	0	0	0	0	113.9	E119 D123	E119-T121 PolarHBondContact O-N 3.07Å; E119-T121 VanDerWaalsContact O-N 3.13Å; T121-D123 PolarHBondContact O-N 3.27Å
122	T	93.8	Very high	94	Very high	39 Å²	39	50.3 Å²	50.3	24%	0.239	27%	0.273	C	S	.	.			trans	-68.3	117.1	-174.3	-64.5	0	0	0	0	111.5	K118 E119 C124 V127	K118-T122 HydrophobicContact CG-CG2 4.41Å; E119-T122 WeakPolarHBondContact CA-OG1 2.91Å; E119-T122 WeakPolarHBondContact CB-OG1 3.39Å; E119-T122 PolarHBondContact N-OG1 2.97Å; E119-T122 VanDerWaalsContact O-CB 3.28Å; E119-T122 WeakPolarHBondContact O-CB 3.35Å; E119-T122 PolarHBondContact O-N 3.38Å; E119-T122 PolarHBondContact O-OG1 3.5Å; T122-C124 PolarHBondContact O-N 3.17Å; T122-V127 HydrophobicContact CG2-CG2 4.02Å
123	D	95.7	Very high	94.2	Very high	79 Å²	79	49.9 Å²	49.9	42%	0.422	27%	0.271	S	S	.	.			trans	-81.2	106	165.4	178.5	6.6	0	0	0	110.2	T121 S125 N126	T121-D123 PolarHBondContact O-N 3.27Å; D123-S125 PolarHBondContact O-N 2.89Å; D123-S125 WeakPolarHBondContact OD1-CB 3.25Å; D123-S125 PolarHBondContact OD1-N 2.9Å; D123-S125 PolarHBondContact OD1-OG 2.89Å; D123-N126 PolarHBondContact O-N 3.41Å; D123-N126 PolarHBondContact OD2-ND2 2.94Å; D123-N126 VanDerWaalsContact OD2-ND2 3.09Å
124	C	95.9	Very high	94.4	Very high	15 Å²	15	49.9 Å²	49.9	10%	0.101	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-13.3	179.1	-61.5	0	0	0	0	114.3	R66 C69 K70 T122 N126	R66-C124 WeakPolarHBondContact CG-O 3.49Å; C69-C124 HydrophobicContact CB-CB 3.61Å; C69-C124 WeakPolarHBondContact CB-SG 3.44Å; C69-C124 PolarHBondContact O-SG 2.95Å; C69-C124 VanDerWaalsContact O-SG 3.37Å; C69-C124 WeakPolarHBondContact SG-CA 3.47Å; C69-C124 WeakPolarHBondContact SG-CB 3.33Å; C69-C124 CovalentContact SG-SG 2.04Å; C69-C124 PolarHBondContact SG-SG 3.16Å; K70-C124 HydrophobicContact CG-CB 3.87Å; T122-C124 PolarHBondContact O-N 3.17Å; C124-N126 VanDerWaalsContact C-N 3.32Å
125	S	94.1	Very high	94.6	Very high	69 Å²	69	49.9 Å²	49.9	48%	0.483	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-28.9	174.1	-44.2	0	0	0	0	112.2	R66 D123	R66-S125 PolarHBondContact NE-O 2.98Å; R66-S125 PolarHBondContact NH2-O 3.45Å; D123-S125 PolarHBondContact O-N 2.89Å; D123-S125 WeakPolarHBondContact OD1-CB 3.25Å; D123-S125 PolarHBondContact OD1-N 2.9Å; D123-S125 PolarHBondContact OD1-OG 2.89Å
126	N	94.2	Very high	94.7	Very high	128 Å²	128	49.9 Å²	49.9	68%	0.684	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-11.4	-178	-63.7	-35.4	0	0	0	113.5	D123 C124	D123-N126 PolarHBondContact O-N 3.41Å; D123-N126 PolarHBondContact OD2-ND2 2.94Å; D123-N126 VanDerWaalsContact OD2-ND2 3.09Å; C124-N126 VanDerWaalsContact C-N 3.32Å
127	V	93.3	Very high	94.9	Very high	26 Å²	26	49.8 Å²	49.8	16%	0.158	27%	0.271	C	S	.	.	S	Bend	trans	-64.1	135.9	175.9	176.5	0	0	0	0	109.5	C65 R66 C69 M116 T122	C65-V127 HydrophobicContact CB-CG1 3.86Å; R66-V127 HydrophobicContact CG-CB 4.25Å; R66-V127 VanDerWaalsContact CG-O 3.26Å; R66-V127 WeakPolarHBondContact CG-O 3.25Å; R66-V127 PolarHBondContact NE-O 2.85Å; C69-V127 HydrophobicContact CB-CG2 4.38Å; M116-V127 HydrophobicContact CE-CG1 4.17Å; M116-V127 HydrophobicContact CE-CG2 4.09Å; M116-V127 HydrophobicContact SD-CG1 3.96Å; T122-V127 HydrophobicContact CG2-CG2 4.02Å
128	L	92.3	Very high	95	Very high	143 Å²	143	48.7 Å²	48.7	75%	0.749	27%	0.266	S	S	*	.			trans	-56.8	147.9	172.1	-67.6	175.5	0	0	0	109.8	C65	C65-L128 VanDerWaalsContact CB-O 3.23Å; C65-L128 WeakPolarHBondContact CB-O 3.41Å
129	Q	91	Very high	95	Very high	94 Å²	94	48.8 Å²	48.8	44%	0.439	27%	0.265	S	S	.	.	S	Bend	trans	-75.3	-35.7	-175.6	-67.5	-166.1	48.9	0	0	113	T64 C65 R66	T64-Q129 CarbonylContact C-O 3.58Å; T64-Q129 WeakPolarHBondContact CA-O 3.26Å; T64-Q129 VanDerWaalsContact CB-O 3.31Å; T64-Q129 WeakPolarHBondContact CB-O 3.44Å; T64-Q129 HydrophobicContact CG2-CB 4.4Å; C65-Q129 PolarHBondContact N-O 2.92Å; R66-Q129 HydrophobicContact CG-CG 4.33Å
130	S	92.8	Very high	95	Very high	39 Å²	39	50.7 Å²	50.7	27%	0.273	28%	0.278	S	S	.	.			trans	-103.8	143.7	-166.7	-38.8	0	0	0	0	111.8	C65 D194 N196	C65-S130 VanDerWaalsContact SG-C 3.5Å; S130-D194 CarbonylContact C-O 3.54Å; S130-D194 VanDerWaalsContact CA-O 3.25Å; S130-D194 WeakPolarHBondContact CA-O 3.43Å; S130-D194 PolarHBondContact OG-OD2 3.26Å; S130-N196 WeakPolarHBondContact CB-OD1 3.48Å; S130-N196 PolarHBondContact OG-OD1 2.89Å; S130-N196 VanDerWaalsContact OG-OD1 3.06Å
131	G	95.9	Very high	95.1	Very high	5 Å²	5	46.2 Å²	46.2	5%	0.052	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	-145.3	179.6	0	0	0	0	0	113.6	C65 C162 D194 F195 N196	C65-G131 PolarHBondContact SG-N 2.88Å; G131-C162 VanDerWaalsContact CA-O 3.31Å; G131-C162 WeakPolarHBondContact CA-O 3.36Å; G131-D194 PolarHBondContact N-O 3.08Å; G131-F195 WeakPolarHBondContact O-CA 3.49Å; G131-F195 WeakPolarHBondContact O-CB 2.94Å; G131-N196 PolarHBondContact O-N 2.95Å; G131-N196 VanDerWaalsContact O-N 3.15Å
132	V	97.9	Very high	95.1	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.024	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	125.5	179.7	-175	0	0	0	0	110.8	I134 C162 Y163 R164 C197 I199	V132-I134 HydrophobicContact CG1-CG1 4.32Å; V132-C162 PolarHBondContact N-O 2.7Å; V132-Y163 WeakPolarHBondContact O-CA 3.3Å; V132-Y163 WeakPolarHBondContact O-CB 3.47Å; V132-R164 PolarHBondContact O-N 2.74Å; V132-R164 VanDerWaalsContact O-N 3.08Å; V132-C197 WeakPolarHBondContact CA-O 3.28Å; V132-I199 HydrophobicContact CG1-CD1 4Å; V132-I199 HydrophobicContact CG1-CG1 3.93Å
133	A	98.6	Very high	95	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	130.3	168	0	0	0	0	0	110.1	F166 A189 F195 C197 V198 I199	A133-F166 HydrophobicContact CB-CD2 4.24Å; A133-F166 HydrophobicContact CB-CE2 4.03Å; A133-A189 HydrophobicContact CB-CB 4.26Å; A133-F195 HydrophobicContact CB-CB 4.26Å; A133-F195 HydrophobicContact CB-CD1 3.59Å; A133-F195 HydrophobicContact CB-CD2 3.74Å; A133-F195 HydrophobicContact CB-CE1 3.7Å; A133-F195 HydrophobicContact CB-CE2 3.85Å; A133-F195 HydrophobicContact CB-CG 3.6Å; A133-F195 HydrophobicContact CB-CZ 3.82Å; A133-C197 PolarHBondContact N-O 3.42Å; A133-V198 HydrophobicContact CB-CG2 4.44Å; A133-V198 CarbonylContact O-C 3.58Å; A133-V198 VanDerWaalsContact O-CA 3.27Å; A133-V198 WeakPolarHBondContact O-CA 3.32Å; A133-I199 PolarHBondContact O-N 2.97Å
134	I	98.8	Very high	94.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	115.3	175.3	-58	174.3	0	0	0	107.6	V132 I136 L152 L156 Y163 R164 I165 F166 I199 H201	V132-I134 HydrophobicContact CG1-CG1 4.32Å; I134-I136 HydrophobicContact CG2-CD1 4.33Å; I134-I136 HydrophobicContact CG2-CG1 4.27Å; I134-L152 HydrophobicContact CG2-CD2 4.35Å; I134-L156 HydrophobicContact CD1-CD1 3.24Å; I134-L156 HydrophobicContact CD1-CD2 3.6Å; I134-L156 HydrophobicContact CD1-CG 4.05Å; I134-Y163 HydrophobicContact CD1-CD2 4.28Å; I134-R164 PolarHBondContact N-O 3.5Å; I134-I165 HydrophobicContact CB-CG1 4.31Å; I134-I165 HydrophobicContact CD1-CG1 4.35Å; I134-I165 CarbonylContact O-C 3.6Å; I134-I165 WeakPolarHBondContact O-CA 3.36Å; I134-F166 PolarHBondContact O-N 3.28Å; I134-I199 HydrophobicContact CG1-CB 4.37Å; I134-H201 HydrophobicContact CG2-CB 4.36Å
135	I	98.8	Very high	94.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	121.1	-174.8	-58.7	172.3	0	0	0	108.9	F166 I168 M182 G185 F186 V198 I199 F200 H201	I135-F166 WeakPolarHBondContact CA-O 3.47Å; I135-F166 HydrophobicContact CG1-CB 4.43Å; I135-I168 HydrophobicContact CG2-CG1 4.01Å; I135-M182 HydrophobicContact CB-SD 4.44Å; I135-M182 HydrophobicContact CG2-SD 3.69Å; I135-G185 VanDerWaalsContact CD1-C 3.49Å; I135-F186 HydrophobicContact CD1-CB 4Å; I135-F186 VanDerWaalsContact CD1-N 3.33Å; I135-V198 HydrophobicContact CD1-CG2 3.37Å; I135-V198 HydrophobicContact CG1-CG2 3.91Å; I135-I199 PolarHBondContact N-O 3.44Å; I135-F200 HydrophobicContact CB-CD1 4.05Å; I135-F200 HydrophobicContact CB-CE1 4.33Å; I135-F200 HydrophobicContact CD1-CD1 4.26Å; I135-F200 HydrophobicContact CD1-CE1 3.69Å; I135-F200 HydrophobicContact CD1-CZ 4.45Å; I135-F200 HydrophobicContact CG2-CD1 4.32Å; I135-H201 PolarHBondContact O-N 2.55Å
136	I	98.7	Very high	94.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	122.2	-179.3	-59.2	165	0	0	0	108.7	I134 L145 L149 I165 F166 V167 I168 H201 A203	I134-I136 HydrophobicContact CG2-CD1 4.33Å; I134-I136 HydrophobicContact CG2-CG1 4.27Å; I136-L145 HydrophobicContact CB-CD1 4.41Å; I136-L145 HydrophobicContact CD1-CD1 3.93Å; I136-L145 HydrophobicContact CG2-CD1 3.7Å; I136-L149 HydrophobicContact CD1-CD2 4.01Å; I136-I165 HydrophobicContact CD1-CG2 4.01Å; I136-F166 PolarHBondContact N-O 3.05Å; I136-V167 CarbonylContact O-C 3.12Å; I136-V167 WeakPolarHBondContact O-CA 3.27Å; I136-I168 PolarHBondContact O-N 3.38Å; I136-H201 WeakPolarHBondContact CA-O 3.41Å; I136-H201 HydrophobicContact CG1-CB 4.01Å; I136-A203 HydrophobicContact CG2-CB 3.61Å
137	V	98.1	Very high	94.6	Very high	13 Å²	13	34.5 Å²	34.5	8%	0.079	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	121.3	169.1	170	0	0	0	0	108.6	I168 L176 K178 L181 M182	V137-I168 WeakPolarHBondContact CA-O 3.42Å; V137-I168 HydrophobicContact CG2-CB 4.37Å; V137-L176 HydrophobicContact CG1-CD1 4.31Å; V137-K178 HydrophobicContact CB-CG 4.31Å; V137-K178 HydrophobicContact CG1-CG 4.36Å; V137-K178 HydrophobicContact CG2-CG 4.5Å; V137-L181 HydrophobicContact CG1-CB 4.29Å; V137-L181 HydrophobicContact CG1-CD1 3.65Å; V137-L181 HydrophobicContact CG2-CB 3.52Å; V137-L181 HydrophobicContact CG2-CD1 4.42Å; V137-M182 HydrophobicContact CB-CE 3.88Å; V137-M182 HydrophobicContact CB-SD 4.39Å; V137-M182 HydrophobicContact CG2-CE 3.62Å; V137-M182 HydrophobicContact CG2-CG 4.06Å; V137-M182 HydrophobicContact CG2-SD 3.49Å; V137-M182 WeakPolarHBondContact CG2-SD 3.49Å
138	C	95.5	Very high	94.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.164	C	C	.	.			trans	-133.5	119.1	-180	-177.8	0	0	0	0	110.1	L145 V167 I168 E169 A203	C138-L145 HydrophobicContact CB-CD2 4.02Å; C138-V167 HydrophobicContact CB-CG1 3.84Å; C138-I168 PolarHBondContact N-O 2.76Å; C138-E169 WeakPolarHBondContact O-CA 3.37Å; C138-E169 VanDerWaalsContact O-CB 3.29Å; C138-E169 WeakPolarHBondContact O-CB 3.19Å; C138-E169 WeakPolarHBondContact O-CG 3.38Å; C138-A203 HydrophobicContact CB-CB 4.26Å
139	R	93.4	Very high	94.7	Very high	40 Å²	40	26.5 Å²	26.5	15%	0.151	13%	0.128	C	C	.	.	S	Bend	trans	-140.4	127.2	166.1	-167.3	-179.7	71.5	-175.7	4.1	107.7	R141 E169 Q170 G172 G174 L176	R139-R141 PolarHBondContact O-N 2.85Å; R139-E169 HydrophobicContact CB-CG 4.4Å; R139-E169 HydrophobicContact CG-CG 4.28Å; R139-Q170 WeakPolarHBondContact CD-O 3.32Å; R139-G172 PolarHBondContact NH1-O 3.23Å; R139-G174 VanDerWaalsContact CZ-O 3.23Å; R139-G174 PolarHBondContact NH1-O 2.87Å; R139-G174 PolarHBondContact NH2-O 3.09Å; R139-L176 HydrophobicContact CB-CD1 4.21Å
140	D	91.4	Very high	94.7	Very high	129 Å²	129	23.2 Å²	23.2	69%	0.69	12%	0.116	S	C	*	.	S	Bend	trans	56.9	27.2	-178.2	-47.6	-46.8	0	0	0	114.4
141	R	93	Very high	94.6	Very high	25 Å²	25	22.4 Å²	22.4	9%	0.094	11%	0.11	C	C	.	.			trans	-133.3	28.3	-178.2	-69.2	-176	179.2	-167.2	-11.7	113.2	R139 K143 Q144 L145 D204 H301	R139-R141 PolarHBondContact O-N 2.85Å; R141-K143 VanDerWaalsContact C-N 3.31Å; R141-K143 PolarHBondContact O-N 3.18Å; R141-Q144 HydrophobicContact CB-CB 4.41Å; R141-Q144 PolarHBondContact O-N 3.1Å; R141-Q144 VanDerWaalsContact O-N 3.16Å; R141-Q144 PolarHBondContact O-OE1 3.04Å; R141-L145 WeakPolarHBondContact O-CB 3.4Å; R141-L145 PolarHBondContact O-N 3.3Å; R141-D204 IonicContact CZ-OD2 3.67Å; R141-D204 VanDerWaalsContact CZ-OD2 3.24Å; R141-D204 IonicContact NH1-OD1 3.68Å; R141-D204 IonicContact NH1-OD2 3.42Å; R141-D204 PolarHBondContact NH1-OD2 2.93Å; R141-D204 IonicContact NH2-OD2 2.58Å; R141-H301 PolarHBondContact NH2-CE1 3.3Å; R141-H301 PolarHBondContact NH2-ND1 2.79Å; R141-H301 VanDerWaalsContact NH2-ND1 3.16Å; R141-H301 PolarHBondContact NH2-NE2 3.35Å
142	W	93.7	Very high	94.5	Very high	83 Å²	83	22.2 Å²	22.2	31%	0.314	11%	0.108	S	C	.	.	H	α-helix	trans	-60.8	-38.3	-173.1	-70.8	105.2	0	0	0	113.4	L145 N146 V167 E169 Y344 Y346	W142-L145 HydrophobicContact CE3-CD2 3.86Å; W142-L145 HydrophobicContact CZ3-CD2 3.82Å; W142-L145 PolarHBondContact O-N 3.28Å; W142-N146 PolarHBondContact O-N 2.58Å; W142-V167 HydrophobicContact CH2-CG1 4.32Å; W142-V167 HydrophobicContact CZ3-CG1 4.41Å; W142-E169 WeakPolarHBondContact CZ2-OE2 3.32Å; W142-Y344 HydrophobicContact CZ3-CE2 4.41Å; W142-Y346 AromaticContact CH2-CD2 3.65Å; W142-Y346 HydrophobicContact CH2-CD2 3.65Å; W142-Y346 AromaticContact CH2-CE2 3.53Å; W142-Y346 HydrophobicContact CH2-CE2 3.53Å; W142-Y346 HydrophobicContact CZ2-CD2 4.37Å; W142-Y346 AromaticContact CZ2-CE2 3.78Å; W142-Y346 HydrophobicContact CZ2-CE2 3.78Å
143	K	91.9	Very high	94.3	Very high	64 Å²	64	22.4 Å²	22.4	28%	0.278	11%	0.109	S	C	.	.	H	α-helix	trans	-62.4	-47.6	174.6	179.8	177.6	176.5	175.1	0	111.5	N96 E97 R141 N146 N147	N96-K143 VanDerWaalsContact O-CE 3.22Å; N96-K143 WeakPolarHBondContact O-CE 3.27Å; N96-K143 PolarHBondContact O-NZ 3.49Å; E97-K143 WeakPolarHBondContact O-CE 3.48Å; E97-K143 PolarHBondContact O-NZ 3.18Å; R141-K143 VanDerWaalsContact C-N 3.31Å; R141-K143 PolarHBondContact O-N 3.18Å; K143-N146 PolarHBondContact O-N 2.78Å; K143-N147 PolarHBondContact O-N 3.37Å; K143-N147 VanDerWaalsContact O-N 3.11Å; K143-N147 PolarHBondContact O-ND2 3.49Å
144	Q	93.5	Very high	94	Very high	28 Å²	28	23 Å²	23	13%	0.131	11%	0.113	C	C	.	.	H	α-helix	trans	-62.5	-45.7	178.6	-69.2	75.8	12.4	0	0	110.8	R141 N146 N147 T148 A203 D204 Q299 P300	R141-Q144 HydrophobicContact CB-CB 4.41Å; R141-Q144 PolarHBondContact O-N 3.1Å; R141-Q144 VanDerWaalsContact O-N 3.16Å; R141-Q144 PolarHBondContact O-OE1 3.04Å; Q144-N146 VanDerWaalsContact C-N 3.29Å; Q144-N146 PolarHBondContact O-N 2.84Å; Q144-N147 PolarHBondContact O-N 3.47Å; Q144-T148 PolarHBondContact O-N 3.1Å; Q144-T148 PolarHBondContact O-OG1 3.18Å; Q144-A203 CarbonylContact C-O 3.48Å; Q144-D204 HydrophobicContact CB-CB 4.07Å; Q144-D204 HydrophobicContact CG-CB 4.21Å; Q144-Q299 HydrophobicContact CB-CB 4.42Å; Q144-Q299 HydrophobicContact CG-CB 3.77Å; Q144-Q299 PolarHBondContact O-NE2 2.97Å; Q144-P300 PolarHBondContact NE2-O 2.87Å
145	L	94.9	Very high	93.8	Very high	2 Å²	2	23 Å²	23	1%	0.01	11%	0.113	C	C	.	.	H	α-helix	trans	-55.1	-47	175.6	176.6	64.6	0	0	0	111	I136 C138 R141 W142 N147 T148 L149 V167 A203	I136-L145 HydrophobicContact CB-CD1 4.41Å; I136-L145 HydrophobicContact CD1-CD1 3.93Å; I136-L145 HydrophobicContact CG2-CD1 3.7Å; C138-L145 HydrophobicContact CB-CD2 4.02Å; R141-L145 WeakPolarHBondContact O-CB 3.4Å; R141-L145 PolarHBondContact O-N 3.3Å; W142-L145 HydrophobicContact CE3-CD2 3.86Å; W142-L145 HydrophobicContact CZ3-CD2 3.82Å; W142-L145 PolarHBondContact O-N 3.28Å; L145-N147 PolarHBondContact O-N 3.22Å; L145-T148 PolarHBondContact O-N 3.15Å; L145-L149 HydrophobicContact CD1-CD1 4.04Å; L145-L149 HydrophobicContact CD1-CG 4.02Å; L145-L149 HydrophobicContact CG-CD1 4Å; L145-L149 HydrophobicContact CG-CG 4.34Å; L145-L149 WeakPolarHBondContact O-CG 3.39Å; L145-L149 PolarHBondContact O-N 3.31Å; L145-V167 HydrophobicContact CD1-CG2 4.4Å; L145-V167 HydrophobicContact CD2-CG1 3.86Å; L145-V167 HydrophobicContact CD2-CG2 3.97Å; L145-A203 WeakPolarHBondContact CA-O 3.11Å; L145-A203 HydrophobicContact CB-CB 4.32Å; L145-A203 HydrophobicContact CD1-CB 4.31Å; L145-A203 PolarHBondContact N-O 2.98Å
146	N	92.5	Very high	93.6	Very high	22 Å²	22	23 Å²	23	12%	0.118	11%	0.113	C	C	.	.	H	α-helix	trans	-60.3	-47.7	-179.3	-134.8	46.1	0	0	0	111.5	M99 N100 I102 W142 K143 Q144 T148 L149 S150	M99-N146 HydrophobicContact CG-CB 3.88Å; M99-N146 VanDerWaalsContact CG-ND2 3.3Å; M99-N146 WeakPolarHBondContact CG-ND2 2.86Å; M99-N146 HydrophobicContact SD-CB 4.34Å; N100-N146 PolarHBondContact O-ND2 3.08Å; I102-N146 WeakPolarHBondContact CD1-OD1 3.08Å; W142-N146 PolarHBondContact O-N 2.58Å; K143-N146 PolarHBondContact O-N 2.78Å; Q144-N146 VanDerWaalsContact C-N 3.29Å; Q144-N146 PolarHBondContact O-N 2.84Å; N146-T148 VanDerWaalsContact C-N 3.33Å; N146-T148 PolarHBondContact O-N 3.02Å; N146-L149 PolarHBondContact O-N 2.94Å; N146-S150 PolarHBondContact O-N 2.96Å; N146-S150 PolarHBondContact O-OG 3.14Å
147	N	90.9	Very high	93.4	Very high	8 Å²	8	23 Å²	23	4%	0.043	11%	0.113	C	C	.	.	H	α-helix	trans	-60.6	-41	176.1	-66.4	-21.9	0	0	0	112.6	N100 K143 Q144 L145 S150 S151 I206 Q299	N100-N147 VanDerWaalsContact CB-OD1 3.31Å; N100-N147 WeakPolarHBondContact CB-OD1 3.33Å; N100-N147 PolarHBondContact ND2-OD1 3.08Å; K143-N147 PolarHBondContact O-N 3.37Å; K143-N147 VanDerWaalsContact O-N 3.11Å; K143-N147 PolarHBondContact O-ND2 3.49Å; Q144-N147 PolarHBondContact O-N 3.47Å; L145-N147 PolarHBondContact O-N 3.22Å; N147-S150 PolarHBondContact O-N 2.84Å; N147-S151 PolarHBondContact O-N 3.26Å; N147-I206 HydrophobicContact CB-CD1 4.05Å; N147-Q299 PolarHBondContact ND2-OE1 2.97Å
148	T	94	Very high	93.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.7	-46.9	175.6	-75.2	0	0	0	0	110.8	Q144 L145 N146 S150 S151 L152 A203 L205 Q299	Q144-T148 PolarHBondContact O-N 3.1Å; Q144-T148 PolarHBondContact O-OG1 3.18Å; L145-T148 PolarHBondContact O-N 3.15Å; N146-T148 VanDerWaalsContact C-N 3.33Å; N146-T148 PolarHBondContact O-N 3.02Å; T148-S150 PolarHBondContact O-N 3.04Å; T148-S151 PolarHBondContact O-N 3.47Å; T148-L152 WeakPolarHBondContact O-CB 3.35Å; T148-L152 PolarHBondContact O-N 3.38Å; T148-A203 PolarHBondContact OG1-O 3.19Å; T148-L205 WeakPolarHBondContact CG2-O 3.42Å; T148-L205 PolarHBondContact OG1-O 2.86Å; T148-Q299 PolarHBondContact OG1-NE2 3.29Å
149	L	93.9	Very high	93	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64.8	-38.6	178.1	-68.7	179.3	0	0	0	112.4	I102 I136 L145 N146 S151 L152 I153 I165 Y344	I102-L149 HydrophobicContact CD1-CB 3.82Å; I102-L149 HydrophobicContact CD1-CD1 4.04Å; I102-L149 HydrophobicContact CG1-CB 4.24Å; I136-L149 HydrophobicContact CD1-CD2 4.01Å; L145-L149 HydrophobicContact CD1-CD1 4.04Å; L145-L149 HydrophobicContact CD1-CG 4.02Å; L145-L149 HydrophobicContact CG-CD1 4Å; L145-L149 HydrophobicContact CG-CG 4.34Å; L145-L149 WeakPolarHBondContact O-CG 3.39Å; L145-L149 PolarHBondContact O-N 3.31Å; N146-L149 PolarHBondContact O-N 2.94Å; L149-S151 PolarHBondContact O-N 2.89Å; L149-S151 VanDerWaalsContact O-N 3.15Å; L149-L152 PolarHBondContact O-N 2.94Å; L149-I153 HydrophobicContact CB-CD1 3.96Å; L149-I153 HydrophobicContact CD2-CD1 4.43Å; L149-I153 WeakPolarHBondContact O-CB 2.88Å; L149-I153 WeakPolarHBondContact O-CG1 3.18Å; L149-I153 PolarHBondContact O-N 2.91Å; L149-I165 HydrophobicContact CD2-CD1 3.89Å; L149-I165 HydrophobicContact CD2-CG2 4.22Å; L149-Y344 HydrophobicContact CD1-CD1 3.71Å; L149-Y344 HydrophobicContact CD1-CE1 4.02Å
150	S	89.8	Confident	93.1	Very high	25 Å²	25	27.5 Å²	27.5	18%	0.175	13%	0.134	C	C	.	.	H	α-helix	trans	-57.8	-26.7	175.5	-59.2	0	0	0	0	113.6	L101 I102 N146 N147 T148 P154	L101-S150 PolarHBondContact O-OG 3.01Å; I102-S150 WeakPolarHBondContact CA-OG 3.29Å; N146-S150 PolarHBondContact O-N 2.96Å; N146-S150 PolarHBondContact O-OG 3.14Å; N147-S150 PolarHBondContact O-N 2.84Å; T148-S150 PolarHBondContact O-N 3.04Å; S150-P154 WeakPolarHBondContact O-CD 3.35Å; S150-P154 WeakPolarHBondContact O-CG 2.88Å
151	S	91	Very high	93.2	Very high	23 Å²	23	22.5 Å²	22.5	16%	0.161	11%	0.107	C	C	.	.	H	α-helix	trans	-97.9	-42.6	176.1	-179.9	0	0	0	0	112.4	N147 T148 L149 P154 V155 P207	N147-S151 PolarHBondContact O-N 3.26Å; T148-S151 PolarHBondContact O-N 3.47Å; L149-S151 PolarHBondContact O-N 2.89Å; L149-S151 VanDerWaalsContact O-N 3.15Å; S151-P154 WeakPolarHBondContact O-CD 3.32Å; S151-V155 WeakPolarHBondContact O-CG2 3.38Å; S151-V155 PolarHBondContact O-N 3.08Å; S151-P207 PolarHBondContact OG-O 2.97Å
152	L	94.5	Very high	93.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-66.5	-46.6	-175.5	180	62.2	0	0	0	112	I134 T148 L149 V155 L156 P207 H214	I134-L152 HydrophobicContact CG2-CD2 4.35Å; T148-L152 WeakPolarHBondContact O-CB 3.35Å; T148-L152 PolarHBondContact O-N 3.38Å; L149-L152 PolarHBondContact O-N 2.94Å; L152-V155 WeakPolarHBondContact O-CA 3.02Å; L152-V155 VanDerWaalsContact O-CB 3.31Å; L152-V155 WeakPolarHBondContact O-CB 3.1Å; L152-V155 PolarHBondContact O-N 3.43Å; L152-L156 HydrophobicContact CD1-CD1 4.39Å; L152-L156 HydrophobicContact CD1-CD2 4.1Å; L152-L156 HydrophobicContact CD1-CG 4.08Å; L152-L156 HydrophobicContact CG-CD1 3.97Å; L152-L156 HydrophobicContact CG-CG 4.14Å; L152-L156 VanDerWaalsContact O-CG 3.31Å; L152-L156 WeakPolarHBondContact O-CG 3.39Å; L152-L156 PolarHBondContact O-N 3.36Å; L152-P207 HydrophobicContact CB-CG 4.4Å; L152-P207 HydrophobicContact CD1-CG 4.29Å; L152-H214 WeakPolarHBondContact CD1-NE2 3.31Å
153	I	94.1	Very high	93.6	Very high	8 Å²	8	18.4 Å²	18.4	4%	0.041	9%	0.094	C	C	.	.	H	α-helix	trans	-56.9	-48.9	-177.9	-71.1	159.5	0	0	0	111.5	I102 Q109 L149 V155 L156 Q157 I165 H343	I102-I153 HydrophobicContact CG2-CD1 4.07Å; Q109-I153 VanDerWaalsContact OE1-CD1 3.28Å; L149-I153 HydrophobicContact CB-CD1 3.96Å; L149-I153 HydrophobicContact CD2-CD1 4.43Å; L149-I153 WeakPolarHBondContact O-CB 2.88Å; L149-I153 WeakPolarHBondContact O-CG1 3.18Å; L149-I153 PolarHBondContact O-N 2.91Å; I153-V155 VanDerWaalsContact C-N 3.3Å; I153-V155 PolarHBondContact O-N 2.84Å; I153-L156 PolarHBondContact O-N 3.07Å; I153-Q157 HydrophobicContact CG2-CG 4.43Å; I153-Q157 WeakPolarHBondContact O-CG 3.16Å; I153-Q157 PolarHBondContact O-N 3.31Å; I153-I165 HydrophobicContact CD1-CD1 4.44Å; I153-I165 HydrophobicContact CG1-CD1 3.91Å; I153-H343 HydrophobicContact CD1-CB 3.98Å
154	P	91.6	Very high	93.9	Very high	13 Å²	13	15.7 Å²	15.7	8%	0.084	8%	0.082	C	C	.	.	H	α-helix	trans	-55.9	-39	171.8	-29.7	35.4	0	0	0	114.6	F106 S150 S151 Q157 R158	F106-P154 HydrophobicContact CD2-CB 3.79Å; F106-P154 HydrophobicContact CD2-CG 3.72Å; F106-P154 HydrophobicContact CE2-CB 3.57Å; F106-P154 HydrophobicContact CE2-CG 3.85Å; F106-P154 HydrophobicContact CZ-CB 4.23Å; S150-P154 WeakPolarHBondContact O-CD 3.35Å; S150-P154 WeakPolarHBondContact O-CG 2.88Å; S151-P154 WeakPolarHBondContact O-CD 3.32Å; P154-Q157 PolarHBondContact O-N 2.93Å; P154-R158 VanDerWaalsContact CB-NH1 3.29Å; P154-R158 WeakPolarHBondContact O-CB 3.39Å; P154-R158 WeakPolarHBondContact O-CG 3.14Å; P154-R158 PolarHBondContact O-N 3.19Å; P154-R158 PolarHBondContact O-NH1 3.32Å
155	V	93.9	Very high	94.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.2	-50	175.4	170	0	0	0	0	110.6	M89 S151 L152 I153 Q157 R158 Q159 P207 D210	M89-V155 HydrophobicContact CE-CG2 3.43Å; M89-V155 VanDerWaalsContact CE-CG2 3.43Å; M89-V155 HydrophobicContact SD-CG2 3.45Å; M89-V155 WeakPolarHBondContact SD-CG2 3.43Å; S151-V155 WeakPolarHBondContact O-CG2 3.38Å; S151-V155 PolarHBondContact O-N 3.08Å; L152-V155 WeakPolarHBondContact O-CA 3.02Å; L152-V155 VanDerWaalsContact O-CB 3.31Å; L152-V155 WeakPolarHBondContact O-CB 3.1Å; L152-V155 PolarHBondContact O-N 3.43Å; I153-V155 VanDerWaalsContact C-N 3.3Å; I153-V155 PolarHBondContact O-N 2.84Å; V155-Q157 VanDerWaalsContact C-N 3.27Å; V155-Q157 PolarHBondContact O-N 2.82Å; V155-R158 PolarHBondContact O-N 3.08Å; V155-Q159 WeakPolarHBondContact O-CG 3.13Å; V155-Q159 PolarHBondContact O-N 3.36Å; V155-P207 HydrophobicContact CG2-CG 4.21Å; V155-D210 HydrophobicContact CB-CB 4.44Å; V155-D210 HydrophobicContact CG1-CB 4.22Å; V155-D210 HydrophobicContact CG2-CB 3.91Å
156	L	95.5	Very high	94.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61	-38.8	-179.7	-59.1	172	0	0	0	111.8	I134 L152 I153 Q159 H160 L161 Y163 I165 H214	I134-L156 HydrophobicContact CD1-CD1 3.24Å; I134-L156 HydrophobicContact CD1-CD2 3.6Å; I134-L156 HydrophobicContact CD1-CG 4.05Å; L152-L156 HydrophobicContact CD1-CD1 4.39Å; L152-L156 HydrophobicContact CD1-CD2 4.1Å; L152-L156 HydrophobicContact CD1-CG 4.08Å; L152-L156 HydrophobicContact CG-CD1 3.97Å; L152-L156 HydrophobicContact CG-CG 4.14Å; L152-L156 VanDerWaalsContact O-CG 3.31Å; L152-L156 WeakPolarHBondContact O-CG 3.39Å; L152-L156 PolarHBondContact O-N 3.36Å; I153-L156 PolarHBondContact O-N 3.07Å; L156-Q159 PolarHBondContact O-N 2.94Å; L156-H160 PolarHBondContact O-N 2.96Å; L156-L161 HydrophobicContact CD2-CD1 3.88Å; L156-L161 PolarHBondContact O-N 2.83Å; L156-Y163 HydrophobicContact CB-CD1 3.9Å; L156-Y163 HydrophobicContact CB-CE1 3.51Å; L156-Y163 HydrophobicContact CD1-CD1 4.26Å; L156-Y163 HydrophobicContact CD1-CD2 3.82Å; L156-Y163 HydrophobicContact CD1-CE1 4.07Å; L156-Y163 HydrophobicContact CD1-CE2 3.62Å; L156-Y163 HydrophobicContact CD1-CG 4.14Å; L156-Y163 HydrophobicContact CG-CE1 4.43Å; L156-I165 HydrophobicContact CD1-CD1 4.25Å; L156-H214 HydrophobicContact CD2-CB 3.5Å; L156-H214 VanDerWaalsContact CD2-CB 3.5Å
157	Q	93.4	Very high	94.6	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-71.4	-40.6	178.9	-71.5	173.7	-37.2	0	0	112.3	L83 Y107 W115 I153 P154 V155 Q159 H160	L83-Q157 HydrophobicContact CD2-CB 4.09Å; Y107-Q157 PolarHBondContact O-NE2 2.87Å; W115-Q157 HydrophobicContact CD2-CG 3.76Å; W115-Q157 HydrophobicContact CE3-CB 4.5Å; W115-Q157 HydrophobicContact CE3-CG 3.77Å; W115-Q157 HydrophobicContact CG-CG 4.45Å; W115-Q157 HydrophobicContact CH2-CB 3.86Å; W115-Q157 HydrophobicContact CH2-CG 3.86Å; W115-Q157 HydrophobicContact CZ2-CB 4.18Å; W115-Q157 HydrophobicContact CZ2-CG 3.88Å; W115-Q157 HydrophobicContact CZ3-CB 4.05Å; W115-Q157 HydrophobicContact CZ3-CG 3.82Å; I153-Q157 HydrophobicContact CG2-CG 4.43Å; I153-Q157 WeakPolarHBondContact O-CG 3.16Å; I153-Q157 PolarHBondContact O-N 3.31Å; P154-Q157 PolarHBondContact O-N 2.93Å; V155-Q157 VanDerWaalsContact C-N 3.27Å; V155-Q157 PolarHBondContact O-N 2.82Å; Q157-Q159 PolarHBondContact O-N 3.46Å; Q157-H160 PolarHBondContact O-CD2 2.99Å; Q157-H160 VanDerWaalsContact O-CD2 3.27Å; Q157-H160 PolarHBondContact O-N 3.43Å
158	R	92.7	Very high	94.9	Very high	17 Å²	17	12.8 Å²	12.8	6%	0.064	7%	0.068	C	C	.	.	H	α-helix	trans	-63.7	-25.6	172.1	-74	-167.7	-71	-76.8	-2.6	113.3	L83 K84 M89 P154 V155 H160 D210	L83-R158 VanDerWaalsContact O-CA 3.32Å; L83-R158 WeakPolarHBondContact O-CA 3.48Å; L83-R158 WeakPolarHBondContact O-CB 3.41Å; L83-R158 WeakPolarHBondContact O-CG 3.43Å; K84-R158 VanDerWaalsContact O-CD 3.25Å; K84-R158 WeakPolarHBondContact O-CD 3.22Å; M89-R158 PolarHBondContact SD-NH2 3.31Å; P154-R158 VanDerWaalsContact CB-NH1 3.29Å; P154-R158 WeakPolarHBondContact O-CB 3.39Å; P154-R158 WeakPolarHBondContact O-CG 3.14Å; P154-R158 PolarHBondContact O-N 3.19Å; P154-R158 PolarHBondContact O-NH1 3.32Å; V155-R158 PolarHBondContact O-N 3.08Å; R158-H160 PolarHBondContact O-N 3.41Å; R158-D210 WeakPolarHBondContact CD-OD2 3.47Å; R158-D210 IonicContact CZ-OD2 3.41Å; R158-D210 IonicContact NE-OD2 2.65Å; R158-D210 PolarHBondContact NE-OD2 2.98Å; R158-D210 IonicContact NH2-OD2 3.43Å
159	Q	94.2	Very high	95.1	Very high	47 Å²	47	14.1 Å²	14.1	22%	0.22	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	1.9	173.1	-69.5	179.2	15.3	0	0	113.4	V155 L156 Q157 L161 D210 I212	V155-Q159 WeakPolarHBondContact O-CG 3.13Å; V155-Q159 PolarHBondContact O-N 3.36Å; L156-Q159 PolarHBondContact O-N 2.94Å; Q157-Q159 PolarHBondContact O-N 3.46Å; Q159-L161 HydrophobicContact CB-CD1 4.05Å; Q159-L161 HydrophobicContact CB-CD2 4.04Å; Q159-L161 HydrophobicContact CB-CG 3.64Å; Q159-L161 WeakPolarHBondContact O-CD2 3.37Å; Q159-L161 PolarHBondContact O-N 2.83Å; Q159-L161 VanDerWaalsContact O-N 3.13Å; Q159-D210 PolarHBondContact NE2-O 3.32Å; Q159-I212 PolarHBondContact NE2-O 2.98Å
160	H	93.9	Very high	95.3	Very high	83 Å²	83	14.7 Å²	14.7	38%	0.384	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	31.7	-179.4	-61.5	172.2	0	0	0	113.7	F117 L156 Q157 R158	F117-H160 HydrophobicContact CB-CB 3.63Å; F117-H160 HydrophobicContact CD1-CB 4.16Å; F117-H160 AromaticContact CD1-CE1 3.96Å; F117-H160 AromaticContact CD1-CG 3.76Å; F117-H160 AromaticContact CD1-ND1 3.68Å; F117-H160 AromaticContact CD2-CD2 3.67Å; F117-H160 AromaticContact CD2-NE2 3.8Å; F117-H160 AromaticContact CE1-CE1 3.78Å; F117-H160 AromaticContact CE1-ND1 3.88Å; F117-H160 AromaticContact CE2-NE2 3.79Å; F117-H160 HydrophobicContact CG-CB 3.99Å; F117-H160 AromaticContact CG-CD2 3.62Å; F117-H160 AromaticContact CG-CG 3.65Å; F117-H160 AromaticContact CZ-CE1 3.89Å; F117-H160 AromaticContact CZ-NE2 3.99Å; L156-H160 PolarHBondContact O-N 2.96Å; Q157-H160 PolarHBondContact O-CD2 2.99Å; Q157-H160 VanDerWaalsContact O-CD2 3.27Å; Q157-H160 PolarHBondContact O-N 3.43Å; R158-H160 PolarHBondContact O-N 3.41Å
161	L	95.1	Very high	95.7	Very high	24 Å²	24	18.7 Å²	18.7	13%	0.126	9%	0.091	C	C	.	.			trans	-75.5	145	-174.7	-58.6	-177.9	0	0	0	111.5	W115 M116 L156 Q159 Y163 H214 G215	W115-L161 WeakPolarHBondContact CZ3-O 3.22Å; M116-L161 WeakPolarHBondContact CA-O 3.27Å; L156-L161 HydrophobicContact CD2-CD1 3.88Å; L156-L161 PolarHBondContact O-N 2.83Å; Q159-L161 HydrophobicContact CB-CD1 4.05Å; Q159-L161 HydrophobicContact CB-CD2 4.04Å; Q159-L161 HydrophobicContact CB-CG 3.64Å; Q159-L161 WeakPolarHBondContact O-CD2 3.37Å; Q159-L161 PolarHBondContact O-N 2.83Å; Q159-L161 VanDerWaalsContact O-N 3.13Å; L161-Y163 HydrophobicContact CB-CD1 4.04Å; L161-Y163 WeakPolarHBondContact O-CD1 3.16Å; L161-H214 VanDerWaalsContact CD1-C 3.48Å; L161-H214 HydrophobicContact CD1-CB 3.66Å; L161-G215 VanDerWaalsContact CD2-CA 3.44Å
162	C	96.8	Very high	95.9	Very high	21 Å²	21	19.9 Å²	19.9	14%	0.142	11%	0.107	C	C	.	.			trans	-87.2	117.8	156.3	173.5	0	0	0	0	109.3	C65 W115 M116 G131 V132	C65-C162 WeakPolarHBondContact CA-SG 3.39Å; C65-C162 HydrophobicContact CB-CB 3.75Å; C65-C162 WeakPolarHBondContact CB-SG 3.31Å; C65-C162 WeakPolarHBondContact SG-CB 2.91Å; C65-C162 CovalentContact SG-SG 2.01Å; C65-C162 PolarHBondContact SG-SG 3.47Å; W115-C162 WeakPolarHBondContact O-CA 3.22Å; M116-C162 HydrophobicContact CB-CB 3.81Å; G131-C162 VanDerWaalsContact CA-O 3.31Å; G131-C162 WeakPolarHBondContact CA-O 3.36Å; V132-C162 PolarHBondContact N-O 2.7Å
163	Y	97.5	Very high	95.8	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	166.7	-176	68.5	-90.3	0	0	0	112.7	Q109 S114 W115 V132 I134 L156 L161 I165	Q109-Y163 VanDerWaalsContact NE2-CE2 3.28Å; Q109-Y163 PolarHBondContact NE2-OH 3.49Å; Q109-Y163 VanDerWaalsContact NE2-OH 3.08Å; S114-Y163 WeakPolarHBondContact CA-O 3.45Å; W115-Y163 HydrophobicContact CB-CE1 3.93Å; W115-Y163 HydrophobicContact CD2-CE1 4.3Å; W115-Y163 HydrophobicContact CE3-CD1 4.34Å; W115-Y163 AromaticContact CE3-CE1 3.67Å; W115-Y163 HydrophobicContact CE3-CE1 3.67Å; W115-Y163 HydrophobicContact CG-CE1 4.45Å; W115-Y163 PolarHBondContact N-O 2.77Å; W115-Y163 VanDerWaalsContact N-O 3.1Å; W115-Y163 PolarHBondContact O-N 2.76Å; V132-Y163 WeakPolarHBondContact O-CA 3.3Å; V132-Y163 WeakPolarHBondContact O-CB 3.47Å; I134-Y163 HydrophobicContact CD1-CD2 4.28Å; L156-Y163 HydrophobicContact CB-CD1 3.9Å; L156-Y163 HydrophobicContact CB-CE1 3.51Å; L156-Y163 HydrophobicContact CD1-CD1 4.26Å; L156-Y163 HydrophobicContact CD1-CD2 3.82Å; L156-Y163 HydrophobicContact CD1-CE1 4.07Å; L156-Y163 HydrophobicContact CD1-CE2 3.62Å; L156-Y163 HydrophobicContact CD1-CG 4.14Å; L156-Y163 HydrophobicContact CG-CE1 4.43Å; L161-Y163 HydrophobicContact CB-CD1 4.04Å; L161-Y163 WeakPolarHBondContact O-CD1 3.16Å; Y163-I165 HydrophobicContact CD2-CD1 4.35Å; Y163-I165 HydrophobicContact CD2-CG1 3.83Å; Y163-I165 HydrophobicContact CE2-CD1 3.86Å; Y163-I165 HydrophobicContact CE2-CG1 3.8Å
164	R	97.7	Very high	95.8	Very high	7 Å²	7	28.7 Å²	28.7	3%	0.026	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	136.1	164.6	-175.1	168.5	171.3	165.9	-2.3	110.6	D112 V132 I134 F166 F193 E340 T345	D112-R164 PolarHBondContact O-NE 3.26Å; D112-R164 IonicContact OD2-CZ 3.6Å; D112-R164 IonicContact OD2-NE 2.74Å; D112-R164 IonicContact OD2-NH1 2.67Å; D112-R164 PolarHBondContact OD2-NH1 2.79Å; D112-R164 IonicContact OD2-NH2 3.46Å; V132-R164 PolarHBondContact O-N 2.74Å; V132-R164 VanDerWaalsContact O-N 3.08Å; I134-R164 PolarHBondContact N-O 3.5Å; R164-F166 HydrophobicContact CB-CE2 3.83Å; R164-F166 HydrophobicContact CB-CZ 4.12Å; R164-F166 HydrophobicContact CG-CD2 4.48Å; R164-F166 HydrophobicContact CG-CE1 4.33Å; R164-F166 HydrophobicContact CG-CE2 3.75Å; R164-F166 HydrophobicContact CG-CZ 3.67Å; R164-F166 WeakPolarHBondContact O-CD2 3.49Å; R164-F193 HydrophobicContact CB-CB 4.43Å; R164-F193 HydrophobicContact CB-CD1 3.81Å; R164-F193 HydrophobicContact CB-CD2 4.5Å; R164-F193 HydrophobicContact CB-CE1 4.16Å; R164-F193 HydrophobicContact CB-CG 3.99Å; R164-E340 IonicContact CZ-OE1 2.59Å; R164-E340 IonicContact NH2-OE1 2.66Å; R164-E340 PolarHBondContact NH2-OE1 3.2Å; R164-T345 PolarHBondContact NE-OG1 3.2Å; R164-T345 VanDerWaalsContact NE-OG1 3.08Å; R164-T345 PolarHBondContact NH2-OG1 3.25Å
165	I	98.4	Very high	95.9	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	133.2	-178.3	-53	-178.5	0	0	0	110.3	G113 I134 I136 L149 I153 L156 Y163 H343 Y344 T345	G113-I165 PolarHBondContact O-N 3.44Å; I134-I165 HydrophobicContact CB-CG1 4.31Å; I134-I165 HydrophobicContact CD1-CG1 4.35Å; I134-I165 CarbonylContact O-C 3.6Å; I134-I165 WeakPolarHBondContact O-CA 3.36Å; I136-I165 HydrophobicContact CD1-CG2 4.01Å; L149-I165 HydrophobicContact CD2-CD1 3.89Å; L149-I165 HydrophobicContact CD2-CG2 4.22Å; I153-I165 HydrophobicContact CD1-CD1 4.44Å; I153-I165 HydrophobicContact CG1-CD1 3.91Å; L156-I165 HydrophobicContact CD1-CD1 4.25Å; Y163-I165 HydrophobicContact CD2-CD1 4.35Å; Y163-I165 HydrophobicContact CD2-CG1 3.83Å; Y163-I165 HydrophobicContact CE2-CD1 3.86Å; Y163-I165 HydrophobicContact CE2-CG1 3.8Å; I165-H343 WeakPolarHBondContact CB-O 3.33Å; I165-Y344 CarbonylContact O-C 3.53Å; I165-Y344 WeakPolarHBondContact O-CA 3.47Å; I165-T345 PolarHBondContact O-N 3.49Å
166	F	98.7	Very high	96.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	122.4	-179.9	-61.7	-88.5	0	0	0	109.8	A133 I134 I135 I136 R164 I168 A189 R192 F193 T345 F347	A133-F166 HydrophobicContact CB-CD2 4.24Å; A133-F166 HydrophobicContact CB-CE2 4.03Å; I134-F166 PolarHBondContact O-N 3.28Å; I135-F166 WeakPolarHBondContact CA-O 3.47Å; I135-F166 HydrophobicContact CG1-CB 4.43Å; I136-F166 PolarHBondContact N-O 3.05Å; R164-F166 HydrophobicContact CB-CE2 3.83Å; R164-F166 HydrophobicContact CB-CZ 4.12Å; R164-F166 HydrophobicContact CG-CD2 4.48Å; R164-F166 HydrophobicContact CG-CE1 4.33Å; R164-F166 HydrophobicContact CG-CE2 3.75Å; R164-F166 HydrophobicContact CG-CZ 3.67Å; R164-F166 WeakPolarHBondContact O-CD2 3.49Å; F166-I168 HydrophobicContact CB-CD1 4.41Å; F166-A189 HydrophobicContact CD1-CB 4.1Å; F166-A189 HydrophobicContact CD2-CB 3.73Å; F166-A189 HydrophobicContact CE1-CB 3.93Å; F166-A189 HydrophobicContact CE2-CB 3.53Å; F166-A189 HydrophobicContact CG-CB 4.01Å; F166-A189 HydrophobicContact CZ-CB 3.63Å; F166-R192 HydrophobicContact CE1-CB 4.5Å; F166-F193 HydrophobicContact CE2-CB 4.47Å; F166-F193 HydrophobicContact CZ-CB 3.97Å; F166-T345 WeakPolarHBondContact CA-O 3.46Å; F166-F347 AromaticContact CD1-CE2 3.97Å; F166-F347 HydrophobicContact CD1-CE2 3.97Å
167	V	98.6	Very high	96.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	119.7	177.6	177.1	0	0	0	0	109.2	I136 C138 W142 L145 Y344 T345 Y346 F347	I136-V167 CarbonylContact O-C 3.12Å; I136-V167 WeakPolarHBondContact O-CA 3.27Å; C138-V167 HydrophobicContact CB-CG1 3.84Å; W142-V167 HydrophobicContact CH2-CG1 4.32Å; W142-V167 HydrophobicContact CZ3-CG1 4.41Å; L145-V167 HydrophobicContact CD1-CG2 4.4Å; L145-V167 HydrophobicContact CD2-CG1 3.86Å; L145-V167 HydrophobicContact CD2-CG2 3.97Å; V167-Y344 HydrophobicContact CB-CD2 3.76Å; V167-Y344 HydrophobicContact CB-CE2 4.22Å; V167-Y344 HydrophobicContact CB-CG 4.28Å; V167-Y344 HydrophobicContact CG2-CD1 4.15Å; V167-Y344 HydrophobicContact CG2-CD2 3.54Å; V167-Y344 HydrophobicContact CG2-CE2 4.15Å; V167-Y344 HydrophobicContact CG2-CG 3.55Å; V167-T345 PolarHBondContact N-O 2.92Å; V167-Y346 HydrophobicContact CG1-CD2 4.31Å; V167-Y346 CarbonylContact O-C 3.56Å; V167-Y346 WeakPolarHBondContact O-CA 3.22Å; V167-F347 PolarHBondContact O-N 2.77Å
168	I	98.7	Very high	96.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	114.9	-174.5	-44.8	-58.4	0	0	0	109.6	I135 I136 V137 C138 F166 L181 F347 I349	I135-I168 HydrophobicContact CG2-CG1 4.01Å; I136-I168 PolarHBondContact O-N 3.38Å; V137-I168 WeakPolarHBondContact CA-O 3.42Å; V137-I168 HydrophobicContact CG2-CB 4.37Å; C138-I168 PolarHBondContact N-O 2.76Å; F166-I168 HydrophobicContact CB-CD1 4.41Å; I168-L181 HydrophobicContact CG2-CB 4.01Å; I168-L181 HydrophobicContact CG2-CD2 4Å; I168-F347 HydrophobicContact CD1-CB 3.98Å; I168-F347 HydrophobicContact CD1-CD2 3.7Å; I168-F347 HydrophobicContact CD1-CG 4.09Å; I168-I349 HydrophobicContact CG2-CG1 3.67Å
169	E	98.3	Very high	96.6	Very high	28 Å²	28	33.7 Å²	33.7	13%	0.131	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	135.6	177.4	-178	169.5	-149.2	0	0	111	C138 R139 W142 Y346 F347 L348 I349	C138-E169 WeakPolarHBondContact O-CA 3.37Å; C138-E169 VanDerWaalsContact O-CB 3.29Å; C138-E169 WeakPolarHBondContact O-CB 3.19Å; C138-E169 WeakPolarHBondContact O-CG 3.38Å; R139-E169 HydrophobicContact CB-CG 4.4Å; R139-E169 HydrophobicContact CG-CG 4.28Å; W142-E169 WeakPolarHBondContact CZ2-OE2 3.32Å; E169-Y346 HydrophobicContact CB-CE2 3.73Å; E169-Y346 VanDerWaalsContact OE2-CE2 3.24Å; E169-Y346 WeakPolarHBondContact OE2-CE2 3.45Å; E169-Y346 VanDerWaalsContact OE2-CZ 3.25Å; E169-Y346 PolarHBondContact OE2-OH 2.89Å; E169-F347 PolarHBondContact N-O 2.82Å; E169-L348 HydrophobicContact CB-CD1 4.3Å; E169-L348 HydrophobicContact CG-CD1 4.02Å; E169-I349 PolarHBondContact O-N 3.15Å
170	Q	98.1	Very high	96.8	Very high	12 Å²	12	32.5 Å²	32.5	6%	0.056	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	122.3	172.6	-175.6	178	-43	0	0	110.4	R139 I175 L176 L181 L351	R139-Q170 WeakPolarHBondContact CD-O 3.32Å; Q170-I175 PolarHBondContact NE2-O 3.29Å; Q170-L176 HydrophobicContact CB-CD1 4.07Å; Q170-L181 HydrophobicContact CB-CD1 3.69Å; Q170-L181 HydrophobicContact CB-CD2 3.9Å; Q170-L181 HydrophobicContact CB-CG 4.38Å; Q170-L181 HydrophobicContact CG-CD1 4.5Å; Q170-L181 HydrophobicContact CG-CD2 4.44Å; Q170-L351 HydrophobicContact CG-CD1 3.99Å; Q170-L351 HydrophobicContact CG-CG 4.32Å
171	K	97.3	Very high	97.1	Very high	109 Å²	109	28.6 Å²	28.6	47%	0.474	17%	0.17	S	C	.	.			trans	-65.6	139.3	172.5	-172.2	173.2	177.5	-179.8	0	111.2	S336 L348 I349	K171-S336 WeakPolarHBondContact CD-OG 3.38Å; K171-S336 PolarHBondContact NZ-OG 3.02Å; K171-L348 HydrophobicContact CB-CD1 3.87Å; K171-L348 HydrophobicContact CB-CG 4.01Å; K171-L348 HydrophobicContact CD-CD2 4.3Å; K171-L348 HydrophobicContact CD-CG 4.45Å; K171-L348 HydrophobicContact CG-CD1 4.38Å; K171-L348 HydrophobicContact CG-CD2 4.34Å; K171-L348 HydrophobicContact CG-CG 4.33Å; K171-I349 VanDerWaalsContact CB-O 3.32Å; K171-I349 WeakPolarHBondContact CB-O 3.48Å; K171-I349 PolarHBondContact N-O 3.49Å
172	G	94.5	Very high	97.2	Very high	48 Å²	48	27.6 Å²	27.6	50%	0.495	17%	0.165	S	C	.	.	S	Bend	trans	87.2	173.9	176.3	0	0	0	0	0	113.8	R139	R139-G172 PolarHBondContact NH1-O 3.23Å
173	T	92.5	Very high	97.3	Very high	149 Å²	149	26.6 Å²	26.6	91%	0.914	16%	0.158	S	C	*	.	S	Bend	trans	-98.5	2.6	-171.1	54.6	0	0	0	0	113.9
174	G	93.6	Very high	97.4	Very high	44 Å²	44	26.6 Å²	26.6	45%	0.454	16%	0.158	S	C	.	.	S	Bend	trans	-65	174.2	179.4	0	0	0	0	0	113.4	R139 L176	R139-G174 VanDerWaalsContact CZ-O 3.23Å; R139-G174 PolarHBondContact NH1-O 2.87Å; R139-G174 PolarHBondContact NH2-O 3.09Å; G174-L176 PolarHBondContact O-N 2.67Å
175	I	95.3	Very high	97.4	Very high	83 Å²	83	26.3 Å²	26.3	43%	0.426	16%	0.157	S	C	.	.			trans	-56.5	133.8	178.5	-58.7	176.8	0	0	0	110	Q170 W266 G267	Q170-I175 PolarHBondContact NE2-O 3.29Å; I175-W266 HydrophobicContact CG2-CB 4.15Å; I175-W266 WeakPolarHBondContact O-CZ3 3.44Å; I175-G267 VanDerWaalsContact CG2-CA 3.41Å
176	L	96.8	Very high	97.5	Very high	16 Å²	16	26.4 Å²	26.4	8%	0.084	16%	0.158	C	C	.	.			trans	-67.5	136.3	178.5	-173.9	71.4	0	0	0	110.1	V137 R139 Q170 G174 K178 L181 G267	V137-L176 HydrophobicContact CG1-CD1 4.31Å; R139-L176 HydrophobicContact CB-CD1 4.21Å; Q170-L176 HydrophobicContact CB-CD1 4.07Å; G174-L176 PolarHBondContact O-N 2.67Å; L176-K178 HydrophobicContact CD2-CB 4.38Å; L176-L181 HydrophobicContact CD1-CD1 3.62Å; L176-L181 HydrophobicContact CG-CD1 4.44Å; L176-G267 PolarHBondContact O-N 2.99Å
177	N	97.7	Very high	97.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.159	C	C	.	.			trans	-117.8	82.7	168.7	-170.2	-31.2	0	0	0	109.5	A179 R180 L181 N263 Y265 W266 L351	N177-A179 PolarHBondContact O-N 3.36Å; N177-R180 HydrophobicContact CB-CB 4.1Å; N177-R180 PolarHBondContact O-N 2.74Å; N177-R180 WeakPolarHBondContact OD1-CB 3.29Å; N177-R180 PolarHBondContact OD1-N 2.96Å; N177-L181 WeakPolarHBondContact O-CD1 3.32Å; N177-L181 VanDerWaalsContact O-CG 3.26Å; N177-L181 WeakPolarHBondContact O-CG 3.34Å; N177-L181 PolarHBondContact O-N 2.97Å; N177-L181 VanDerWaalsContact O-N 3.13Å; N177-N263 PolarHBondContact ND2-O 3.29Å; N177-Y265 PolarHBondContact OD1-O 2.78Å; N177-Y265 VanDerWaalsContact OD1-O 3.11Å; N177-W266 HydrophobicContact CB-CD2 4.09Å; N177-W266 HydrophobicContact CB-CE3 3.67Å; N177-W266 HydrophobicContact CB-CH2 4.23Å; N177-W266 HydrophobicContact CB-CZ3 3.74Å; N177-L351 HydrophobicContact CB-CD1 3.96Å
178	K	97.7	Very high	97.4	Very high	36 Å²	36	27 Å²	27	16%	0.157	16%	0.161	C	C	.	.	H	α-helix	trans	-58	-49.1	-174.2	179.5	-174	169.4	-169.3	0	111.8	V137 L176 R180 L181 M182 D202 E271	V137-K178 HydrophobicContact CB-CG 4.31Å; V137-K178 HydrophobicContact CG1-CG 4.36Å; V137-K178 HydrophobicContact CG2-CG 4.5Å; L176-K178 HydrophobicContact CD2-CB 4.38Å; K178-R180 PolarHBondContact O-N 2.69Å; K178-L181 PolarHBondContact O-N 3.28Å; K178-L181 VanDerWaalsContact O-N 3.16Å; K178-M182 HydrophobicContact CG-CE 4.33Å; K178-M182 WeakPolarHBondContact O-CG 3.36Å; K178-M182 PolarHBondContact O-N 3.01Å; K178-D202 WeakPolarHBondContact CE-OD1 3.49Å; K178-D202 IonicContact NZ-OD1 3.1Å; K178-D202 PolarHBondContact NZ-OD1 2.82Å; K178-D202 IonicContact NZ-OD2 3.92Å; K178-D202 PolarHBondContact NZ-OD2 3.06Å; K178-E271 IonicContact NZ-OE1 2.93Å
179	A	98.3	Very high	97.4	Very high	1 Å²	1	27 Å²	27	1%	0.008	16%	0.161	C	C	.	.	H	α-helix	trans	-61.4	-42.6	-178.8	0	0	0	0	0	113.3	N177 L181 M182 N183 Y261 S262 E271	N177-A179 PolarHBondContact O-N 3.36Å; A179-L181 VanDerWaalsContact C-N 3.31Å; A179-L181 PolarHBondContact O-N 3.23Å; A179-M182 WeakPolarHBondContact O-CB 3.21Å; A179-M182 PolarHBondContact O-N 2.88Å; A179-N183 PolarHBondContact O-N 3.48Å; A179-N183 VanDerWaalsContact O-N 3.09Å; A179-Y261 HydrophobicContact CB-CD1 4.22Å; A179-Y261 HydrophobicContact CB-CG 4.14Å; A179-S262 VanDerWaalsContact CB-O 3.32Å; A179-S262 WeakPolarHBondContact CB-O 3.47Å; A179-E271 HydrophobicContact CB-CB 3.64Å; A179-E271 HydrophobicContact CB-CG 3.83Å
180	R	98.4	Very high	97.3	Very high	22 Å²	22	28.9 Å²	28.9	8%	0.083	17%	0.167	C	C	.	.	H	α-helix	trans	-61.9	-40.2	174.3	-171	170.8	-175.6	177.7	5	111.8	N177 K178 M182 N183 V184 N263 V331 K332 L351 E352	N177-R180 HydrophobicContact CB-CB 4.1Å; N177-R180 PolarHBondContact O-N 2.74Å; N177-R180 WeakPolarHBondContact OD1-CB 3.29Å; N177-R180 PolarHBondContact OD1-N 2.96Å; K178-R180 PolarHBondContact O-N 2.69Å; R180-M182 VanDerWaalsContact C-N 3.35Å; R180-N183 WeakPolarHBondContact O-CB 3.18Å; R180-N183 PolarHBondContact O-N 3.45Å; R180-V184 WeakPolarHBondContact O-CG2 3.41Å; R180-V184 PolarHBondContact O-N 2.89Å; R180-N263 HydrophobicContact CB-CB 4.25Å; R180-N263 HydrophobicContact CG-CB 3.97Å; R180-V331 HydrophobicContact CG-CG2 3.79Å; R180-K332 PolarHBondContact NH2-O 2.83Å; R180-L351 HydrophobicContact CG-CD2 3.86Å; R180-E352 VanDerWaalsContact CZ-O 3.23Å; R180-E352 PolarHBondContact NH1-O 2.75Å; R180-E352 PolarHBondContact NH2-O 3.24Å
181	L	98.7	Very high	97.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-68.9	-32.2	176.6	-62.8	157.8	0	0	0	112.3	V137 I168 Q170 L176 N177 K178 A179 V184 G185 I349 L351	V137-L181 HydrophobicContact CG1-CB 4.29Å; V137-L181 HydrophobicContact CG1-CD1 3.65Å; V137-L181 HydrophobicContact CG2-CB 3.52Å; V137-L181 HydrophobicContact CG2-CD1 4.42Å; I168-L181 HydrophobicContact CG2-CB 4.01Å; I168-L181 HydrophobicContact CG2-CD2 4Å; Q170-L181 HydrophobicContact CB-CD1 3.69Å; Q170-L181 HydrophobicContact CB-CD2 3.9Å; Q170-L181 HydrophobicContact CB-CG 4.38Å; Q170-L181 HydrophobicContact CG-CD1 4.5Å; Q170-L181 HydrophobicContact CG-CD2 4.44Å; L176-L181 HydrophobicContact CD1-CD1 3.62Å; L176-L181 HydrophobicContact CG-CD1 4.44Å; N177-L181 WeakPolarHBondContact O-CD1 3.32Å; N177-L181 VanDerWaalsContact O-CG 3.26Å; N177-L181 WeakPolarHBondContact O-CG 3.34Å; N177-L181 PolarHBondContact O-N 2.97Å; N177-L181 VanDerWaalsContact O-N 3.13Å; K178-L181 PolarHBondContact O-N 3.28Å; K178-L181 VanDerWaalsContact O-N 3.16Å; A179-L181 VanDerWaalsContact C-N 3.31Å; A179-L181 PolarHBondContact O-N 3.23Å; L181-V184 PolarHBondContact O-N 3.08Å; L181-G185 PolarHBondContact O-N 2.93Å; L181-I349 HydrophobicContact CD2-CB 4.07Å; L181-I349 HydrophobicContact CD2-CG2 4.16Å; L181-L351 HydrophobicContact CD2-CD1 4.29Å; L181-L351 HydrophobicContact CD2-CD2 4.01Å; L181-L351 HydrophobicContact CD2-CG 4.29Å; L181-L351 HydrophobicContact CG-CD1 4.41Å
182	M	98.7	Very high	97.1	Very high	4 Å²	4	28 Å²	28	2%	0.02	16%	0.162	C	C	.	.	H	α-helix	trans	-63.1	-42	171.8	-68.6	-53.2	-174.8	0	0	111.5	I135 V137 K178 A179 R180 G185 F186 F200 Y261	I135-M182 HydrophobicContact CB-SD 4.44Å; I135-M182 HydrophobicContact CG2-SD 3.69Å; V137-M182 HydrophobicContact CB-CE 3.88Å; V137-M182 HydrophobicContact CB-SD 4.39Å; V137-M182 HydrophobicContact CG2-CE 3.62Å; V137-M182 HydrophobicContact CG2-CG 4.06Å; V137-M182 HydrophobicContact CG2-SD 3.49Å; V137-M182 WeakPolarHBondContact CG2-SD 3.49Å; K178-M182 HydrophobicContact CG-CE 4.33Å; K178-M182 WeakPolarHBondContact O-CG 3.36Å; K178-M182 PolarHBondContact O-N 3.01Å; A179-M182 WeakPolarHBondContact O-CB 3.21Å; A179-M182 PolarHBondContact O-N 2.88Å; R180-M182 VanDerWaalsContact C-N 3.35Å; M182-G185 PolarHBondContact O-N 3.49Å; M182-F186 PolarHBondContact O-N 3.21Å; M182-F200 HydrophobicContact CB-CD1 3.73Å; M182-F200 HydrophobicContact CB-CE1 3.79Å; M182-F200 HydrophobicContact CE-CB 4.41Å; M182-F200 HydrophobicContact CG-CD1 3.87Å; M182-F200 HydrophobicContact CG-CE1 4.44Å; M182-F200 HydrophobicContact SD-CB 4.28Å; M182-F200 HydrophobicContact SD-CD1 3.57Å; M182-F200 VanDerWaalsContact SD-CD1 3.57Å; M182-F200 HydrophobicContact SD-CE1 4.4Å; M182-F200 HydrophobicContact SD-CG 4.37Å; M182-Y261 HydrophobicContact CB-CD2 3.73Å; M182-Y261 HydrophobicContact CB-CE2 3.87Å; M182-Y261 HydrophobicContact CG-CE2 4.3Å
183	N	98.8	Very high	97.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.4	-46.6	171.2	-77	-15	0	0	0	111.8	A179 R180 G185 F186 I187 F255 Y261 N263 L328 V331	A179-N183 PolarHBondContact O-N 3.48Å; A179-N183 VanDerWaalsContact O-N 3.09Å; R180-N183 WeakPolarHBondContact O-CB 3.18Å; R180-N183 PolarHBondContact O-N 3.45Å; N183-G185 VanDerWaalsContact C-N 3.34Å; N183-G185 PolarHBondContact O-N 3.23Å; N183-F186 PolarHBondContact O-N 3.49Å; N183-I187 WeakPolarHBondContact O-CG1 2.89Å; N183-I187 PolarHBondContact O-N 3.07Å; N183-I187 VanDerWaalsContact O-N 3.07Å; N183-F255 WeakPolarHBondContact OD1-CZ 3.36Å; N183-Y261 PolarHBondContact ND2-O 3.07Å; N183-Y261 PolarHBondContact OD1-N 2.87Å; N183-N263 PolarHBondContact ND2-OD1 3.43Å; N183-L328 HydrophobicContact CB-CD2 3.91Å; N183-V331 HydrophobicContact CB-CG2 4.44Å
184	V	98.6	Very high	97.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-59.5	-45.7	176.7	174.1	0	0	0	0	111.1	R180 L181 F186 I187 E188 V331 Y333 I349 L351	R180-V184 WeakPolarHBondContact O-CG2 3.41Å; R180-V184 PolarHBondContact O-N 2.89Å; L181-V184 PolarHBondContact O-N 3.08Å; V184-F186 VanDerWaalsContact C-N 3.29Å; V184-F186 PolarHBondContact O-N 2.78Å; V184-I187 PolarHBondContact O-N 2.84Å; V184-E188 HydrophobicContact CG1-CG 4.19Å; V184-E188 PolarHBondContact O-N 3.09Å; V184-V331 HydrophobicContact CG2-CG2 3.74Å; V184-Y333 HydrophobicContact CB-CD2 4.45Å; V184-Y333 HydrophobicContact CB-CG 4.45Å; V184-Y333 HydrophobicContact CG1-CD1 4.41Å; V184-Y333 HydrophobicContact CG1-CD2 3.54Å; V184-Y333 HydrophobicContact CG1-CE1 4.4Å; V184-Y333 HydrophobicContact CG1-CE2 3.52Å; V184-Y333 HydrophobicContact CG1-CG 4Å; V184-Y333 HydrophobicContact CG2-CD1 3.65Å; V184-Y333 HydrophobicContact CG2-CD2 4.04Å; V184-Y333 HydrophobicContact CG2-CE1 4.13Å; V184-Y333 HydrophobicContact CG2-CE2 4.49Å; V184-Y333 HydrophobicContact CG2-CG 3.59Å; V184-I349 HydrophobicContact CG1-CD1 3.69Å; V184-I349 HydrophobicContact CG1-CG1 3.77Å; V184-I349 HydrophobicContact CG1-CG2 4.02Å; V184-I349 HydrophobicContact CG2-CG2 4.3Å; V184-L351 HydrophobicContact CG2-CD2 4.45Å
185	G	98.7	Very high	97.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-58.3	-41.2	176.8	0	0	0	0	0	112.4	I135 L181 M182 N183 E188 A189	I135-G185 VanDerWaalsContact CD1-C 3.49Å; L181-G185 PolarHBondContact O-N 2.93Å; M182-G185 PolarHBondContact O-N 3.49Å; N183-G185 VanDerWaalsContact C-N 3.34Å; N183-G185 PolarHBondContact O-N 3.23Å; G185-E188 PolarHBondContact O-N 2.71Å; G185-A189 WeakPolarHBondContact O-CB 3.25Å; G185-A189 PolarHBondContact O-N 2.86Å
186	F	98.7	Very high	97.6	Very high	3 Å²	3	18.3 Å²	18.3	1%	0.013	8%	0.083	C	C	.	.	H	α-helix	trans	-63.9	-45	178.5	178	-96.1	0	0	0	111	I135 M182 N183 V184 R190 F195 V198 F255 I256 L328	I135-F186 HydrophobicContact CD1-CB 4Å; I135-F186 VanDerWaalsContact CD1-N 3.33Å; M182-F186 PolarHBondContact O-N 3.21Å; N183-F186 PolarHBondContact O-N 3.49Å; V184-F186 VanDerWaalsContact C-N 3.29Å; V184-F186 PolarHBondContact O-N 2.78Å; F186-R190 HydrophobicContact CE1-CG 4.22Å; F186-R190 HydrophobicContact CZ-CG 4.27Å; F186-R190 WeakPolarHBondContact O-CG 3.41Å; F186-R190 PolarHBondContact O-N 2.84Å; F186-F195 AromaticContact CD2-CE2 3.97Å; F186-F195 HydrophobicContact CD2-CE2 3.97Å; F186-F195 HydrophobicContact CD2-CZ 4.02Å; F186-F195 AromaticContact CE2-CE2 3.69Å; F186-F195 HydrophobicContact CE2-CE2 3.69Å; F186-F195 HydrophobicContact CE2-CZ 4.03Å; F186-V198 HydrophobicContact CD2-CB 4.26Å; F186-V198 HydrophobicContact CD2-CG1 4.02Å; F186-V198 HydrophobicContact CD2-CG2 4.28Å; F186-V198 HydrophobicContact CE2-CB 4.48Å; F186-V198 HydrophobicContact CE2-CG1 4.06Å; F186-F255 HydrophobicContact CB-CD1 4.31Å; F186-F255 HydrophobicContact CB-CE1 3.68Å; F186-F255 AromaticContact CD1-CD1 3.76Å; F186-F255 HydrophobicContact CD1-CD1 3.76Å; F186-F255 AromaticContact CD1-CE1 3.74Å; F186-F255 HydrophobicContact CD1-CE1 3.74Å; F186-F255 AromaticContact CD2-CD1 3.49Å; F186-F255 HydrophobicContact CD2-CD1 3.49Å; F186-F255 VanDerWaalsContact CD2-CD1 3.49Å; F186-F255 AromaticContact CD2-CE1 3.76Å; F186-F255 HydrophobicContact CD2-CE1 3.76Å; F186-F255 HydrophobicContact CD2-CG 4.44Å; F186-F255 AromaticContact CE1-CD1 3.82Å; F186-F255 HydrophobicContact CE1-CD1 3.82Å; F186-F255 HydrophobicContact CE1-CE1 4.26Å; F186-F255 HydrophobicContact CE2-CB 4.36Å; F186-F255 AromaticContact CE2-CD1 3.55Å; F186-F255 HydrophobicContact CE2-CD1 3.55Å; F186-F255 HydrophobicContact CE2-CE1 4.28Å; F186-F255 HydrophobicContact CE2-CG 4.32Å; F186-F255 AromaticContact CG-CD1 3.58Å; F186-F255 HydrophobicContact CG-CD1 3.58Å; F186-F255 AromaticContact CG-CE1 3.45Å; F186-F255 HydrophobicContact CG-CE1 3.45Å; F186-F255 VanDerWaalsContact CG-CE1 3.45Å; F186-F255 AromaticContact CZ-CD1 3.71Å; F186-F255 HydrophobicContact CZ-CD1 3.71Å; F186-I256 HydrophobicContact CE1-CD1 4.2Å; F186-I256 HydrophobicContact CE1-CG1 3.75Å; F186-I256 HydrophobicContact CZ-CD1 4Å; F186-I256 HydrophobicContact CZ-CG1 3.69Å; F186-L328 HydrophobicContact CD1-CD1 4.23Å; F186-L328 HydrophobicContact CD1-CD2 3.92Å; F186-L328 HydrophobicContact CE1-CD1 4.11Å
187	I	98.4	Very high	97.6	Very high	7 Å²	7	17.6 Å²	17.6	4%	0.036	8%	0.079	C	C	.	.	H	α-helix	trans	-64	-49.4	178.3	-65.5	166.7	0	0	0	110.6	N183 V184 A189 R190 K191 L328 V331 Y333	N183-I187 WeakPolarHBondContact O-CG1 2.89Å; N183-I187 PolarHBondContact O-N 3.07Å; N183-I187 VanDerWaalsContact O-N 3.07Å; V184-I187 PolarHBondContact O-N 2.84Å; I187-A189 VanDerWaalsContact C-N 3.34Å; I187-A189 PolarHBondContact O-N 3.12Å; I187-R190 PolarHBondContact O-N 3.48Å; I187-K191 WeakPolarHBondContact O-CG 3.26Å; I187-K191 PolarHBondContact O-N 2.76Å; I187-L328 HydrophobicContact CD1-CD2 4.17Å; I187-L328 HydrophobicContact CG1-CD2 4.1Å; I187-V331 HydrophobicContact CD1-CG1 3.37Å; I187-Y333 HydrophobicContact CD1-CE1 4.34Å; I187-Y333 VanDerWaalsContact CG2-OH 3.22Å; I187-Y333 WeakPolarHBondContact CG2-OH 3.24Å
188	E	98	Very high	97.6	Very high	5 Å²	5	17.6 Å²	17.6	2%	0.023	8%	0.079	C	C	.	.	H	α-helix	trans	-66.8	-33.9	-178.8	-70.4	-55.1	128.2	0	0	113	V184 G185 K191 R192 Y333 V335 F347	V184-E188 HydrophobicContact CG1-CG 4.19Å; V184-E188 PolarHBondContact O-N 3.09Å; G185-E188 PolarHBondContact O-N 2.71Å; E188-K191 PolarHBondContact O-N 3.02Å; E188-K191 IonicContact OE1-NZ 2.79Å; E188-K191 PolarHBondContact OE1-NZ 3.44Å; E188-R192 PolarHBondContact O-NH1 3.3Å; E188-R192 IonicContact OE2-CZ 3.44Å; E188-R192 IonicContact OE2-NH1 3.62Å; E188-R192 PolarHBondContact OE2-NH1 2.96Å; E188-R192 IonicContact OE2-NH2 3.55Å; E188-R192 PolarHBondContact OE2-NH2 2.87Å; E188-Y333 HydrophobicContact CG-CE2 4.15Å; E188-Y333 WeakPolarHBondContact OE1-CE2 3.32Å; E188-Y333 PolarHBondContact OE1-OH 2.94Å; E188-V335 HydrophobicContact CG-CG2 4.33Å; E188-F347 HydrophobicContact CB-CD1 4.34Å; E188-F347 HydrophobicContact CB-CE1 3.88Å; E188-F347 HydrophobicContact CB-CE2 4.34Å; E188-F347 HydrophobicContact CB-CZ 3.89Å; E188-F347 HydrophobicContact CG-CD1 4.14Å; E188-F347 HydrophobicContact CG-CE1 3.96Å; E188-F347 HydrophobicContact CG-CZ 4.48Å
189	A	97.9	Very high	97.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-64.5	-45.4	172.2	0	0	0	0	0	110.9	A133 F166 G185 I187 K191 R192 F193 F195	A133-A189 HydrophobicContact CB-CB 4.26Å; F166-A189 HydrophobicContact CD1-CB 4.1Å; F166-A189 HydrophobicContact CD2-CB 3.73Å; F166-A189 HydrophobicContact CE1-CB 3.93Å; F166-A189 HydrophobicContact CE2-CB 3.53Å; F166-A189 HydrophobicContact CG-CB 4.01Å; F166-A189 HydrophobicContact CZ-CB 3.63Å; G185-A189 WeakPolarHBondContact O-CB 3.25Å; G185-A189 PolarHBondContact O-N 2.86Å; I187-A189 VanDerWaalsContact C-N 3.34Å; I187-A189 PolarHBondContact O-N 3.12Å; A189-K191 PolarHBondContact O-N 2.9Å; A189-R192 PolarHBondContact O-N 3.22Å; A189-F193 PolarHBondContact O-N 3.23Å; A189-F195 HydrophobicContact CB-CE1 3.61Å; A189-F195 HydrophobicContact CB-CZ 3.96Å
190	R	96.6	Very high	97.7	Very high	68 Å²	68	16 Å²	16	26%	0.257	7%	0.072	S	C	.	.	H	α-helix	trans	-62.9	-24.5	-179.1	-78.9	-169.6	70.4	109.2	-7.6	113.7	K62 F186 I187 R192 F195 I256	K62-R190 WeakPolarHBondContact CE-O 3.43Å; F186-R190 HydrophobicContact CE1-CG 4.22Å; F186-R190 HydrophobicContact CZ-CG 4.27Å; F186-R190 WeakPolarHBondContact O-CG 3.41Å; F186-R190 PolarHBondContact O-N 2.84Å; I187-R190 PolarHBondContact O-N 3.48Å; R190-R192 VanDerWaalsContact C-N 3.29Å; R190-F195 HydrophobicContact CB-CE1 4.37Å; R190-F195 HydrophobicContact CB-CZ 4.46Å; R190-F195 HydrophobicContact CG-CE1 3.7Å; R190-F195 HydrophobicContact CG-CE2 4.3Å; R190-F195 HydrophobicContact CG-CZ 3.42Å; R190-F195 VanDerWaalsContact CG-CZ 3.42Å; R190-I256 VanDerWaalsContact NH1-CD1 3.35Å
191	K	95.7	Very high	97.7	Very high	63 Å²	63	15 Å²	15	27%	0.274	7%	0.068	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-21.1	173.9	-64	175.5	-175.2	169.9	0	112.9	T56 I187 E188 A189 Y333	T56-K191 HydrophobicContact CG2-CB 4.18Å; T56-K191 HydrophobicContact CG2-CD 3.8Å; T56-K191 HydrophobicContact CG2-CG 3.6Å; I187-K191 WeakPolarHBondContact O-CG 3.26Å; I187-K191 PolarHBondContact O-N 2.76Å; E188-K191 PolarHBondContact O-N 3.02Å; E188-K191 IonicContact OE1-NZ 2.79Å; E188-K191 PolarHBondContact OE1-NZ 3.44Å; A189-K191 PolarHBondContact O-N 2.9Å; K191-Y333 PolarHBondContact NZ-OH 2.97Å
192	R	95.7	Very high	97.7	Very high	40 Å²	40	16.2 Å²	16.2	15%	0.151	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-33.1	-167	-70	175.3	179.9	73.5	-0.2	114.4	Q63 F166 E188 A189 R190 F347	Q63-R192 WeakPolarHBondContact CB-O 3.3Å; Q63-R192 PolarHBondContact N-O 2.77Å; F166-R192 HydrophobicContact CE1-CB 4.5Å; E188-R192 PolarHBondContact O-NH1 3.3Å; E188-R192 IonicContact OE2-CZ 3.44Å; E188-R192 IonicContact OE2-NH1 3.62Å; E188-R192 PolarHBondContact OE2-NH1 2.96Å; E188-R192 IonicContact OE2-NH2 3.55Å; E188-R192 PolarHBondContact OE2-NH2 2.87Å; A189-R192 PolarHBondContact O-N 3.22Å; R190-R192 VanDerWaalsContact C-N 3.29Å; R192-F347 VanDerWaalsContact CZ-CZ 3.42Å
193	F	96.8	Very high	97.6	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.074	C	C	.	.	B	Isolated β-bridge	trans	-134.9	138.7	-174.7	179.4	-124.2	0	0	0	111.5	K62 Q63 I68 R164 F166 A189 F195	K62-F193 WeakPolarHBondContact CE-O 3.5Å; Q63-F193 HydrophobicContact CB-CD2 4.3Å; Q63-F193 HydrophobicContact CG-CD2 4.34Å; Q63-F193 CarbonylContact O-C 3.52Å; Q63-F193 WeakPolarHBondContact O-CA 3.43Å; Q63-F193 WeakPolarHBondContact O-CD2 3.31Å; I68-F193 HydrophobicContact CD1-CD2 4.24Å; I68-F193 HydrophobicContact CD1-CE2 3.57Å; I68-F193 HydrophobicContact CD1-CZ 4.29Å; R164-F193 HydrophobicContact CB-CB 4.43Å; R164-F193 HydrophobicContact CB-CD1 3.81Å; R164-F193 HydrophobicContact CB-CD2 4.5Å; R164-F193 HydrophobicContact CB-CE1 4.16Å; R164-F193 HydrophobicContact CB-CG 3.99Å; F166-F193 HydrophobicContact CE2-CB 4.47Å; F166-F193 HydrophobicContact CZ-CB 3.97Å; A189-F193 PolarHBondContact O-N 3.23Å; F193-F195 HydrophobicContact CD1-CB 3.98Å; F193-F195 AromaticContact CD1-CD1 3.99Å; F193-F195 HydrophobicContact CD1-CD1 3.99Å; F193-F195 HydrophobicContact CD1-CG 4.43Å; F193-F195 HydrophobicContact CE1-CB 3.92Å; F193-F195 WeakPolarHBondContact O-CD1 3.37Å
194	D	96.1	Very high	97.5	Very high	37 Å²	37	16.6 Å²	16.6	20%	0.198	8%	0.077	C	C	.	.			trans	-87	116.7	177.3	-162.6	43.6	0	0	0	111.3	K62 Q63 T64 S130 G131	K62-D194 HydrophobicContact CD-CB 4.17Å; K62-D194 VanDerWaalsContact CE-N 3.35Å; K62-D194 HydrophobicContact CG-CB 4.48Å; K62-D194 IonicContact NZ-OD1 3.74Å; K62-D194 PolarHBondContact NZ-OD1 2.81Å; Q63-D194 PolarHBondContact O-N 3Å; T64-D194 HydrophobicContact CG2-CB 4.05Å; S130-D194 CarbonylContact C-O 3.54Å; S130-D194 VanDerWaalsContact CA-O 3.25Å; S130-D194 WeakPolarHBondContact CA-O 3.43Å; S130-D194 PolarHBondContact OG-OD2 3.26Å; G131-D194 PolarHBondContact N-O 3.08Å
195	F	97	Very high	97.4	Very high	5 Å²	5	17 Å²	17	2%	0.022	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	140.2	-174.9	64.4	-92.5	0	0	0	112.1	G131 A133 F186 A189 R190 F193 C197 V198 S252	G131-F195 WeakPolarHBondContact O-CA 3.49Å; G131-F195 WeakPolarHBondContact O-CB 2.94Å; A133-F195 HydrophobicContact CB-CB 4.26Å; A133-F195 HydrophobicContact CB-CD1 3.59Å; A133-F195 HydrophobicContact CB-CD2 3.74Å; A133-F195 HydrophobicContact CB-CE1 3.7Å; A133-F195 HydrophobicContact CB-CE2 3.85Å; A133-F195 HydrophobicContact CB-CG 3.6Å; A133-F195 HydrophobicContact CB-CZ 3.82Å; F186-F195 AromaticContact CD2-CE2 3.97Å; F186-F195 HydrophobicContact CD2-CE2 3.97Å; F186-F195 HydrophobicContact CD2-CZ 4.02Å; F186-F195 AromaticContact CE2-CE2 3.69Å; F186-F195 HydrophobicContact CE2-CE2 3.69Å; F186-F195 HydrophobicContact CE2-CZ 4.03Å; A189-F195 HydrophobicContact CB-CE1 3.61Å; A189-F195 HydrophobicContact CB-CZ 3.96Å; R190-F195 HydrophobicContact CB-CE1 4.37Å; R190-F195 HydrophobicContact CB-CZ 4.46Å; R190-F195 HydrophobicContact CG-CE1 3.7Å; R190-F195 HydrophobicContact CG-CE2 4.3Å; R190-F195 HydrophobicContact CG-CZ 3.42Å; R190-F195 VanDerWaalsContact CG-CZ 3.42Å; F193-F195 HydrophobicContact CD1-CB 3.98Å; F193-F195 AromaticContact CD1-CD1 3.99Å; F193-F195 HydrophobicContact CD1-CD1 3.99Å; F193-F195 HydrophobicContact CD1-CG 4.43Å; F193-F195 HydrophobicContact CE1-CB 3.92Å; F193-F195 WeakPolarHBondContact O-CD1 3.37Å; F195-C197 VanDerWaalsContact CD2-O 3.22Å; F195-C197 WeakPolarHBondContact CD2-O 3.4Å; F195-V198 HydrophobicContact CD2-CB 4.41Å; F195-V198 HydrophobicContact CE2-CB 3.99Å; F195-S252 WeakPolarHBondContact CD2-OG 3.48Å; F195-S252 VanDerWaalsContact CE2-OG 3.22Å; F195-S252 WeakPolarHBondContact CE2-OG 3.49Å; F195-S252 PolarHBondContact O-OG 2.98Å
196	N	95.7	Very high	97.2	Very high	78 Å²	78	17.1 Å²	17.1	42%	0.417	8%	0.08	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-15.3	175.7	-77.2	45.7	0	0	0	112	S130 G131 M221 S251 S252	S130-N196 WeakPolarHBondContact CB-OD1 3.48Å; S130-N196 PolarHBondContact OG-OD1 2.89Å; S130-N196 VanDerWaalsContact OG-OD1 3.06Å; G131-N196 PolarHBondContact O-N 2.95Å; G131-N196 VanDerWaalsContact O-N 3.15Å; N196-M221 HydrophobicContact CB-CE 4.48Å; N196-S251 CarbonylContact O-C 3.49Å; N196-S251 VanDerWaalsContact O-CA 3.32Å; N196-S251 WeakPolarHBondContact O-CA 3.45Å; N196-S252 PolarHBondContact O-N 3.38Å; N196-S252 PolarHBondContact O-OG 3.25Å
197	C	97.2	Very high	97.1	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	148.8	176.4	-40.8	0	0	0	0	111.2	V132 A133 F195 C216 T220 M221 I250	V132-C197 WeakPolarHBondContact CA-O 3.28Å; A133-C197 PolarHBondContact N-O 3.42Å; F195-C197 VanDerWaalsContact CD2-O 3.22Å; F195-C197 WeakPolarHBondContact CD2-O 3.4Å; C197-C216 HydrophobicContact CB-CB 4.26Å; C197-C216 WeakPolarHBondContact CB-SG 3.41Å; C197-C216 PolarHBondContact N-SG 3.42Å; C197-C216 WeakPolarHBondContact SG-CA 3.43Å; C197-C216 WeakPolarHBondContact SG-CB 3.31Å; C197-C216 CovalentContact SG-SG 2.02Å; C197-C216 PolarHBondContact SG-SG 2.87Å; C197-T220 HydrophobicContact CB-CG2 4.05Å; C197-M221 WeakPolarHBondContact SG-CE 3.45Å; C197-I250 WeakPolarHBondContact CA-O 3.41Å
198	V	98.4	Very high	97	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	138.6	174	59.3	0	0	0	0	109.3	A133 I135 F186 F195 F200 K249 I250	A133-V198 HydrophobicContact CB-CG2 4.44Å; A133-V198 CarbonylContact O-C 3.58Å; A133-V198 VanDerWaalsContact O-CA 3.27Å; A133-V198 WeakPolarHBondContact O-CA 3.32Å; I135-V198 HydrophobicContact CD1-CG2 3.37Å; I135-V198 HydrophobicContact CG1-CG2 3.91Å; F186-V198 HydrophobicContact CD2-CB 4.26Å; F186-V198 HydrophobicContact CD2-CG1 4.02Å; F186-V198 HydrophobicContact CD2-CG2 4.28Å; F186-V198 HydrophobicContact CE2-CB 4.48Å; F186-V198 HydrophobicContact CE2-CG1 4.06Å; F195-V198 HydrophobicContact CD2-CB 4.41Å; F195-V198 HydrophobicContact CE2-CB 3.99Å; V198-F200 HydrophobicContact CG1-CE2 3.72Å; V198-F200 HydrophobicContact CG1-CZ 3.88Å; V198-F200 HydrophobicContact CG2-CD1 4.4Å; V198-F200 HydrophobicContact CG2-CE1 3.95Å; V198-F200 HydrophobicContact CG2-CE2 4.13Å; V198-F200 HydrophobicContact CG2-CZ 3.79Å; V198-K249 WeakPolarHBondContact O-CA 3.49Å; V198-I250 HydrophobicContact CG1-CG2 3.51Å; V198-I250 PolarHBondContact N-O 2.87Å; V198-I250 PolarHBondContact O-N 2.95Å
199	I	98.7	Very high	96.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	119.9	170.4	-60	-177	0	0	0	107.7	V132 A133 I134 I135 H201 H214 L227 V247 L248 K249	V132-I199 HydrophobicContact CG1-CD1 4Å; V132-I199 HydrophobicContact CG1-CG1 3.93Å; A133-I199 PolarHBondContact O-N 2.97Å; I134-I199 HydrophobicContact CG1-CB 4.37Å; I135-I199 PolarHBondContact N-O 3.44Å; I199-H201 HydrophobicContact CG2-CB 4.24Å; I199-H214 HydrophobicContact CD1-CB 3.65Å; I199-H214 VanDerWaalsContact CD1-O 3.29Å; I199-H214 WeakPolarHBondContact CD1-O 3.14Å; I199-L227 HydrophobicContact CD1-CD1 4.26Å; I199-L227 HydrophobicContact CG2-CD1 4.42Å; I199-V247 HydrophobicContact CG2-CG1 3.73Å; I199-L248 CarbonylContact C-O 3.5Å; I199-L248 VanDerWaalsContact CA-O 3.31Å; I199-L248 WeakPolarHBondContact CA-O 3.11Å; I199-K249 HydrophobicContact CD1-CB 4.47Å; I199-K249 HydrophobicContact CD1-CD 4.29Å; I199-K249 HydrophobicContact CD1-CG 4.38Å; I199-K249 HydrophobicContact CG1-CB 3.97Å; I199-K249 HydrophobicContact CG1-CD 4.37Å; I199-K249 HydrophobicContact CG1-CG 3.93Å
200	F	98.8	Very high	96.7	Very high	4 Å²	4	17.9 Å²	17.9	2%	0.018	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	120.1	167.5	-59.8	-71.4	0	0	0	107.7	I135 M182 V198 V247 L248 I250 F255 Y261	I135-F200 HydrophobicContact CB-CD1 4.05Å; I135-F200 HydrophobicContact CB-CE1 4.33Å; I135-F200 HydrophobicContact CD1-CD1 4.26Å; I135-F200 HydrophobicContact CD1-CE1 3.69Å; I135-F200 HydrophobicContact CD1-CZ 4.45Å; I135-F200 HydrophobicContact CG2-CD1 4.32Å; M182-F200 HydrophobicContact CB-CD1 3.73Å; M182-F200 HydrophobicContact CB-CE1 3.79Å; M182-F200 HydrophobicContact CE-CB 4.41Å; M182-F200 HydrophobicContact CG-CD1 3.87Å; M182-F200 HydrophobicContact CG-CE1 4.44Å; M182-F200 HydrophobicContact SD-CB 4.28Å; M182-F200 HydrophobicContact SD-CD1 3.57Å; M182-F200 VanDerWaalsContact SD-CD1 3.57Å; M182-F200 HydrophobicContact SD-CE1 4.4Å; M182-F200 HydrophobicContact SD-CG 4.37Å; V198-F200 HydrophobicContact CG1-CE2 3.72Å; V198-F200 HydrophobicContact CG1-CZ 3.88Å; V198-F200 HydrophobicContact CG2-CD1 4.4Å; V198-F200 HydrophobicContact CG2-CE1 3.95Å; V198-F200 HydrophobicContact CG2-CE2 4.13Å; V198-F200 HydrophobicContact CG2-CZ 3.79Å; F200-V247 VanDerWaalsContact O-CA 3.29Å; F200-V247 WeakPolarHBondContact O-CA 3.46Å; F200-L248 PolarHBondContact N-O 2.68Å; F200-L248 PolarHBondContact O-N 2.88Å; F200-I250 HydrophobicContact CD2-CG2 4.16Å; F200-I250 HydrophobicContact CE2-CG2 3.72Å; F200-F255 HydrophobicContact CE1-CE2 4.49Å; F200-F255 HydrophobicContact CE1-CZ 4.18Å; F200-F255 AromaticContact CE2-CD2 3.64Å; F200-F255 HydrophobicContact CE2-CD2 3.64Å; F200-F255 HydrophobicContact CE2-CE1 4.47Å; F200-F255 AromaticContact CE2-CE2 3.45Å; F200-F255 HydrophobicContact CE2-CE2 3.45Å; F200-F255 VanDerWaalsContact CE2-CE2 3.45Å; F200-F255 HydrophobicContact CE2-CG 4.25Å; F200-F255 AromaticContact CE2-CZ 3.91Å; F200-F255 HydrophobicContact CE2-CZ 3.91Å; F200-F255 HydrophobicContact CZ-CD1 4.18Å; F200-F255 AromaticContact CZ-CD2 3.88Å; F200-F255 HydrophobicContact CZ-CD2 3.88Å; F200-F255 AromaticContact CZ-CE1 3.73Å; F200-F255 HydrophobicContact CZ-CE1 3.73Å; F200-F255 AromaticContact CZ-CE2 3.41Å; F200-F255 HydrophobicContact CZ-CE2 3.41Å; F200-F255 VanDerWaalsContact CZ-CE2 3.41Å; F200-F255 HydrophobicContact CZ-CG 4.23Å; F200-F255 AromaticContact CZ-CZ 3.33Å; F200-F255 HydrophobicContact CZ-CZ 3.33Å; F200-Y261 HydrophobicContact CD1-CE2 4.04Å; F200-Y261 AromaticContact CD2-CE2 3.66Å; F200-Y261 HydrophobicContact CD2-CE2 3.66Å; F200-Y261 HydrophobicContact CE1-CE2 4.11Å; F200-Y261 AromaticContact CE2-CE2 3.75Å; F200-Y261 HydrophobicContact CE2-CE2 3.75Å; F200-Y261 AromaticContact CG-CE2 3.8Å; F200-Y261 HydrophobicContact CG-CE2 3.8Å; F200-Y261 AromaticContact CZ-CE2 3.98Å; F200-Y261 HydrophobicContact CZ-CE2 3.98Å
201	H	98.6	Very high	96.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	128.2	-168.9	-166.8	-53.8	0	0	0	110.8	I134 I135 I136 I199 L205 V247 Y296	I134-H201 HydrophobicContact CG2-CB 4.36Å; I135-H201 PolarHBondContact O-N 2.55Å; I136-H201 WeakPolarHBondContact CA-O 3.41Å; I136-H201 HydrophobicContact CG1-CB 4.01Å; I199-H201 HydrophobicContact CG2-CB 4.24Å; H201-L205 PolarHBondContact CE1-O 3.35Å; H201-L205 VanDerWaalsContact CE1-O 3.26Å; H201-V247 HydrophobicContact CB-CG1 4.19Å; H201-V247 VanDerWaalsContact CD2-CG1 3.43Å; H201-V247 WeakPolarHBondContact CD2-CG1 3.16Å; H201-Y296 AromaticContact NE2-CE1 3.61Å
202	D	97.8	Very high	96.7	Very high	26 Å²	26	17.4 Å²	17.4	14%	0.139	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	134.5	174.7	-75.7	5.5	0	0	0	111.3	K178 D204 L205 G246	K178-D202 WeakPolarHBondContact CE-OD1 3.49Å; K178-D202 IonicContact NZ-OD1 3.1Å; K178-D202 PolarHBondContact NZ-OD1 2.82Å; K178-D202 IonicContact NZ-OD2 3.92Å; K178-D202 PolarHBondContact NZ-OD2 3.06Å; D202-D204 WeakPolarHBondContact CB-OD1 3.48Å; D202-D204 PolarHBondContact O-N 2.89Å; D202-D204 VanDerWaalsContact O-N 3.1Å; D202-L205 HydrophobicContact CB-CD1 3.96Å; D202-L205 HydrophobicContact CB-CG 3.95Å; D202-L205 PolarHBondContact O-N 2.8Å; D202-G246 VanDerWaalsContact CG-O 3.23Å; D202-G246 PolarHBondContact N-O 2.92Å
203	A	97.1	Very high	96.7	Very high	1 Å²	1	17 Å²	17	1%	0.008	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-12.2	-175.1	0	0	0	0	0	114.5	I136 C138 Q144 L145 T148	I136-A203 HydrophobicContact CG2-CB 3.61Å; C138-A203 HydrophobicContact CB-CB 4.26Å; Q144-A203 CarbonylContact C-O 3.48Å; L145-A203 WeakPolarHBondContact CA-O 3.11Å; L145-A203 HydrophobicContact CB-CB 4.32Å; L145-A203 HydrophobicContact CD1-CB 4.31Å; L145-A203 PolarHBondContact N-O 2.98Å; T148-A203 PolarHBondContact OG1-O 3.19Å
204	D	95.9	Very high	96.7	Very high	11 Å²	11	17 Å²	17	6%	0.059	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	7	-174.1	59.6	2	0	0	0	113.8	R141 Q144 D202 Q299 H301	R141-D204 IonicContact CZ-OD2 3.67Å; R141-D204 VanDerWaalsContact CZ-OD2 3.24Å; R141-D204 IonicContact NH1-OD1 3.68Å; R141-D204 IonicContact NH1-OD2 3.42Å; R141-D204 PolarHBondContact NH1-OD2 2.93Å; R141-D204 IonicContact NH2-OD2 2.58Å; Q144-D204 HydrophobicContact CB-CB 4.07Å; Q144-D204 HydrophobicContact CG-CB 4.21Å; D202-D204 WeakPolarHBondContact CB-OD1 3.48Å; D202-D204 PolarHBondContact O-N 2.89Å; D202-D204 VanDerWaalsContact O-N 3.1Å; D204-Q299 HydrophobicContact CB-CB 4.39Å; D204-Q299 WeakPolarHBondContact O-CG 3.43Å; D204-Q299 PolarHBondContact O-N 3.47Å; D204-H301 IonicContact OD2-CD2 2.69Å; D204-H301 PolarHBondContact OD2-CD2 3.34Å; D204-H301 IonicContact OD2-CE1 3.98Å; D204-H301 IonicContact OD2-NE2 3.31Å; D204-H301 PolarHBondContact OD2-NE2 3.46Å
205	L	97.1	Very high	96.6	Very high	8 Å²	8	15.7 Å²	15.7	4%	0.042	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.9	175.2	-65	-175.1	0	0	0	109.5	T148 H201 D202 V231 V247 Y296 L297 A298	T148-L205 WeakPolarHBondContact CG2-O 3.42Å; T148-L205 PolarHBondContact OG1-O 2.86Å; H201-L205 PolarHBondContact CE1-O 3.35Å; H201-L205 VanDerWaalsContact CE1-O 3.26Å; D202-L205 HydrophobicContact CB-CD1 3.96Å; D202-L205 HydrophobicContact CB-CG 3.95Å; D202-L205 PolarHBondContact O-N 2.8Å; L205-V231 HydrophobicContact CD2-CG1 3.74Å; L205-V231 HydrophobicContact CD2-CG2 4.4Å; L205-V247 HydrophobicContact CB-CG2 4.34Å; L205-V247 HydrophobicContact CD1-CG2 3.9Å; L205-Y296 HydrophobicContact CB-CD1 3.71Å; L205-Y296 HydrophobicContact CB-CE1 4.48Å; L205-Y296 HydrophobicContact CB-CG 4.29Å; L205-L297 WeakPolarHBondContact CA-O 3.35Å; L205-A298 HydrophobicContact CD2-CB 3.94Å
206	I	95.7	Very high	96.4	Very high	3 Å²	3	18 Å²	18	2%	0.015	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	123.3	174.8	-67.7	168.8	0	0	0	108.2	F91 F95 N147 Y296 L297 Q299	F91-I206 HydrophobicContact CE2-CD1 4.23Å; F95-I206 HydrophobicContact CE1-CD1 3.7Å; F95-I206 HydrophobicContact CZ-CD1 4.22Å; N147-I206 HydrophobicContact CB-CD1 4.05Å; I206-Y296 VanDerWaalsContact C-CD1 3.45Å; I206-Y296 CarbonylContact O-C 3.46Å; I206-Y296 WeakPolarHBondContact O-CA 3.5Å; I206-Y296 WeakPolarHBondContact O-CD1 3.34Å; I206-L297 HydrophobicContact CB-CB 4.28Å; I206-L297 HydrophobicContact CD1-CD2 4.47Å; I206-L297 PolarHBondContact N-O 3.45Å; I206-L297 PolarHBondContact O-N 3.16Å; I206-Q299 HydrophobicContact CD1-CG 3.69Å; I206-Q299 HydrophobicContact CG1-CG 4.1Å
207	P	96.1	Very high	96	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.006	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	138.7	173.7	26.8	-32.7	0	0	0	109.9	M89 S151 L152 V155 I212 Y296	M89-P207 HydrophobicContact CE-CB 4.16Å; M89-P207 HydrophobicContact CE-CG 4.24Å; M89-P207 WeakPolarHBondContact CE-O 3.32Å; S151-P207 PolarHBondContact OG-O 2.97Å; L152-P207 HydrophobicContact CB-CG 4.4Å; L152-P207 HydrophobicContact CD1-CG 4.29Å; V155-P207 HydrophobicContact CG2-CG 4.21Å; P207-I212 HydrophobicContact CB-CD1 3.92Å; P207-Y296 HydrophobicContact CB-CD1 4.23Å; P207-Y296 HydrophobicContact CB-CE1 3.75Å; P207-Y296 HydrophobicContact CG-CE1 4.41Å
208	L	95	Very high	95.5	Very high	25 Å²	25	24.4 Å²	24.4	13%	0.131	12%	0.123	C	C	.	.	S	Bend	trans	-107.1	-1.8	179.2	-61.6	179.5	0	0	0	113.4	M89 F91 Y236 R295 L297	M89-L208 PolarHBondContact N-O 3.4Å; F91-L208 HydrophobicContact CB-CD2 4.16Å; F91-L208 HydrophobicContact CD2-CD2 4.47Å; F91-L208 HydrophobicContact CG-CD2 4.27Å; L208-Y236 HydrophobicContact CD1-CE1 3.83Å; L208-Y236 WeakPolarHBondContact CD1-OH 3.21Å; L208-R295 HydrophobicContact CB-CB 4.27Å; L208-R295 WeakPolarHBondContact CB-O 3.44Å; L208-R295 HydrophobicContact CD1-CB 4.32Å; L208-R295 PolarHBondContact N-O 3.02Å; L208-L297 HydrophobicContact CD1-CB 4.14Å; L208-L297 HydrophobicContact CD2-CB 3.89Å; L208-L297 HydrophobicContact CG-CB 4.19Å
209	D	95.1	Very high	94.9	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.011	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-144.1	128.4	-178.3	-157.8	-57.4	0	0	0	109.4	G87 K88 R211 I212 I293	G87-D209 VanDerWaalsContact C-OD1 3.26Å; G87-D209 WeakPolarHBondContact O-CA 3.37Å; K88-D209 VanDerWaalsContact CG-OD2 3.26Å; K88-D209 WeakPolarHBondContact CG-OD2 3.43Å; D209-R211 PolarHBondContact O-N 2.99Å; D209-R211 VanDerWaalsContact OD1-CB 3.26Å; D209-R211 WeakPolarHBondContact OD1-CB 3.41Å; D209-R211 WeakPolarHBondContact OD1-CG 3.4Å; D209-R211 IonicContact OD1-CZ 3.91Å; D209-R211 PolarHBondContact OD1-N 3.36Å; D209-R211 IonicContact OD1-NE 2.55Å; D209-R211 PolarHBondContact OD1-NE 3.32Å; D209-R211 IonicContact OD1-NH2 2.96Å; D209-R211 IonicContact OD2-CZ 3.72Å; D209-R211 IonicContact OD2-NE 2.77Å; D209-R211 PolarHBondContact OD2-NE 3.15Å; D209-R211 IonicContact OD2-NH2 3.88Å; D209-R211 PolarHBondContact OD2-NH2 3.49Å; D209-I212 HydrophobicContact CB-CD1 4.42Å; D209-I212 HydrophobicContact CB-CG1 4.34Å; D209-I212 VanDerWaalsContact O-CD1 3.26Å; D209-I212 WeakPolarHBondContact O-CD1 3.43Å; D209-I212 VanDerWaalsContact O-CG1 3.23Å; D209-I212 WeakPolarHBondContact O-CG1 3.43Å; D209-I212 PolarHBondContact O-N 2.95Å; D209-I293 WeakPolarHBondContact CB-O 3.11Å
210	D	94.6	Very high	94.4	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.021	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	1.3	-178.6	73.4	1.6	0	0	0	113.7	P85 M86 G87 M89 V155 R158 Q159 I212	P85-D210 WeakPolarHBondContact CA-OD2 3.48Å; M86-D210 PolarHBondContact N-OD1 2.84Å; M86-D210 PolarHBondContact N-OD2 3.43Å; G87-D210 VanDerWaalsContact CA-OD1 3.3Å; G87-D210 WeakPolarHBondContact CA-OD1 3.31Å; G87-D210 PolarHBondContact N-OD1 2.96Å; G87-D210 PolarHBondContact O-N 3.08Å; M89-D210 HydrophobicContact CG-CB 4.31Å; M89-D210 HydrophobicContact SD-CB 4.17Å; V155-D210 HydrophobicContact CB-CB 4.44Å; V155-D210 HydrophobicContact CG1-CB 4.22Å; V155-D210 HydrophobicContact CG2-CB 3.91Å; R158-D210 WeakPolarHBondContact CD-OD2 3.47Å; R158-D210 IonicContact CZ-OD2 3.41Å; R158-D210 IonicContact NE-OD2 2.65Å; R158-D210 PolarHBondContact NE-OD2 2.98Å; R158-D210 IonicContact NH2-OD2 3.43Å; Q159-D210 PolarHBondContact NE2-O 3.32Å; D210-I212 VanDerWaalsContact C-N 3.28Å
211	R	95.9	Very high	93.9	Very high	121 Å²	121	31.2 Å²	31.2	46%	0.457	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-3.1	170.2	-60.4	169.8	-65.2	170.3	2.1	112.9	D209 P213 I293	D209-R211 PolarHBondContact O-N 2.99Å; D209-R211 VanDerWaalsContact OD1-CB 3.26Å; D209-R211 WeakPolarHBondContact OD1-CB 3.41Å; D209-R211 WeakPolarHBondContact OD1-CG 3.4Å; D209-R211 IonicContact OD1-CZ 3.91Å; D209-R211 PolarHBondContact OD1-N 3.36Å; D209-R211 IonicContact OD1-NE 2.55Å; D209-R211 PolarHBondContact OD1-NE 3.32Å; D209-R211 IonicContact OD1-NH2 2.96Å; D209-R211 IonicContact OD2-CZ 3.72Å; D209-R211 IonicContact OD2-NE 2.77Å; D209-R211 PolarHBondContact OD2-NE 3.15Å; D209-R211 IonicContact OD2-NH2 3.88Å; D209-R211 PolarHBondContact OD2-NH2 3.49Å; R211-P213 WeakPolarHBondContact O-CD 3.43Å; R211-I293 HydrophobicContact CB-CD1 4.43Å; R211-I293 HydrophobicContact CB-CG2 3.86Å
212	I	97.2	Very high	93.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-65.1	114.8	174.2	-63	167.6	0	0	0	108.6	Q159 P207 D209 D210 H214 L227 I289 I293 Y296	Q159-I212 PolarHBondContact NE2-O 2.98Å; P207-I212 HydrophobicContact CB-CD1 3.92Å; D209-I212 HydrophobicContact CB-CD1 4.42Å; D209-I212 HydrophobicContact CB-CG1 4.34Å; D209-I212 VanDerWaalsContact O-CD1 3.26Å; D209-I212 WeakPolarHBondContact O-CD1 3.43Å; D209-I212 VanDerWaalsContact O-CG1 3.23Å; D209-I212 WeakPolarHBondContact O-CG1 3.43Å; D209-I212 PolarHBondContact O-N 2.95Å; D210-I212 VanDerWaalsContact C-N 3.28Å; I212-H214 VanDerWaalsContact CG2-CE1 3.48Å; I212-H214 WeakPolarHBondContact CG2-CE1 3.49Å; I212-H214 PolarHBondContact O-N 3.02Å; I212-H214 VanDerWaalsContact O-N 3.08Å; I212-H214 PolarHBondContact O-ND1 3.28Å; I212-L227 HydrophobicContact CG2-CB 3.91Å; I212-L227 HydrophobicContact CG2-CD1 4.18Å; I212-L227 HydrophobicContact CG2-CD2 3.95Å; I212-L227 HydrophobicContact CG2-CG 4.23Å; I212-I289 HydrophobicContact CB-CD1 4.45Å; I212-I289 HydrophobicContact CG1-CD1 4.27Å; I212-I289 HydrophobicContact CG2-CD1 3.96Å; I212-I293 HydrophobicContact CG1-CG2 3.87Å; I212-I293 VanDerWaalsContact CG1-O 3.29Å; I212-I293 WeakPolarHBondContact CG1-O 3.26Å; I212-Y296 HydrophobicContact CD1-CD2 4.29Å; I212-Y296 HydrophobicContact CD1-CE2 3.66Å; I212-Y296 HydrophobicContact CG2-CE2 4.44Å
213	P	96.1	Very high	93.4	Very high	31 Å²	31	37.6 Å²	37.6	20%	0.201	19%	0.186	C	C	.	.			trans	-78.4	99.7	-165.9	31.1	-35.8	0	0	0	112.1	R211 L227 K249 I289	R211-P213 WeakPolarHBondContact O-CD 3.43Å; P213-L227 HydrophobicContact CG-CD2 4.17Å; P213-K249 WeakPolarHBondContact O-CE 3.4Å; P213-K249 PolarHBondContact O-NZ 3.09Å; P213-I289 HydrophobicContact CG-CG2 4.33Å
214	H	96.9	Very high	93.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.186	C	C	.	.			trans	-89.2	-1.9	178.8	-66.3	78.9	0	0	0	113.2	L152 L156 L161 I199 I212 Y296	L152-H214 WeakPolarHBondContact CD1-NE2 3.31Å; L156-H214 HydrophobicContact CD2-CB 3.5Å; L156-H214 VanDerWaalsContact CD2-CB 3.5Å; L161-H214 VanDerWaalsContact CD1-C 3.48Å; L161-H214 HydrophobicContact CD1-CB 3.66Å; I199-H214 HydrophobicContact CD1-CB 3.65Å; I199-H214 VanDerWaalsContact CD1-O 3.29Å; I199-H214 WeakPolarHBondContact CD1-O 3.14Å; I212-H214 VanDerWaalsContact CG2-CE1 3.48Å; I212-H214 WeakPolarHBondContact CG2-CE1 3.49Å; I212-H214 PolarHBondContact O-N 3.02Å; I212-H214 VanDerWaalsContact O-N 3.08Å; I212-H214 PolarHBondContact O-ND1 3.28Å; H214-Y296 PolarHBondContact NE2-OH 3.38Å
215	G	94.3	Very high	93.5	Very high	10 Å²	10	37 Å²	37	10%	0.103	18%	0.183	C	C	.	.	S	Bend	trans	-82.1	166.4	-179.9	0	0	0	0	0	115	L161 D217 K249	L161-G215 VanDerWaalsContact CD2-CA 3.44Å; G215-D217 VanDerWaalsContact C-N 3.28Å; G215-D217 PolarHBondContact O-N 3.14Å; G215-D217 VanDerWaalsContact O-N 3.07Å; G215-K249 WeakPolarHBondContact O-CD 3.44Å; G215-K249 PolarHBondContact O-NZ 3.33Å
216	C	91.6	Very high	93.5	Very high	54 Å²	54	36.6 Å²	36.6	37%	0.365	18%	0.181	S	C	.	.			trans	-76.5	75	164.8	-77.3	0	0	0	0	111.2	C197	C197-C216 HydrophobicContact CB-CB 4.26Å; C197-C216 WeakPolarHBondContact CB-SG 3.41Å; C197-C216 PolarHBondContact N-SG 3.42Å; C197-C216 WeakPolarHBondContact SG-CA 3.43Å; C197-C216 WeakPolarHBondContact SG-CB 3.31Å; C197-C216 CovalentContact SG-SG 2.02Å; C197-C216 PolarHBondContact SG-SG 2.87Å
217	D	87.1	Confident	93.6	Very high	43 Å²	43	36.5 Å²	36.5	23%	0.23	18%	0.18	C	C	.	.			trans	-76.6	162.1	170.8	45.1	36.7	0	0	0	111.5	G215 E219 T220 M221 K249	G215-D217 VanDerWaalsContact C-N 3.28Å; G215-D217 PolarHBondContact O-N 3.14Å; G215-D217 VanDerWaalsContact O-N 3.07Å; D217-E219 HydrophobicContact CB-CB 4.4Å; D217-E219 PolarHBondContact O-N 2.58Å; D217-E219 WeakPolarHBondContact OD1-CB 3.4Å; D217-T220 PolarHBondContact O-N 3.05Å; D217-T220 WeakPolarHBondContact OD1-CB 3.42Å; D217-T220 PolarHBondContact OD1-N 3.42Å; D217-T220 PolarHBondContact OD1-OG1 3.37Å; D217-M221 PolarHBondContact O-N 3.22Å; D217-K249 VanDerWaalsContact CG-NZ 3.25Å; D217-K249 IonicContact OD1-NZ 2.72Å; D217-K249 PolarHBondContact OD1-NZ 2.81Å; D217-K249 VanDerWaalsContact OD1-NZ 3.14Å; D217-K249 IonicContact OD2-NZ 3.14Å; D217-K249 PolarHBondContact OD2-NZ 2.92Å
218	E	86.9	Confident	93.7	Very high	168 Å²	168	36.6 Å²	36.6	79%	0.785	18%	0.181	S	C	*	.	H	α-helix	trans	-52	-37	173.5	-64.9	179.3	171.5	0	0	110.9	T220 M221 E222	E218-T220 VanDerWaalsContact C-N 3.32Å; E218-T220 PolarHBondContact O-N 2.86Å; E218-M221 WeakPolarHBondContact O-CB 3.34Å; E218-M221 PolarHBondContact O-N 3.06Å; E218-E222 PolarHBondContact O-N 3.16Å
219	E	86.8	Confident	93.8	Very high	60 Å²	60	35.9 Å²	35.9	28%	0.28	18%	0.178	S	C	.	.	H	α-helix	trans	-55.5	-40.4	175.7	171.4	171.2	-124.4	0	0	113.7	D217 M221 E222 S223 V225 K287	D217-E219 HydrophobicContact CB-CB 4.4Å; D217-E219 PolarHBondContact O-N 2.58Å; D217-E219 WeakPolarHBondContact OD1-CB 3.4Å; E219-M221 VanDerWaalsContact C-N 3.3Å; E219-M221 PolarHBondContact O-N 2.9Å; E219-E222 PolarHBondContact O-N 2.84Å; E219-S223 PolarHBondContact O-N 3.09Å; E219-S223 PolarHBondContact O-OG 2.74Å; E219-V225 HydrophobicContact CG-CG2 3.83Å; E219-K287 VanDerWaalsContact CD-CE 3.44Å; E219-K287 VanDerWaalsContact CD-NZ 3.27Å; E219-K287 HydrophobicContact CG-CD 4.31Å; E219-K287 WeakPolarHBondContact OE1-CD 3.42Å; E219-K287 WeakPolarHBondContact OE1-CE 3.34Å; E219-K287 IonicContact OE1-NZ 2.68Å; E219-K287 PolarHBondContact OE1-NZ 3.27Å
220	T	87.8	Confident	93.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-71.6	-24.5	177	-55.7	0	0	0	0	112.5	C197 D217 E218 S223 K249 S251 Q254	C197-T220 HydrophobicContact CB-CG2 4.05Å; D217-T220 PolarHBondContact O-N 3.05Å; D217-T220 WeakPolarHBondContact OD1-CB 3.42Å; D217-T220 PolarHBondContact OD1-N 3.42Å; D217-T220 PolarHBondContact OD1-OG1 3.37Å; E218-T220 VanDerWaalsContact C-N 3.32Å; E218-T220 PolarHBondContact O-N 2.86Å; T220-S223 CarbonylContact C-O 3.51Å; T220-S223 WeakPolarHBondContact CA-O 3.46Å; T220-K249 HydrophobicContact CG2-CD 4.21Å; T220-K249 HydrophobicContact CG2-CG 3.82Å; T220-K249 WeakPolarHBondContact OG1-CD 3.38Å; T220-K249 WeakPolarHBondContact OG1-CE 3.4Å; T220-K249 PolarHBondContact OG1-NZ 3.2Å; T220-S251 WeakPolarHBondContact O-CB 3.3Å; T220-Q254 PolarHBondContact O-OE1 2.76Å
221	M	88.8	Confident	94	Very high	87 Å²	87	36.4 Å²	36.4	43%	0.429	18%	0.181	S	C	.	.	H	α-helix	trans	-75.3	-31	175.2	-61.9	-60.6	103.6	0	0	111.2	N196 C197 D217 E218 E219 Q254	N196-M221 HydrophobicContact CB-CE 4.48Å; C197-M221 WeakPolarHBondContact SG-CE 3.45Å; D217-M221 PolarHBondContact O-N 3.22Å; E218-M221 WeakPolarHBondContact O-CB 3.34Å; E218-M221 PolarHBondContact O-N 3.06Å; E219-M221 VanDerWaalsContact C-N 3.3Å; E219-M221 PolarHBondContact O-N 2.9Å; M221-Q254 PolarHBondContact O-NE2 3.37Å
222	E	90.5	Very high	93.9	Very high	153 Å²	153	31.9 Å²	31.9	72%	0.715	17%	0.168	S	C	*	.	H	α-helix	trans	-88.7	-32.3	179.4	-64.7	-177.3	171.1	0	0	113.3	E218 E219 Q254	E218-E222 PolarHBondContact O-N 3.16Å; E219-E222 PolarHBondContact O-N 2.84Å; E222-Q254 PolarHBondContact O-NE2 2.98Å
223	S	94.7	Very high	93.8	Very high	7 Å²	7	35.3 Å²	35.3	5%	0.049	19%	0.192	C	C	.	.	S	Bend	trans	-149.6	155.5	-169.9	64.1	0	0	0	0	113.3	E219 T220 V285 K287	E219-S223 PolarHBondContact O-N 3.09Å; E219-S223 PolarHBondContact O-OG 2.74Å; T220-S223 CarbonylContact C-O 3.51Å; T220-S223 WeakPolarHBondContact CA-O 3.46Å; S223-V285 WeakPolarHBondContact CA-O 3.25Å; S223-V285 WeakPolarHBondContact CB-O 3.37Å; S223-K287 WeakPolarHBondContact OG-CE 3.48Å
224	V	97.4	Very high	93.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	136.8	168.8	179.8	0	0	0	0	109.6	L248 I250 L279 I284 V285 Y286 K287	V224-L248 HydrophobicContact CG1-CD1 3.41Å; V224-L248 VanDerWaalsContact CG1-CD1 3.41Å; V224-L248 HydrophobicContact CG1-CD2 3.95Å; V224-L248 HydrophobicContact CG1-CG 3.74Å; V224-I250 HydrophobicContact CG1-CB 4.23Å; V224-I250 HydrophobicContact CG2-CB 4.22Å; V224-I250 HydrophobicContact CG2-CD1 3.57Å; V224-I250 HydrophobicContact CG2-CG1 3.72Å; V224-L279 HydrophobicContact CB-CD1 4.31Å; V224-L279 HydrophobicContact CG1-CD1 4.24Å; V224-L279 HydrophobicContact CG2-CD1 4Å; V224-L279 HydrophobicContact CG2-CD2 3.58Å; V224-L279 HydrophobicContact CG2-CG 4.46Å; V224-I284 HydrophobicContact CG2-CG2 3.81Å; V224-V285 PolarHBondContact N-O 2.66Å; V224-Y286 CarbonylContact O-C 3.51Å; V224-Y286 WeakPolarHBondContact O-CA 2.73Å; V224-K287 PolarHBondContact O-N 2.88Å
225	V	97.6	Very high	93.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	112.3	-175	-171.9	0	0	0	0	110.2	E219 L227 K249 K287 I289	E219-V225 HydrophobicContact CG-CG2 3.83Å; V225-L227 HydrophobicContact CG1-CD2 3.82Å; V225-K249 HydrophobicContact CB-CB 4.32Å; V225-K249 PolarHBondContact N-O 3.32Å; V225-K249 PolarHBondContact O-N 3.47Å; V225-K287 HydrophobicContact CG1-CG 4.5Å; V225-K287 HydrophobicContact CG2-CG 4.43Å; V225-I289 HydrophobicContact CG1-CG2 3.36Å
226	H	98	Very high	93.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	117.2	172.6	175.1	-136.9	0	0	0	109.7	S228 V229 L243 I244 G245 V247 L248 K287 H288 I289	H226-S228 PolarHBondContact CE1-O 3.2Å; H226-S228 PolarHBondContact NE2-O 2.56Å; H226-S228 PolarHBondContact NE2-OG 3.42Å; H226-V229 WeakPolarHBondContact O-CG2 2.96Å; H226-L243 PolarHBondContact ND1-O 2.84Å; H226-I244 HydrophobicContact CB-CG2 4.41Å; H226-G245 PolarHBondContact NE2-O 3.1Å; H226-V247 PolarHBondContact CD2-O 2.91Å; H226-L248 HydrophobicContact CB-CD1 4Å; H226-K287 PolarHBondContact N-O 2.93Å; H226-H288 WeakPolarHBondContact CB-ND1 3.45Å; H226-H288 AromaticContact CG-ND1 3.55Å; H226-H288 AromaticContact ND1-CE1 3.42Å; H226-H288 PolarHBondContact ND1-CE1 2.86Å; H226-H288 AromaticContact ND1-ND1 2.9Å; H226-H288 PolarHBondContact ND1-ND1 2.85Å; H226-I289 PolarHBondContact O-N 3.13Å
227	L	98.1	Very high	93.9	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.255	C	S	.	.			trans	-91	-36.1	-172.6	-59.5	-179.4	0	0	0	112	I199 I212 P213 V225 V229 V247 K249 I289 G294 Y296	I199-L227 HydrophobicContact CD1-CD1 4.26Å; I199-L227 HydrophobicContact CG2-CD1 4.42Å; I212-L227 HydrophobicContact CG2-CB 3.91Å; I212-L227 HydrophobicContact CG2-CD1 4.18Å; I212-L227 HydrophobicContact CG2-CD2 3.95Å; I212-L227 HydrophobicContact CG2-CG 4.23Å; P213-L227 HydrophobicContact CG-CD2 4.17Å; V225-L227 HydrophobicContact CG1-CD2 3.82Å; L227-V229 VanDerWaalsContact C-N 3.32Å; L227-V229 PolarHBondContact O-N 3.23Å; L227-V229 VanDerWaalsContact O-N 3.09Å; L227-V247 HydrophobicContact CB-CB 4.15Å; L227-V247 HydrophobicContact CB-CG1 4.02Å; L227-V247 HydrophobicContact CD1-CG1 3.93Å; L227-V247 HydrophobicContact CG-CG1 4.45Å; L227-V247 PolarHBondContact N-O 3.04Å; L227-K249 HydrophobicContact CD1-CB 4.05Å; L227-K249 HydrophobicContact CG-CB 4.28Å; L227-I289 HydrophobicContact CB-CD1 4.5Å; L227-I289 HydrophobicContact CD2-CD1 4.15Å; L227-I289 HydrophobicContact CD2-CG2 4.13Å; L227-I289 WeakPolarHBondContact O-CD1 3.27Å; L227-G294 VanDerWaalsContact O-CA 3.25Å; L227-G294 WeakPolarHBondContact O-CA 3.44Å; L227-Y296 HydrophobicContact CB-CE2 4.37Å; L227-Y296 WeakPolarHBondContact O-CE2 3.26Å
228	S	97.9	Very high	94.3	Very high	4 Å²	4	51 Å²	51	3%	0.028	25%	0.253	C	S	.	.			trans	-87.8	55.7	-176.5	54.9	0	0	0	0	114.4	H226 G230 G245 G246 V247	H226-S228 PolarHBondContact CE1-O 3.2Å; H226-S228 PolarHBondContact NE2-O 2.56Å; H226-S228 PolarHBondContact NE2-OG 3.42Å; S228-G230 PolarHBondContact O-N 3.1Å; S228-G245 PolarHBondContact OG-O 2.77Å; S228-G245 VanDerWaalsContact OG-O 3.04Å; S228-G246 WeakPolarHBondContact OG-CA 2.99Å; S228-V247 PolarHBondContact N-O 3.28Å; S228-V247 PolarHBondContact OG-N 2.77Å
229	V	97.3	Very high	94.7	Very high	10 Å²	10	45.9 Å²	45.9	6%	0.061	23%	0.234	C	C	.	.	S	Bend	trans	-68.3	-35.1	-174.5	-178.1	0	0	0	0	112.9	H226 L227 H288 I289 K291 G294	H226-V229 WeakPolarHBondContact O-CG2 2.96Å; L227-V229 VanDerWaalsContact C-N 3.32Å; L227-V229 PolarHBondContact O-N 3.23Å; L227-V229 VanDerWaalsContact O-N 3.09Å; V229-H288 HydrophobicContact CG1-CB 4.21Å; V229-H288 HydrophobicContact CG2-CB 3.71Å; V229-I289 HydrophobicContact CG2-CG1 3.86Å; V229-I289 WeakPolarHBondContact CG2-O 3.31Å; V229-K291 HydrophobicContact CG1-CB 4.36Å; V229-K291 HydrophobicContact CG1-CG 4.49Å; V229-G294 PolarHBondContact N-O 3.47Å; V229-G294 VanDerWaalsContact N-O 3.16Å
230	G	96.5	Very high	95.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	103.8	177.8	0	0	0	0	0	111.2	S228 Y236 G294 R295 Y296	S228-G230 PolarHBondContact O-N 3.1Å; G230-Y236 VanDerWaalsContact O-CD1 3.32Å; G230-Y236 WeakPolarHBondContact O-CD1 3.42Å; G230-G294 PolarHBondContact N-O 3.28Å; G230-R295 CarbonylContact O-C 3.34Å; G230-R295 VanDerWaalsContact O-CA 3.25Å; G230-R295 WeakPolarHBondContact O-CA 3.25Å; G230-Y296 PolarHBondContact O-N 3.37Å
231	V	96.6	Very high	95.6	Very high	17 Å²	17	55.8 Å²	55.8	10%	0.103	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	136.7	176.2	-178.5	0	0	0	0	110.1	L205 S233 W234 Y236 Y296 A298	L205-V231 HydrophobicContact CD2-CG1 3.74Å; L205-V231 HydrophobicContact CD2-CG2 4.4Å; V231-S233 VanDerWaalsContact C-N 3.28Å; V231-S233 WeakPolarHBondContact CG1-OG 3.29Å; V231-S233 PolarHBondContact O-N 2.82Å; V231-W234 CarbonylContact O-C 3.55Å; V231-W234 PolarHBondContact O-N 2.86Å; V231-Y236 WeakPolarHBondContact O-CA 3.26Å; V231-Y236 PolarHBondContact O-N 3.36Å; V231-Y296 WeakPolarHBondContact CA-O 3.49Å; V231-A298 HydrophobicContact CG1-CB 3.61Å
232	S	94.8	Very high	95.9	Very high	26 Å²	26	53.3 Å²	53.3	18%	0.182	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-54.8	-38.4	-176.3	63.8	0	0	0	0	114	W234 N235 Y296 A298	S232-W234 PolarHBondContact O-N 2.86Å; S232-W234 VanDerWaalsContact O-N 3.14Å; S232-N235 PolarHBondContact O-N 2.95Å; S232-Y296 PolarHBondContact N-O 3.41Å; S232-A298 PolarHBondContact OG-N 3.47Å
233	S	93.7	Very high	96.3	Very high	72 Å²	72	47.1 Å²	47.1	50%	0.503	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-62.7	-19.2	178.1	60.4	0	0	0	0	113.6	V231	V231-S233 VanDerWaalsContact C-N 3.28Å; V231-S233 WeakPolarHBondContact CG1-OG 3.29Å; V231-S233 PolarHBondContact O-N 2.82Å
234	W	94.1	Very high	96.4	Very high	144 Å²	144	46.9 Å²	46.9	55%	0.545	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-108.7	24.5	176.1	-58.2	118.1	0	0	0	111.7	V231 S232 Y236 I237 P239	V231-W234 CarbonylContact O-C 3.55Å; V231-W234 PolarHBondContact O-N 2.86Å; S232-W234 PolarHBondContact O-N 2.86Å; S232-W234 VanDerWaalsContact O-N 3.14Å; W234-Y236 PolarHBondContact O-N 3.1Å; W234-Y236 VanDerWaalsContact O-N 3.12Å; W234-I237 WeakPolarHBondContact CB-O 3.38Å; W234-I237 WeakPolarHBondContact O-CB 3.33Å; W234-I237 PolarHBondContact O-N 2.76Å; W234-P239 HydrophobicContact CB-CG 4.34Å; W234-P239 HydrophobicContact CD2-CG 3.97Å; W234-P239 HydrophobicContact CG-CG 3.84Å
235	N	95.2	Very high	96.4	Very high	135 Å²	135	47.5 Å²	47.5	72%	0.722	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	32.9	-175.4	-64.3	-39.3	0	0	0	112.8	S232 I237	S232-N235 PolarHBondContact O-N 2.95Å; N235-I237 PolarHBondContact O-N 3.05Å
236	Y	95.5	Very high	96.4	Very high	55 Å²	55	48.1 Å²	48.1	22%	0.216	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	26	-174.1	-54.7	-84.5	0	0	0	113.8	L208 G230 V231 W234 K291 R295 Y296	L208-Y236 HydrophobicContact CD1-CE1 3.83Å; L208-Y236 WeakPolarHBondContact CD1-OH 3.21Å; G230-Y236 VanDerWaalsContact O-CD1 3.32Å; G230-Y236 WeakPolarHBondContact O-CD1 3.42Å; V231-Y236 WeakPolarHBondContact O-CA 3.26Å; V231-Y236 PolarHBondContact O-N 3.36Å; W234-Y236 PolarHBondContact O-N 3.1Å; W234-Y236 VanDerWaalsContact O-N 3.12Å; Y236-K291 WeakPolarHBondContact O-CE 3.23Å; Y236-K291 PolarHBondContact O-NZ 3.29Å; Y236-R295 HydrophobicContact CD1-CB 4.04Å; Y236-R295 HydrophobicContact CD1-CG 4.02Å; Y236-R295 HydrophobicContact CE1-CB 4.1Å; Y236-R295 VanDerWaalsContact CZ-NH2 3.25Å; Y236-Y296 WeakPolarHBondContact CE1-O 3.06Å
237	I	95.8	Very high	96.4	Very high	97 Å²	97	48.1 Å²	48.1	50%	0.497	25%	0.248	S	C	.	.			trans	-106.6	130.3	174.9	-61.3	171.2	0	0	0	108.4	W234 N235 P239	W234-I237 WeakPolarHBondContact CB-O 3.38Å; W234-I237 WeakPolarHBondContact O-CB 3.33Å; W234-I237 PolarHBondContact O-N 2.76Å; N235-I237 PolarHBondContact O-N 3.05Å; I237-P239 VanDerWaalsContact O-CD 3.25Å; I237-P239 WeakPolarHBondContact O-CD 3.36Å
238	L	96.5	Very high	96.4	Very high	37 Å²	37	48.2 Å²	48.2	19%	0.194	25%	0.249	C	C	.	.			trans	-65.3	119	174.1	-172.1	72.4	0	0	0	109.1	Y240 L243	L238-Y240 VanDerWaalsContact C-N 3.33Å; L238-Y240 WeakPolarHBondContact CD2-O 3.48Å; L238-Y240 PolarHBondContact O-N 2.82Å; L238-L243 HydrophobicContact CD1-CB 4.17Å; L238-L243 HydrophobicContact CD1-CD2 3.99Å; L238-L243 HydrophobicContact CD1-CG 4.43Å
239	P	95.3	Very high	96.4	Very high	60 Å²	60	48 Å²	48	39%	0.39	25%	0.248	S	C	.	.	S	Bend	trans	-57.4	-39.2	-175.3	-29.6	36.4	0	0	0	114.8	W234 I237 L243	W234-P239 HydrophobicContact CB-CG 4.34Å; W234-P239 HydrophobicContact CD2-CG 3.97Å; W234-P239 HydrophobicContact CG-CG 3.84Å; I237-P239 VanDerWaalsContact O-CD 3.25Å; I237-P239 WeakPolarHBondContact O-CD 3.36Å; P239-L243 HydrophobicContact CB-CD2 4.44Å; P239-L243 HydrophobicContact CG-CD2 3.91Å
240	Y	96.5	Very high	96.5	Very high	91 Å²	91	47.6 Å²	47.6	36%	0.357	25%	0.245	S	C	.	.	S	Bend	trans	-159	155.3	176.3	51.6	-93.2	0	0	0	110.8	L238 S242 L243 D273	L238-Y240 VanDerWaalsContact C-N 3.33Å; L238-Y240 WeakPolarHBondContact CD2-O 3.48Å; L238-Y240 PolarHBondContact O-N 2.82Å; Y240-S242 VanDerWaalsContact C-N 3.3Å; Y240-S242 VanDerWaalsContact CD2-OG 3.3Å; Y240-S242 WeakPolarHBondContact CD2-OG 3.26Å; Y240-S242 PolarHBondContact O-N 3.16Å; Y240-L243 HydrophobicContact CD2-CB 3.82Å; Y240-L243 VanDerWaalsContact CD2-N 3.35Å; Y240-L243 HydrophobicContact CE1-CB 4.35Å; Y240-L243 HydrophobicContact CE1-CD1 4.36Å; Y240-L243 VanDerWaalsContact CE2-CA 3.48Å; Y240-L243 HydrophobicContact CE2-CB 3.51Å; Y240-L243 HydrophobicContact CE2-CD1 4.19Å; Y240-L243 HydrophobicContact CE2-CG 4.45Å; Y240-L243 VanDerWaalsContact CE2-N 3.33Å; Y240-L243 HydrophobicContact CG-CB 4.36Å; Y240-L243 WeakPolarHBondContact O-CB 3.22Å; Y240-L243 PolarHBondContact O-N 2.8Å; Y240-L243 VanDerWaalsContact O-N 3.12Å; Y240-L243 VanDerWaalsContact OH-CD1 3.28Å; Y240-L243 WeakPolarHBondContact OH-CD1 3.38Å; Y240-D273 WeakPolarHBondContact CE2-OD1 3.38Å; Y240-D273 PolarHBondContact OH-OD1 3.36Å; Y240-D273 PolarHBondContact OH-OD2 2.82Å
241	K	96	Very high	96.5	Very high	177 Å²	177	47.8 Å²	47.8	77%	0.77	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-30.6	-168.9	-174.3	177.8	177.9	-178.8	0	114.5	H288	K241-H288 PolarHBondContact O-NE2 2.77Å
242	S	96.7	Very high	96.6	Very high	35 Å²	35	47.2 Å²	47.2	25%	0.245	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-2	179.6	53.4	0	0	0	0	114.5	Y240 I244 E276	Y240-S242 VanDerWaalsContact C-N 3.3Å; Y240-S242 VanDerWaalsContact CD2-OG 3.3Å; Y240-S242 WeakPolarHBondContact CD2-OG 3.26Å; Y240-S242 PolarHBondContact O-N 3.16Å; S242-I244 PolarHBondContact O-N 2.77Å; S242-E276 VanDerWaalsContact CB-OE1 3.31Å; S242-E276 WeakPolarHBondContact CB-OE1 3.19Å
243	L	97.5	Very high	96.6	Very high	23 Å²	23	49.4 Å²	49.4	12%	0.12	26%	0.262	C	S	.	.			trans	-67	123.9	-179.8	179.4	68.8	0	0	0	110.6	H226 L238 P239 Y240 D272 H288	H226-L243 PolarHBondContact ND1-O 2.84Å; L238-L243 HydrophobicContact CD1-CB 4.17Å; L238-L243 HydrophobicContact CD1-CD2 3.99Å; L238-L243 HydrophobicContact CD1-CG 4.43Å; P239-L243 HydrophobicContact CB-CD2 4.44Å; P239-L243 HydrophobicContact CG-CD2 3.91Å; Y240-L243 HydrophobicContact CD2-CB 3.82Å; Y240-L243 VanDerWaalsContact CD2-N 3.35Å; Y240-L243 HydrophobicContact CE1-CB 4.35Å; Y240-L243 HydrophobicContact CE1-CD1 4.36Å; Y240-L243 VanDerWaalsContact CE2-CA 3.48Å; Y240-L243 HydrophobicContact CE2-CB 3.51Å; Y240-L243 HydrophobicContact CE2-CD1 4.19Å; Y240-L243 HydrophobicContact CE2-CG 4.45Å; Y240-L243 VanDerWaalsContact CE2-N 3.33Å; Y240-L243 HydrophobicContact CG-CB 4.36Å; Y240-L243 WeakPolarHBondContact O-CB 3.22Å; Y240-L243 PolarHBondContact O-N 2.8Å; Y240-L243 VanDerWaalsContact O-N 3.12Å; Y240-L243 VanDerWaalsContact OH-CD1 3.28Å; Y240-L243 WeakPolarHBondContact OH-CD1 3.38Å; L243-D272 WeakPolarHBondContact CD1-OD2 3.14Å; L243-H288 PolarHBondContact O-CE1 3.16Å
244	I	97.7	Very high	96.8	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	24%	0.241	C	C	.	.			trans	-127.2	12.6	173.9	61.9	169.9	0	0	0	112.8	H226 S242 L248 L275 E276 L279 Y286	H226-I244 HydrophobicContact CB-CG2 4.41Å; S242-I244 PolarHBondContact O-N 2.77Å; I244-L248 HydrophobicContact CB-CD1 3.95Å; I244-L248 HydrophobicContact CD1-CD2 4.13Å; I244-L275 HydrophobicContact CD1-CB 4.3Å; I244-L275 HydrophobicContact CD1-CD2 4.18Å; I244-L275 HydrophobicContact CD1-CG 4.12Å; I244-E276 HydrophobicContact CD1-CB 3.79Å; I244-E276 HydrophobicContact CD1-CG 4.44Å; I244-E276 HydrophobicContact CG1-CB 4.15Å; I244-L279 HydrophobicContact CD1-CD1 3.81Å; I244-Y286 HydrophobicContact CG2-CD2 3.54Å; I244-Y286 HydrophobicContact CG2-CE2 3.85Å; I244-Y286 HydrophobicContact CG2-CG 4.07Å
245	G	97.1	Very high	97	Very high	13 Å²	13	39.7 Å²	39.7	13%	0.134	22%	0.215	C	C	.	.			trans	-77.1	171	177	0	0	0	0	0	113.7	H226 S228 V247 D272	H226-G245 PolarHBondContact NE2-O 3.1Å; S228-G245 PolarHBondContact OG-O 2.77Å; S228-G245 VanDerWaalsContact OG-O 3.04Å; G245-V247 PolarHBondContact O-N 3.26Å; G245-D272 WeakPolarHBondContact CA-OD2 3.47Å
246	G	97.8	Very high	97.1	Very high	14 Å²	14	34.2 Å²	34.2	14%	0.144	19%	0.186	C	C	.	.	S	Bend	trans	94	-87.9	-177	0	0	0	0	0	112	D202 S228	D202-G246 VanDerWaalsContact CG-O 3.23Å; D202-G246 PolarHBondContact N-O 2.92Å; S228-G246 WeakPolarHBondContact OG-CA 2.99Å
247	V	98.5	Very high	97.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	115.2	178.2	-168.6	0	0	0	0	110.4	I199 F200 H201 L205 H226 L227 S228 G245 Y296	I199-V247 HydrophobicContact CG2-CG1 3.73Å; F200-V247 VanDerWaalsContact O-CA 3.29Å; F200-V247 WeakPolarHBondContact O-CA 3.46Å; H201-V247 HydrophobicContact CB-CG1 4.19Å; H201-V247 VanDerWaalsContact CD2-CG1 3.43Å; H201-V247 WeakPolarHBondContact CD2-CG1 3.16Å; L205-V247 HydrophobicContact CB-CG2 4.34Å; L205-V247 HydrophobicContact CD1-CG2 3.9Å; H226-V247 PolarHBondContact CD2-O 2.91Å; L227-V247 HydrophobicContact CB-CB 4.15Å; L227-V247 HydrophobicContact CB-CG1 4.02Å; L227-V247 HydrophobicContact CD1-CG1 3.93Å; L227-V247 HydrophobicContact CG-CG1 4.45Å; L227-V247 PolarHBondContact N-O 3.04Å; S228-V247 PolarHBondContact N-O 3.28Å; S228-V247 PolarHBondContact OG-N 2.77Å; G245-V247 PolarHBondContact O-N 3.26Å; V247-Y296 HydrophobicContact CB-CE1 4.5Å; V247-Y296 HydrophobicContact CG2-CD1 4.26Å; V247-Y296 HydrophobicContact CG2-CE1 3.74Å
248	L	98.1	Very high	97.2	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	131.3	-175.3	-171.4	69.8	0	0	0	110.4	I199 F200 V224 H226 I244 L275	I199-L248 CarbonylContact C-O 3.5Å; I199-L248 VanDerWaalsContact CA-O 3.31Å; I199-L248 WeakPolarHBondContact CA-O 3.11Å; F200-L248 PolarHBondContact N-O 2.68Å; F200-L248 PolarHBondContact O-N 2.88Å; V224-L248 HydrophobicContact CG1-CD1 3.41Å; V224-L248 VanDerWaalsContact CG1-CD1 3.41Å; V224-L248 HydrophobicContact CG1-CD2 3.95Å; V224-L248 HydrophobicContact CG1-CG 3.74Å; H226-L248 HydrophobicContact CB-CD1 4Å; I244-L248 HydrophobicContact CB-CD1 3.95Å; I244-L248 HydrophobicContact CD1-CD2 4.13Å; L248-L275 HydrophobicContact CD2-CD2 3.55Å
249	K	98.1	Very high	97.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.8	173.7	179.4	176.2	65.2	162.3	0	109.9	V198 I199 P213 G215 D217 T220 V225 L227	V198-K249 WeakPolarHBondContact O-CA 3.49Å; I199-K249 HydrophobicContact CD1-CB 4.47Å; I199-K249 HydrophobicContact CD1-CD 4.29Å; I199-K249 HydrophobicContact CD1-CG 4.38Å; I199-K249 HydrophobicContact CG1-CB 3.97Å; I199-K249 HydrophobicContact CG1-CD 4.37Å; I199-K249 HydrophobicContact CG1-CG 3.93Å; P213-K249 WeakPolarHBondContact O-CE 3.4Å; P213-K249 PolarHBondContact O-NZ 3.09Å; G215-K249 WeakPolarHBondContact O-CD 3.44Å; G215-K249 PolarHBondContact O-NZ 3.33Å; D217-K249 VanDerWaalsContact CG-NZ 3.25Å; D217-K249 IonicContact OD1-NZ 2.72Å; D217-K249 PolarHBondContact OD1-NZ 2.81Å; D217-K249 VanDerWaalsContact OD1-NZ 3.14Å; D217-K249 IonicContact OD2-NZ 3.14Å; D217-K249 PolarHBondContact OD2-NZ 2.92Å; T220-K249 HydrophobicContact CG2-CD 4.21Å; T220-K249 HydrophobicContact CG2-CG 3.82Å; T220-K249 WeakPolarHBondContact OG1-CD 3.38Å; T220-K249 WeakPolarHBondContact OG1-CE 3.4Å; T220-K249 PolarHBondContact OG1-NZ 3.2Å; V225-K249 HydrophobicContact CB-CB 4.32Å; V225-K249 PolarHBondContact N-O 3.32Å; V225-K249 PolarHBondContact O-N 3.47Å; L227-K249 HydrophobicContact CD1-CB 4.05Å; L227-K249 HydrophobicContact CG-CB 4.28Å
250	I	98.2	Very high	97.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	145.2	-178.1	-178.9	163.6	0	0	0	110.1	C197 V198 F200 V224 Q254 F255 L279	C197-I250 WeakPolarHBondContact CA-O 3.41Å; V198-I250 HydrophobicContact CG1-CG2 3.51Å; V198-I250 PolarHBondContact N-O 2.87Å; V198-I250 PolarHBondContact O-N 2.95Å; F200-I250 HydrophobicContact CD2-CG2 4.16Å; F200-I250 HydrophobicContact CE2-CG2 3.72Å; V224-I250 HydrophobicContact CG1-CB 4.23Å; V224-I250 HydrophobicContact CG2-CB 4.22Å; V224-I250 HydrophobicContact CG2-CD1 3.57Å; V224-I250 HydrophobicContact CG2-CG1 3.72Å; I250-Q254 HydrophobicContact CD1-CB 3.92Å; I250-Q254 HydrophobicContact CG1-CB 3.71Å; I250-F255 HydrophobicContact CD1-CB 4.02Å; I250-F255 HydrophobicContact CD1-CD2 4.29Å; I250-F255 HydrophobicContact CG1-CB 4.17Å; I250-F255 HydrophobicContact CG2-CB 4.13Å; I250-F255 HydrophobicContact CG2-CD2 4.2Å; I250-F255 HydrophobicContact CG2-CG 4.46Å; I250-L279 HydrophobicContact CD1-CD2 4.08Å
251	S	97.7	Very high	97.5	Very high	4 Å²	4	21 Å²	21	3%	0.028	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	146.8	171.9	66.6	0	0	0	0	111.3	N196 T220 A253 Q254 F255	N196-S251 CarbonylContact O-C 3.49Å; N196-S251 VanDerWaalsContact O-CA 3.32Å; N196-S251 WeakPolarHBondContact O-CA 3.45Å; T220-S251 WeakPolarHBondContact O-CB 3.3Å; S251-A253 PolarHBondContact O-N 2.95Å; S251-Q254 PolarHBondContact O-N 2.69Å; S251-Q254 VanDerWaalsContact OG-CB 3.28Å; S251-Q254 WeakPolarHBondContact OG-CB 3.36Å; S251-Q254 WeakPolarHBondContact OG-CG 3.24Å; S251-Q254 PolarHBondContact OG-N 2.61Å; S251-Q254 VanDerWaalsContact OG-N 3.13Å; S251-Q254 PolarHBondContact OG-OE1 3.31Å; S251-F255 PolarHBondContact O-N 2.65Å
252	S	97	Very high	97.6	Very high	6 Å²	6	12.6 Å²	12.6	4%	0.042	8%	0.084	C	C	.	.	H	α-helix	trans	-52.4	-38.6	172.8	-70.8	0	0	0	0	111.5	F195 N196 I256	F195-S252 WeakPolarHBondContact CD2-OG 3.48Å; F195-S252 VanDerWaalsContact CE2-OG 3.22Å; F195-S252 WeakPolarHBondContact CE2-OG 3.49Å; F195-S252 PolarHBondContact O-OG 2.98Å; N196-S252 PolarHBondContact O-N 3.38Å; N196-S252 PolarHBondContact O-OG 3.25Å; S252-I256 WeakPolarHBondContact O-CB 3.41Å; S252-I256 WeakPolarHBondContact O-CD1 3.33Å; S252-I256 WeakPolarHBondContact O-CG1 3.33Å; S252-I256 PolarHBondContact O-N 3.41Å; S252-I256 VanDerWaalsContact O-N 3.08Å
253	A	96.2	Very high	97.7	Very high	71 Å²	71	11.5 Å²	11.5	59%	0.587	8%	0.075	S	C	*	.	H	α-helix	trans	-66.4	-48.8	178.8	0	0	0	0	0	112.2	S251 F255 I256 Q257	S251-A253 PolarHBondContact O-N 2.95Å; A253-F255 PolarHBondContact O-N 3.31Å; A253-I256 PolarHBondContact O-N 3.41Å; A253-Q257 WeakPolarHBondContact O-CB 3.49Å; A253-Q257 PolarHBondContact O-N 2.76Å
254	Q	96.7	Very high	97.7	Very high	12 Å²	12	12.5 Å²	12.5	6%	0.056	8%	0.084	C	C	.	.	H	α-helix	trans	-64	-40.6	177.2	-73.6	163.6	-23.1	0	0	111.9	T220 M221 E222 I250 S251 I256 Q257 V258 I284	T220-Q254 PolarHBondContact O-OE1 2.76Å; M221-Q254 PolarHBondContact O-NE2 3.37Å; E222-Q254 PolarHBondContact O-NE2 2.98Å; I250-Q254 HydrophobicContact CD1-CB 3.92Å; I250-Q254 HydrophobicContact CG1-CB 3.71Å; S251-Q254 PolarHBondContact O-N 2.69Å; S251-Q254 VanDerWaalsContact OG-CB 3.28Å; S251-Q254 WeakPolarHBondContact OG-CB 3.36Å; S251-Q254 WeakPolarHBondContact OG-CG 3.24Å; S251-Q254 PolarHBondContact OG-N 2.61Å; S251-Q254 VanDerWaalsContact OG-N 3.13Å; S251-Q254 PolarHBondContact OG-OE1 3.31Å; Q254-I256 VanDerWaalsContact C-N 3.34Å; Q254-I256 PolarHBondContact O-N 2.95Å; Q254-Q257 WeakPolarHBondContact O-CB 3.38Å; Q254-Q257 PolarHBondContact O-N 3.22Å; Q254-V258 PolarHBondContact O-N 2.91Å; Q254-I284 HydrophobicContact CB-CD1 4.09Å; Q254-I284 HydrophobicContact CG-CD1 4.18Å; Q254-I284 HydrophobicContact CG-CG1 4.48Å; Q254-I284 HydrophobicContact CG-CG2 4.08Å
255	F	98.1	Very high	97.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.7	-40.9	178.6	-171.4	-110.5	0	0	0	111.8	N183 F186 F200 I250 S251 A253 V258 G260 Y261 L328	N183-F255 WeakPolarHBondContact OD1-CZ 3.36Å; F186-F255 HydrophobicContact CB-CD1 4.31Å; F186-F255 HydrophobicContact CB-CE1 3.68Å; F186-F255 AromaticContact CD1-CD1 3.76Å; F186-F255 HydrophobicContact CD1-CD1 3.76Å; F186-F255 AromaticContact CD1-CE1 3.74Å; F186-F255 HydrophobicContact CD1-CE1 3.74Å; F186-F255 AromaticContact CD2-CD1 3.49Å; F186-F255 HydrophobicContact CD2-CD1 3.49Å; F186-F255 VanDerWaalsContact CD2-CD1 3.49Å; F186-F255 AromaticContact CD2-CE1 3.76Å; F186-F255 HydrophobicContact CD2-CE1 3.76Å; F186-F255 HydrophobicContact CD2-CG 4.44Å; F186-F255 AromaticContact CE1-CD1 3.82Å; F186-F255 HydrophobicContact CE1-CD1 3.82Å; F186-F255 HydrophobicContact CE1-CE1 4.26Å; F186-F255 HydrophobicContact CE2-CB 4.36Å; F186-F255 AromaticContact CE2-CD1 3.55Å; F186-F255 HydrophobicContact CE2-CD1 3.55Å; F186-F255 HydrophobicContact CE2-CE1 4.28Å; F186-F255 HydrophobicContact CE2-CG 4.32Å; F186-F255 AromaticContact CG-CD1 3.58Å; F186-F255 HydrophobicContact CG-CD1 3.58Å; F186-F255 AromaticContact CG-CE1 3.45Å; F186-F255 HydrophobicContact CG-CE1 3.45Å; F186-F255 VanDerWaalsContact CG-CE1 3.45Å; F186-F255 AromaticContact CZ-CD1 3.71Å; F186-F255 HydrophobicContact CZ-CD1 3.71Å; F200-F255 HydrophobicContact CE1-CE2 4.49Å; F200-F255 HydrophobicContact CE1-CZ 4.18Å; F200-F255 AromaticContact CE2-CD2 3.64Å; F200-F255 HydrophobicContact CE2-CD2 3.64Å; F200-F255 HydrophobicContact CE2-CE1 4.47Å; F200-F255 AromaticContact CE2-CE2 3.45Å; F200-F255 HydrophobicContact CE2-CE2 3.45Å; F200-F255 VanDerWaalsContact CE2-CE2 3.45Å; F200-F255 HydrophobicContact CE2-CG 4.25Å; F200-F255 AromaticContact CE2-CZ 3.91Å; F200-F255 HydrophobicContact CE2-CZ 3.91Å; F200-F255 HydrophobicContact CZ-CD1 4.18Å; F200-F255 AromaticContact CZ-CD2 3.88Å; F200-F255 HydrophobicContact CZ-CD2 3.88Å; F200-F255 AromaticContact CZ-CE1 3.73Å; F200-F255 HydrophobicContact CZ-CE1 3.73Å; F200-F255 AromaticContact CZ-CE2 3.41Å; F200-F255 HydrophobicContact CZ-CE2 3.41Å; F200-F255 VanDerWaalsContact CZ-CE2 3.41Å; F200-F255 HydrophobicContact CZ-CG 4.23Å; F200-F255 AromaticContact CZ-CZ 3.33Å; F200-F255 HydrophobicContact CZ-CZ 3.33Å; I250-F255 HydrophobicContact CD1-CB 4.02Å; I250-F255 HydrophobicContact CD1-CD2 4.29Å; I250-F255 HydrophobicContact CG1-CB 4.17Å; I250-F255 HydrophobicContact CG2-CB 4.13Å; I250-F255 HydrophobicContact CG2-CD2 4.2Å; I250-F255 HydrophobicContact CG2-CG 4.46Å; S251-F255 PolarHBondContact O-N 2.65Å; A253-F255 PolarHBondContact O-N 3.31Å; F255-V258 WeakPolarHBondContact O-CG2 3.46Å; F255-V258 PolarHBondContact O-N 2.94Å; F255-G260 VanDerWaalsContact CE2-CA 3.43Å; F255-G260 VanDerWaalsContact CZ-CA 3.41Å; F255-G260 WeakPolarHBondContact O-CA 3.34Å; F255-G260 PolarHBondContact O-N 3.06Å; F255-Y261 AromaticContact CE2-CD2 3.57Å; F255-Y261 HydrophobicContact CE2-CD2 3.57Å; F255-Y261 AromaticContact CE2-CE2 3.75Å; F255-Y261 HydrophobicContact CE2-CE2 3.75Å; F255-Y261 HydrophobicContact CE2-CG 4.44Å; F255-Y261 AromaticContact CZ-CD2 3.76Å; F255-Y261 HydrophobicContact CZ-CD2 3.76Å; F255-Y261 HydrophobicContact CZ-CE2 4.22Å; F255-L328 HydrophobicContact CD1-CD1 3.99Å; F255-L328 HydrophobicContact CE1-CD1 3.97Å; F255-L328 HydrophobicContact CE1-CD2 3.89Å; F255-L328 HydrophobicContact CE1-CG 4.26Å
256	I	97.7	Very high	97.7	Very high	21 Å²	21	17.3 Å²	17.3	11%	0.108	10%	0.098	C	C	.	.	H	α-helix	trans	-66	-44.4	172.4	-64.8	167.9	0	0	0	109.7	T47 I51 F186 R190 S252 A253 Q254 V258 N259 L328	T47-I256 VanDerWaalsContact CB-CG2 3.44Å; T47-I256 HydrophobicContact CG2-CG2 3.87Å; T47-I256 WeakPolarHBondContact CG2-O 3.48Å; T47-I256 WeakPolarHBondContact O-CG2 3.31Å; I51-I256 HydrophobicContact CD1-CG2 4.49Å; F186-I256 HydrophobicContact CE1-CD1 4.2Å; F186-I256 HydrophobicContact CE1-CG1 3.75Å; F186-I256 HydrophobicContact CZ-CD1 4Å; F186-I256 HydrophobicContact CZ-CG1 3.69Å; R190-I256 VanDerWaalsContact NH1-CD1 3.35Å; S252-I256 WeakPolarHBondContact O-CB 3.41Å; S252-I256 WeakPolarHBondContact O-CD1 3.33Å; S252-I256 WeakPolarHBondContact O-CG1 3.33Å; S252-I256 PolarHBondContact O-N 3.41Å; S252-I256 VanDerWaalsContact O-N 3.08Å; A253-I256 PolarHBondContact O-N 3.41Å; Q254-I256 VanDerWaalsContact C-N 3.34Å; Q254-I256 PolarHBondContact O-N 2.95Å; I256-V258 PolarHBondContact O-N 2.76Å; I256-V258 VanDerWaalsContact O-N 3.14Å; I256-N259 WeakPolarHBondContact O-CA 3.34Å; I256-N259 PolarHBondContact O-N 2.87Å; I256-L328 HydrophobicContact CG1-CD1 4.34Å
257	Q	95.9	Very high	97.7	Very high	44 Å²	44	17.1 Å²	17.1	21%	0.206	10%	0.096	C	C	.	.	H	α-helix	trans	-57.1	-29	178.8	-174.1	-178.2	-4.1	0	0	113.5	Y40 L43 A253 Q254 N259 I284	Y40-Q257 PolarHBondContact OH-NE2 3.3Å; L43-Q257 WeakPolarHBondContact CD2-O 3.43Å; A253-Q257 WeakPolarHBondContact O-CB 3.49Å; A253-Q257 PolarHBondContact O-N 2.76Å; Q254-Q257 WeakPolarHBondContact O-CB 3.38Å; Q254-Q257 PolarHBondContact O-N 3.22Å; Q257-N259 VanDerWaalsContact C-N 3.35Å; Q257-I284 HydrophobicContact CB-CD1 4.27Å; Q257-I284 HydrophobicContact CG-CD1 4.18Å
258	V	97.2	Very high	97.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	7.6	174.7	-61.1	0	0	0	0	114	Q254 F255 I256 G260 L275 R278 L279 I284 M323	Q254-V258 PolarHBondContact O-N 2.91Å; F255-V258 WeakPolarHBondContact O-CG2 3.46Å; F255-V258 PolarHBondContact O-N 2.94Å; I256-V258 PolarHBondContact O-N 2.76Å; I256-V258 VanDerWaalsContact O-N 3.14Å; V258-G260 PolarHBondContact O-N 3.14Å; V258-L275 HydrophobicContact CG2-CD1 3.77Å; V258-R278 HydrophobicContact CB-CB 4.02Å; V258-R278 HydrophobicContact CG1-CB 4.34Å; V258-L279 HydrophobicContact CG1-CD2 3.77Å; V258-L279 HydrophobicContact CG1-CG 4.36Å; V258-I284 HydrophobicContact CG1-CD1 3.61Å; V258-M323 HydrophobicContact CB-CE 4.21Å
259	N	98.3	Very high	97.3	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.016	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	34.8	-171.1	-168.8	29.4	0	0	0	112.3	I256 Q257 R278 M323 G327 L328 N329	I256-N259 WeakPolarHBondContact O-CA 3.34Å; I256-N259 PolarHBondContact O-N 2.87Å; Q257-N259 VanDerWaalsContact C-N 3.35Å; N259-R278 PolarHBondContact O-NH1 3.44Å; N259-M323 VanDerWaalsContact CB-O 3.32Å; N259-M323 WeakPolarHBondContact CB-O 3.49Å; N259-M323 PolarHBondContact ND2-O 3.14Å; N259-G327 WeakPolarHBondContact ND2-CA 3.41Å; N259-G327 CarbonylContact O-C 3.52Å; N259-G327 WeakPolarHBondContact O-CA 3.49Å; N259-L328 PolarHBondContact O-N 3.33Å; N259-L328 PolarHBondContact OD1-N 3.46Å; N259-N329 VanDerWaalsContact ND2-CG 3.26Å; N259-N329 PolarHBondContact ND2-OD1 2.88Å; N259-N329 PolarHBondContact OD1-N 2.99Å; N259-N329 PolarHBondContact OD1-OD1 3.45Å
260	G	98.4	Very high	97.2	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	57.7	-156.1	-177.3	0	0	0	0	0	115.1	F255 V258 R278	F255-G260 VanDerWaalsContact CE2-CA 3.43Å; F255-G260 VanDerWaalsContact CZ-CA 3.41Å; F255-G260 WeakPolarHBondContact O-CA 3.34Å; F255-G260 PolarHBondContact O-N 3.06Å; V258-G260 PolarHBondContact O-N 3.14Å; G260-R278 WeakPolarHBondContact O-CD 3.43Å; G260-R278 PolarHBondContact O-NH1 3.28Å
261	Y	98.7	Very high	97.2	Very high	16 Å²	16	24.7 Å²	24.7	6%	0.063	13%	0.131	C	C	.	.	S	Bend	trans	-73.9	162.2	176.1	-73.7	-82.5	0	0	0	112.1	A179 M182 N183 F200 F255 L275 R278 G327	A179-Y261 HydrophobicContact CB-CD1 4.22Å; A179-Y261 HydrophobicContact CB-CG 4.14Å; M182-Y261 HydrophobicContact CB-CD2 3.73Å; M182-Y261 HydrophobicContact CB-CE2 3.87Å; M182-Y261 HydrophobicContact CG-CE2 4.3Å; N183-Y261 PolarHBondContact ND2-O 3.07Å; N183-Y261 PolarHBondContact OD1-N 2.87Å; F200-Y261 HydrophobicContact CD1-CE2 4.04Å; F200-Y261 AromaticContact CD2-CE2 3.66Å; F200-Y261 HydrophobicContact CD2-CE2 3.66Å; F200-Y261 HydrophobicContact CE1-CE2 4.11Å; F200-Y261 AromaticContact CE2-CE2 3.75Å; F200-Y261 HydrophobicContact CE2-CE2 3.75Å; F200-Y261 AromaticContact CG-CE2 3.8Å; F200-Y261 HydrophobicContact CG-CE2 3.8Å; F200-Y261 AromaticContact CZ-CE2 3.98Å; F200-Y261 HydrophobicContact CZ-CE2 3.98Å; F255-Y261 AromaticContact CE2-CD2 3.57Å; F255-Y261 HydrophobicContact CE2-CD2 3.57Å; F255-Y261 AromaticContact CE2-CE2 3.75Å; F255-Y261 HydrophobicContact CE2-CE2 3.75Å; F255-Y261 HydrophobicContact CE2-CG 4.44Å; F255-Y261 AromaticContact CZ-CD2 3.76Å; F255-Y261 HydrophobicContact CZ-CD2 3.76Å; F255-Y261 HydrophobicContact CZ-CE2 4.22Å; Y261-L275 HydrophobicContact CD1-CB 3.88Å; Y261-L275 HydrophobicContact CD1-CD2 3.96Å; Y261-L275 HydrophobicContact CD1-CG 4.35Å; Y261-L275 HydrophobicContact CE1-CB 3.81Å; Y261-L275 HydrophobicContact CE1-CD2 3.3Å; Y261-L275 HydrophobicContact CE1-CG 4.09Å; Y261-L275 HydrophobicContact CE2-CD2 4.2Å; Y261-L275 VanDerWaalsContact CZ-CD2 3.43Å; Y261-R278 PolarHBondContact O-NH1 3.12Å; Y261-G327 WeakPolarHBondContact O-CA 3.46Å
262	S	98.5	Very high	97.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.135	C	C	.	.			trans	-69.5	134.2	167.2	172.8	0	0	0	0	111.5	A179 S264 Y265 R278 R322 D326	A179-S262 VanDerWaalsContact CB-O 3.32Å; A179-S262 WeakPolarHBondContact CB-O 3.47Å; S262-S264 VanDerWaalsContact C-N 3.26Å; S262-S264 PolarHBondContact O-N 3.14Å; S262-S264 PolarHBondContact OG-N 3.22Å; S262-Y265 VanDerWaalsContact CB-CE2 3.47Å; S262-Y265 VanDerWaalsContact OG-CD2 3.26Å; S262-Y265 WeakPolarHBondContact OG-CD2 3.34Å; S262-Y265 VanDerWaalsContact OG-CE2 3.24Å; S262-Y265 WeakPolarHBondContact OG-CE2 3.29Å; S262-R278 VanDerWaalsContact CA-NH2 3.25Å; S262-R278 VanDerWaalsContact CB-NH2 3.3Å; S262-R322 PolarHBondContact OG-NH1 3.36Å; S262-D326 PolarHBondContact OG-OD2 2.91Å
263	N	98.4	Very high	97.3	Very high	12 Å²	12	27 Å²	27	6%	0.064	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-1.5	174.5	-55.3	-58.3	0	0	0	112.9	N177 R180 N183 D326 G327	N177-N263 PolarHBondContact ND2-O 3.29Å; R180-N263 HydrophobicContact CB-CB 4.25Å; R180-N263 HydrophobicContact CG-CB 3.97Å; N183-N263 PolarHBondContact ND2-OD1 3.43Å; N263-D326 WeakPolarHBondContact CA-OD1 3.48Å; N263-D326 VanDerWaalsContact CB-OD1 3.24Å; N263-D326 WeakPolarHBondContact CB-OD1 3.5Å; N263-D326 PolarHBondContact N-OD1 2.92Å; N263-D326 PolarHBondContact ND2-OD1 3.29Å; N263-D326 VanDerWaalsContact ND2-OD1 3.16Å; N263-G327 PolarHBondContact ND2-N 2.85Å; N263-G327 PolarHBondContact ND2-O 3.16Å
264	S	97.9	Very high	97.4	Very high	44 Å²	44	23.6 Å²	23.6	31%	0.308	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-4.6	-168.2	-61.2	0	0	0	0	114.8	S262 W266 L315 D326	S262-S264 VanDerWaalsContact C-N 3.26Å; S262-S264 PolarHBondContact O-N 3.14Å; S262-S264 PolarHBondContact OG-N 3.22Å; S264-W266 PolarHBondContact O-N 3.3Å; S264-L315 WeakPolarHBondContact O-CD1 3.34Å; S264-D326 WeakPolarHBondContact CB-OD2 3.34Å; S264-D326 PolarHBondContact OG-OD2 3.18Å
265	Y	97.9	Very high	97.5	Very high	4 Å²	4	23 Å²	23	2%	0.016	11%	0.112	C	C	.	.			trans	-87.4	96.9	-176.9	-71.8	-91.3	0	0	0	111.9	N177 S262 G269 G270 E271 D274 V312 L315 L316	N177-Y265 PolarHBondContact OD1-O 2.78Å; N177-Y265 VanDerWaalsContact OD1-O 3.11Å; S262-Y265 VanDerWaalsContact CB-CE2 3.47Å; S262-Y265 VanDerWaalsContact OG-CD2 3.26Å; S262-Y265 WeakPolarHBondContact OG-CD2 3.34Å; S262-Y265 VanDerWaalsContact OG-CE2 3.24Å; S262-Y265 WeakPolarHBondContact OG-CE2 3.29Å; Y265-G269 WeakPolarHBondContact CD1-O 3.5Å; Y265-G270 WeakPolarHBondContact CE1-O 3.29Å; Y265-E271 HydrophobicContact CD1-CB 4.29Å; Y265-E271 HydrophobicContact CD2-CB 3.99Å; Y265-E271 HydrophobicContact CG-CB 3.76Å; Y265-D274 HydrophobicContact CE2-CB 3.58Å; Y265-D274 WeakPolarHBondContact CE2-OD2 3.48Å; Y265-D274 WeakPolarHBondContact OH-CB 3.21Å; Y265-D274 PolarHBondContact OH-OD2 3.4Å; Y265-D274 VanDerWaalsContact OH-OD2 3.14Å; Y265-V312 HydrophobicContact CE1-CG1 4.28Å; Y265-L315 HydrophobicContact CD1-CD1 4.1Å; Y265-L315 HydrophobicContact CD2-CD1 4.41Å; Y265-L315 HydrophobicContact CE1-CB 4.02Å; Y265-L315 HydrophobicContact CE1-CD1 4Å; Y265-L315 HydrophobicContact CE2-CB 4.25Å; Y265-L315 HydrophobicContact CE2-CD1 4.31Å; Y265-L315 HydrophobicContact CG-CD1 4.29Å; Y265-L315 WeakPolarHBondContact OH-CB 3.3Å; Y265-L316 WeakPolarHBondContact OH-CD2 3.48Å; Y265-L316 PolarHBondContact OH-N 3.06Å
266	W	97.2	Very high	97.5	Very high	110 Å²	110	23.4 Å²	23.4	42%	0.417	11%	0.114	S	C	.	.			trans	-93.5	116.2	173	-64	93.3	0	0	0	110.7	I175 N177 S264 G307 L351	I175-W266 HydrophobicContact CG2-CB 4.15Å; I175-W266 WeakPolarHBondContact O-CZ3 3.44Å; N177-W266 HydrophobicContact CB-CD2 4.09Å; N177-W266 HydrophobicContact CB-CE3 3.67Å; N177-W266 HydrophobicContact CB-CH2 4.23Å; N177-W266 HydrophobicContact CB-CZ3 3.74Å; S264-W266 PolarHBondContact O-N 3.3Å; W266-G307 WeakPolarHBondContact O-CA 3.35Å; W266-L351 HydrophobicContact CH2-CB 4.36Å; W266-L351 HydrophobicContact CH2-CD1 3.99Å; W266-L351 HydrophobicContact CZ3-CD1 4.16Å
267	G	96.5	Very high	97.5	Very high	10 Å²	10	27.7 Å²	27.7	10%	0.103	13%	0.129	C	C	.	.	S	Bend	trans	95.8	178.5	-176.2	0	0	0	0	0	111.8	I175 L176 V305	I175-G267 VanDerWaalsContact CG2-CA 3.41Å; L176-G267 PolarHBondContact O-N 2.99Å; G267-V305 CarbonylContact C-O 3.58Å; G267-V305 WeakPolarHBondContact CA-O 3.42Å
268	W	94.5	Very high	97.6	Very high	128 Å²	128	25.6 Å²	25.6	49%	0.485	12%	0.119	S	C	.	.	B	Isolated β-bridge	trans	-73.7	128.3	-178.8	-178.1	88.3	0	0	0	111.5	Q304 V305 R306 G307	W268-Q304 HydrophobicContact CB-CB 4.08Å; W268-V305 PolarHBondContact N-O 3.45Å; W268-R306 HydrophobicContact CE3-CG 4.13Å; W268-G307 PolarHBondContact O-N 3Å
269	G	94.5	Very high	97.7	Very high	13 Å²	13	25.6 Å²	25.6	13%	0.134	12%	0.119	C	C	.	.	S	Bend	trans	118.3	135.9	161	0	0	0	0	0	115.5	Y265 E271	Y265-G269 WeakPolarHBondContact CD1-O 3.5Å; G269-E271 VanDerWaalsContact C-OE2 3.25Å; G269-E271 WeakPolarHBondContact CA-OE2 3.17Å; G269-E271 PolarHBondContact N-OE2 3.26Å
270	G	96.8	Very high	97.6	Very high	5 Å²	5	30.9 Å²	30.9	5%	0.052	14%	0.142	C	C	.	.	S	Bend	trans	92	-7.4	168.8	0	0	0	0	0	114.8	Y265 D274 L316	Y265-G270 WeakPolarHBondContact CE1-O 3.29Å; G270-D274 WeakPolarHBondContact O-CB 3.38Å; G270-D274 PolarHBondContact O-N 3.15Å; G270-L316 WeakPolarHBondContact O-CD2 3.14Å
271	E	98.3	Very high	97.5	Very high	16 Å²	16	33.1 Å²	33.1	8%	0.075	16%	0.16	C	C	.	.	H	α-helix	trans	-73.7	-32.1	-178.7	78.4	-74.7	-177.7	0	0	113.5	K178 A179 Y265 G269 L275	K178-E271 IonicContact NZ-OE1 2.93Å; A179-E271 HydrophobicContact CB-CB 3.64Å; A179-E271 HydrophobicContact CB-CG 3.83Å; Y265-E271 HydrophobicContact CD1-CB 4.29Å; Y265-E271 HydrophobicContact CD2-CB 3.99Å; Y265-E271 HydrophobicContact CG-CB 3.76Å; G269-E271 VanDerWaalsContact C-OE2 3.25Å; G269-E271 WeakPolarHBondContact CA-OE2 3.17Å; G269-E271 PolarHBondContact N-OE2 3.26Å; E271-L275 PolarHBondContact O-N 3.43Å
272	D	98	Very high	97.4	Very high	21 Å²	21	32.8 Å²	32.8	11%	0.112	16%	0.16	C	C	.	.	H	α-helix	trans	-75.7	-40.9	173.9	53.9	-17.3	0	0	0	111.7	L243 G245 D274 L275 E276	L243-D272 WeakPolarHBondContact CD1-OD2 3.14Å; G245-D272 WeakPolarHBondContact CA-OD2 3.47Å; D272-D274 VanDerWaalsContact C-N 3.29Å; D272-D274 PolarHBondContact O-N 3.24Å; D272-L275 PolarHBondContact O-N 2.9Å; D272-E276 PolarHBondContact O-N 3.28Å
273	D	98.2	Very high	97.3	Very high	36 Å²	36	39.4 Å²	39.4	19%	0.193	20%	0.196	C	C	.	.	H	α-helix	trans	-61.1	-36.1	170.6	-74.1	-45.7	0	0	0	112.2	Y240 E276 R277 L316	Y240-D273 WeakPolarHBondContact CE2-OD1 3.38Å; Y240-D273 PolarHBondContact OH-OD1 3.36Å; Y240-D273 PolarHBondContact OH-OD2 2.82Å; D273-E276 PolarHBondContact O-N 3.19Å; D273-R277 WeakPolarHBondContact O-CG 3.3Å; D273-R277 PolarHBondContact O-N 3.28Å; D273-R277 VanDerWaalsContact O-N 3.15Å; D273-L316 HydrophobicContact CB-CD2 3.57Å
274	D	98.6	Very high	97.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.5	-48.2	173.8	-173.7	-69.4	0	0	0	111.1	Y265 G270 D272 E276 R277 R278 L316 A319 R322	Y265-D274 HydrophobicContact CE2-CB 3.58Å; Y265-D274 WeakPolarHBondContact CE2-OD2 3.48Å; Y265-D274 WeakPolarHBondContact OH-CB 3.21Å; Y265-D274 PolarHBondContact OH-OD2 3.4Å; Y265-D274 VanDerWaalsContact OH-OD2 3.14Å; G270-D274 WeakPolarHBondContact O-CB 3.38Å; G270-D274 PolarHBondContact O-N 3.15Å; D272-D274 VanDerWaalsContact C-N 3.29Å; D272-D274 PolarHBondContact O-N 3.24Å; D274-E276 VanDerWaalsContact C-N 3.25Å; D274-E276 PolarHBondContact O-N 3.23Å; D274-R277 WeakPolarHBondContact O-CB 3.5Å; D274-R277 PolarHBondContact O-N 3.49Å; D274-R277 VanDerWaalsContact O-N 3.08Å; D274-R278 WeakPolarHBondContact O-CG 3.4Å; D274-R278 PolarHBondContact O-N 3.5Å; D274-R278 IonicContact OD1-CZ 3.65Å; D274-R278 IonicContact OD1-NE 3.5Å; D274-R278 PolarHBondContact OD1-NE 2.88Å; D274-R278 IonicContact OD1-NH2 2.93Å; D274-R278 PolarHBondContact OD1-NH2 2.85Å; D274-L316 HydrophobicContact CB-CD2 4.24Å; D274-A319 HydrophobicContact CB-CB 4.46Å; D274-A319 VanDerWaalsContact OD2-CB 3.29Å; D274-A319 WeakPolarHBondContact OD2-CB 3.46Å; D274-R322 IonicContact OD2-CZ 3.21Å; D274-R322 IonicContact OD2-NH2 3.78Å; D274-R322 PolarHBondContact OD2-NH2 3.12Å
275	L	98.5	Very high	97.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-57.7	-41.3	176	179.6	63.8	0	0	0	111.1	I244 L248 V258 Y261 E271 D272 R277 R278 L279	I244-L275 HydrophobicContact CD1-CB 4.3Å; I244-L275 HydrophobicContact CD1-CD2 4.18Å; I244-L275 HydrophobicContact CD1-CG 4.12Å; L248-L275 HydrophobicContact CD2-CD2 3.55Å; V258-L275 HydrophobicContact CG2-CD1 3.77Å; Y261-L275 HydrophobicContact CD1-CB 3.88Å; Y261-L275 HydrophobicContact CD1-CD2 3.96Å; Y261-L275 HydrophobicContact CD1-CG 4.35Å; Y261-L275 HydrophobicContact CE1-CB 3.81Å; Y261-L275 HydrophobicContact CE1-CD2 3.3Å; Y261-L275 HydrophobicContact CE1-CG 4.09Å; Y261-L275 HydrophobicContact CE2-CD2 4.2Å; Y261-L275 VanDerWaalsContact CZ-CD2 3.43Å; E271-L275 PolarHBondContact O-N 3.43Å; D272-L275 PolarHBondContact O-N 2.9Å; L275-R277 VanDerWaalsContact C-N 3.31Å; L275-R277 PolarHBondContact O-N 3.3Å; L275-R278 WeakPolarHBondContact O-CB 3.28Å; L275-R278 PolarHBondContact O-N 3.04Å; L275-R278 VanDerWaalsContact O-N 3.16Å; L275-L279 HydrophobicContact CD1-CG 4.44Å; L275-L279 HydrophobicContact CG-CD1 4.17Å; L275-L279 HydrophobicContact CG-CG 4.41Å; L275-L279 VanDerWaalsContact O-CG 3.32Å; L275-L279 WeakPolarHBondContact O-CG 3.32Å; L275-L279 PolarHBondContact O-N 3.45Å
276	E	98	Very high	97	Very high	9 Å²	9	44 Å²	44	4%	0.042	22%	0.217	C	C	.	.	H	α-helix	trans	-58.5	-43.3	176	-170.3	-94.3	-168.1	0	0	112.3	S242 I244 D272 D273 D274 R278 L279 K280 Y286	S242-E276 VanDerWaalsContact CB-OE1 3.31Å; S242-E276 WeakPolarHBondContact CB-OE1 3.19Å; I244-E276 HydrophobicContact CD1-CB 3.79Å; I244-E276 HydrophobicContact CD1-CG 4.44Å; I244-E276 HydrophobicContact CG1-CB 4.15Å; D272-E276 PolarHBondContact O-N 3.28Å; D273-E276 PolarHBondContact O-N 3.19Å; D274-E276 VanDerWaalsContact C-N 3.25Å; D274-E276 PolarHBondContact O-N 3.23Å; E276-R278 VanDerWaalsContact C-N 3.34Å; E276-R278 PolarHBondContact O-N 2.78Å; E276-L279 PolarHBondContact O-N 2.94Å; E276-K280 PolarHBondContact O-N 2.93Å; E276-K280 WeakPolarHBondContact OE1-CD 3.25Å; E276-K280 WeakPolarHBondContact OE1-CE 3.5Å; E276-K280 IonicContact OE1-NZ 2.69Å; E276-K280 PolarHBondContact OE1-NZ 3.24Å; E276-K280 IonicContact OE2-NZ 3.24Å; E276-Y286 HydrophobicContact CG-CD1 4.31Å; E276-Y286 HydrophobicContact CG-CE1 3.64Å; E276-Y286 PolarHBondContact OE1-OH 2.96Å; E276-Y286 VanDerWaalsContact OE1-OH 3.05Å
277	R	98.1	Very high	96.9	Very high	110 Å²	110	42.2 Å²	42.2	42%	0.415	21%	0.212	S	C	.	.	H	α-helix	trans	-64.6	-38.1	176.1	-70	168	-177.4	-88.5	-3.7	111.9	D273 D274 L275 A281 L316 A319 V320	D273-R277 WeakPolarHBondContact O-CG 3.3Å; D273-R277 PolarHBondContact O-N 3.28Å; D273-R277 VanDerWaalsContact O-N 3.15Å; D274-R277 WeakPolarHBondContact O-CB 3.5Å; D274-R277 PolarHBondContact O-N 3.49Å; D274-R277 VanDerWaalsContact O-N 3.08Å; L275-R277 VanDerWaalsContact C-N 3.31Å; L275-R277 PolarHBondContact O-N 3.3Å; R277-A281 WeakPolarHBondContact O-CB 3.39Å; R277-A281 PolarHBondContact O-N 3.3Å; R277-L316 WeakPolarHBondContact CD-O 3.39Å; R277-A319 HydrophobicContact CB-CB 4.13Å; R277-V320 HydrophobicContact CB-CG2 4.48Å
278	R	98.2	Very high	97	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.7	-42.5	175.2	-64.6	-179.2	-174	-140.2	-12.1	112.2	V258 N259 G260 Y261 S262 D274 L275 E276 A281 S282 M323 D326	V258-R278 HydrophobicContact CB-CB 4.02Å; V258-R278 HydrophobicContact CG1-CB 4.34Å; N259-R278 PolarHBondContact O-NH1 3.44Å; G260-R278 WeakPolarHBondContact O-CD 3.43Å; G260-R278 PolarHBondContact O-NH1 3.28Å; Y261-R278 PolarHBondContact O-NH1 3.12Å; S262-R278 VanDerWaalsContact CA-NH2 3.25Å; S262-R278 VanDerWaalsContact CB-NH2 3.3Å; D274-R278 WeakPolarHBondContact O-CG 3.4Å; D274-R278 PolarHBondContact O-N 3.5Å; D274-R278 IonicContact OD1-CZ 3.65Å; D274-R278 IonicContact OD1-NE 3.5Å; D274-R278 PolarHBondContact OD1-NE 2.88Å; D274-R278 IonicContact OD1-NH2 2.93Å; D274-R278 PolarHBondContact OD1-NH2 2.85Å; L275-R278 WeakPolarHBondContact O-CB 3.28Å; L275-R278 PolarHBondContact O-N 3.04Å; L275-R278 VanDerWaalsContact O-N 3.16Å; E276-R278 VanDerWaalsContact C-N 3.34Å; E276-R278 PolarHBondContact O-N 2.78Å; R278-A281 PolarHBondContact O-N 2.88Å; R278-S282 WeakPolarHBondContact O-CB 3.42Å; R278-S282 PolarHBondContact O-N 3.45Å; R278-S282 PolarHBondContact O-OG 2.87Å; R278-M323 HydrophobicContact CB-CE 3.77Å; R278-M323 HydrophobicContact CB-SD 4.2Å; R278-M323 HydrophobicContact CG-CB 3.82Å; R278-M323 HydrophobicContact CG-CE 4.08Å; R278-M323 HydrophobicContact CG-SD 4.15Å; R278-D326 VanDerWaalsContact CZ-O 3.24Å; R278-D326 PolarHBondContact NH1-O 2.8Å; R278-D326 PolarHBondContact NH2-O 2.48Å
279	L	97.7	Very high	97.1	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.7	-50.4	176.6	-70.8	168.9	0	0	0	110.5	V224 I244 I250 V258 L275 E276 A281 S282 N283 I284	V224-L279 HydrophobicContact CB-CD1 4.31Å; V224-L279 HydrophobicContact CG1-CD1 4.24Å; V224-L279 HydrophobicContact CG2-CD1 4Å; V224-L279 HydrophobicContact CG2-CD2 3.58Å; V224-L279 HydrophobicContact CG2-CG 4.46Å; I244-L279 HydrophobicContact CD1-CD1 3.81Å; I250-L279 HydrophobicContact CD1-CD2 4.08Å; V258-L279 HydrophobicContact CG1-CD2 3.77Å; V258-L279 HydrophobicContact CG1-CG 4.36Å; L275-L279 HydrophobicContact CD1-CG 4.44Å; L275-L279 HydrophobicContact CG-CD1 4.17Å; L275-L279 HydrophobicContact CG-CG 4.41Å; L275-L279 VanDerWaalsContact O-CG 3.32Å; L275-L279 WeakPolarHBondContact O-CG 3.32Å; L275-L279 PolarHBondContact O-N 3.45Å; E276-L279 PolarHBondContact O-N 2.94Å; L279-A281 PolarHBondContact O-N 3.24Å; L279-S282 CarbonylContact O-C 3.47Å; L279-S282 PolarHBondContact O-N 2.87Å; L279-S282 VanDerWaalsContact O-N 3.08Å; L279-N283 PolarHBondContact O-N 2.92Å; L279-I284 CarbonylContact C-O 3.57Å; L279-I284 HydrophobicContact CB-CB 4.44Å; L279-I284 HydrophobicContact CD2-CB 3.89Å; L279-I284 HydrophobicContact CD2-CD1 4.09Å; L279-I284 HydrophobicContact CD2-CG2 3.68Å; L279-I284 PolarHBondContact O-N 2.64Å
280	K	97.1	Very high	97.1	Very high	115 Å²	115	44.9 Å²	44.9	50%	0.5	22%	0.224	S	C	.	.	H	α-helix	trans	-57.4	-46.6	175.2	-80	-179.6	166.8	163.6	0	112.7	E276 S282 N283	E276-K280 PolarHBondContact O-N 2.93Å; E276-K280 WeakPolarHBondContact OE1-CD 3.25Å; E276-K280 WeakPolarHBondContact OE1-CE 3.5Å; E276-K280 IonicContact OE1-NZ 2.69Å; E276-K280 PolarHBondContact OE1-NZ 3.24Å; E276-K280 IonicContact OE2-NZ 3.24Å; K280-S282 PolarHBondContact O-N 3.25Å; K280-N283 PolarHBondContact O-N 2.99Å; K280-N283 VanDerWaalsContact O-N 3.13Å
281	A	97.1	Very high	97	Very high	46 Å²	46	49.6 Å²	49.6	38%	0.38	24%	0.244	S	C	.	.	H	α-helix	trans	-64.1	-24.7	178.6	0	0	0	0	0	113.3	R277 R278 L279 V320 M323	R277-A281 WeakPolarHBondContact O-CB 3.39Å; R277-A281 PolarHBondContact O-N 3.3Å; R278-A281 PolarHBondContact O-N 2.88Å; L279-A281 PolarHBondContact O-N 3.24Å; A281-V320 HydrophobicContact CB-CB 4.32Å; A281-V320 HydrophobicContact CB-CG1 3.63Å; A281-V320 HydrophobicContact CB-CG2 3.8Å; A281-M323 HydrophobicContact CB-SD 4.29Å
282	S	96.3	Very high	96.8	Very high	9 Å²	9	52.2 Å²	52.2	6%	0.063	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	6.5	178.2	-53.4	0	0	0	0	113.4	R278 L279 K280 I284 M323	R278-S282 WeakPolarHBondContact O-CB 3.42Å; R278-S282 PolarHBondContact O-N 3.45Å; R278-S282 PolarHBondContact O-OG 2.87Å; L279-S282 CarbonylContact O-C 3.47Å; L279-S282 PolarHBondContact O-N 2.87Å; L279-S282 VanDerWaalsContact O-N 3.08Å; K280-S282 PolarHBondContact O-N 3.25Å; S282-I284 PolarHBondContact O-N 2.82Å; S282-M323 WeakPolarHBondContact OG-CE 2.94Å
283	N	96	Very high	96.7	Very high	140 Å²	140	53 Å²	53	75%	0.749	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	29.7	-173.6	-57.1	-56.5	0	0	0	113.7	L279 K280	L279-N283 PolarHBondContact O-N 2.92Å; K280-N283 PolarHBondContact O-N 2.99Å; K280-N283 VanDerWaalsContact O-N 3.13Å
284	I	96.1	Very high	96.7	Very high	15 Å²	15	51.2 Å²	51.2	8%	0.077	26%	0.258	C	S	.	.			trans	-92.6	122.6	173.9	-61.9	164.2	0	0	0	108	V224 Q254 Q257 V258 L279 S282	V224-I284 HydrophobicContact CG2-CG2 3.81Å; Q254-I284 HydrophobicContact CB-CD1 4.09Å; Q254-I284 HydrophobicContact CG-CD1 4.18Å; Q254-I284 HydrophobicContact CG-CG1 4.48Å; Q254-I284 HydrophobicContact CG-CG2 4.08Å; Q257-I284 HydrophobicContact CB-CD1 4.27Å; Q257-I284 HydrophobicContact CG-CD1 4.18Å; V258-I284 HydrophobicContact CG1-CD1 3.61Å; L279-I284 CarbonylContact C-O 3.57Å; L279-I284 HydrophobicContact CB-CB 4.44Å; L279-I284 HydrophobicContact CD2-CB 3.89Å; L279-I284 HydrophobicContact CD2-CD1 4.09Å; L279-I284 HydrophobicContact CD2-CG2 3.68Å; L279-I284 PolarHBondContact O-N 2.64Å; S282-I284 PolarHBondContact O-N 2.82Å
285	V	95.8	Very high	96.6	Very high	99 Å²	99	55 Å²	55	60%	0.6	27%	0.272	S	S	*	.			trans	-78.6	142.5	177.1	-179.8	0	0	0	0	109.5	S223 V224	S223-V285 WeakPolarHBondContact CA-O 3.25Å; S223-V285 WeakPolarHBondContact CB-O 3.37Å; V224-V285 PolarHBondContact N-O 2.66Å
286	Y	96	Very high	96.5	Very high	41 Å²	41	55 Å²	55	16%	0.161	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	152.4	166.6	68.8	-89.2	0	0	0	110.2	V224 I244 E276	V224-Y286 CarbonylContact O-C 3.51Å; V224-Y286 WeakPolarHBondContact O-CA 2.73Å; I244-Y286 HydrophobicContact CG2-CD2 3.54Å; I244-Y286 HydrophobicContact CG2-CE2 3.85Å; I244-Y286 HydrophobicContact CG2-CG 4.07Å; E276-Y286 HydrophobicContact CG-CD1 4.31Å; E276-Y286 HydrophobicContact CG-CE1 3.64Å; E276-Y286 PolarHBondContact OE1-OH 2.96Å; E276-Y286 VanDerWaalsContact OE1-OH 3.05Å
287	K	95.7	Very high	96.4	Very high	73 Å²	73	55.7 Å²	55.7	32%	0.317	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	157.9	174.6	70.2	174.6	111.8	-168.9	0	112.4	E219 S223 V224 V225 H226	E219-K287 VanDerWaalsContact CD-CE 3.44Å; E219-K287 VanDerWaalsContact CD-NZ 3.27Å; E219-K287 HydrophobicContact CG-CD 4.31Å; E219-K287 WeakPolarHBondContact OE1-CD 3.42Å; E219-K287 WeakPolarHBondContact OE1-CE 3.34Å; E219-K287 IonicContact OE1-NZ 2.68Å; E219-K287 PolarHBondContact OE1-NZ 3.27Å; S223-K287 WeakPolarHBondContact OG-CE 3.48Å; V224-K287 PolarHBondContact O-N 2.88Å; V225-K287 HydrophobicContact CG1-CG 4.5Å; V225-K287 HydrophobicContact CG2-CG 4.43Å; H226-K287 PolarHBondContact N-O 2.93Å
288	H	97.2	Very high	96.2	Very high	53 Å²	53	51.5 Å²	51.5	25%	0.245	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	132.1	169.6	-60.1	-44.7	0	0	0	108.1	H226 V229 K241 L243	H226-H288 WeakPolarHBondContact CB-ND1 3.45Å; H226-H288 AromaticContact CG-ND1 3.55Å; H226-H288 AromaticContact ND1-CE1 3.42Å; H226-H288 PolarHBondContact ND1-CE1 2.86Å; H226-H288 AromaticContact ND1-ND1 2.9Å; H226-H288 PolarHBondContact ND1-ND1 2.85Å; V229-H288 HydrophobicContact CG1-CB 4.21Å; V229-H288 HydrophobicContact CG2-CB 3.71Å; K241-H288 PolarHBondContact O-NE2 2.77Å; L243-H288 PolarHBondContact O-CE1 3.16Å
289	I	96.3	Very high	96	Very high	19 Å²	19	51.9 Å²	51.9	10%	0.097	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-66.8	169.4	170.5	65.7	173.1	0	0	0	111.2	I212 P213 V225 H226 L227 V229 K291 I293 G294	I212-I289 HydrophobicContact CB-CD1 4.45Å; I212-I289 HydrophobicContact CG1-CD1 4.27Å; I212-I289 HydrophobicContact CG2-CD1 3.96Å; P213-I289 HydrophobicContact CG-CG2 4.33Å; V225-I289 HydrophobicContact CG1-CG2 3.36Å; H226-I289 PolarHBondContact O-N 3.13Å; L227-I289 HydrophobicContact CB-CD1 4.5Å; L227-I289 HydrophobicContact CD2-CD1 4.15Å; L227-I289 HydrophobicContact CD2-CG2 4.13Å; L227-I289 WeakPolarHBondContact O-CD1 3.27Å; V229-I289 HydrophobicContact CG2-CG1 3.86Å; V229-I289 WeakPolarHBondContact CG2-O 3.31Å; I289-K291 PolarHBondContact O-N 3.05Å; I289-I293 HydrophobicContact CD1-CG2 4.46Å; I289-G294 VanDerWaalsContact CD1-CA 3.43Å
290	E	96	Very high	95.7	Very high	135 Å²	135	56.1 Å²	56.1	63%	0.631	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-54.2	126.2	178.2	-72.9	-61.6	157.1	0	0	111.9	S292 I293 G294	E290-S292 PolarHBondContact O-N 3.43Å; E290-S292 VanDerWaalsContact O-N 3.09Å; E290-I293 HydrophobicContact CB-CB 4.41Å; E290-I293 HydrophobicContact CB-CD1 4.18Å; E290-I293 HydrophobicContact CB-CG1 4.28Å; E290-I293 WeakPolarHBondContact O-CA 3.42Å; E290-I293 PolarHBondContact O-N 3.16Å; E290-G294 PolarHBondContact O-N 2.84Å
291	K	93.7	Very high	95.4	Very high	105 Å²	105	54 Å²	54	46%	0.457	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.5	-175.9	-173.4	-175.7	-179.7	-173.4	0	112.9	V229 Y236 I289 I293 R295	V229-K291 HydrophobicContact CG1-CB 4.36Å; V229-K291 HydrophobicContact CG1-CG 4.49Å; Y236-K291 WeakPolarHBondContact O-CE 3.23Å; Y236-K291 PolarHBondContact O-NZ 3.29Å; I289-K291 PolarHBondContact O-N 3.05Å; K291-I293 VanDerWaalsContact C-N 3.3Å; K291-R295 WeakPolarHBondContact O-CG 3.24Å
292	S	93.8	Very high	95.1	Very high	70 Å²	70	59 Å²	59	49%	0.49	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-20.8	176.4	54.6	0	0	0	0	114	E290	E290-S292 PolarHBondContact O-N 3.43Å; E290-S292 VanDerWaalsContact O-N 3.09Å
293	I	96.5	Very high	94.8	Very high	37 Å²	37	69.3 Å²	69.3	19%	0.19	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-48.8	-179.6	-62.8	176	0	0	0	110.2	D209 R211 I212 I289 E290 K291 R295	D209-I293 WeakPolarHBondContact CB-O 3.11Å; R211-I293 HydrophobicContact CB-CD1 4.43Å; R211-I293 HydrophobicContact CB-CG2 3.86Å; I212-I293 HydrophobicContact CG1-CG2 3.87Å; I212-I293 VanDerWaalsContact CG1-O 3.29Å; I212-I293 WeakPolarHBondContact CG1-O 3.26Å; I289-I293 HydrophobicContact CD1-CG2 4.46Å; E290-I293 HydrophobicContact CB-CB 4.41Å; E290-I293 HydrophobicContact CB-CD1 4.18Å; E290-I293 HydrophobicContact CB-CG1 4.28Å; E290-I293 WeakPolarHBondContact O-CA 3.42Å; E290-I293 PolarHBondContact O-N 3.16Å; K291-I293 VanDerWaalsContact C-N 3.3Å; I293-R295 PolarHBondContact O-N 3.47Å
294	G	97	Very high	94.5	Very high	0 Å²	0	65 Å²	65	0%	0	32%	0.319	C	S	.	.	S	Bend	trans	-72.5	47.4	-176.5	0	0	0	0	0	115.2	L227 V229 G230 I289 E290	L227-G294 VanDerWaalsContact O-CA 3.25Å; L227-G294 WeakPolarHBondContact O-CA 3.44Å; V229-G294 PolarHBondContact N-O 3.47Å; V229-G294 VanDerWaalsContact N-O 3.16Å; G230-G294 PolarHBondContact N-O 3.28Å; I289-G294 VanDerWaalsContact CD1-CA 3.43Å; E290-G294 PolarHBondContact O-N 2.84Å
295	R	96.5	Very high	94.4	Very high	80 Å²	80	68.9 Å²	68.9	30%	0.302	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	128.1	-178.6	-64.3	-174.1	70.9	-172.3	3.7	110.6	L208 G230 Y236 K291 I293	L208-R295 HydrophobicContact CB-CB 4.27Å; L208-R295 WeakPolarHBondContact CB-O 3.44Å; L208-R295 HydrophobicContact CD1-CB 4.32Å; L208-R295 PolarHBondContact N-O 3.02Å; G230-R295 CarbonylContact O-C 3.34Å; G230-R295 VanDerWaalsContact O-CA 3.25Å; G230-R295 WeakPolarHBondContact O-CA 3.25Å; Y236-R295 HydrophobicContact CD1-CB 4.04Å; Y236-R295 HydrophobicContact CD1-CG 4.02Å; Y236-R295 HydrophobicContact CE1-CB 4.1Å; Y236-R295 VanDerWaalsContact CZ-NH2 3.25Å; K291-R295 WeakPolarHBondContact O-CG 3.24Å; I293-R295 PolarHBondContact O-N 3.47Å
296	Y	97.1	Very high	94.4	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.2	175	-74.8	-103.9	0	0	0	110.8	H201 L205 I206 P207 I212 H214 L227 G230 V231 S232 Y236 V247	H201-Y296 AromaticContact NE2-CE1 3.61Å; L205-Y296 HydrophobicContact CB-CD1 3.71Å; L205-Y296 HydrophobicContact CB-CE1 4.48Å; L205-Y296 HydrophobicContact CB-CG 4.29Å; I206-Y296 VanDerWaalsContact C-CD1 3.45Å; I206-Y296 CarbonylContact O-C 3.46Å; I206-Y296 WeakPolarHBondContact O-CA 3.5Å; I206-Y296 WeakPolarHBondContact O-CD1 3.34Å; P207-Y296 HydrophobicContact CB-CD1 4.23Å; P207-Y296 HydrophobicContact CB-CE1 3.75Å; P207-Y296 HydrophobicContact CG-CE1 4.41Å; I212-Y296 HydrophobicContact CD1-CD2 4.29Å; I212-Y296 HydrophobicContact CD1-CE2 3.66Å; I212-Y296 HydrophobicContact CG2-CE2 4.44Å; H214-Y296 PolarHBondContact NE2-OH 3.38Å; L227-Y296 HydrophobicContact CB-CE2 4.37Å; L227-Y296 WeakPolarHBondContact O-CE2 3.26Å; G230-Y296 PolarHBondContact O-N 3.37Å; V231-Y296 WeakPolarHBondContact CA-O 3.49Å; S232-Y296 PolarHBondContact N-O 3.41Å; Y236-Y296 WeakPolarHBondContact CE1-O 3.06Å; V247-Y296 HydrophobicContact CB-CE1 4.5Å; V247-Y296 HydrophobicContact CG2-CD1 4.26Å; V247-Y296 HydrophobicContact CG2-CE1 3.74Å
297	L	95.6	Very high	94.3	Very high	22 Å²	22	71.4 Å²	71.4	12%	0.115	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	117.9	168.3	175.3	68.8	0	0	0	109.3	F91 F95 L205 I206 L208	F91-L297 HydrophobicContact CD1-CD2 3.65Å; F91-L297 HydrophobicContact CD2-CD2 4.19Å; F91-L297 HydrophobicContact CE1-CD2 3.05Å; F91-L297 HydrophobicContact CE1-CG 4.49Å; F91-L297 HydrophobicContact CE2-CD2 3.68Å; F91-L297 HydrophobicContact CG-CD2 4.19Å; F91-L297 HydrophobicContact CZ-CD2 3.09Å; F95-L297 HydrophobicContact CE1-CD2 4.27Å; F95-L297 HydrophobicContact CE2-CD2 3.94Å; F95-L297 HydrophobicContact CE2-CG 4.44Å; F95-L297 HydrophobicContact CZ-CD2 3.35Å; F95-L297 HydrophobicContact CZ-CG 3.89Å; L205-L297 WeakPolarHBondContact CA-O 3.35Å; I206-L297 HydrophobicContact CB-CB 4.28Å; I206-L297 HydrophobicContact CD1-CD2 4.47Å; I206-L297 PolarHBondContact N-O 3.45Å; I206-L297 PolarHBondContact O-N 3.16Å; L208-L297 HydrophobicContact CD1-CB 4.14Å; L208-L297 HydrophobicContact CD2-CB 3.89Å; L208-L297 HydrophobicContact CG-CB 4.19Å
298	A	95	Very high	94.4	Very high	23 Å²	23	72.8 Å²	72.8	19%	0.19	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	120	168	0	0	0	0	0	109.9	L205 V231 S232	L205-A298 HydrophobicContact CD2-CB 3.94Å; V231-A298 HydrophobicContact CG1-CB 3.61Å; S232-A298 PolarHBondContact OG-N 3.47Å
299	Q	93.2	Very high	94.3	Very high	7 Å²	7	79.5 Å²	79.5	3%	0.033	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-77.4	144.5	178.1	-59.4	-175.7	70.3	0	0	110.8	F95 Q144 N147 T148 D204 I206 H301	F95-Q299 HydrophobicContact CE1-CB 4.3Å; F95-Q299 HydrophobicContact CE1-CG 3.58Å; F95-Q299 HydrophobicContact CZ-CB 4.28Å; F95-Q299 HydrophobicContact CZ-CG 3.73Å; Q144-Q299 HydrophobicContact CB-CB 4.42Å; Q144-Q299 HydrophobicContact CG-CB 3.77Å; Q144-Q299 PolarHBondContact O-NE2 2.97Å; N147-Q299 PolarHBondContact ND2-OE1 2.97Å; T148-Q299 PolarHBondContact OG1-NE2 3.29Å; D204-Q299 HydrophobicContact CB-CB 4.39Å; D204-Q299 WeakPolarHBondContact O-CG 3.43Å; D204-Q299 PolarHBondContact O-N 3.47Å; I206-Q299 HydrophobicContact CD1-CG 3.69Å; I206-Q299 HydrophobicContact CG1-CG 4.1Å; Q299-H301 PolarHBondContact O-CD2 3.22Å; Q299-H301 PolarHBondContact O-N 3.11Å
300	P	91.8	Very high	94.3	Very high	89 Å²	89	88.8 Å²	88.8	58%	0.578	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-64.7	136.5	174.9	27.4	-33.6	0	0	0	111	Q144	Q144-P300 PolarHBondContact NE2-O 2.87Å
301	H	90.9	Very high	94.3	Very high	70 Å²	70	85.4 Å²	85.4	32%	0.324	41%	0.406	S	S	.	.			trans	-160	164.7	175.3	64	68	0	0	0	109.7	R141 D204 Q299	R141-H301 PolarHBondContact NH2-CE1 3.3Å; R141-H301 PolarHBondContact NH2-ND1 2.79Å; R141-H301 VanDerWaalsContact NH2-ND1 3.16Å; R141-H301 PolarHBondContact NH2-NE2 3.35Å; D204-H301 IonicContact OD2-CD2 2.69Å; D204-H301 PolarHBondContact OD2-CD2 3.34Å; D204-H301 IonicContact OD2-CE1 3.98Å; D204-H301 IonicContact OD2-NE2 3.31Å; D204-H301 PolarHBondContact OD2-NE2 3.46Å; Q299-H301 PolarHBondContact O-CD2 3.22Å; Q299-H301 PolarHBondContact O-N 3.11Å
302	D	91.2	Very high	94.5	Very high	152 Å²	152	81.5 Å²	81.5	81%	0.813	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-64	141.1	173.3	-71.5	-33.8	0	0	0	111.8	Q304	D302-Q304 PolarHBondContact O-N 2.86Å
303	R	90.1	Very high	94.6	Very high	225 Å²	225	82.4 Å²	82.4	85%	0.849	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-67.4	132.5	-179.6	-69.3	-177.5	177.5	174.6	0.8	110.1
304	Q	89.8	Confident	94.7	Very high	49 Å²	49	84.9 Å²	84.9	23%	0.229	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-65.1	150.6	171.7	-69.6	-179.8	-8.9	0	0	111	W268 D302 R306	W268-Q304 HydrophobicContact CB-CB 4.08Å; D302-Q304 PolarHBondContact O-N 2.86Å; Q304-R306 PolarHBondContact O-N 2.74Å
305	V	94	Very high	94.7	Very high	98 Å²	98	86 Å²	86	59%	0.594	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-58.7	123.5	171.3	179.1	0	0	0	0	108.9	G267 W268	G267-V305 CarbonylContact C-O 3.58Å; G267-V305 WeakPolarHBondContact CA-O 3.42Å; W268-V305 PolarHBondContact N-O 3.45Å
306	R	95.3	Very high	94.8	Very high	177 Å²	177	83.2 Å²	83.2	67%	0.668	40%	0.4	S	S	*	.	B	Isolated β-bridge	trans	-70.5	142.3	177.3	-70.2	-174.2	170	175	-3.3	110.8	W268 Q304	W268-R306 HydrophobicContact CE3-CG 4.13Å; Q304-R306 PolarHBondContact O-N 2.74Å
307	G	94.3	Very high	94.8	Very high	16 Å²	16	90.8 Å²	90.8	17%	0.165	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-61.3	153.9	169.5	0	0	0	0	0	111.8	W266 W268 R309	W266-G307 WeakPolarHBondContact O-CA 3.35Å; W268-G307 PolarHBondContact O-N 3Å; G307-R309 PolarHBondContact O-N 3.39Å
308	N	96.1	Very high	94.9	Very high	101 Å²	101	92.6 Å²	92.6	54%	0.54	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-63.3	119.9	174.2	-178.4	-63.6	0	0	0	109.7	R310 S311 V312	N308-R310 VanDerWaalsContact C-N 3.29Å; N308-R310 PolarHBondContact O-N 3.27Å; N308-R310 WeakPolarHBondContact OD1-CB 3.43Å; N308-R310 PolarHBondContact OD1-N 2.9Å; N308-S311 PolarHBondContact O-N 3.46Å; N308-S311 VanDerWaalsContact O-N 3.13Å; N308-S311 PolarHBondContact OD1-N 3.43Å; N308-V312 WeakPolarHBondContact O-CG2 3.32Å; N308-V312 PolarHBondContact O-N 2.96Å
309	R	95.9	Very high	95	Very high	195 Å²	195	91.5 Å²	91.5	74%	0.736	44%	0.436	S	S	*	.	H	α-helix	trans	-54.3	-40.9	-176	-177	-179.4	173.4	105.7	-0.6	113.3	G307 L313	G307-R309 PolarHBondContact O-N 3.39Å; R309-L313 HydrophobicContact CG-CD1 3.98Å; R309-L313 HydrophobicContact CG-CG 4.41Å; R309-L313 WeakPolarHBondContact O-CB 3.49Å; R309-L313 VanDerWaalsContact O-CG 3.22Å; R309-L313 WeakPolarHBondContact O-CG 3.37Å; R309-L313 PolarHBondContact O-N 3.38Å
310	R	96.4	Very high	95.2	Very high	213 Å²	213	94.8 Å²	94.8	80%	0.804	46%	0.457	S	S	*	.	H	α-helix	trans	-66.7	-45.9	-179.7	-66.8	-175.8	-173.8	170	2	110.6	N308 L313 D314	N308-R310 VanDerWaalsContact C-N 3.29Å; N308-R310 PolarHBondContact O-N 3.27Å; N308-R310 WeakPolarHBondContact OD1-CB 3.43Å; N308-R310 PolarHBondContact OD1-N 2.9Å; R310-L313 PolarHBondContact O-N 2.89Å; R310-D314 WeakPolarHBondContact O-CB 3.33Å; R310-D314 PolarHBondContact O-N 3.27Å
311	S	96	Very high	95.4	Very high	64 Å²	64	93.7 Å²	93.7	45%	0.448	45%	0.451	S	S	.	.	H	α-helix	trans	-61.3	-44.5	176	-55.9	0	0	0	0	112	N308 L313 D314 L315	N308-S311 PolarHBondContact O-N 3.46Å; N308-S311 VanDerWaalsContact O-N 3.13Å; N308-S311 PolarHBondContact OD1-N 3.43Å; S311-L313 VanDerWaalsContact C-N 3.34Å; S311-L313 PolarHBondContact O-N 3.47Å; S311-D314 PolarHBondContact O-N 3.34Å; S311-L315 WeakPolarHBondContact O-CB 3.35Å; S311-L315 WeakPolarHBondContact O-CG 3.21Å; S311-L315 PolarHBondContact O-N 3.37Å
312	V	97.3	Very high	95.8	Very high	24 Å²	24	92.1 Å²	92.1	15%	0.145	44%	0.443	C	S	.	.	H	α-helix	trans	-60.9	-43.8	177.9	169.2	0	0	0	0	111.2	Y265 N308 L315 L316	Y265-V312 HydrophobicContact CE1-CG1 4.28Å; N308-V312 WeakPolarHBondContact O-CG2 3.32Å; N308-V312 PolarHBondContact O-N 2.96Å; V312-L315 PolarHBondContact O-N 3.1Å; V312-L316 HydrophobicContact CG1-CD1 3.96Å; V312-L316 WeakPolarHBondContact O-CB 3.24Å; V312-L316 VanDerWaalsContact O-CG 3.27Å; V312-L316 WeakPolarHBondContact O-CG 3.26Å; V312-L316 PolarHBondContact O-N 2.81Å
313	L	97.3	Very high	96	Very high	88 Å²	88	85.1 Å²	85.1	46%	0.461	41%	0.405	S	S	.	.	H	α-helix	trans	-65.2	-43.9	178.3	-70.8	172.5	0	0	0	112.2	R309 R310 S311 L316 E317	R309-L313 HydrophobicContact CG-CD1 3.98Å; R309-L313 HydrophobicContact CG-CG 4.41Å; R309-L313 WeakPolarHBondContact O-CB 3.49Å; R309-L313 VanDerWaalsContact O-CG 3.22Å; R309-L313 WeakPolarHBondContact O-CG 3.37Å; R309-L313 PolarHBondContact O-N 3.38Å; R310-L313 PolarHBondContact O-N 2.89Å; S311-L313 VanDerWaalsContact C-N 3.34Å; S311-L313 PolarHBondContact O-N 3.47Å; L313-L316 PolarHBondContact O-N 3.16Å; L313-E317 WeakPolarHBondContact O-CB 3.27Å; L313-E317 PolarHBondContact O-N 3.17Å
314	D	97.6	Very high	96.2	Very high	90 Å²	90	76.5 Å²	76.5	48%	0.481	38%	0.376	S	S	.	.	H	α-helix	trans	-62.6	-42.4	176.1	177.6	67	0	0	0	112.1	R310 S311 L316 E317 N318	R310-D314 WeakPolarHBondContact O-CB 3.33Å; R310-D314 PolarHBondContact O-N 3.27Å; S311-D314 PolarHBondContact O-N 3.34Å; D314-L316 PolarHBondContact O-N 2.96Å; D314-E317 PolarHBondContact O-N 2.59Å; D314-N318 PolarHBondContact O-N 2.8Å; D314-N318 VanDerWaalsContact O-N 3.14Å; D314-N318 PolarHBondContact O-ND2 2.87Å; D314-N318 PolarHBondContact OD1-ND2 3.23Å
315	L	98.1	Very high	96.6	Very high	24 Å²	24	79 Å²	79	13%	0.126	39%	0.394	C	S	.	.	H	α-helix	trans	-60.6	-45.2	174.3	-72.1	173.5	0	0	0	111.1	S264 Y265 S311 V312 N318 A319 R322	S264-L315 WeakPolarHBondContact O-CD1 3.34Å; Y265-L315 HydrophobicContact CD1-CD1 4.1Å; Y265-L315 HydrophobicContact CD2-CD1 4.41Å; Y265-L315 HydrophobicContact CE1-CB 4.02Å; Y265-L315 HydrophobicContact CE1-CD1 4Å; Y265-L315 HydrophobicContact CE2-CB 4.25Å; Y265-L315 HydrophobicContact CE2-CD1 4.31Å; Y265-L315 HydrophobicContact CG-CD1 4.29Å; Y265-L315 WeakPolarHBondContact OH-CB 3.3Å; S311-L315 WeakPolarHBondContact O-CB 3.35Å; S311-L315 WeakPolarHBondContact O-CG 3.21Å; S311-L315 PolarHBondContact O-N 3.37Å; V312-L315 PolarHBondContact O-N 3.1Å; L315-N318 CarbonylContact O-C 3.55Å; L315-N318 PolarHBondContact O-N 3.4Å; L315-A319 WeakPolarHBondContact O-CA 3.42Å; L315-A319 PolarHBondContact O-N 3.11Å; L315-R322 PolarHBondContact O-NE 2.88Å; L315-R322 PolarHBondContact O-NH2 2.95Å
316	L	97.8	Very high	96.7	Very high	20 Å²	20	75 Å²	75	11%	0.105	37%	0.369	C	S	.	.	H	α-helix	trans	-66.3	-39.3	180	-76.7	171.8	0	0	0	113.1	Y265 G270 D273 D274 R277 V312 L313 D314 N318 A319	Y265-L316 WeakPolarHBondContact OH-CD2 3.48Å; Y265-L316 PolarHBondContact OH-N 3.06Å; G270-L316 WeakPolarHBondContact O-CD2 3.14Å; D273-L316 HydrophobicContact CB-CD2 3.57Å; D274-L316 HydrophobicContact CB-CD2 4.24Å; R277-L316 WeakPolarHBondContact CD-O 3.39Å; V312-L316 HydrophobicContact CG1-CD1 3.96Å; V312-L316 WeakPolarHBondContact O-CB 3.24Å; V312-L316 VanDerWaalsContact O-CG 3.27Å; V312-L316 WeakPolarHBondContact O-CG 3.26Å; V312-L316 PolarHBondContact O-N 2.81Å; L313-L316 PolarHBondContact O-N 3.16Å; D314-L316 PolarHBondContact O-N 2.96Å; L316-N318 PolarHBondContact O-N 3.41Å; L316-A319 WeakPolarHBondContact O-CB 3.33Å; L316-A319 PolarHBondContact O-N 2.94Å
317	E	97.4	Very high	96.9	Very high	159 Å²	159	66.5 Å²	66.5	74%	0.743	34%	0.337	S	S	*	.	H	α-helix	trans	-60.3	-39.7	175.4	-175.4	171.6	-177.9	0	0	110.9	L313 D314	L313-E317 WeakPolarHBondContact O-CB 3.27Å; L313-E317 PolarHBondContact O-N 3.17Å; D314-E317 PolarHBondContact O-N 2.59Å
318	N	97.4	Very high	97.1	Very high	60 Å²	60	66 Å²	66	32%	0.321	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	4	-176.4	-66.2	-68.1	0	0	0	114.7	D314 L315 L316 V320 S321 R322	D314-N318 PolarHBondContact O-N 2.8Å; D314-N318 VanDerWaalsContact O-N 3.14Å; D314-N318 PolarHBondContact O-ND2 2.87Å; D314-N318 PolarHBondContact OD1-ND2 3.23Å; L315-N318 CarbonylContact O-C 3.55Å; L315-N318 PolarHBondContact O-N 3.4Å; L316-N318 PolarHBondContact O-N 3.41Å; N318-V320 VanDerWaalsContact C-N 3.34Å; N318-V320 PolarHBondContact O-N 2.92Å; N318-S321 PolarHBondContact O-N 3.41Å; N318-S321 PolarHBondContact O-OG 2.92Å; N318-R322 HydrophobicContact CB-CG 4.18Å; N318-R322 WeakPolarHBondContact O-CG 3.39Å; N318-R322 PolarHBondContact O-N 2.92Å
319	A	97.9	Very high	97.1	Very high	0 Å²	0	64 Å²	64	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-49	-49.5	-171.9	0	0	0	0	0	113.5	D274 R277 L315 L316 S321 R322 M323	D274-A319 HydrophobicContact CB-CB 4.46Å; D274-A319 VanDerWaalsContact OD2-CB 3.29Å; D274-A319 WeakPolarHBondContact OD2-CB 3.46Å; R277-A319 HydrophobicContact CB-CB 4.13Å; L315-A319 WeakPolarHBondContact O-CA 3.42Å; L315-A319 PolarHBondContact O-N 3.11Å; L316-A319 WeakPolarHBondContact O-CB 3.33Å; L316-A319 PolarHBondContact O-N 2.94Å; A319-S321 VanDerWaalsContact C-N 3.34Å; A319-S321 PolarHBondContact O-N 3.46Å; A319-R322 PolarHBondContact O-N 3.24Å; A319-M323 PolarHBondContact O-N 2.97Å
320	V	96.8	Very high	97.2	Very high	77 Å²	77	56.8 Å²	56.8	47%	0.467	30%	0.3	S	S	.	.	H	α-helix	trans	-66.8	-33.7	-178.8	-179.9	0	0	0	0	112.5	R277 A281 N318 M323	R277-V320 HydrophobicContact CB-CG2 4.48Å; A281-V320 HydrophobicContact CB-CB 4.32Å; A281-V320 HydrophobicContact CB-CG1 3.63Å; A281-V320 HydrophobicContact CB-CG2 3.8Å; N318-V320 VanDerWaalsContact C-N 3.34Å; N318-V320 PolarHBondContact O-N 2.92Å; V320-M323 WeakPolarHBondContact O-CG 3.43Å
321	S	96.8	Very high	97.2	Very high	66 Å²	66	47.6 Å²	47.6	46%	0.462	27%	0.267	S	S	.	.	H	α-helix	trans	-74.4	-39.5	176.8	72.4	0	0	0	0	111.5	N318 A319	N318-S321 PolarHBondContact O-N 3.41Å; N318-S321 PolarHBondContact O-OG 2.92Å; A319-S321 VanDerWaalsContact C-N 3.34Å; A319-S321 PolarHBondContact O-N 3.46Å
322	R	97.7	Very high	97.3	Very high	37 Å²	37	50.8 Å²	50.8	14%	0.14	27%	0.273	C	S	.	.	H	α-helix	trans	-74.6	-26.6	-178.3	-68.8	-170.8	-58.5	98.2	5.2	113.1	S262 D274 L315 N318 A319 L324 T325 D326	S262-R322 PolarHBondContact OG-NH1 3.36Å; D274-R322 IonicContact OD2-CZ 3.21Å; D274-R322 IonicContact OD2-NH2 3.78Å; D274-R322 PolarHBondContact OD2-NH2 3.12Å; L315-R322 PolarHBondContact O-NE 2.88Å; L315-R322 PolarHBondContact O-NH2 2.95Å; N318-R322 HydrophobicContact CB-CG 4.18Å; N318-R322 WeakPolarHBondContact O-CG 3.39Å; N318-R322 PolarHBondContact O-N 2.92Å; A319-R322 PolarHBondContact O-N 3.24Å; R322-L324 PolarHBondContact O-N 2.98Å; R322-T325 CarbonylContact O-C 3.54Å; R322-T325 PolarHBondContact O-N 2.66Å; R322-T325 PolarHBondContact O-OG1 3.47Å; R322-D326 HydrophobicContact CB-CB 4.26Å; R322-D326 IonicContact CZ-OD2 2.64Å; R322-D326 IonicContact NH1-OD2 3.9Å; R322-D326 PolarHBondContact NH1-OD2 3.45Å; R322-D326 WeakPolarHBondContact O-CB 3.46Å; R322-D326 PolarHBondContact O-N 2.77Å
323	M	96.9	Very high	97.3	Very high	5 Å²	5	51.6 Å²	51.6	3%	0.025	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-21.3	-174.8	78.4	-176	-73.1	0	0	114.1	L43 V258 N259 R278 A281 S282 A319 V320	L43-M323 HydrophobicContact CD1-CE 3.97Å; L43-M323 HydrophobicContact CD1-CG 4.43Å; L43-M323 HydrophobicContact CD1-SD 4.45Å; V258-M323 HydrophobicContact CB-CE 4.21Å; N259-M323 VanDerWaalsContact CB-O 3.32Å; N259-M323 WeakPolarHBondContact CB-O 3.49Å; N259-M323 PolarHBondContact ND2-O 3.14Å; R278-M323 HydrophobicContact CB-CE 3.77Å; R278-M323 HydrophobicContact CB-SD 4.2Å; R278-M323 HydrophobicContact CG-CB 3.82Å; R278-M323 HydrophobicContact CG-CE 4.08Å; R278-M323 HydrophobicContact CG-SD 4.15Å; A281-M323 HydrophobicContact CB-SD 4.29Å; S282-M323 WeakPolarHBondContact OG-CE 2.94Å; A319-M323 PolarHBondContact O-N 2.97Å; V320-M323 WeakPolarHBondContact O-CG 3.43Å
324	L	94.1	Very high	97.3	Very high	44 Å²	44	53.3 Å²	53.3	23%	0.23	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-26.6	174.7	-66.4	174.9	0	0	0	113.5	K39 L43 R322 N329	K39-L324 HydrophobicContact CG-CD1 4.44Å; L43-L324 HydrophobicContact CB-CD2 4.16Å; L43-L324 HydrophobicContact CD1-CD2 3.38Å; L43-L324 HydrophobicContact CD1-CG 4.47Å; L43-L324 HydrophobicContact CG-CD2 3.64Å; R322-L324 PolarHBondContact O-N 2.98Å; L324-N329 PolarHBondContact O-ND2 3.35Å
325	T	96.8	Very high	97.3	Very high	101 Å²	101	51.6 Å²	51.6	62%	0.62	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	-14.6	-172.9	56.1	0	0	0	0	113.5	R322 S330	R322-T325 CarbonylContact O-C 3.54Å; R322-T325 PolarHBondContact O-N 2.66Å; R322-T325 PolarHBondContact O-OG1 3.47Å; T325-S330 WeakPolarHBondContact O-CB 2.87Å; T325-S330 PolarHBondContact O-OG 3Å
326	D	97.9	Very high	97.3	Very high	13 Å²	13	52.9 Å²	52.9	7%	0.07	28%	0.281	C	S	.	.	S	Bend	trans	-121.2	101.8	-180	-177.7	11.5	0	0	0	110.3	S262 N263 S264 R278 R322 S330	S262-D326 PolarHBondContact OG-OD2 2.91Å; N263-D326 WeakPolarHBondContact CA-OD1 3.48Å; N263-D326 VanDerWaalsContact CB-OD1 3.24Å; N263-D326 WeakPolarHBondContact CB-OD1 3.5Å; N263-D326 PolarHBondContact N-OD1 2.92Å; N263-D326 PolarHBondContact ND2-OD1 3.29Å; N263-D326 VanDerWaalsContact ND2-OD1 3.16Å; S264-D326 WeakPolarHBondContact CB-OD2 3.34Å; S264-D326 PolarHBondContact OG-OD2 3.18Å; R278-D326 VanDerWaalsContact CZ-O 3.24Å; R278-D326 PolarHBondContact NH1-O 2.8Å; R278-D326 PolarHBondContact NH2-O 2.48Å; R322-D326 HydrophobicContact CB-CB 4.26Å; R322-D326 IonicContact CZ-OD2 2.64Å; R322-D326 IonicContact NH1-OD2 3.9Å; R322-D326 PolarHBondContact NH1-OD2 3.45Å; R322-D326 WeakPolarHBondContact O-CB 3.46Å; R322-D326 PolarHBondContact O-N 2.77Å; D326-S330 VanDerWaalsContact CA-OG 3.3Å; D326-S330 WeakPolarHBondContact CA-OG 3.04Å
327	G	98.4	Very high	97.3	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.289	C	S	.	.	S	Bend	trans	172.4	-144.3	178.3	0	0	0	0	0	113.7	N259 Y261 N263 N329 S330 V331	N259-G327 WeakPolarHBondContact ND2-CA 3.41Å; N259-G327 CarbonylContact O-C 3.52Å; N259-G327 WeakPolarHBondContact O-CA 3.49Å; Y261-G327 WeakPolarHBondContact O-CA 3.46Å; N263-G327 PolarHBondContact ND2-N 2.85Å; N263-G327 PolarHBondContact ND2-O 3.16Å; G327-N329 PolarHBondContact O-N 3.36Å; G327-S330 PolarHBondContact N-OG 2.86Å; G327-S330 PolarHBondContact O-N 3.28Å; G327-S330 VanDerWaalsContact O-N 3.1Å; G327-V331 PolarHBondContact O-N 3.16Å; G327-V331 VanDerWaalsContact O-N 3.1Å
328	L	98.3	Very high	97.2	Very high	6 Å²	6	51.9 Å²	51.9	3%	0.031	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-37.4	175.8	-67.5	170.4	0	0	0	112.4	I51 N183 F186 I187 F255 I256 N259 S330 V331	I51-L328 HydrophobicContact CG2-CB 3.38Å; I51-L328 HydrophobicContact CG2-CD1 4.27Å; I51-L328 HydrophobicContact CG2-CG 4.44Å; N183-L328 HydrophobicContact CB-CD2 3.91Å; F186-L328 HydrophobicContact CD1-CD1 4.23Å; F186-L328 HydrophobicContact CD1-CD2 3.92Å; F186-L328 HydrophobicContact CE1-CD1 4.11Å; I187-L328 HydrophobicContact CD1-CD2 4.17Å; I187-L328 HydrophobicContact CG1-CD2 4.1Å; F255-L328 HydrophobicContact CD1-CD1 3.99Å; F255-L328 HydrophobicContact CE1-CD1 3.97Å; F255-L328 HydrophobicContact CE1-CD2 3.89Å; F255-L328 HydrophobicContact CE1-CG 4.26Å; I256-L328 HydrophobicContact CG1-CD1 4.34Å; N259-L328 PolarHBondContact O-N 3.33Å; N259-L328 PolarHBondContact OD1-N 3.46Å; L328-S330 PolarHBondContact O-N 3.05Å; L328-V331 WeakPolarHBondContact O-CG1 3.43Å
329	N	96.3	Very high	97.2	Very high	58 Å²	58	54.5 Å²	54.5	31%	0.31	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-10.7	-179.4	70.7	-10.9	0	0	0	115.3	I51 N259 L324 G327	I51-N329 HydrophobicContact CD1-CB 4.44Å; I51-N329 HydrophobicContact CG1-CB 4.06Å; N259-N329 VanDerWaalsContact ND2-CG 3.26Å; N259-N329 PolarHBondContact ND2-OD1 2.88Å; N259-N329 PolarHBondContact OD1-N 2.99Å; N259-N329 PolarHBondContact OD1-OD1 3.45Å; L324-N329 PolarHBondContact O-ND2 3.35Å; G327-N329 PolarHBondContact O-N 3.36Å
330	S	97.4	Very high	97	Very high	44 Å²	44	58.9 Å²	58.9	31%	0.308	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132	3.5	-175.2	59.4	0	0	0	0	114.5	T325 D326 G327 L328 K332	T325-S330 WeakPolarHBondContact O-CB 2.87Å; T325-S330 PolarHBondContact O-OG 3Å; D326-S330 VanDerWaalsContact CA-OG 3.3Å; D326-S330 WeakPolarHBondContact CA-OG 3.04Å; G327-S330 PolarHBondContact N-OG 2.86Å; G327-S330 PolarHBondContact O-N 3.28Å; G327-S330 VanDerWaalsContact O-N 3.1Å; L328-S330 PolarHBondContact O-N 3.05Å; S330-K332 PolarHBondContact O-N 3.13Å
331	V	97.3	Very high	96.7	Very high	19 Å²	19	59.3 Å²	59.3	12%	0.115	30%	0.299	C	S	.	.			trans	-67.1	118	176.8	66.3	0	0	0	0	110.8	R180 N183 V184 I187 G327 L328 Y333	R180-V331 HydrophobicContact CG-CG2 3.79Å; N183-V331 HydrophobicContact CB-CG2 4.44Å; V184-V331 HydrophobicContact CG2-CG2 3.74Å; I187-V331 HydrophobicContact CD1-CG1 3.37Å; G327-V331 PolarHBondContact O-N 3.16Å; G327-V331 VanDerWaalsContact O-N 3.1Å; L328-V331 WeakPolarHBondContact O-CG1 3.43Å; V331-Y333 HydrophobicContact CG1-CD1 4.43Å; V331-Y333 HydrophobicContact CG1-CE1 4.4Å; V331-Y333 HydrophobicContact CG2-CD1 4.2Å
332	K	97.1	Very high	96.3	Very high	132 Å²	132	59.5 Å²	59.5	57%	0.574	29%	0.293	S	S	*	.			trans	-104.1	128.8	174.4	-57.6	-177.2	-179	179.5	0	111.1	R180 S330 E352	R180-K332 PolarHBondContact NH2-O 2.83Å; S330-K332 PolarHBondContact O-N 3.13Å; K332-E352 HydrophobicContact CB-CB 3.92Å; K332-E352 PolarHBondContact O-N 3.33Å
333	Y	98.1	Very high	96.1	Very high	40 Å²	40	58.9 Å²	58.9	16%	0.157	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	161.8	-178.5	69.6	-78.9	0	0	0	111.3	V184 I187 E188 K191 V331 V335 I349 S350	V184-Y333 HydrophobicContact CB-CD2 4.45Å; V184-Y333 HydrophobicContact CB-CG 4.45Å; V184-Y333 HydrophobicContact CG1-CD1 4.41Å; V184-Y333 HydrophobicContact CG1-CD2 3.54Å; V184-Y333 HydrophobicContact CG1-CE1 4.4Å; V184-Y333 HydrophobicContact CG1-CE2 3.52Å; V184-Y333 HydrophobicContact CG1-CG 4Å; V184-Y333 HydrophobicContact CG2-CD1 3.65Å; V184-Y333 HydrophobicContact CG2-CD2 4.04Å; V184-Y333 HydrophobicContact CG2-CE1 4.13Å; V184-Y333 HydrophobicContact CG2-CE2 4.49Å; V184-Y333 HydrophobicContact CG2-CG 3.59Å; I187-Y333 HydrophobicContact CD1-CE1 4.34Å; I187-Y333 VanDerWaalsContact CG2-OH 3.22Å; I187-Y333 WeakPolarHBondContact CG2-OH 3.24Å; E188-Y333 HydrophobicContact CG-CE2 4.15Å; E188-Y333 WeakPolarHBondContact OE1-CE2 3.32Å; E188-Y333 PolarHBondContact OE1-OH 2.94Å; K191-Y333 PolarHBondContact NZ-OH 2.97Å; V331-Y333 HydrophobicContact CG1-CD1 4.43Å; V331-Y333 HydrophobicContact CG1-CE1 4.4Å; V331-Y333 HydrophobicContact CG2-CD1 4.2Å; Y333-V335 HydrophobicContact CD2-CG2 4.42Å; Y333-V335 HydrophobicContact CE2-CG2 3.99Å; Y333-I349 HydrophobicContact CD2-CD1 4.28Å; Y333-I349 HydrophobicContact CD2-CG2 4.13Å; Y333-I349 HydrophobicContact CG-CG2 4.38Å; Y333-S350 CarbonylContact C-O 3.54Å; Y333-S350 VanDerWaalsContact CA-O 3.27Å; Y333-S350 WeakPolarHBondContact CA-O 3.22Å
334	K	97.9	Very high	96	Very high	125 Å²	125	59.6 Å²	59.6	54%	0.543	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	132.4	168.1	-74.6	176.5	174.7	139.4	0	110.3	S336 S350 E352	K334-S336 PolarHBondContact O-N 2.87Å; K334-S350 PolarHBondContact N-O 2.64Å; K334-S350 PolarHBondContact O-N 3.49Å; K334-E352 WeakPolarHBondContact CD-OE1 3.35Å; K334-E352 WeakPolarHBondContact CE-OE1 3.44Å; K334-E352 WeakPolarHBondContact CG-OE1 3.5Å; K334-E352 IonicContact NZ-OE1 2.68Å; K334-E352 PolarHBondContact NZ-OE1 2.85Å
335	V	97.8	Very high	96.2	Very high	54 Å²	54	57.5 Å²	57.5	33%	0.327	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	109.5	165.7	-178.2	0	0	0	0	107.5	E188 Y333 Y338 F347 I349	E188-V335 HydrophobicContact CG-CG2 4.33Å; Y333-V335 HydrophobicContact CD2-CG2 4.42Å; Y333-V335 HydrophobicContact CE2-CG2 3.99Å; V335-Y338 HydrophobicContact CG1-CD1 4.4Å; V335-F347 HydrophobicContact CG1-CD1 4.02Å; V335-F347 HydrophobicContact CG2-CD1 4.37Å; V335-I349 HydrophobicContact CB-CD1 4.46Å; V335-I349 HydrophobicContact CG2-CD1 3.95Å
336	S	97.2	Very high	96.3	Very high	50 Å²	50	53.8 Å²	53.8	35%	0.35	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	-39.9	178	-67.2	0	0	0	0	111.8	K171 K334 L348	K171-S336 WeakPolarHBondContact CD-OG 3.38Å; K171-S336 PolarHBondContact NZ-OG 3.02Å; K334-S336 PolarHBondContact O-N 2.87Å; S336-L348 WeakPolarHBondContact CB-O 3.22Å; S336-L348 PolarHBondContact N-O 3.13Å
337	T	97.3	Very high	96.3	Very high	45 Å²	45	53.2 Å²	53.2	28%	0.276	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	159.7	169.5	-173.2	0	0	0	0	108.9	F339 Y346 L348	T337-F339 HydrophobicContact CG2-CE2 3.71Å; T337-F339 HydrophobicContact CG2-CZ 4.22Å; T337-F339 WeakPolarHBondContact OG1-CE2 3.29Å; T337-F339 VanDerWaalsContact OG1-CZ 3.26Å; T337-F339 WeakPolarHBondContact OG1-CZ 3.37Å; T337-Y346 HydrophobicContact CG2-CE1 4.35Å; T337-L348 HydrophobicContact CG2-CB 3.66Å; T337-L348 HydrophobicContact CG2-CD2 4.03Å; T337-L348 HydrophobicContact CG2-CG 4.5Å; T337-L348 PolarHBondContact O-N 2.93Å
338	Y	96.6	Very high	96.3	Very high	114 Å²	114	54.9 Å²	54.9	45%	0.447	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	151	167.5	80	-86	0	0	0	109.8	V335 E340 Y346 F347	V335-Y338 HydrophobicContact CG1-CD1 4.4Å; Y338-E340 HydrophobicContact CE2-CG 4.47Å; Y338-Y346 CarbonylContact C-O 3.58Å; Y338-Y346 WeakPolarHBondContact CA-O 3.41Å; Y338-Y346 VanDerWaalsContact CB-O 3.24Å; Y338-Y346 WeakPolarHBondContact CB-O 3.48Å; Y338-F347 HydrophobicContact CG-CE1 4.19Å
339	F	95.5	Very high	96.3	Very high	114 Å²	114	54.6 Å²	54.6	50%	0.5	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	140.2	177	-56.4	-74.4	0	0	0	109.7	T337 Y346	T337-F339 HydrophobicContact CG2-CE2 3.71Å; T337-F339 HydrophobicContact CG2-CZ 4.22Å; T337-F339 WeakPolarHBondContact OG1-CE2 3.29Å; T337-F339 VanDerWaalsContact OG1-CZ 3.26Å; T337-F339 WeakPolarHBondContact OG1-CZ 3.37Å; F339-Y346 AromaticContact CD2-CD1 3.74Å; F339-Y346 HydrophobicContact CD2-CD1 3.74Å; F339-Y346 HydrophobicContact CD2-CE1 4.12Å; F339-Y346 HydrophobicContact CE2-CD1 4.48Å; F339-Y346 HydrophobicContact CE2-CE1 4.43Å; F339-Y346 PolarHBondContact N-O 3.1Å; F339-Y346 PolarHBondContact O-N 3.41Å
340	E	95.2	Very high	96.4	Very high	92 Å²	92	53.8 Å²	53.8	43%	0.43	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	123.7	170.3	-51.9	-169.9	133.1	0	0	108.7	L111 D112 R164 Y338 T345	L111-E340 WeakPolarHBondContact O-CB 3.4Å; D112-E340 HydrophobicContact CB-CB 4.08Å; D112-E340 HydrophobicContact CB-CG 4.3Å; R164-E340 IonicContact CZ-OE1 2.59Å; R164-E340 IonicContact NH2-OE1 2.66Å; R164-E340 PolarHBondContact NH2-OE1 3.2Å; Y338-E340 HydrophobicContact CE2-CG 4.47Å; E340-T345 HydrophobicContact CG-CG2 4.26Å
341	K	91	Very high	96.3	Very high	86 Å²	86	53 Å²	53	37%	0.374	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	164.1	179.3	-63.7	-175.4	-178.8	-178.9	0	109.2	L111 D112 G113 H343 Y344	L111-K341 CarbonylContact C-O 3.58Å; D112-K341 CarbonylContact C-O 3.57Å; D112-K341 WeakPolarHBondContact CA-O 3.46Å; D112-K341 PolarHBondContact N-O 3.12Å; D112-K341 VanDerWaalsContact N-O 3.09Å; G113-K341 PolarHBondContact N-O 2.94Å; K341-H343 PolarHBondContact O-N 3.48Å; K341-H343 VanDerWaalsContact O-N 3.1Å; K341-Y344 WeakPolarHBondContact CB-O 3.31Å; K341-Y344 HydrophobicContact CD-CE2 3.71Å; K341-Y344 PolarHBondContact N-O 2.81Å; K341-Y344 PolarHBondContact NZ-OH 3.35Å; K341-Y344 VanDerWaalsContact NZ-OH 3.16Å; K341-Y344 PolarHBondContact O-N 3.2Å; K341-Y344 VanDerWaalsContact O-O 3.14Å
342	Q	87.9	Confident	96	Very high	71 Å²	71	58.1 Å²	58.1	33%	0.332	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-42.4	-179.8	-175.7	176.2	-15.9	0	0	113	D104 Q109 G113	D104-Q342 PolarHBondContact OD1-NE2 3.07Å; D104-Q342 PolarHBondContact OD2-NE2 3.37Å; Q109-Q342 WeakPolarHBondContact CB-O 3.27Å; G113-Q342 WeakPolarHBondContact CA-O 3.35Å; G113-Q342 PolarHBondContact N-O 3.3Å
343	H	92.3	Very high	95.9	Very high	23 Å²	23	54.5 Å²	54.5	11%	0.106	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-11.9	-173.1	-57.3	-61.1	0	0	0	115.8	I102 D104 Q109 G113 I153 I165 K341	I102-H343 HydrophobicContact CD1-CB 4.03Å; I102-H343 WeakPolarHBondContact CD1-CD2 3.32Å; D104-H343 IonicContact OD1-CE1 2.75Å; D104-H343 PolarHBondContact OD1-CE1 2.81Å; D104-H343 VanDerWaalsContact OD1-CE1 3.31Å; D104-H343 IonicContact OD1-NE2 3.83Å; Q109-H343 PolarHBondContact OE1-ND1 2.8Å; G113-H343 WeakPolarHBondContact CA-O 3.37Å; I153-H343 HydrophobicContact CD1-CB 3.98Å; I165-H343 WeakPolarHBondContact CB-O 3.33Å; K341-H343 PolarHBondContact O-N 3.48Å; K341-H343 VanDerWaalsContact O-N 3.1Å
344	Y	95.9	Very high	95.8	Very high	21 Å²	21	55.2 Å²	55.2	8%	0.082	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	158.3	-177.4	53.8	-91.3	0	0	0	112.1	D112 W142 L149 I165 V167 K341	D112-Y344 CarbonylContact O-C 3.58Å; W142-Y344 HydrophobicContact CZ3-CE2 4.41Å; L149-Y344 HydrophobicContact CD1-CD1 3.71Å; L149-Y344 HydrophobicContact CD1-CE1 4.02Å; I165-Y344 CarbonylContact O-C 3.53Å; I165-Y344 WeakPolarHBondContact O-CA 3.47Å; V167-Y344 HydrophobicContact CB-CD2 3.76Å; V167-Y344 HydrophobicContact CB-CE2 4.22Å; V167-Y344 HydrophobicContact CB-CG 4.28Å; V167-Y344 HydrophobicContact CG2-CD1 4.15Å; V167-Y344 HydrophobicContact CG2-CD2 3.54Å; V167-Y344 HydrophobicContact CG2-CE2 4.15Å; V167-Y344 HydrophobicContact CG2-CG 3.55Å; K341-Y344 WeakPolarHBondContact CB-O 3.31Å; K341-Y344 HydrophobicContact CD-CE2 3.71Å; K341-Y344 PolarHBondContact N-O 2.81Å; K341-Y344 PolarHBondContact NZ-OH 3.35Å; K341-Y344 VanDerWaalsContact NZ-OH 3.16Å; K341-Y344 PolarHBondContact O-N 3.2Å; K341-Y344 VanDerWaalsContact O-O 3.14Å
345	T	97.9	Very high	95.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	121.2	162.4	-54	0	0	0	0	109.2	D112 R164 I165 F166 V167 E340 F347	D112-T345 PolarHBondContact O-N 3.13Å; D112-T345 VanDerWaalsContact O-N 3.12Å; D112-T345 PolarHBondContact O-OG1 3.2Å; R164-T345 PolarHBondContact NE-OG1 3.2Å; R164-T345 VanDerWaalsContact NE-OG1 3.08Å; R164-T345 PolarHBondContact NH2-OG1 3.25Å; I165-T345 PolarHBondContact O-N 3.49Å; F166-T345 WeakPolarHBondContact CA-O 3.46Å; V167-T345 PolarHBondContact N-O 2.92Å; E340-T345 HydrophobicContact CG-CG2 4.26Å; T345-F347 HydrophobicContact CG2-CD2 4.26Å; T345-F347 HydrophobicContact CG2-CE2 3.41Å; T345-F347 VanDerWaalsContact CG2-CE2 3.41Å; T345-F347 HydrophobicContact CG2-CZ 3.84Å
346	Y	98.1	Very high	95.6	Very high	23 Å²	23	51.2 Å²	51.2	9%	0.09	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	140.5	-179.1	169.1	-97.7	0	0	0	112.2	W142 V167 E169 T337 Y338 F339 L348	W142-Y346 AromaticContact CH2-CD2 3.65Å; W142-Y346 HydrophobicContact CH2-CD2 3.65Å; W142-Y346 AromaticContact CH2-CE2 3.53Å; W142-Y346 HydrophobicContact CH2-CE2 3.53Å; W142-Y346 HydrophobicContact CZ2-CD2 4.37Å; W142-Y346 AromaticContact CZ2-CE2 3.78Å; W142-Y346 HydrophobicContact CZ2-CE2 3.78Å; V167-Y346 HydrophobicContact CG1-CD2 4.31Å; V167-Y346 CarbonylContact O-C 3.56Å; V167-Y346 WeakPolarHBondContact O-CA 3.22Å; E169-Y346 HydrophobicContact CB-CE2 3.73Å; E169-Y346 VanDerWaalsContact OE2-CE2 3.24Å; E169-Y346 WeakPolarHBondContact OE2-CE2 3.45Å; E169-Y346 VanDerWaalsContact OE2-CZ 3.25Å; E169-Y346 PolarHBondContact OE2-OH 2.89Å; T337-Y346 HydrophobicContact CG2-CE1 4.35Å; Y338-Y346 CarbonylContact C-O 3.58Å; Y338-Y346 WeakPolarHBondContact CA-O 3.41Å; Y338-Y346 VanDerWaalsContact CB-O 3.24Å; Y338-Y346 WeakPolarHBondContact CB-O 3.48Å; F339-Y346 AromaticContact CD2-CD1 3.74Å; F339-Y346 HydrophobicContact CD2-CD1 3.74Å; F339-Y346 HydrophobicContact CD2-CE1 4.12Å; F339-Y346 HydrophobicContact CE2-CD1 4.48Å; F339-Y346 HydrophobicContact CE2-CE1 4.43Å; F339-Y346 PolarHBondContact N-O 3.1Å; F339-Y346 PolarHBondContact O-N 3.41Å; Y346-L348 HydrophobicContact CE1-CB 3.99Å
347	F	98.3	Very high	95.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	131.6	172.5	-68.3	-94.9	0	0	0	111.6	F166 V167 I168 E169 E188 R192 V335 Y338 T345 I349	F166-F347 AromaticContact CD1-CE2 3.97Å; F166-F347 HydrophobicContact CD1-CE2 3.97Å; V167-F347 PolarHBondContact O-N 2.77Å; I168-F347 HydrophobicContact CD1-CB 3.98Å; I168-F347 HydrophobicContact CD1-CD2 3.7Å; I168-F347 HydrophobicContact CD1-CG 4.09Å; E169-F347 PolarHBondContact N-O 2.82Å; E188-F347 HydrophobicContact CB-CD1 4.34Å; E188-F347 HydrophobicContact CB-CE1 3.88Å; E188-F347 HydrophobicContact CB-CE2 4.34Å; E188-F347 HydrophobicContact CB-CZ 3.89Å; E188-F347 HydrophobicContact CG-CD1 4.14Å; E188-F347 HydrophobicContact CG-CE1 3.96Å; E188-F347 HydrophobicContact CG-CZ 4.48Å; R192-F347 VanDerWaalsContact CZ-CZ 3.42Å; V335-F347 HydrophobicContact CG1-CD1 4.02Å; V335-F347 HydrophobicContact CG2-CD1 4.37Å; Y338-F347 HydrophobicContact CG-CE1 4.19Å; T345-F347 HydrophobicContact CG2-CD2 4.26Å; T345-F347 HydrophobicContact CG2-CE2 3.41Å; T345-F347 VanDerWaalsContact CG2-CE2 3.41Å; T345-F347 HydrophobicContact CG2-CZ 3.84Å; F347-I349 HydrophobicContact CB-CD1 3.82Å; F347-I349 HydrophobicContact CB-CG1 4.09Å; F347-I349 HydrophobicContact CD1-CD1 4.4Å
348	L	98.3	Very high	95.4	Very high	35 Å²	35	51.7 Å²	51.7	18%	0.183	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	115	164.6	-174.5	63.2	0	0	0	109.4	E169 K171 S336 T337 Y346	E169-L348 HydrophobicContact CB-CD1 4.3Å; E169-L348 HydrophobicContact CG-CD1 4.02Å; K171-L348 HydrophobicContact CB-CD1 3.87Å; K171-L348 HydrophobicContact CB-CG 4.01Å; K171-L348 HydrophobicContact CD-CD2 4.3Å; K171-L348 HydrophobicContact CD-CG 4.45Å; K171-L348 HydrophobicContact CG-CD1 4.38Å; K171-L348 HydrophobicContact CG-CD2 4.34Å; K171-L348 HydrophobicContact CG-CG 4.33Å; S336-L348 WeakPolarHBondContact CB-O 3.22Å; S336-L348 PolarHBondContact N-O 3.13Å; T337-L348 HydrophobicContact CG2-CB 3.66Å; T337-L348 HydrophobicContact CG2-CD2 4.03Å; T337-L348 HydrophobicContact CG2-CG 4.5Å; T337-L348 PolarHBondContact O-N 2.93Å; Y346-L348 HydrophobicContact CE1-CB 3.99Å
349	I	98.5	Very high	95.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124.9	-170.3	-58.5	-56.1	0	0	0	111.2	I168 E169 K171 L181 V184 Y333 V335 F347 L351	I168-I349 HydrophobicContact CG2-CG1 3.67Å; E169-I349 PolarHBondContact O-N 3.15Å; K171-I349 VanDerWaalsContact CB-O 3.32Å; K171-I349 WeakPolarHBondContact CB-O 3.48Å; K171-I349 PolarHBondContact N-O 3.49Å; L181-I349 HydrophobicContact CD2-CB 4.07Å; L181-I349 HydrophobicContact CD2-CG2 4.16Å; V184-I349 HydrophobicContact CG1-CD1 3.69Å; V184-I349 HydrophobicContact CG1-CG1 3.77Å; V184-I349 HydrophobicContact CG1-CG2 4.02Å; V184-I349 HydrophobicContact CG2-CG2 4.3Å; Y333-I349 HydrophobicContact CD2-CD1 4.28Å; Y333-I349 HydrophobicContact CD2-CG2 4.13Å; Y333-I349 HydrophobicContact CG-CG2 4.38Å; V335-I349 HydrophobicContact CB-CD1 4.46Å; V335-I349 HydrophobicContact CG2-CD1 3.95Å; F347-I349 HydrophobicContact CB-CD1 3.82Å; F347-I349 HydrophobicContact CB-CG1 4.09Å; F347-I349 HydrophobicContact CD1-CD1 4.4Å; I349-L351 HydrophobicContact CG2-CD2 3.9Å
350	S	97.8	Very high	95.3	Very high	41 Å²	41	42.1 Å²	42.1	29%	0.287	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	118.4	164.4	-167.7	0	0	0	0	108.7	Y333 K334	Y333-S350 CarbonylContact C-O 3.54Å; Y333-S350 VanDerWaalsContact CA-O 3.27Å; Y333-S350 WeakPolarHBondContact CA-O 3.22Å; K334-S350 PolarHBondContact N-O 2.64Å; K334-S350 PolarHBondContact O-N 3.49Å
351	L	96.6	Very high	95.3	Very high	28 Å²	28	37.9 Å²	37.9	15%	0.147	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	136.8	172.6	-60.5	177.5	0	0	0	109.3	Q170 N177 R180 L181 V184 W266 I349	Q170-L351 HydrophobicContact CG-CD1 3.99Å; Q170-L351 HydrophobicContact CG-CG 4.32Å; N177-L351 HydrophobicContact CB-CD1 3.96Å; R180-L351 HydrophobicContact CG-CD2 3.86Å; L181-L351 HydrophobicContact CD2-CD1 4.29Å; L181-L351 HydrophobicContact CD2-CD2 4.01Å; L181-L351 HydrophobicContact CD2-CG 4.29Å; L181-L351 HydrophobicContact CG-CD1 4.41Å; V184-L351 HydrophobicContact CG2-CD2 4.45Å; W266-L351 HydrophobicContact CH2-CB 4.36Å; W266-L351 HydrophobicContact CH2-CD1 3.99Å; W266-L351 HydrophobicContact CZ3-CD1 4.16Å; I349-L351 HydrophobicContact CG2-CD2 3.9Å
352	E	90.6	Very high	95.7	Very high	127 Å²	127	33.5 Å²	33.5	59%	0.593	17%	0.166	S	C	*	.			trans	-107.4	0	-177.4	-61	-166.8	142.9	0	0	114.7	R180 K332 K334	R180-E352 VanDerWaalsContact CZ-O 3.23Å; R180-E352 PolarHBondContact NH1-O 2.75Å; R180-E352 PolarHBondContact NH2-O 3.24Å; K332-E352 HydrophobicContact CB-CB 3.92Å; K332-E352 PolarHBondContact O-N 3.33Å; K334-E352 WeakPolarHBondContact CD-OE1 3.35Å; K334-E352 WeakPolarHBondContact CE-OE1 3.44Å; K334-E352 WeakPolarHBondContact CG-OE1 3.5Å; K334-E352 IonicContact NZ-OE1 2.68Å; K334-E352 PolarHBondContact NZ-OE1 2.85Å

Retrieved 352 of 352 residues in 275.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).