A0A3Q0KI09_SCHMA Loading...

Serine/threonine-protein phosphatase 2A regulatory subunit B'' subunit gamma

AlphaFold DB , UniProt , Accession A0A3Q0KI09, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 425 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	44.9	Very low	64	Low	197 Å²	197	96.8 Å²	96.8	97%	0.97	52%	0.516	S	S	*	.				0	127	0	-72.9	167.1	97.1	0	0	106.5
2	S	48.7	Very low	65.1	Low	61 Å²	61	93.5 Å²	93.5	43%	0.427	50%	0.498	S	S	.	.			trans	-58.7	145.9	174.9	49.7	0	0	0	0	109.3	E4 N5	S2-E4 PolarHBondContact O-N 3.24Å; S2-E4 VanDerWaalsContact O-N 3.12Å; S2-N5 PolarHBondContact O-N 3.14Å
3	S	54.2	Low	66.4	Low	84 Å²	84	95.7 Å²	95.7	59%	0.587	50%	0.503	S	S	*	.	H	α-helix	trans	-53.9	-32.2	179.5	54.1	0	0	0	0	112.2	N5 L6 H7	S3-N5 PolarHBondContact O-N 3.47Å; S3-L6 PolarHBondContact O-N 3.07Å; S3-H7 PolarHBondContact O-CD2 2.93Å; S3-H7 PolarHBondContact O-N 2.96Å
4	E	53.6	Low	67.4	Low	149 Å²	149	98.6 Å²	98.6	70%	0.696	51%	0.505	S	S	*	.	H	α-helix	trans	-58.3	-40.7	175.9	-71.1	177.4	158.3	0	0	113.5	S2 L6 H7 S8	S2-E4 PolarHBondContact O-N 3.24Å; S2-E4 VanDerWaalsContact O-N 3.12Å; E4-L6 VanDerWaalsContact C-N 3.33Å; E4-L6 PolarHBondContact O-N 3.18Å; E4-H7 PolarHBondContact O-N 3.35Å; E4-S8 PolarHBondContact O-N 3.23Å
5	N	63.9	Low	68.2	Low	85 Å²	85	97.1 Å²	97.1	46%	0.455	49%	0.492	S	S	.	.	H	α-helix	trans	-67.9	-36	179.5	-74.8	-6.6	0	0	0	111.5	S2 S3 S8 D9	S2-N5 PolarHBondContact O-N 3.14Å; S3-N5 PolarHBondContact O-N 3.47Å; N5-S8 PolarHBondContact O-N 2.96Å; N5-D9 WeakPolarHBondContact O-CB 3.32Å; N5-D9 PolarHBondContact O-N 3.5Å
6	L	73.5	Confident	69	Low	100 Å²	100	96.9 Å²	96.9	52%	0.524	49%	0.487	S	S	.	.	H	α-helix	trans	-66.6	-40.8	179.5	-175.2	67.8	0	0	0	112	S3 E4 D9 L10	S3-L6 PolarHBondContact O-N 3.07Å; E4-L6 VanDerWaalsContact C-N 3.33Å; E4-L6 PolarHBondContact O-N 3.18Å; L6-D9 PolarHBondContact O-N 3.37Å; L6-L10 HydrophobicContact CD1-CD1 4.33Å; L6-L10 HydrophobicContact CG-CD1 3.99Å; L6-L10 WeakPolarHBondContact O-CB 3.36Å; L6-L10 WeakPolarHBondContact O-CG 3.29Å; L6-L10 PolarHBondContact O-N 3.36Å
7	H	66.9	Low	69.8	Low	129 Å²	129	95.4 Å²	95.4	60%	0.597	49%	0.493	S	S	*	.	H	α-helix	trans	-66.4	-40.6	177.3	-72.7	-66.4	0	0	0	112.1	S3 E4 L10 F11	S3-H7 PolarHBondContact O-CD2 2.93Å; S3-H7 PolarHBondContact O-N 2.96Å; E4-H7 PolarHBondContact O-N 3.35Å; H7-L10 PolarHBondContact O-N 3.03Å; H7-F11 WeakPolarHBondContact O-CB 3.27Å; H7-F11 PolarHBondContact O-N 3.44Å
8	S	70.4	Confident	70.5	Confident	50 Å²	50	102.6 Å²	102.6	35%	0.35	51%	0.513	S	S	.	.	H	α-helix	trans	-61.8	-46.1	176.3	-135.7	0	0	0	0	111.5	E4 N5 F11 L12 I31	E4-S8 PolarHBondContact O-N 3.23Å; N5-S8 PolarHBondContact O-N 2.96Å; S8-F11 PolarHBondContact O-N 3.2Å; S8-L12 WeakPolarHBondContact O-CB 3.16Å; S8-L12 PolarHBondContact O-N 2.83Å; S8-I31 VanDerWaalsContact OG-CD1 3.23Å; S8-I31 WeakPolarHBondContact OG-CD1 3.27Å
9	D	75.6	Confident	71	Confident	92 Å²	92	101 Å²	101	49%	0.492	53%	0.525	S	S	.	.	H	α-helix	trans	-64.8	-43.6	179.2	-69.5	-22.2	0	0	0	112	N5 L6 L12 H13	N5-D9 WeakPolarHBondContact O-CB 3.32Å; N5-D9 PolarHBondContact O-N 3.5Å; L6-D9 PolarHBondContact O-N 3.37Å; D9-L12 PolarHBondContact O-N 2.96Å; D9-H13 WeakPolarHBondContact O-CB 3.48Å; D9-H13 PolarHBondContact O-N 2.78Å
10	L	78.1	Confident	71	Confident	76 Å²	76	96.9 Å²	96.9	40%	0.398	51%	0.508	S	S	.	.	H	α-helix	trans	-64.2	-45	176	-84	159.6	0	0	0	112	L6 H7 H13 Y14	L6-L10 HydrophobicContact CD1-CD1 4.33Å; L6-L10 HydrophobicContact CG-CD1 3.99Å; L6-L10 WeakPolarHBondContact O-CB 3.36Å; L6-L10 WeakPolarHBondContact O-CG 3.29Å; L6-L10 PolarHBondContact O-N 3.36Å; H7-L10 PolarHBondContact O-N 3.03Å; L10-H13 PolarHBondContact O-N 3.47Å; L10-Y14 HydrophobicContact CD2-CE2 3.87Å; L10-Y14 WeakPolarHBondContact O-CD2 3.43Å; L10-Y14 PolarHBondContact O-N 3.02Å
11	F	74.4	Confident	71.2	Confident	42 Å²	42	97 Å²	97	18%	0.184	51%	0.513	C	S	.	.	H	α-helix	trans	-59.2	-49.5	176.2	170	-98.6	0	0	0	110.7	H7 S8 H13 Y14 Y15 Y24 I31 F34	H7-F11 WeakPolarHBondContact O-CB 3.27Å; H7-F11 PolarHBondContact O-N 3.44Å; S8-F11 PolarHBondContact O-N 3.2Å; F11-H13 VanDerWaalsContact C-N 3.29Å; F11-H13 PolarHBondContact O-N 3.49Å; F11-Y14 PolarHBondContact O-N 3.42Å; F11-Y15 HydrophobicContact CE1-CG 4.45Å; F11-Y15 HydrophobicContact CZ-CD2 4.15Å; F11-Y15 HydrophobicContact CZ-CG 4.27Å; F11-Y15 WeakPolarHBondContact O-CB 3.23Å; F11-Y15 PolarHBondContact O-N 2.94Å; F11-Y24 HydrophobicContact CE1-CD2 4.36Å; F11-Y24 HydrophobicContact CE1-CE1 4.15Å; F11-Y24 AromaticContact CE1-CE2 3.77Å; F11-Y24 HydrophobicContact CE1-CE2 3.77Å; F11-Y24 AromaticContact CE1-CZ 3.64Å; F11-Y24 HydrophobicContact CZ-CE2 4.03Å; F11-I31 HydrophobicContact CD1-CD1 4.26Å; F11-I31 HydrophobicContact CD1-CG1 4.2Å; F11-I31 HydrophobicContact CD1-CG2 4.25Å; F11-I31 HydrophobicContact CD2-CG2 4.34Å; F11-I31 HydrophobicContact CE1-CG1 4.33Å; F11-I31 HydrophobicContact CE1-CG2 4.49Å; F11-I31 HydrophobicContact CG-CG2 4.17Å; F11-F34 AromaticContact CD2-CE2 3.99Å; F11-F34 HydrophobicContact CD2-CE2 3.99Å; F11-F34 AromaticContact CE2-CE2 3.82Å; F11-F34 HydrophobicContact CE2-CE2 3.82Å; F11-F34 HydrophobicContact CE2-CZ 4.3Å
12	L	77.4	Confident	72.2	Confident	57 Å²	57	95.5 Å²	95.5	30%	0.298	50%	0.503	S	S	.	.	H	α-helix	trans	-62.6	-38.9	-178.9	-146	83.7	0	0	0	111.6	S8 D9 K16 Y24	S8-L12 WeakPolarHBondContact O-CB 3.16Å; S8-L12 PolarHBondContact O-N 2.83Å; D9-L12 PolarHBondContact O-N 2.96Å; L12-K16 WeakPolarHBondContact O-CB 3.41Å; L12-K16 VanDerWaalsContact O-CG 3.27Å; L12-K16 WeakPolarHBondContact O-CG 3.16Å; L12-K16 PolarHBondContact O-N 3.29Å; L12-Y24 HydrophobicContact CD1-CD1 4.29Å; L12-Y24 HydrophobicContact CD1-CG 4.08Å
13	H	81.9	Confident	72.9	Confident	122 Å²	122	98 Å²	98	57%	0.565	52%	0.515	S	S	*	.	H	α-helix	trans	-59.7	-53.3	174.8	175.9	-78.9	0	0	0	111.7	D9 L10 F11 A17	D9-H13 WeakPolarHBondContact O-CB 3.48Å; D9-H13 PolarHBondContact O-N 2.78Å; L10-H13 PolarHBondContact O-N 3.47Å; F11-H13 VanDerWaalsContact C-N 3.29Å; F11-H13 PolarHBondContact O-N 3.49Å; H13-A17 WeakPolarHBondContact O-CB 3.49Å; H13-A17 PolarHBondContact O-N 2.9Å
14	Y	80.5	Confident	73	Confident	136 Å²	136	96.6 Å²	96.6	53%	0.533	50%	0.498	S	S	.	.	H	α-helix	trans	-69.8	-38.5	-179.5	-73.5	-65	0	0	0	112.9	L10 F11 K16 A17 W18	L10-Y14 HydrophobicContact CD2-CE2 3.87Å; L10-Y14 WeakPolarHBondContact O-CD2 3.43Å; L10-Y14 PolarHBondContact O-N 3.02Å; F11-Y14 PolarHBondContact O-N 3.42Å; Y14-K16 VanDerWaalsContact C-N 3.34Å; Y14-K16 PolarHBondContact O-N 3.46Å; Y14-A17 PolarHBondContact O-N 3.49Å; Y14-W18 WeakPolarHBondContact O-CB 3.41Å; Y14-W18 VanDerWaalsContact O-CD1 3.29Å; Y14-W18 PolarHBondContact O-N 3.01Å
15	Y	78.5	Confident	73.1	Confident	77 Å²	77	96.5 Å²	96.5	30%	0.302	50%	0.497	S	S	.	.	H	α-helix	trans	-57.1	-47.8	175.4	178.4	-104.8	0	0	0	110.8	F11 W18 G19 G20 V21 Y24	F11-Y15 HydrophobicContact CE1-CG 4.45Å; F11-Y15 HydrophobicContact CZ-CD2 4.15Å; F11-Y15 HydrophobicContact CZ-CG 4.27Å; F11-Y15 WeakPolarHBondContact O-CB 3.23Å; F11-Y15 PolarHBondContact O-N 2.94Å; Y15-W18 PolarHBondContact O-N 3.45Å; Y15-G19 PolarHBondContact O-N 3.43Å; Y15-G20 VanDerWaalsContact O-CA 3.29Å; Y15-G20 WeakPolarHBondContact O-CA 3.33Å; Y15-G20 PolarHBondContact O-N 3.2Å; Y15-V21 PolarHBondContact OH-N 3.46Å; Y15-Y24 HydrophobicContact CD1-CD2 4.1Å; Y15-Y24 AromaticContact CE1-CD2 3.73Å; Y15-Y24 HydrophobicContact CE1-CD2 3.73Å; Y15-Y24 HydrophobicContact CE1-CE2 4.35Å
16	K	81.2	Confident	72.7	Confident	94 Å²	94	96.7 Å²	96.7	41%	0.409	51%	0.506	S	S	.	.	H	α-helix	trans	-65.8	-43.4	175.4	-72.1	178.7	178.8	-169.4	0	112.2	L12 Y14 W18 G19 E22	L12-K16 WeakPolarHBondContact O-CB 3.41Å; L12-K16 VanDerWaalsContact O-CG 3.27Å; L12-K16 WeakPolarHBondContact O-CG 3.16Å; L12-K16 PolarHBondContact O-N 3.29Å; Y14-K16 VanDerWaalsContact C-N 3.34Å; Y14-K16 PolarHBondContact O-N 3.46Å; K16-W18 PolarHBondContact O-N 3.25Å; K16-G19 PolarHBondContact O-N 3Å; K16-E22 VanDerWaalsContact CE-O 3.27Å; K16-E22 WeakPolarHBondContact CE-O 3.32Å; K16-E22 PolarHBondContact NZ-O 3.28Å; K16-E22 VanDerWaalsContact NZ-O 3.14Å
17	A	83.6	Confident	71.5	Confident	71 Å²	71	100.4 Å²	100.4	59%	0.587	52%	0.52	S	S	*	.	H	α-helix	trans	-61.2	-25.6	178.4	0	0	0	0	0	113.1	H13 Y14	H13-A17 WeakPolarHBondContact O-CB 3.49Å; H13-A17 PolarHBondContact O-N 2.9Å; Y14-A17 PolarHBondContact O-N 3.49Å
18	W	81.9	Confident	70.5	Confident	225 Å²	225	100.9 Å²	100.9	85%	0.852	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	16.4	-178.1	-72.2	39.9	0	0	0	113.3	Y14 Y15 K16	Y14-W18 WeakPolarHBondContact O-CB 3.41Å; Y14-W18 VanDerWaalsContact O-CD1 3.29Å; Y14-W18 PolarHBondContact O-N 3.01Å; Y15-W18 PolarHBondContact O-N 3.45Å; K16-W18 PolarHBondContact O-N 3.25Å
19	G	79.8	Confident	69.4	Low	72 Å²	72	104.7 Å²	104.7	74%	0.742	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.8	16.1	174.2	0	0	0	0	0	115.2	Y15 K16	Y15-G19 PolarHBondContact O-N 3.43Å; K16-G19 PolarHBondContact O-N 3Å
20	G	70.6	Confident	68.4	Low	19 Å²	19	103.4 Å²	103.4	20%	0.196	55%	0.551	C	S	.	*			trans	-67.8	155.5	169.3	0	0	0	0	0	113	Y15	Y15-G20 VanDerWaalsContact O-CA 3.29Å; Y15-G20 WeakPolarHBondContact O-CA 3.33Å; Y15-G20 PolarHBondContact O-N 3.2Å
21	V	76.2	Confident	67.3	Low	99 Å²	99	102.5 Å²	102.5	60%	0.6	55%	0.546	S	S	*	.			trans	-68.5	142.3	-175.7	-162	0	0	0	0	111	Y15 V23	Y15-V21 PolarHBondContact OH-N 3.46Å; V21-V23 VanDerWaalsContact C-N 3.25Å; V21-V23 PolarHBondContact O-N 3.27Å
22	E	65.7	Low	66.4	Low	165 Å²	165	103.7 Å²	103.7	77%	0.771	56%	0.558	S	S	*	*	S	Bend	trans	-60.7	-30.6	-175.8	-81.7	-172.2	151.9	0	0	114.3	K16	K16-E22 VanDerWaalsContact CE-O 3.27Å; K16-E22 WeakPolarHBondContact CE-O 3.32Å; K16-E22 PolarHBondContact NZ-O 3.28Å; K16-E22 VanDerWaalsContact NZ-O 3.14Å
23	V	62.3	Low	65.3	Low	113 Å²	113	106.9 Å²	106.9	69%	0.685	58%	0.575	S	S	*	*			trans	-107.1	100.4	177.6	-175	0	0	0	0	108.2	V21 E25	V21-V23 VanDerWaalsContact C-N 3.25Å; V21-V23 PolarHBondContact O-N 3.27Å; V23-E25 HydrophobicContact CG1-CG 4.5Å
24	Y	57.1	Low	64.2	Low	55 Å²	55	108.7 Å²	108.7	22%	0.216	58%	0.582	C	S	.	*			trans	-87.5	101.9	170.3	-166.9	-96.7	0	0	0	107.5	F11 L12 Y15 S26 L29 I31	F11-Y24 HydrophobicContact CE1-CD2 4.36Å; F11-Y24 HydrophobicContact CE1-CE1 4.15Å; F11-Y24 AromaticContact CE1-CE2 3.77Å; F11-Y24 HydrophobicContact CE1-CE2 3.77Å; F11-Y24 AromaticContact CE1-CZ 3.64Å; F11-Y24 HydrophobicContact CZ-CE2 4.03Å; L12-Y24 HydrophobicContact CD1-CD1 4.29Å; L12-Y24 HydrophobicContact CD1-CG 4.08Å; Y15-Y24 HydrophobicContact CD1-CD2 4.1Å; Y15-Y24 AromaticContact CE1-CD2 3.73Å; Y15-Y24 HydrophobicContact CE1-CD2 3.73Å; Y15-Y24 HydrophobicContact CE1-CE2 4.35Å; Y24-S26 VanDerWaalsContact C-N 3.34Å; Y24-S26 PolarHBondContact O-N 3.11Å; Y24-L29 PolarHBondContact OH-O 2.92Å; Y24-I31 HydrophobicContact CE1-CG1 4.22Å
25	E	56.7	Low	63.3	Low	147 Å²	147	109.7 Å²	109.7	69%	0.687	59%	0.589	S	S	*	*			trans	-68.7	91.9	173.3	-75.6	-176.5	173.3	0	0	109.1	V23 E27	V23-E25 HydrophobicContact CG1-CG 4.5Å; E25-E27 PolarHBondContact O-N 3.42Å
26	S	53.5	Low	62.7	Low	90 Å²	90	112.6 Å²	112.6	63%	0.629	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	-10.3	-179	70.2	0	0	0	0	113.7	Y24	Y24-S26 VanDerWaalsContact C-N 3.34Å; Y24-S26 PolarHBondContact O-N 3.11Å
27	E	50.2	Low	62.5	Low	178 Å²	178	114.4 Å²	114.4	83%	0.832	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-16.4	-172	-68.4	-168.9	164.7	0	0	114.3	E25	E25-E27 PolarHBondContact O-N 3.42Å
28	N	44.5	Very low	62.2	Low	139 Å²	139	113.1 Å²	113.1	74%	0.743	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.4	-7.2	-175.5	-78.5	-48.2	0	0	0	116.2
29	L	46.9	Very low	62.1	Low	130 Å²	130	103.6 Å²	103.6	68%	0.681	56%	0.562	S	S	*	*	S	Bend	trans	-134.9	84.8	173.1	-76.6	155.1	0	0	0	106.2	Y24 I31	Y24-L29 PolarHBondContact OH-O 2.92Å; L29-I31 PolarHBondContact O-N 2.68Å
30	G	55.1	Low	62.1	Low	64 Å²	64	105 Å²	105	66%	0.66	55%	0.549	S	S	*	.			trans	-47.8	133.7	170.5	0	0	0	0	0	108.6
31	I	55.1	Low	62.3	Low	57 Å²	57	112.3 Å²	112.3	29%	0.292	58%	0.584	S	S	.	*			trans	-44	123.8	176.2	-62.4	170.6	0	0	0	106	S8 F11 Y24 L29 D33	S8-I31 VanDerWaalsContact OG-CD1 3.23Å; S8-I31 WeakPolarHBondContact OG-CD1 3.27Å; F11-I31 HydrophobicContact CD1-CD1 4.26Å; F11-I31 HydrophobicContact CD1-CG1 4.2Å; F11-I31 HydrophobicContact CD1-CG2 4.25Å; F11-I31 HydrophobicContact CD2-CG2 4.34Å; F11-I31 HydrophobicContact CE1-CG1 4.33Å; F11-I31 HydrophobicContact CE1-CG2 4.49Å; F11-I31 HydrophobicContact CG-CG2 4.17Å; Y24-I31 HydrophobicContact CE1-CG1 4.22Å; L29-I31 PolarHBondContact O-N 2.68Å; I31-D33 PolarHBondContact O-N 3.12Å
32	P	55.3	Low	62.7	Low	67 Å²	67	113.3 Å²	113.3	44%	0.435	59%	0.586	S	S	.	*			trans	-53.5	118.6	175.5	-21.5	30.5	0	0	0	106.3	F34	P32-F34 HydrophobicContact CB-CD1 4.44Å; P32-F34 HydrophobicContact CB-CD2 4.44Å; P32-F34 HydrophobicContact CB-CE1 4.04Å; P32-F34 HydrophobicContact CB-CE2 4.03Å; P32-F34 HydrophobicContact CB-CZ 3.82Å; P32-F34 HydrophobicContact CG-CE1 4.45Å; P32-F34 HydrophobicContact CG-CE2 4.21Å; P32-F34 HydrophobicContact CG-CZ 3.88Å; P32-F34 WeakPolarHBondContact O-CD2 2.98Å; P32-F34 WeakPolarHBondContact O-CE2 3.47Å; P32-F34 WeakPolarHBondContact O-CG 3.37Å; P32-F34 PolarHBondContact O-N 3.04Å
33	D	55.1	Low	63.6	Low	124 Å²	124	108.8 Å²	108.8	66%	0.663	56%	0.564	S	S	*	*			trans	-65.4	86.3	172.9	-82.6	-27.5	0	0	0	106.6	I31 F35 Q36	I31-D33 PolarHBondContact O-N 3.12Å; D33-F35 PolarHBondContact O-N 3.19Å; D33-Q36 HydrophobicContact CB-CG 4.25Å
34	F	58.9	Low	64.7	Low	160 Å²	160	109.1 Å²	109.1	70%	0.702	56%	0.561	S	S	*	*	S	Bend	trans	-62.9	-20.8	176.3	-63.7	-75.4	0	0	0	110.3	F11 P32	F11-F34 AromaticContact CD2-CE2 3.99Å; F11-F34 HydrophobicContact CD2-CE2 3.99Å; F11-F34 AromaticContact CE2-CE2 3.82Å; F11-F34 HydrophobicContact CE2-CE2 3.82Å; F11-F34 HydrophobicContact CE2-CZ 4.3Å; P32-F34 HydrophobicContact CB-CD1 4.44Å; P32-F34 HydrophobicContact CB-CD2 4.44Å; P32-F34 HydrophobicContact CB-CE1 4.04Å; P32-F34 HydrophobicContact CB-CE2 4.03Å; P32-F34 HydrophobicContact CB-CZ 3.82Å; P32-F34 HydrophobicContact CG-CE1 4.45Å; P32-F34 HydrophobicContact CG-CE2 4.21Å; P32-F34 HydrophobicContact CG-CZ 3.88Å; P32-F34 WeakPolarHBondContact O-CD2 2.98Å; P32-F34 WeakPolarHBondContact O-CE2 3.47Å; P32-F34 WeakPolarHBondContact O-CG 3.37Å; P32-F34 PolarHBondContact O-N 3.04Å
35	F	61.4	Low	66.2	Low	157 Å²	157	113.5 Å²	113.5	69%	0.689	59%	0.587	S	S	*	*			trans	-124.3	95.8	177	-174	-104.2	0	0	0	110.4	D33 R37	D33-F35 PolarHBondContact O-N 3.19Å; F35-R37 HydrophobicContact CD1-CB 4.26Å; F35-R37 HydrophobicContact CE1-CB 3.66Å; F35-R37 HydrophobicContact CE1-CG 4.14Å; F35-R37 HydrophobicContact CZ-CB 4.32Å; F35-R37 PolarHBondContact O-N 3.36Å
36	Q	66.3	Low	67.6	Low	138 Å²	138	109.3 Å²	109.3	65%	0.645	57%	0.573	S	S	*	*			trans	-85.8	98.4	162	-71.8	-174.2	-5.1	0	0	108.4	D33 V38 R50	D33-Q36 HydrophobicContact CB-CG 4.25Å; Q36-V38 PolarHBondContact O-N 3.06Å; Q36-R50 PolarHBondContact O-NH1 2.91Å
37	R	75.9	Confident	69.1	Low	132 Å²	132	107 Å²	107	50%	0.498	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-48.6	136.3	175.1	-176.8	-169.5	168.8	-168.8	3.3	110.4	F35 P39	F35-R37 HydrophobicContact CD1-CB 4.26Å; F35-R37 HydrophobicContact CE1-CB 3.66Å; F35-R37 HydrophobicContact CE1-CG 4.14Å; F35-R37 HydrophobicContact CZ-CB 4.32Å; F35-R37 PolarHBondContact O-N 3.36Å; R37-P39 WeakPolarHBondContact O-CD 3.49Å
38	V	78.1	Confident	70.9	Confident	45 Å²	45	103.6 Å²	103.6	27%	0.273	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-64.3	123.5	169.1	-178	0	0	0	0	108.4	Q36 E161	Q36-V38 PolarHBondContact O-N 3.06Å; V38-E161 HydrophobicContact CG2-CG 4.08Å
39	P	80.1	Confident	72.9	Confident	25 Å²	25	103 Å²	103	16%	0.162	54%	0.538	C	S	.	.	P	Polyproline II helix	trans	-53.9	141.6	176.5	-26.7	35.9	0	0	0	111.6	R37 E43 P46 A47	R37-P39 WeakPolarHBondContact O-CD 3.49Å; P39-E43 WeakPolarHBondContact CA-OE2 3.43Å; P39-E43 HydrophobicContact CB-CB 3.98Å; P39-P46 HydrophobicContact CB-CB 3.92Å; P39-P46 HydrophobicContact CG-CB 3.66Å; P39-A47 HydrophobicContact CB-CB 4.16Å
40	Q	78.7	Confident	74.8	Confident	102 Å²	102	100 Å²	100	48%	0.477	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-71.9	161	171.2	-75	-174.5	-26	0	0	111.3	N42 E43	Q40-N42 WeakPolarHBondContact CB-OD1 3.35Å; Q40-N42 PolarHBondContact O-N 2.71Å; Q40-E43 HydrophobicContact CB-CG 4.42Å; Q40-E43 PolarHBondContact N-OE2 3.11Å; Q40-E43 WeakPolarHBondContact O-CA 3.43Å; Q40-E43 WeakPolarHBondContact O-CB 3.38Å; Q40-E43 PolarHBondContact O-N 3.37Å
41	D	75.7	Confident	76.2	Confident	172 Å²	172	100.5 Å²	100.5	92%	0.92	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-23.7	-176.9	-61.9	-26.4	0	0	0	113.8
42	N	84.4	Confident	77.8	Confident	120 Å²	120	102.8 Å²	102.8	64%	0.642	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-13.6	175.3	63.1	-23.7	0	0	0	113.8	Q40 I44	Q40-N42 WeakPolarHBondContact CB-OD1 3.35Å; Q40-N42 PolarHBondContact O-N 2.71Å; N42-I44 PolarHBondContact O-N 3.19Å
43	E	84.7	Confident	79.4	Confident	69 Å²	69	102.4 Å²	102.4	32%	0.322	52%	0.518	S	S	.	.			trans	-91.8	67	-178.2	-63.2	-177.7	108.4	0	0	111.1	P39 Q40 L45 P46 A47	P39-E43 WeakPolarHBondContact CA-OE2 3.43Å; P39-E43 HydrophobicContact CB-CB 3.98Å; Q40-E43 HydrophobicContact CB-CG 4.42Å; Q40-E43 PolarHBondContact N-OE2 3.11Å; Q40-E43 WeakPolarHBondContact O-CA 3.43Å; Q40-E43 WeakPolarHBondContact O-CB 3.38Å; Q40-E43 PolarHBondContact O-N 3.37Å; E43-L45 PolarHBondContact O-N 3Å; E43-P46 HydrophobicContact CB-CB 4.46Å; E43-P46 HydrophobicContact CB-CG 4.16Å; E43-P46 WeakPolarHBondContact O-CD 3.47Å; E43-A47 VanDerWaalsContact O-CB 3.31Å; E43-A47 WeakPolarHBondContact O-CB 3.43Å; E43-A47 PolarHBondContact O-N 3.47Å
44	I	85.8	Confident	81	Confident	121 Å²	121	98.4 Å²	98.4	62%	0.621	49%	0.494	S	S	*	.	H	α-helix	trans	-57.8	-46.7	-171.6	-56.5	173.1	0	0	0	112.6	N42 A47 K48	N42-I44 PolarHBondContact O-N 3.19Å; I44-A47 PolarHBondContact O-N 3.14Å; I44-K48 HydrophobicContact CG2-CG 4.42Å; I44-K48 WeakPolarHBondContact O-CB 3.17Å; I44-K48 WeakPolarHBondContact O-CG 3.5Å; I44-K48 PolarHBondContact O-N 3.15Å
45	L	88.1	Confident	82.5	Confident	146 Å²	146	93 Å²	93	76%	0.764	48%	0.476	S	S	*	.	H	α-helix	trans	-66.8	-50.7	-176.6	-77.9	173.3	0	0	0	112.4	E43 A47 K48 L49	E43-L45 PolarHBondContact O-N 3Å; L45-A47 VanDerWaalsContact C-N 3.3Å; L45-A47 PolarHBondContact O-N 3.18Å; L45-K48 PolarHBondContact O-N 3.35Å; L45-L49 WeakPolarHBondContact O-CB 3.49Å; L45-L49 PolarHBondContact O-N 2.87Å
46	P	86.8	Confident	83.9	Confident	60 Å²	60	88.2 Å²	88.2	39%	0.39	47%	0.465	S	S	.	.	H	α-helix	trans	-58	-39.9	172.8	-27.3	35.2	0	0	0	113.4	P39 E43 L49 R50	P39-P46 HydrophobicContact CB-CB 3.92Å; P39-P46 HydrophobicContact CG-CB 3.66Å; E43-P46 HydrophobicContact CB-CB 4.46Å; E43-P46 HydrophobicContact CB-CG 4.16Å; E43-P46 WeakPolarHBondContact O-CD 3.47Å; P46-L49 PolarHBondContact O-N 3.05Å; P46-R50 WeakPolarHBondContact O-CB 3.49Å; P46-R50 PolarHBondContact O-N 3.41Å
47	A	84.6	Confident	85.1	Confident	41 Å²	41	86 Å²	86	34%	0.339	46%	0.457	S	S	.	.	H	α-helix	trans	-61.2	-48.5	177	0	0	0	0	0	111.5	P39 E43 I44 L45 R50 E51	P39-A47 HydrophobicContact CB-CB 4.16Å; E43-A47 VanDerWaalsContact O-CB 3.31Å; E43-A47 WeakPolarHBondContact O-CB 3.43Å; E43-A47 PolarHBondContact O-N 3.47Å; I44-A47 PolarHBondContact O-N 3.14Å; L45-A47 VanDerWaalsContact C-N 3.3Å; L45-A47 PolarHBondContact O-N 3.18Å; A47-R50 PolarHBondContact O-N 2.58Å; A47-E51 WeakPolarHBondContact O-CB 3.42Å; A47-E51 PolarHBondContact O-N 2.99Å
48	K	86.6	Confident	85.9	Confident	107 Å²	107	80.1 Å²	80.1	47%	0.465	44%	0.436	S	S	.	.	H	α-helix	trans	-64.8	-40.8	177.8	-76.7	-73.7	166	-156.7	0	113	I44 L45 R50 E51 D52	I44-K48 HydrophobicContact CG2-CG 4.42Å; I44-K48 WeakPolarHBondContact O-CB 3.17Å; I44-K48 WeakPolarHBondContact O-CG 3.5Å; I44-K48 PolarHBondContact O-N 3.15Å; L45-K48 PolarHBondContact O-N 3.35Å; K48-R50 VanDerWaalsContact C-N 3.32Å; K48-R50 PolarHBondContact O-N 3.1Å; K48-E51 WeakPolarHBondContact CD-OE2 3.38Å; K48-E51 WeakPolarHBondContact CE-OE2 3.4Å; K48-E51 IonicContact NZ-OE1 3.2Å; K48-E51 IonicContact NZ-OE2 2.62Å; K48-E51 PolarHBondContact NZ-OE2 3.09Å; K48-E51 WeakPolarHBondContact O-CB 3.31Å; K48-E51 PolarHBondContact O-N 3.04Å; K48-D52 PolarHBondContact O-N 3.37Å
49	L	87.9	Confident	86.6	Confident	126 Å²	126	84 Å²	84	66%	0.66	45%	0.451	S	S	*	.	H	α-helix	trans	-62.1	-40.7	175.5	-178.6	63.4	0	0	0	111.7	L45 P46 A53	L45-L49 WeakPolarHBondContact O-CB 3.49Å; L45-L49 PolarHBondContact O-N 2.87Å; P46-L49 PolarHBondContact O-N 3.05Å; L49-A53 VanDerWaalsContact O-CB 3.24Å; L49-A53 WeakPolarHBondContact O-CB 3.33Å; L49-A53 PolarHBondContact O-N 3.45Å
50	R	85.4	Confident	87.2	Confident	67 Å²	67	90.4 Å²	90.4	25%	0.253	47%	0.472	S	S	.	.	H	α-helix	trans	-65.8	-42.6	176.5	-174	179.5	178.9	101.1	-2.8	111.5	Q36 P46 A47 K48 R54 C159	Q36-R50 PolarHBondContact O-NH1 2.91Å; P46-R50 WeakPolarHBondContact O-CB 3.49Å; P46-R50 PolarHBondContact O-N 3.41Å; A47-R50 PolarHBondContact O-N 2.58Å; K48-R50 VanDerWaalsContact C-N 3.32Å; K48-R50 PolarHBondContact O-N 3.1Å; R50-R54 VanDerWaalsContact O-CB 3.32Å; R50-R54 WeakPolarHBondContact O-CB 3.47Å; R50-R54 PolarHBondContact O-N 3.49Å; R50-C159 PolarHBondContact NE-O 2.83Å; R50-C159 VanDerWaalsContact NE-O 3.17Å; R50-C159 PolarHBondContact NH2-O 3.48Å
51	E	86.1	Confident	87.9	Confident	74 Å²	74	89.8 Å²	89.8	35%	0.346	47%	0.468	S	S	.	.	H	α-helix	trans	-58.2	-51.5	174.8	-172.8	-174.5	166.2	0	0	111.2	A47 K48 R54 S55	A47-E51 WeakPolarHBondContact O-CB 3.42Å; A47-E51 PolarHBondContact O-N 2.99Å; K48-E51 WeakPolarHBondContact CD-OE2 3.38Å; K48-E51 WeakPolarHBondContact CE-OE2 3.4Å; K48-E51 IonicContact NZ-OE1 3.2Å; K48-E51 IonicContact NZ-OE2 2.62Å; K48-E51 PolarHBondContact NZ-OE2 3.09Å; K48-E51 WeakPolarHBondContact O-CB 3.31Å; K48-E51 PolarHBondContact O-N 3.04Å; E51-R54 PolarHBondContact O-N 3.45Å; E51-S55 WeakPolarHBondContact O-CB 3.44Å; E51-S55 PolarHBondContact O-N 3.43Å; E51-S55 PolarHBondContact O-OG 3.13Å; E51-S55 VanDerWaalsContact O-OG 3.05Å
52	D	88.3	Confident	88.7	Confident	105 Å²	105	84.4 Å²	84.4	56%	0.561	44%	0.443	S	S	*	.	H	α-helix	trans	-63.7	-43.9	179.2	-77.1	-10.7	0	0	0	112.2	K48 R54 S55 A56	K48-D52 PolarHBondContact O-N 3.37Å; D52-R54 VanDerWaalsContact C-N 3.32Å; D52-R54 PolarHBondContact O-N 2.96Å; D52-S55 PolarHBondContact O-N 3.02Å; D52-A56 WeakPolarHBondContact O-CB 3.43Å; D52-A56 PolarHBondContact O-N 2.99Å
53	A	88.8	Confident	89.2	Confident	60 Å²	60	84 Å²	84	50%	0.496	44%	0.441	S	S	.	.	H	α-helix	trans	-62.2	-39.8	177.3	0	0	0	0	0	112	L49 L57	L49-A53 VanDerWaalsContact O-CB 3.24Å; L49-A53 WeakPolarHBondContact O-CB 3.33Å; L49-A53 PolarHBondContact O-N 3.45Å; A53-L57 WeakPolarHBondContact O-CB 3.38Å; A53-L57 PolarHBondContact O-N 2.7Å
54	R	88.6	Confident	89.5	Confident	40 Å²	40	87.2 Å²	87.2	15%	0.151	45%	0.45	C	S	.	.	H	α-helix	trans	-65.9	-47.6	175	-177.7	179.7	65	-138.4	-4.5	110.9	R50 E51 D52 A56 L57 L58 D157 V158 G160	R50-R54 VanDerWaalsContact O-CB 3.32Å; R50-R54 WeakPolarHBondContact O-CB 3.47Å; R50-R54 PolarHBondContact O-N 3.49Å; E51-R54 PolarHBondContact O-N 3.45Å; D52-R54 VanDerWaalsContact C-N 3.32Å; D52-R54 PolarHBondContact O-N 2.96Å; R54-A56 VanDerWaalsContact C-N 3.34Å; R54-A56 PolarHBondContact O-N 3.43Å; R54-L57 WeakPolarHBondContact O-CB 3.24Å; R54-L57 PolarHBondContact O-N 2.82Å; R54-L57 VanDerWaalsContact O-N 3.13Å; R54-L58 HydrophobicContact CG-CD1 3.89Å; R54-L58 HydrophobicContact CG-CG 4.29Å; R54-L58 WeakPolarHBondContact O-CB 3.42Å; R54-L58 WeakPolarHBondContact O-CG 3.39Å; R54-L58 PolarHBondContact O-N 3.35Å; R54-D157 PolarHBondContact NE-O 3.42Å; R54-D157 PolarHBondContact NH1-O 3.46Å; R54-D157 PolarHBondContact NH2-O 3.3Å; R54-V158 VanDerWaalsContact NH1-C 3.29Å; R54-V158 PolarHBondContact NH1-O 2.94Å; R54-G160 VanDerWaalsContact NH1-N 3.18Å
55	S	89.2	Confident	89.9	Confident	46 Å²	46	82 Å²	82	32%	0.322	42%	0.424	S	S	.	.	H	α-helix	trans	-57.3	-47.1	178	-65.6	0	0	0	0	111.4	E51 D52 L57 L58 E59	E51-S55 WeakPolarHBondContact O-CB 3.44Å; E51-S55 PolarHBondContact O-N 3.43Å; E51-S55 PolarHBondContact O-OG 3.13Å; E51-S55 VanDerWaalsContact O-OG 3.05Å; D52-S55 PolarHBondContact O-N 3.02Å; S55-L57 VanDerWaalsContact C-N 3.34Å; S55-L57 PolarHBondContact O-N 3.01Å; S55-L58 PolarHBondContact O-N 3.44Å; S55-E59 WeakPolarHBondContact O-CB 3.48Å; S55-E59 PolarHBondContact O-N 3.41Å
56	A	92.1	Very high	90.3	Very high	56 Å²	56	75.1 Å²	75.1	46%	0.463	39%	0.387	S	S	.	.	H	α-helix	trans	-62.9	-38	175.8	0	0	0	0	0	112.9	D52 R54 R60	D52-A56 WeakPolarHBondContact O-CB 3.43Å; D52-A56 PolarHBondContact O-N 2.99Å; R54-A56 VanDerWaalsContact C-N 3.34Å; R54-A56 PolarHBondContact O-N 3.43Å; A56-R60 WeakPolarHBondContact O-CB 3.31Å; A56-R60 PolarHBondContact O-N 2.91Å
57	L	91.5	Very high	90.7	Very high	92 Å²	92	74.7 Å²	74.7	48%	0.482	39%	0.386	S	S	.	.	H	α-helix	trans	-65	-44.1	175.2	177.4	65.1	0	0	0	111.7	A53 R54 S55 R60 K61	A53-L57 WeakPolarHBondContact O-CB 3.38Å; A53-L57 PolarHBondContact O-N 2.7Å; R54-L57 WeakPolarHBondContact O-CB 3.24Å; R54-L57 PolarHBondContact O-N 2.82Å; R54-L57 VanDerWaalsContact O-N 3.13Å; S55-L57 VanDerWaalsContact C-N 3.34Å; S55-L57 PolarHBondContact O-N 3.01Å; L57-R60 PolarHBondContact O-N 3.43Å; L57-K61 WeakPolarHBondContact O-CG 3.32Å; L57-K61 PolarHBondContact O-N 3.4Å
58	L	92	Very high	91.1	Very high	9 Å²	9	78.7 Å²	78.7	5%	0.047	40%	0.401	C	S	.	.	H	α-helix	trans	-67.6	-42	179.4	-71.4	175.7	0	0	0	111.4	R54 S55 R60 K61 S62 V151 L155	R54-L58 HydrophobicContact CG-CD1 3.89Å; R54-L58 HydrophobicContact CG-CG 4.29Å; R54-L58 WeakPolarHBondContact O-CB 3.42Å; R54-L58 WeakPolarHBondContact O-CG 3.39Å; R54-L58 PolarHBondContact O-N 3.35Å; S55-L58 PolarHBondContact O-N 3.44Å; L58-R60 PolarHBondContact O-N 2.98Å; L58-K61 WeakPolarHBondContact O-CB 3.41Å; L58-K61 PolarHBondContact O-N 2.94Å; L58-K61 VanDerWaalsContact O-N 3.15Å; L58-S62 PolarHBondContact O-N 2.92Å; L58-V151 HydrophobicContact CB-CG1 4.13Å; L58-V151 HydrophobicContact CD2-CG1 4.3Å; L58-L155 HydrophobicContact CB-CD2 4.2Å; L58-L155 HydrophobicContact CD1-CD2 3.63Å; L58-L155 HydrophobicContact CD1-CG 4.08Å
59	E	92.8	Very high	91.5	Very high	127 Å²	127	77.7 Å²	77.7	59%	0.593	40%	0.404	S	S	*	.	H	α-helix	trans	-58.6	-47.2	172.5	-172.8	-176.3	-176.1	0	0	110.9	S55 K61 S62 L63	S55-E59 WeakPolarHBondContact O-CB 3.48Å; S55-E59 PolarHBondContact O-N 3.41Å; E59-K61 VanDerWaalsContact C-N 3.28Å; E59-K61 PolarHBondContact O-N 3.47Å; E59-S62 WeakPolarHBondContact O-CB 3.43Å; E59-S62 PolarHBondContact O-N 3.32Å; E59-S62 VanDerWaalsContact O-N 3.13Å; E59-L63 HydrophobicContact CG-CD1 4.31Å; E59-L63 WeakPolarHBondContact O-CG 3.35Å; E59-L63 PolarHBondContact O-N 2.92Å
60	R	93.8	Very high	91.9	Very high	158 Å²	158	73.4 Å²	73.4	60%	0.596	38%	0.381	S	S	*	.	H	α-helix	trans	-61.2	-36.5	176.1	-172.4	179	-175.1	-167.6	1.2	112.5	A56 L57 L58 R64	A56-R60 WeakPolarHBondContact O-CB 3.31Å; A56-R60 PolarHBondContact O-N 2.91Å; L57-R60 PolarHBondContact O-N 3.43Å; L58-R60 PolarHBondContact O-N 2.98Å; R60-R64 WeakPolarHBondContact O-CG 3.47Å; R60-R64 PolarHBondContact O-N 3.29Å
61	K	92.9	Very high	92.4	Very high	89 Å²	89	70.6 Å²	70.6	39%	0.387	37%	0.371	S	S	.	.	H	α-helix	trans	-66.5	-45.5	173.9	-76.7	178.5	-179.2	177.1	0	110.8	L57 L58 E59 L63 R64 V151	L57-K61 WeakPolarHBondContact O-CG 3.32Å; L57-K61 PolarHBondContact O-N 3.4Å; L58-K61 WeakPolarHBondContact O-CB 3.41Å; L58-K61 PolarHBondContact O-N 2.94Å; L58-K61 VanDerWaalsContact O-N 3.15Å; E59-K61 VanDerWaalsContact C-N 3.28Å; E59-K61 PolarHBondContact O-N 3.47Å; K61-L63 VanDerWaalsContact C-N 3.34Å; K61-L63 PolarHBondContact O-N 2.91Å; K61-R64 WeakPolarHBondContact O-CB 3.49Å; K61-R64 PolarHBondContact O-N 3.3Å; K61-R64 VanDerWaalsContact O-N 3.15Å; K61-V151 HydrophobicContact CB-CG2 3.9Å
62	S	92.7	Very high	92.9	Very high	59 Å²	59	72.8 Å²	72.8	41%	0.413	38%	0.381	S	S	.	.	H	α-helix	trans	-56.3	-46.9	176.3	-173.7	0	0	0	0	111.7	L58 E59 R64 L65	L58-S62 PolarHBondContact O-N 2.92Å; E59-S62 WeakPolarHBondContact O-CB 3.43Å; E59-S62 PolarHBondContact O-N 3.32Å; E59-S62 VanDerWaalsContact O-N 3.13Å; S62-R64 PolarHBondContact O-N 2.97Å; S62-R64 VanDerWaalsContact O-N 3.14Å; S62-L65 WeakPolarHBondContact O-CB 3.29Å; S62-L65 PolarHBondContact O-N 3.25Å
63	L	93.3	Very high	93.3	Very high	113 Å²	113	72.9 Å²	72.9	59%	0.592	38%	0.378	S	S	*	.	H	α-helix	trans	-63.7	-20.5	179.6	-70.3	172	0	0	0	114.3	E59 K61 L65 K108	E59-L63 HydrophobicContact CG-CD1 4.31Å; E59-L63 WeakPolarHBondContact O-CG 3.35Å; E59-L63 PolarHBondContact O-N 2.92Å; K61-L63 VanDerWaalsContact C-N 3.34Å; K61-L63 PolarHBondContact O-N 2.91Å; L63-L65 VanDerWaalsContact C-N 3.31Å; L63-K108 WeakPolarHBondContact O-CE 3.4Å; L63-K108 PolarHBondContact O-NZ 3.22Å; L63-K108 VanDerWaalsContact O-NZ 3.12Å
64	R	92.6	Very high	93.8	Very high	135 Å²	135	70.2 Å²	70.2	51%	0.509	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-13.7	175	-70.9	172.8	-179.6	-177.1	0.1	113.2	R60 K61 S62	R60-R64 WeakPolarHBondContact O-CG 3.47Å; R60-R64 PolarHBondContact O-N 3.29Å; K61-R64 WeakPolarHBondContact O-CB 3.49Å; K61-R64 PolarHBondContact O-N 3.3Å; K61-R64 VanDerWaalsContact O-N 3.15Å; S62-R64 PolarHBondContact O-N 2.97Å; S62-R64 VanDerWaalsContact O-N 3.14Å
65	L	94.4	Very high	94.2	Very high	13 Å²	13	71.5 Å²	71.5	7%	0.068	36%	0.36	C	S	.	.	S	Bend	trans	-82	154.7	179.5	-54.5	177.7	0	0	0	110.4	S62 L63 K108 V144 Q147 Q148	S62-L65 WeakPolarHBondContact O-CB 3.29Å; S62-L65 PolarHBondContact O-N 3.25Å; L63-L65 VanDerWaalsContact C-N 3.31Å; L65-K108 VanDerWaalsContact O-CD 3.31Å; L65-K108 WeakPolarHBondContact O-CD 3.32Å; L65-K108 PolarHBondContact O-NZ 3.49Å; L65-K108 VanDerWaalsContact O-NZ 3.08Å; L65-V144 HydrophobicContact CB-CG1 4.42Å; L65-Q147 HydrophobicContact CD1-CB 3.81Å; L65-Q147 HydrophobicContact CD2-CB 3.62Å; L65-Q147 HydrophobicContact CD2-CG 4.31Å; L65-Q147 HydrophobicContact CG-CB 4.4Å; L65-Q148 HydrophobicContact CB-CG 4.41Å; L65-Q148 HydrophobicContact CD1-CB 4.22Å; L65-Q148 HydrophobicContact CD1-CG 3.46Å; L65-Q148 VanDerWaalsContact CD1-CG 3.46Å
66	L	96	Very high	94.6	Very high	1 Å²	1	76.4 Å²	76.4	1%	0.005	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-71.7	128.6	174.3	-64.3	169.7	0	0	0	109	E70 L71 K108 A109 Y112 V140 V144 Q148	L66-E70 HydrophobicContact CB-CB 4.22Å; L66-E70 HydrophobicContact CD2-CB 3.79Å; L66-L71 HydrophobicContact CB-CD2 3.98Å; L66-L71 HydrophobicContact CB-CG 3.84Å; L66-L71 HydrophobicContact CD1-CD2 3.83Å; L66-K108 HydrophobicContact CD2-CB 3.7Å; L66-K108 HydrophobicContact CG-CB 4.48Å; L66-A109 HydrophobicContact CD1-CB 4.42Å; L66-A109 HydrophobicContact CD2-CB 4.01Å; L66-Y112 HydrophobicContact CD1-CD2 4.14Å; L66-Y112 HydrophobicContact CD1-CE2 3.63Å; L66-Y112 HydrophobicContact CG-CE2 4.13Å; L66-V140 HydrophobicContact CD1-CG1 3.73Å; L66-V144 HydrophobicContact CB-CG2 4.11Å; L66-V144 HydrophobicContact CD1-CG2 4.2Å; L66-V144 HydrophobicContact CG-CG2 4.37Å; L66-V144 WeakPolarHBondContact O-CG1 3.32Å; L66-Q148 PolarHBondContact O-NE2 3.05Å
67	S	94.6	Very high	94.8	Very high	50 Å²	50	74.8 Å²	74.8	35%	0.35	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-72.9	167.9	167.5	62.3	0	0	0	0	111.1	V69 E70 L71	S67-V69 PolarHBondContact O-N 2.93Å; S67-E70 WeakPolarHBondContact CB-OE2 3.23Å; S67-E70 PolarHBondContact N-OE2 2.79Å; S67-E70 PolarHBondContact O-N 3.33Å; S67-E70 VanDerWaalsContact O-N 3.13Å; S67-E70 WeakPolarHBondContact OG-CG 3.47Å; S67-E70 PolarHBondContact OG-N 2.58Å; S67-E70 PolarHBondContact OG-OE2 2.92Å; S67-L71 WeakPolarHBondContact O-CB 3.42Å; S67-L71 WeakPolarHBondContact O-CG 3.41Å; S67-L71 PolarHBondContact O-N 3.46Å
68	N	93.3	Very high	95.1	Very high	125 Å²	125	70.4 Å²	70.4	67%	0.668	33%	0.333	S	S	*	.	H	α-helix	trans	-57	-36.3	176	-67.8	-20.9	0	0	0	112.6	L71 Q72	N68-L71 PolarHBondContact O-N 2.83Å; N68-Q72 WeakPolarHBondContact O-CG 3.34Å; N68-Q72 PolarHBondContact O-N 3.02Å; N68-Q72 VanDerWaalsContact O-N 3.1Å
69	V	95.5	Very high	95.3	Very high	86 Å²	86	72.6 Å²	72.6	52%	0.521	34%	0.343	S	S	.	.	H	α-helix	trans	-67.8	-47.3	176.1	-179.5	0	0	0	0	110.5	S67 L71 Q72 E73	S67-V69 PolarHBondContact O-N 2.93Å; V69-L71 VanDerWaalsContact C-N 3.26Å; V69-L71 PolarHBondContact O-N 2.98Å; V69-Q72 WeakPolarHBondContact O-CB 3.49Å; V69-Q72 PolarHBondContact O-N 3.13Å; V69-Q72 VanDerWaalsContact O-N 3.12Å; V69-E73 WeakPolarHBondContact O-CG 3.43Å; V69-E73 PolarHBondContact O-N 3.33Å
70	E	96.3	Very high	95.5	Very high	37 Å²	37	74.6 Å²	74.6	17%	0.173	35%	0.345	C	S	.	.	H	α-helix	trans	-65.8	-28.6	178.1	-68.1	166.6	126.8	0	0	112.4	L66 S67 F74 K108	L66-E70 HydrophobicContact CB-CB 4.22Å; L66-E70 HydrophobicContact CD2-CB 3.79Å; S67-E70 WeakPolarHBondContact CB-OE2 3.23Å; S67-E70 PolarHBondContact N-OE2 2.79Å; S67-E70 PolarHBondContact O-N 3.33Å; S67-E70 VanDerWaalsContact O-N 3.13Å; S67-E70 WeakPolarHBondContact OG-CG 3.47Å; S67-E70 PolarHBondContact OG-N 2.58Å; S67-E70 PolarHBondContact OG-OE2 2.92Å; E70-F74 VanDerWaalsContact O-CB 3.24Å; E70-F74 WeakPolarHBondContact O-CB 3.24Å; E70-F74 PolarHBondContact O-N 3.04Å; E70-K108 WeakPolarHBondContact OE1-CD 3.33Å; E70-K108 WeakPolarHBondContact OE1-CE 3.5Å; E70-K108 IonicContact OE1-NZ 3.64Å; E70-K108 PolarHBondContact OE1-NZ 2.82Å; E70-K108 IonicContact OE2-NZ 2.71Å; E70-K108 PolarHBondContact OE2-NZ 3.45Å
71	L	96.5	Very high	95.6	Very high	8 Å²	8	68.7 Å²	68.7	4%	0.042	32%	0.323	C	S	.	.	H	α-helix	trans	-68.7	-40.7	171.7	-75.9	163.1	0	0	0	111.5	L66 S67 N68 V69 F74 W75 F137 V140 M141 V144	L66-L71 HydrophobicContact CB-CD2 3.98Å; L66-L71 HydrophobicContact CB-CG 3.84Å; L66-L71 HydrophobicContact CD1-CD2 3.83Å; S67-L71 WeakPolarHBondContact O-CB 3.42Å; S67-L71 WeakPolarHBondContact O-CG 3.41Å; S67-L71 PolarHBondContact O-N 3.46Å; N68-L71 PolarHBondContact O-N 2.83Å; V69-L71 VanDerWaalsContact C-N 3.26Å; V69-L71 PolarHBondContact O-N 2.98Å; L71-F74 WeakPolarHBondContact O-CB 3.42Å; L71-F74 PolarHBondContact O-N 2.99Å; L71-W75 PolarHBondContact O-N 3.02Å; L71-F137 WeakPolarHBondContact O-CE2 3.46Å; L71-V140 HydrophobicContact CD2-CG1 4.3Å; L71-M141 HydrophobicContact CB-SD 4.15Å; L71-M141 HydrophobicContact CD1-CE 4.33Å; L71-M141 HydrophobicContact CD1-SD 3.45Å; L71-M141 WeakPolarHBondContact CD1-SD 3.49Å; L71-M141 HydrophobicContact CD2-CG 4.4Å; L71-M141 HydrophobicContact CD2-SD 3.58Å; L71-M141 VanDerWaalsContact CD2-SD 3.58Å; L71-M141 HydrophobicContact CG-SD 3.9Å; L71-V144 HydrophobicContact CD1-CG1 4.4Å; L71-V144 HydrophobicContact CD2-CG2 4.45Å
72	Q	96.6	Very high	95.7	Very high	119 Å²	119	67.3 Å²	67.3	56%	0.556	32%	0.318	S	S	*	.	H	α-helix	trans	-63.6	-44.7	172.8	-72.2	178.3	-14.4	0	0	111.7	N68 V69 F74 W75 Y76	N68-Q72 WeakPolarHBondContact O-CG 3.34Å; N68-Q72 PolarHBondContact O-N 3.02Å; N68-Q72 VanDerWaalsContact O-N 3.1Å; V69-Q72 WeakPolarHBondContact O-CB 3.49Å; V69-Q72 PolarHBondContact O-N 3.13Å; V69-Q72 VanDerWaalsContact O-N 3.12Å; Q72-F74 VanDerWaalsContact C-N 3.27Å; Q72-F74 PolarHBondContact O-N 2.83Å; Q72-W75 WeakPolarHBondContact O-CB 3.29Å; Q72-W75 PolarHBondContact O-N 3.24Å; Q72-W75 VanDerWaalsContact O-N 3.15Å; Q72-Y76 HydrophobicContact CB-CE2 4.37Å; Q72-Y76 WeakPolarHBondContact O-CD2 3.23Å; Q72-Y76 PolarHBondContact O-N 3.01Å
73	E	97	Very high	95.8	Very high	108 Å²	108	64.6 Å²	64.6	51%	0.505	30%	0.299	S	S	.	.	H	α-helix	trans	-58.6	-41.2	173.6	-69.5	176.8	170.9	0	0	111.8	V69 Y76 L77	V69-E73 WeakPolarHBondContact O-CG 3.43Å; V69-E73 PolarHBondContact O-N 3.33Å; E73-Y76 PolarHBondContact O-N 3.18Å; E73-L77 WeakPolarHBondContact O-CB 3.33Å; E73-L77 PolarHBondContact O-N 2.98Å
74	F	97.5	Very high	95.7	Very high	4 Å²	4	64.1 Å²	64.1	2%	0.018	30%	0.303	C	S	.	.	H	α-helix	trans	-61.5	-42.5	175	178.3	-109.9	0	0	0	111.8	E70 L71 Q72 L77 L78 A109 F113 F136 F137 V140	E70-F74 VanDerWaalsContact O-CB 3.24Å; E70-F74 WeakPolarHBondContact O-CB 3.24Å; E70-F74 PolarHBondContact O-N 3.04Å; L71-F74 WeakPolarHBondContact O-CB 3.42Å; L71-F74 PolarHBondContact O-N 2.99Å; Q72-F74 VanDerWaalsContact C-N 3.27Å; Q72-F74 PolarHBondContact O-N 2.83Å; F74-L77 WeakPolarHBondContact O-CB 3.37Å; F74-L77 PolarHBondContact O-N 3.4Å; F74-L78 HydrophobicContact CD1-CD1 4.3Å; F74-L78 HydrophobicContact CE1-CD1 3.72Å; F74-L78 HydrophobicContact CE1-CG 4.33Å; F74-L78 HydrophobicContact CE2-CD2 4.22Å; F74-L78 HydrophobicContact CE2-CG 4.42Å; F74-L78 HydrophobicContact CZ-CD1 3.87Å; F74-L78 HydrophobicContact CZ-CD2 4.14Å; F74-L78 HydrophobicContact CZ-CG 4.19Å; F74-L78 WeakPolarHBondContact O-CG 3.42Å; F74-L78 PolarHBondContact O-N 3.01Å; F74-A109 HydrophobicContact CD2-CB 3.96Å; F74-F113 HydrophobicContact CD2-CE2 4.18Å; F74-F113 HydrophobicContact CD2-CZ 4.41Å; F74-F113 HydrophobicContact CE2-CD2 4.46Å; F74-F113 AromaticContact CE2-CE2 3.5Å; F74-F113 HydrophobicContact CE2-CE2 3.5Å; F74-F113 VanDerWaalsContact CE2-CE2 3.5Å; F74-F113 AromaticContact CE2-CZ 3.63Å; F74-F113 HydrophobicContact CE2-CZ 3.63Å; F74-F113 HydrophobicContact CZ-CZ 4.46Å; F74-F136 HydrophobicContact CE2-CE1 4.23Å; F74-F136 HydrophobicContact CE2-CZ 4.38Å; F74-F136 HydrophobicContact CZ-CD1 4.16Å; F74-F136 AromaticContact CZ-CE1 3.68Å; F74-F136 HydrophobicContact CZ-CE1 3.68Å; F74-F136 HydrophobicContact CZ-CE2 4.39Å; F74-F136 AromaticContact CZ-CZ 3.81Å; F74-F136 HydrophobicContact CZ-CZ 3.81Å; F74-F137 AromaticContact CD1-CD2 3.71Å; F74-F137 HydrophobicContact CD1-CD2 3.71Å; F74-F137 HydrophobicContact CD1-CE2 4.09Å; F74-F137 HydrophobicContact CE1-CD2 4.03Å; F74-V140 HydrophobicContact CD1-CB 4.47Å; F74-V140 HydrophobicContact CD1-CG1 4.28Å; F74-V140 HydrophobicContact CE1-CB 3.73Å; F74-V140 HydrophobicContact CE1-CG1 3.93Å; F74-V140 HydrophobicContact CE1-CG2 3.71Å; F74-V140 HydrophobicContact CZ-CB 4.21Å; F74-V140 HydrophobicContact CZ-CG1 4.37Å; F74-V140 HydrophobicContact CZ-CG2 3.66Å
75	W	97.6	Very high	95.6	Very high	66 Å²	66	61 Å²	61	25%	0.25	30%	0.3	C	S	.	.	H	α-helix	trans	-58.9	-49.9	173.7	177	-105	0	0	0	112.2	L71 Q72 L77 L78 E79 I133 L134 F137	L71-W75 PolarHBondContact O-N 3.02Å; Q72-W75 WeakPolarHBondContact O-CB 3.29Å; Q72-W75 PolarHBondContact O-N 3.24Å; Q72-W75 VanDerWaalsContact O-N 3.15Å; W75-L77 VanDerWaalsContact C-N 3.27Å; W75-L77 PolarHBondContact O-N 3.37Å; W75-L78 WeakPolarHBondContact O-CB 3.46Å; W75-L78 PolarHBondContact O-N 3.15Å; W75-E79 HydrophobicContact CD2-CG 4.35Å; W75-E79 HydrophobicContact CZ2-CG 4.05Å; W75-E79 VanDerWaalsContact NE1-CD 3.25Å; W75-E79 PolarHBondContact NE1-OE2 3.37Å; W75-E79 PolarHBondContact O-N 3.13Å; W75-I133 HydrophobicContact CH2-CD1 4.43Å; W75-I133 HydrophobicContact CH2-CG1 4.36Å; W75-I133 HydrophobicContact CZ3-CG1 4.41Å; W75-L134 HydrophobicContact CH2-CB 4.33Å; W75-L134 HydrophobicContact CH2-CD1 4.02Å; W75-L134 HydrophobicContact CZ3-CB 4.4Å; W75-L134 HydrophobicContact CZ3-CD1 4Å; W75-F137 HydrophobicContact CB-CD2 4.05Å; W75-F137 HydrophobicContact CB-CE2 3.8Å; W75-F137 HydrophobicContact CB-CZ 4.39Å; W75-F137 HydrophobicContact CE3-CB 3.71Å; W75-F137 AromaticContact CE3-CD1 4Å; W75-F137 HydrophobicContact CE3-CD1 4Å; W75-F137 AromaticContact CE3-CD2 3.75Å; W75-F137 HydrophobicContact CE3-CD2 3.75Å; W75-F137 HydrophobicContact CE3-CE2 4.4Å; W75-F137 AromaticContact CE3-CG 3.52Å; W75-F137 HydrophobicContact CE3-CG 3.52Å; W75-F137 HydrophobicContact CZ3-CB 3.77Å; W75-F137 HydrophobicContact CZ3-CD1 4.35Å; W75-F137 HydrophobicContact CZ3-CG 4.01Å
76	Y	97.2	Very high	95.5	Very high	150 Å²	150	63.8 Å²	63.8	59%	0.588	32%	0.317	S	S	*	.	H	α-helix	trans	-60.6	-37	178.6	-67.1	-55.3	0	0	0	112.7	Q72 E73 L78 E79 R80	Q72-Y76 HydrophobicContact CB-CE2 4.37Å; Q72-Y76 WeakPolarHBondContact O-CD2 3.23Å; Q72-Y76 PolarHBondContact O-N 3.01Å; E73-Y76 PolarHBondContact O-N 3.18Å; Y76-L78 VanDerWaalsContact C-N 3.34Å; Y76-E79 PolarHBondContact O-N 3.15Å; Y76-R80 WeakPolarHBondContact O-CB 3.44Å; Y76-R80 PolarHBondContact O-N 3.44Å
77	L	97.7	Very high	95.1	Very high	21 Å²	21	66.7 Å²	66.7	11%	0.11	34%	0.335	C	S	.	.	H	α-helix	trans	-60.6	-44.3	173.5	-179.4	71.1	0	0	0	111.2	E73 F74 W75 R80 Y81 A101 E104 A105 F113	E73-L77 WeakPolarHBondContact O-CB 3.33Å; E73-L77 PolarHBondContact O-N 2.98Å; F74-L77 WeakPolarHBondContact O-CB 3.37Å; F74-L77 PolarHBondContact O-N 3.4Å; W75-L77 VanDerWaalsContact C-N 3.27Å; W75-L77 PolarHBondContact O-N 3.37Å; L77-R80 PolarHBondContact O-N 3.49Å; L77-Y81 HydrophobicContact CD1-CD2 3.77Å; L77-Y81 HydrophobicContact CD1-CE2 3.78Å; L77-Y81 HydrophobicContact CG-CD2 4.38Å; L77-Y81 WeakPolarHBondContact O-CD2 3.33Å; L77-Y81 PolarHBondContact O-N 2.75Å; L77-A101 HydrophobicContact CG-CB 4.32Å; L77-E104 HydrophobicContact CD1-CB 3.84Å; L77-A105 HydrophobicContact CD2-CB 3.77Å; L77-F113 HydrophobicContact CD2-CE2 4.31Å; L77-F113 HydrophobicContact CD2-CZ 4.11Å
78	L	97.4	Very high	94.8	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-65.1	-41.7	177.9	-63.6	-176.5	0	0	0	112.1	F74 W75 Y76 R80 Y81 H82 M93 F113 I133 F136 F137	F74-L78 HydrophobicContact CD1-CD1 4.3Å; F74-L78 HydrophobicContact CE1-CD1 3.72Å; F74-L78 HydrophobicContact CE1-CG 4.33Å; F74-L78 HydrophobicContact CE2-CD2 4.22Å; F74-L78 HydrophobicContact CE2-CG 4.42Å; F74-L78 HydrophobicContact CZ-CD1 3.87Å; F74-L78 HydrophobicContact CZ-CD2 4.14Å; F74-L78 HydrophobicContact CZ-CG 4.19Å; F74-L78 WeakPolarHBondContact O-CG 3.42Å; F74-L78 PolarHBondContact O-N 3.01Å; W75-L78 WeakPolarHBondContact O-CB 3.46Å; W75-L78 PolarHBondContact O-N 3.15Å; Y76-L78 VanDerWaalsContact C-N 3.34Å; L78-R80 VanDerWaalsContact C-N 3.31Å; L78-R80 PolarHBondContact O-N 3.24Å; L78-Y81 PolarHBondContact O-N 2.84Å; L78-H82 PolarHBondContact O-N 3.08Å; L78-M93 HydrophobicContact CB-CE 4.18Å; L78-M93 HydrophobicContact CD2-CE 3.77Å; L78-M93 WeakPolarHBondContact O-CE 3.32Å; L78-F113 HydrophobicContact CD2-CE1 4.2Å; L78-F113 HydrophobicContact CD2-CZ 3.99Å; L78-I133 HydrophobicContact CB-CB 4.28Å; L78-I133 HydrophobicContact CB-CD1 4.47Å; L78-F136 HydrophobicContact CD1-CD1 3.91Å; L78-F136 HydrophobicContact CD2-CD1 3.66Å; L78-F136 HydrophobicContact CD2-CE1 3.74Å; L78-F136 HydrophobicContact CG-CD1 4.46Å; L78-F137 HydrophobicContact CD1-CB 4.07Å
79	E	96.2	Very high	94.7	Very high	56 Å²	56	69.3 Å²	69.3	26%	0.262	36%	0.36	S	S	.	.	H	α-helix	trans	-63	-37.5	176.8	-68.6	-157.9	115.1	0	0	112.6	W75 Y76 Y81 H82 K91 I133	W75-E79 HydrophobicContact CD2-CG 4.35Å; W75-E79 HydrophobicContact CZ2-CG 4.05Å; W75-E79 VanDerWaalsContact NE1-CD 3.25Å; W75-E79 PolarHBondContact NE1-OE2 3.37Å; W75-E79 PolarHBondContact O-N 3.13Å; Y76-E79 PolarHBondContact O-N 3.15Å; E79-Y81 VanDerWaalsContact C-N 3.3Å; E79-Y81 PolarHBondContact O-N 3.15Å; E79-H82 PolarHBondContact O-ND1 2.98Å; E79-K91 IonicContact OE1-NZ 3.37Å; E79-K91 PolarHBondContact OE1-NZ 3.17Å; E79-I133 HydrophobicContact CG-CD1 4.27Å
80	R	96.5	Very high	94.5	Very high	168 Å²	168	69.1 Å²	69.1	63%	0.634	35%	0.354	S	S	*	.	H	α-helix	trans	-66.3	-32.1	177.8	-177.5	173.8	174.7	-151.1	-13.7	113	Y76 L77 L78 E104	Y76-R80 WeakPolarHBondContact O-CB 3.44Å; Y76-R80 PolarHBondContact O-N 3.44Å; L77-R80 PolarHBondContact O-N 3.49Å; L78-R80 VanDerWaalsContact C-N 3.31Å; L78-R80 PolarHBondContact O-N 3.24Å; R80-E104 IonicContact CZ-OE2 2.97Å; R80-E104 IonicContact NH1-OE1 2.83Å; R80-E104 IonicContact NH1-OE2 3.55Å; R80-E104 PolarHBondContact NH1-OE2 3.14Å; R80-E104 IonicContact NH2-OE1 3.39Å; R80-E104 IonicContact NH2-OE2 3.42Å
81	Y	96.5	Very high	94.5	Very high	34 Å²	34	70.5 Å²	70.5	13%	0.133	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	17.9	-174.4	-78.7	-74.7	0	0	0	113.8	L77 L78 E79 M93 N97 K100 A101 E104	L77-Y81 HydrophobicContact CD1-CD2 3.77Å; L77-Y81 HydrophobicContact CD1-CE2 3.78Å; L77-Y81 HydrophobicContact CG-CD2 4.38Å; L77-Y81 WeakPolarHBondContact O-CD2 3.33Å; L77-Y81 PolarHBondContact O-N 2.75Å; L78-Y81 PolarHBondContact O-N 2.84Å; E79-Y81 VanDerWaalsContact C-N 3.3Å; E79-Y81 PolarHBondContact O-N 3.15Å; Y81-M93 WeakPolarHBondContact O-CG 3.17Å; Y81-N97 VanDerWaalsContact O-CB 3.24Å; Y81-N97 WeakPolarHBondContact O-CB 3.49Å; Y81-K100 HydrophobicContact CD1-CB 3.77Å; Y81-K100 HydrophobicContact CE1-CB 3.5Å; Y81-K100 HydrophobicContact CE1-CD 4.38Å; Y81-A101 HydrophobicContact CD2-CB 3.87Å; Y81-A101 HydrophobicContact CG-CB 3.87Å; Y81-E104 HydrophobicContact CE2-CB 4.46Å; Y81-E104 HydrophobicContact CE2-CG 4.48Å; Y81-E104 PolarHBondContact OH-OE1 3.32Å; Y81-E104 PolarHBondContact OH-OE2 3.47Å
82	H	95.1	Very high	94.5	Very high	60 Å²	60	70.8 Å²	70.8	28%	0.278	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-68.9	147.9	175.6	81.3	-81.3	0	0	0	112.1	L78 E79 K91 F92 I133	L78-H82 PolarHBondContact O-N 3.08Å; E79-H82 PolarHBondContact O-ND1 2.98Å; H82-K91 HydrophobicContact CB-CB 4.16Å; H82-F92 CarbonylContact C-O 3.46Å; H82-F92 WeakPolarHBondContact CA-O 3.37Å; H82-F92 WeakPolarHBondContact CB-O 3.45Å; H82-I133 HydrophobicContact CB-CG2 4.48Å
83	S	94.2	Very high	94.5	Very high	3 Å²	3	65.2 Å²	65.2	2%	0.021	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	120.9	177.4	-57.3	0	0	0	0	110.7	F92 D94 N97 R130	S83-F92 PolarHBondContact N-O 3.37Å; S83-D94 VanDerWaalsContact CB-OD2 3.29Å; S83-D94 WeakPolarHBondContact CB-OD2 3.32Å; S83-D94 PolarHBondContact OG-N 2.65Å; S83-D94 PolarHBondContact OG-OD2 3.25Å; S83-N97 PolarHBondContact OG-ND2 3.12Å; S83-R130 PolarHBondContact O-NH1 3.14Å
84	P	90.8	Very high	94.4	Very high	102 Å²	102	62.2 Å²	62.2	66%	0.662	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	160	174.1	26.5	-32.7	0	0	0	112.1	R130	P84-R130 PolarHBondContact O-NH1 2.9Å
85	P	91.9	Very high	94.4	Very high	71 Å²	71	66.7 Å²	66.7	46%	0.461	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-81.4	149.5	-1.6	33.3	-35.3	0	0	0	112.6	R130	P85-R130 PolarHBondContact O-NH1 3.49Å
86	T	90.5	Very high	94.3	Very high	70 Å²	70	69.4 Å²	69.4	43%	0.429	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	133.4	162	-52.8	0	0	0	0	108.4	E90 K91	T86-E90 WeakPolarHBondContact CA-O 3.47Å; T86-E90 WeakPolarHBondContact CG2-O 3.35Å; T86-K91 HydrophobicContact CG2-CG 4.38Å
87	V	88.6	Confident	94.3	Very high	62 Å²	62	63.7 Å²	63.7	38%	0.376	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.1	-178.7	-177.4	0	0	0	0	108.1	G89 E90 F92	V87-G89 PolarHBondContact O-N 2.99Å; V87-G89 VanDerWaalsContact O-N 3.1Å; V87-E90 PolarHBondContact N-O 2.88Å; V87-E90 VanDerWaalsContact N-O 3.08Å; V87-E90 WeakPolarHBondContact O-CA 3.19Å; V87-E90 WeakPolarHBondContact O-CB 3.44Å; V87-E90 PolarHBondContact O-N 2.87Å; V87-F92 HydrophobicContact CB-CE2 4.16Å
88	N	88.7	Confident	94.3	Very high	167 Å²	167	62.8 Å²	62.8	89%	0.893	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	33.2	-179.2	-59	-22.1	0	0	0	114.3	E90	N88-E90 PolarHBondContact O-N 2.8Å
89	G	89.8	Confident	94.3	Very high	63 Å²	63	70 Å²	70	65%	0.649	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	-9.7	-175.7	0	0	0	0	0	114.9	V87	V87-G89 PolarHBondContact O-N 2.99Å; V87-G89 VanDerWaalsContact O-N 3.1Å
90	E	92.9	Very high	94.3	Very high	83 Å²	83	71.2 Å²	71.2	39%	0.388	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	134	175.3	-60.8	-166.9	163.9	0	0	111.7	T86 V87 N88 F92 N132	T86-E90 WeakPolarHBondContact CA-O 3.47Å; T86-E90 WeakPolarHBondContact CG2-O 3.35Å; V87-E90 PolarHBondContact N-O 2.88Å; V87-E90 VanDerWaalsContact N-O 3.08Å; V87-E90 WeakPolarHBondContact O-CA 3.19Å; V87-E90 WeakPolarHBondContact O-CB 3.44Å; V87-E90 PolarHBondContact O-N 2.87Å; N88-E90 PolarHBondContact O-N 2.8Å; E90-F92 HydrophobicContact CB-CD2 4.48Å; E90-F92 HydrophobicContact CB-CE2 3.64Å; E90-F92 HydrophobicContact CB-CZ 4.05Å; E90-F92 WeakPolarHBondContact O-CD2 3.31Å; E90-F92 WeakPolarHBondContact OE2-CZ 3.03Å; E90-N132 VanDerWaalsContact CD-ND2 3.27Å; E90-N132 PolarHBondContact OE2-ND2 3.1Å
91	K	95.5	Very high	94.4	Very high	65 Å²	65	63.2 Å²	63.2	28%	0.283	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	137.2	177.9	-63.3	175.4	-171.9	175.7	0	109.7	E79 H82 T86 I133	E79-K91 IonicContact OE1-NZ 3.37Å; E79-K91 PolarHBondContact OE1-NZ 3.17Å; H82-K91 HydrophobicContact CB-CB 4.16Å; T86-K91 HydrophobicContact CG2-CG 4.38Å; K91-I133 HydrophobicContact CB-CD1 3.5Å; K91-I133 HydrophobicContact CB-CG1 3.82Å; K91-I133 HydrophobicContact CD-CD1 3.85Å; K91-I133 HydrophobicContact CG-CD1 4.32Å; K91-I133 PolarHBondContact O-N 2.84Å
92	F	96.4	Very high	94.4	Very high	15 Å²	15	62.4 Å²	62.4	7%	0.066	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	161.7	-177.1	-67.9	-93.2	0	0	0	111	H82 S83 V87 E90 R130 I131 N132	H82-F92 CarbonylContact C-O 3.46Å; H82-F92 WeakPolarHBondContact CA-O 3.37Å; H82-F92 WeakPolarHBondContact CB-O 3.45Å; S83-F92 PolarHBondContact N-O 3.37Å; V87-F92 HydrophobicContact CB-CE2 4.16Å; E90-F92 HydrophobicContact CB-CD2 4.48Å; E90-F92 HydrophobicContact CB-CE2 3.64Å; E90-F92 HydrophobicContact CB-CZ 4.05Å; E90-F92 WeakPolarHBondContact O-CD2 3.31Å; E90-F92 WeakPolarHBondContact OE2-CZ 3.03Å; F92-R130 HydrophobicContact CB-CB 3.79Å; F92-R130 HydrophobicContact CB-CG 4.47Å; F92-R130 HydrophobicContact CD1-CB 4.34Å; F92-R130 HydrophobicContact CG-CB 4.47Å; F92-I131 CarbonylContact C-O 3.54Å; F92-I131 VanDerWaalsContact CA-O 3.22Å; F92-I131 WeakPolarHBondContact CA-O 3.49Å; F92-N132 HydrophobicContact CD1-CB 4.1Å; F92-N132 HydrophobicContact CE1-CB 3.83Å; F92-N132 HydrophobicContact CZ-CB 4.46Å
93	M	96.2	Very high	94.5	Very high	1 Å²	1	67.2 Å²	67.2	1%	0.005	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	124	177.9	-174	179.8	-56.6	0	0	109.9	L78 Y81 N97 F98 A101 R130 I131 I133	L78-M93 HydrophobicContact CB-CE 4.18Å; L78-M93 HydrophobicContact CD2-CE 3.77Å; L78-M93 WeakPolarHBondContact O-CE 3.32Å; Y81-M93 WeakPolarHBondContact O-CG 3.17Å; M93-N97 HydrophobicContact CG-CB 3.88Å; M93-F98 HydrophobicContact CG-CB 4.3Å; M93-F98 WeakPolarHBondContact SD-CA 3.46Å; M93-F98 HydrophobicContact SD-CB 4.01Å; M93-F98 HydrophobicContact SD-CD2 4.24Å; M93-A101 HydrophobicContact SD-CB 4.38Å; M93-R130 WeakPolarHBondContact O-CA 3.27Å; M93-I131 HydrophobicContact CB-CG1 4.41Å; M93-I131 PolarHBondContact N-O 2.78Å; M93-I131 PolarHBondContact O-N 3.29Å; M93-I133 HydrophobicContact CB-CG2 3.8Å; M93-I133 HydrophobicContact CE-CG2 3.92Å
94	D	95.8	Very high	94.6	Very high	46 Å²	46	71.5 Å²	71.5	25%	0.246	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	169.9	171.1	63.8	49.2	0	0	0	111.6	S83 E96 N97 F98 R130	S83-D94 VanDerWaalsContact CB-OD2 3.29Å; S83-D94 WeakPolarHBondContact CB-OD2 3.32Å; S83-D94 PolarHBondContact OG-N 2.65Å; S83-D94 PolarHBondContact OG-OD2 3.25Å; D94-E96 VanDerWaalsContact C-N 3.27Å; D94-E96 PolarHBondContact O-N 2.86Å; D94-E96 WeakPolarHBondContact OD1-CA 3.39Å; D94-E96 WeakPolarHBondContact OD1-CB 3.38Å; D94-E96 PolarHBondContact OD1-N 3.02Å; D94-N97 PolarHBondContact O-N 2.89Å; D94-N97 PolarHBondContact OD1-N 3.5Å; D94-F98 WeakPolarHBondContact O-CB 3.43Å; D94-F98 PolarHBondContact O-N 3.32Å; D94-R130 HydrophobicContact CB-CG 4.1Å
95	Y	96.5	Very high	94.8	Very high	97 Å²	97	67.2 Å²	67.2	38%	0.38	34%	0.343	S	S	.	.	H	α-helix	trans	-66.7	-26.8	-177.7	-170.2	-118	0	0	0	113.5	F98 R99 A115 F118	Y95-F98 HydrophobicContact CD2-CD1 4.17Å; Y95-F98 HydrophobicContact CE2-CD1 4.13Å; Y95-R99 HydrophobicContact CE1-CG 4.21Å; Y95-R99 HydrophobicContact CE2-CG 4.42Å; Y95-R99 WeakPolarHBondContact O-CG 3.48Å; Y95-R99 PolarHBondContact O-N 2.87Å; Y95-A115 HydrophobicContact CE2-CB 4.49Å; Y95-F118 HydrophobicContact CD2-CB 4.14Å; Y95-F118 AromaticContact CD2-CD1 3.78Å; Y95-F118 HydrophobicContact CD2-CD1 3.78Å; Y95-F118 AromaticContact CD2-CD2 3.83Å; Y95-F118 HydrophobicContact CD2-CD2 3.83Å; Y95-F118 HydrophobicContact CD2-CE1 4.13Å; Y95-F118 HydrophobicContact CD2-CE2 4.16Å; Y95-F118 AromaticContact CD2-CG 3.63Å; Y95-F118 HydrophobicContact CD2-CG 3.63Å; Y95-F118 HydrophobicContact CD2-CZ 4.31Å; Y95-F118 HydrophobicContact CE2-CB 4.24Å; Y95-F118 HydrophobicContact CE2-CG 4.23Å; Y95-F118 HydrophobicContact CG-CD1 4.48Å; Y95-F118 HydrophobicContact CG-CE1 4.43Å
96	E	96.3	Very high	95	Very high	124 Å²	124	65.4 Å²	65.4	58%	0.579	33%	0.332	S	S	*	.	H	α-helix	trans	-69.4	-49	178.8	-168.4	-170.4	146.1	0	0	110.4	D94 F98 R99 K100	D94-E96 VanDerWaalsContact C-N 3.27Å; D94-E96 PolarHBondContact O-N 2.86Å; D94-E96 WeakPolarHBondContact OD1-CA 3.39Å; D94-E96 WeakPolarHBondContact OD1-CB 3.38Å; D94-E96 PolarHBondContact OD1-N 3.02Å; E96-F98 VanDerWaalsContact C-N 3.33Å; E96-R99 PolarHBondContact O-N 3.05Å; E96-K100 WeakPolarHBondContact O-CG 3.4Å; E96-K100 PolarHBondContact O-N 2.99Å; E96-K100 WeakPolarHBondContact OE1-CE 3.1Å; E96-K100 IonicContact OE1-NZ 3.7Å; E96-K100 PolarHBondContact OE1-NZ 2.82Å
97	N	96.9	Very high	95.2	Very high	29 Å²	29	68 Å²	68	16%	0.155	35%	0.35	C	S	.	.	H	α-helix	trans	-67.9	-33.6	176.1	-78	-17.4	0	0	0	112	Y81 S83 M93 D94 R99 K100 A101	Y81-N97 VanDerWaalsContact O-CB 3.24Å; Y81-N97 WeakPolarHBondContact O-CB 3.49Å; S83-N97 PolarHBondContact OG-ND2 3.12Å; M93-N97 HydrophobicContact CG-CB 3.88Å; D94-N97 PolarHBondContact O-N 2.89Å; D94-N97 PolarHBondContact OD1-N 3.5Å; N97-R99 VanDerWaalsContact C-N 3.29Å; N97-R99 PolarHBondContact O-N 3.39Å; N97-K100 PolarHBondContact O-N 3.4Å; N97-K100 VanDerWaalsContact O-N 3.11Å; N97-K100 PolarHBondContact OD1-NZ 2.98Å; N97-A101 WeakPolarHBondContact O-CB 3.47Å; N97-A101 PolarHBondContact O-N 2.72Å
98	F	97.6	Very high	95.5	Very high	3 Å²	3	67.8 Å²	67.8	1%	0.013	34%	0.344	C	S	.	.	H	α-helix	trans	-57.2	-41.9	169.7	-175	-94.1	0	0	0	112.1	M93 D94 Y95 E96 S102 F113 F118 I131 F136	M93-F98 HydrophobicContact CG-CB 4.3Å; M93-F98 WeakPolarHBondContact SD-CA 3.46Å; M93-F98 HydrophobicContact SD-CB 4.01Å; M93-F98 HydrophobicContact SD-CD2 4.24Å; D94-F98 WeakPolarHBondContact O-CB 3.43Å; D94-F98 PolarHBondContact O-N 3.32Å; Y95-F98 HydrophobicContact CD2-CD1 4.17Å; Y95-F98 HydrophobicContact CE2-CD1 4.13Å; E96-F98 VanDerWaalsContact C-N 3.33Å; F98-S102 WeakPolarHBondContact O-CB 3.48Å; F98-S102 PolarHBondContact O-N 2.95Å; F98-F113 HydrophobicContact CD1-CD1 4.06Å; F98-F113 AromaticContact CD2-CD1 3.81Å; F98-F113 HydrophobicContact CD2-CD1 3.81Å; F98-F113 HydrophobicContact CD2-CE1 4.11Å; F98-F113 HydrophobicContact CE1-CB 3.97Å; F98-F113 AromaticContact CE1-CD1 3.9Å; F98-F113 HydrophobicContact CE1-CD1 3.9Å; F98-F113 HydrophobicContact CE1-CG 4.42Å; F98-F113 AromaticContact CE2-CD1 3.65Å; F98-F113 HydrophobicContact CE2-CD1 3.65Å; F98-F113 HydrophobicContact CE2-CE1 4.18Å; F98-F113 HydrophobicContact CG-CD1 4.04Å; F98-F113 HydrophobicContact CZ-CB 4.08Å; F98-F113 AromaticContact CZ-CD1 3.72Å; F98-F113 HydrophobicContact CZ-CD1 3.72Å; F98-F113 HydrophobicContact CZ-CG 4.26Å; F98-F113 WeakPolarHBondContact O-CD1 3.46Å; F98-F118 HydrophobicContact CB-CD2 3.96Å; F98-F118 HydrophobicContact CB-CE2 4.04Å; F98-F118 HydrophobicContact CD1-CB 4.46Å; F98-F118 HydrophobicContact CD1-CD2 4.05Å; F98-F118 AromaticContact CD2-CD2 3.71Å; F98-F118 HydrophobicContact CD2-CD2 3.71Å; F98-F118 HydrophobicContact CD2-CE2 4.36Å; F98-F118 HydrophobicContact CE1-CB 4.12Å; F98-F118 HydrophobicContact CE1-CD2 4.42Å; F98-F118 HydrophobicContact CE2-CB 4.5Å; F98-F118 HydrophobicContact CE2-CD2 4.1Å; F98-F118 AromaticContact CG-CD2 3.66Å; F98-F118 HydrophobicContact CG-CD2 3.66Å; F98-F118 HydrophobicContact CG-CE2 4.23Å; F98-F118 HydrophobicContact CZ-CB 4.11Å; F98-F118 HydrophobicContact CZ-CD2 4.42Å; F98-I131 HydrophobicContact CD2-CD1 3.83Å; F98-I131 HydrophobicContact CE2-CD1 3.86Å; F98-F136 HydrophobicContact CD2-CE1 4.15Å; F98-F136 HydrophobicContact CE2-CD1 4.08Å; F98-F136 AromaticContact CE2-CE1 3.51Å; F98-F136 HydrophobicContact CE2-CE1 3.51Å; F98-F136 HydrophobicContact CE2-CE2 4.31Å; F98-F136 AromaticContact CE2-CZ 3.65Å; F98-F136 HydrophobicContact CE2-CZ 3.65Å; F98-F136 HydrophobicContact CZ-CE1 4.4Å; F98-F136 HydrophobicContact CZ-CZ 4.14Å
99	R	97.3	Very high	95.8	Very high	151 Å²	151	60 Å²	60	57%	0.57	30%	0.303	S	S	*	.	H	α-helix	trans	-70.9	-33.4	174.8	-71.3	-176.1	74.7	-169.4	5.1	113	Y95 E96 N97 S102 K103	Y95-R99 HydrophobicContact CE1-CG 4.21Å; Y95-R99 HydrophobicContact CE2-CG 4.42Å; Y95-R99 WeakPolarHBondContact O-CG 3.48Å; Y95-R99 PolarHBondContact O-N 2.87Å; E96-R99 PolarHBondContact O-N 3.05Å; N97-R99 VanDerWaalsContact C-N 3.29Å; N97-R99 PolarHBondContact O-N 3.39Å; R99-S102 WeakPolarHBondContact O-CB 3.4Å; R99-K103 WeakPolarHBondContact O-CG 3.44Å; R99-K103 PolarHBondContact O-N 3.3Å
100	K	97.3	Very high	96.1	Very high	81 Å²	81	62.4 Å²	62.4	35%	0.352	30%	0.295	S	S	.	.	H	α-helix	trans	-66.9	-47.6	174.4	-68.9	173.1	-171.9	156.8	0	110.7	Y81 E96 N97 S102 K103 E104	Y81-K100 HydrophobicContact CD1-CB 3.77Å; Y81-K100 HydrophobicContact CE1-CB 3.5Å; Y81-K100 HydrophobicContact CE1-CD 4.38Å; E96-K100 WeakPolarHBondContact O-CG 3.4Å; E96-K100 PolarHBondContact O-N 2.99Å; E96-K100 WeakPolarHBondContact OE1-CE 3.1Å; E96-K100 IonicContact OE1-NZ 3.7Å; E96-K100 PolarHBondContact OE1-NZ 2.82Å; N97-K100 PolarHBondContact O-N 3.4Å; N97-K100 VanDerWaalsContact O-N 3.11Å; N97-K100 PolarHBondContact OD1-NZ 2.98Å; K100-S102 VanDerWaalsContact C-N 3.31Å; K100-S102 PolarHBondContact O-N 3.24Å; K100-K103 WeakPolarHBondContact O-CB 3.36Å; K100-K103 PolarHBondContact O-N 3.12Å; K100-E104 PolarHBondContact O-N 3.13Å
101	A	97.4	Very high	96.2	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-56	-44.8	173.5	0	0	0	0	0	111.6	L77 Y81 M93 N97 K103 E104 A105 F113	L77-A101 HydrophobicContact CG-CB 4.32Å; Y81-A101 HydrophobicContact CD2-CB 3.87Å; Y81-A101 HydrophobicContact CG-CB 3.87Å; M93-A101 HydrophobicContact SD-CB 4.38Å; N97-A101 WeakPolarHBondContact O-CB 3.47Å; N97-A101 PolarHBondContact O-N 2.72Å; A101-K103 PolarHBondContact O-N 3.14Å; A101-K103 VanDerWaalsContact O-N 3.15Å; A101-E104 CarbonylContact O-C 3.58Å; A101-E104 PolarHBondContact O-N 3.34Å; A101-A105 PolarHBondContact O-N 3.39Å; A101-F113 HydrophobicContact CB-CE1 3.65Å; A101-F113 HydrophobicContact CB-CZ 3.9Å
102	S	97.1	Very high	96.2	Very high	18 Å²	18	59.8 Å²	59.8	13%	0.126	28%	0.284	C	S	.	.	H	α-helix	trans	-56.2	-30.1	175.7	-175.8	0	0	0	0	114.5	F98 R99 K100 F113	F98-S102 WeakPolarHBondContact O-CB 3.48Å; F98-S102 PolarHBondContact O-N 2.95Å; R99-S102 WeakPolarHBondContact O-CB 3.4Å; K100-S102 VanDerWaalsContact C-N 3.31Å; K100-S102 PolarHBondContact O-N 3.24Å; S102-F113 VanDerWaalsContact OG-CB 3.31Å; S102-F113 WeakPolarHBondContact OG-CB 3.49Å
103	K	96.8	Very high	96.3	Very high	161 Å²	161	59.9 Å²	59.9	70%	0.7	29%	0.285	S	S	*	.	H	α-helix	trans	-75.8	-30.9	177.9	-69.8	176	-177	-179.4	0	112.7	R99 K100 A101	R99-K103 WeakPolarHBondContact O-CG 3.44Å; R99-K103 PolarHBondContact O-N 3.3Å; K100-K103 WeakPolarHBondContact O-CB 3.36Å; K100-K103 PolarHBondContact O-N 3.12Å; A101-K103 PolarHBondContact O-N 3.14Å; A101-K103 VanDerWaalsContact O-N 3.15Å
104	E	96.6	Very high	96.3	Very high	92 Å²	92	62.7 Å²	62.7	43%	0.43	30%	0.302	S	S	.	.	H	α-helix	trans	-93.4	-11.6	177.1	-71.6	-168.1	-163.4	0	0	113.3	L77 R80 Y81 K100 A101	L77-E104 HydrophobicContact CD1-CB 3.84Å; R80-E104 IonicContact CZ-OE2 2.97Å; R80-E104 IonicContact NH1-OE1 2.83Å; R80-E104 IonicContact NH1-OE2 3.55Å; R80-E104 PolarHBondContact NH1-OE2 3.14Å; R80-E104 IonicContact NH2-OE1 3.39Å; R80-E104 IonicContact NH2-OE2 3.42Å; Y81-E104 HydrophobicContact CE2-CB 4.46Å; Y81-E104 HydrophobicContact CE2-CG 4.48Å; Y81-E104 PolarHBondContact OH-OE1 3.32Å; Y81-E104 PolarHBondContact OH-OE2 3.47Å; K100-E104 PolarHBondContact O-N 3.13Å; A101-E104 CarbonylContact O-C 3.58Å; A101-E104 PolarHBondContact O-N 3.34Å
105	A	95.8	Very high	96.3	Very high	12 Å²	12	62.9 Å²	62.9	10%	0.099	31%	0.31	C	S	.	.	S	Bend	trans	-61.5	144.3	177.6	0	0	0	0	0	112.3	L77 A101 A109 F113	L77-A105 HydrophobicContact CD2-CB 3.77Å; A101-A105 PolarHBondContact O-N 3.39Å; A105-A109 HydrophobicContact CB-CB 4.12Å; A105-F113 HydrophobicContact CB-CD2 3.92Å; A105-F113 HydrophobicContact CB-CE2 3.54Å; A105-F113 HydrophobicContact CB-CZ 4.44Å
106	S	95.1	Very high	96.4	Very high	34 Å²	34	61.8 Å²	61.8	24%	0.238	32%	0.321	C	S	.	.			trans	-56.8	155.4	172.1	75.6	0	0	0	0	111.1	K108 A109 K110	S106-K108 PolarHBondContact O-N 2.93Å; S106-K108 VanDerWaalsContact O-N 3.09Å; S106-A109 PolarHBondContact O-N 3.02Å; S106-A109 WeakPolarHBondContact OG-CB 3.46Å; S106-A109 PolarHBondContact OG-N 3.19Å; S106-K110 WeakPolarHBondContact O-CB 3.32Å; S106-K110 PolarHBondContact O-N 2.83Å
107	P	94.1	Very high	96.4	Very high	124 Å²	124	56.2 Å²	56.2	81%	0.805	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-36.1	179.3	-27.8	35.1	0	0	0	113.3
108	K	95	Very high	96.4	Very high	58 Å²	58	55.4 Å²	55.4	25%	0.252	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-42.9	176	-58.7	-172	-165.2	172.2	0	112.6	L63 L65 L66 E70 S106 K110 Q111	L63-K108 WeakPolarHBondContact O-CE 3.4Å; L63-K108 PolarHBondContact O-NZ 3.22Å; L63-K108 VanDerWaalsContact O-NZ 3.12Å; L65-K108 VanDerWaalsContact O-CD 3.31Å; L65-K108 WeakPolarHBondContact O-CD 3.32Å; L65-K108 PolarHBondContact O-NZ 3.49Å; L65-K108 VanDerWaalsContact O-NZ 3.08Å; L66-K108 HydrophobicContact CD2-CB 3.7Å; L66-K108 HydrophobicContact CG-CB 4.48Å; E70-K108 WeakPolarHBondContact OE1-CD 3.33Å; E70-K108 WeakPolarHBondContact OE1-CE 3.5Å; E70-K108 IonicContact OE1-NZ 3.64Å; E70-K108 PolarHBondContact OE1-NZ 2.82Å; E70-K108 IonicContact OE2-NZ 2.71Å; E70-K108 PolarHBondContact OE2-NZ 3.45Å; S106-K108 PolarHBondContact O-N 2.93Å; S106-K108 VanDerWaalsContact O-N 3.09Å; K108-K110 VanDerWaalsContact C-N 3.31Å; K108-K110 PolarHBondContact O-N 2.7Å; K108-Q111 VanDerWaalsContact O-CG 3.23Å; K108-Q111 WeakPolarHBondContact O-CG 3.36Å; K108-Q111 PolarHBondContact O-NE2 3.39Å
109	A	95.9	Very high	96.2	Very high	2 Å²	2	60 Å²	60	2%	0.017	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-70.8	-30.1	-178.8	0	0	0	0	0	112.1	L66 F74 A105 S106 Q111 Y112	L66-A109 HydrophobicContact CD1-CB 4.42Å; L66-A109 HydrophobicContact CD2-CB 4.01Å; F74-A109 HydrophobicContact CD2-CB 3.96Å; A105-A109 HydrophobicContact CB-CB 4.12Å; S106-A109 PolarHBondContact O-N 3.02Å; S106-A109 WeakPolarHBondContact OG-CB 3.46Å; S106-A109 PolarHBondContact OG-N 3.19Å; A109-Q111 PolarHBondContact O-N 3.02Å; A109-Q111 VanDerWaalsContact O-N 3.1Å; A109-Y112 WeakPolarHBondContact O-CD2 3.5Å; A109-Y112 PolarHBondContact O-N 2.97Å
110	K	96	Very high	96.1	Very high	114 Å²	114	60.1 Å²	60.1	50%	0.496	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-56.5	-29.9	-177.7	-164.7	170.4	-174.3	174.8	0	113.7	S106 K108 Y112 F113	S106-K110 WeakPolarHBondContact O-CB 3.32Å; S106-K110 PolarHBondContact O-N 2.83Å; K108-K110 VanDerWaalsContact C-N 3.31Å; K108-K110 PolarHBondContact O-N 2.7Å; K110-Y112 PolarHBondContact O-N 3.25Å; K110-F113 PolarHBondContact O-N 3.27Å; K110-F113 VanDerWaalsContact O-N 3.14Å
111	Q	94.8	Very high	96.1	Very high	93 Å²	93	57.4 Å²	57.4	44%	0.435	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-63.6	-19.9	178.4	79	-169.7	-41.3	0	0	113.9	K108 A109 T114	K108-Q111 VanDerWaalsContact O-CG 3.23Å; K108-Q111 WeakPolarHBondContact O-CG 3.36Å; K108-Q111 PolarHBondContact O-NE2 3.39Å; A109-Q111 PolarHBondContact O-N 3.02Å; A109-Q111 VanDerWaalsContact O-N 3.1Å; Q111-T114 WeakPolarHBondContact O-CG2 3.39Å
112	Y	96.4	Very high	96	Very high	1 Å²	1	60.2 Å²	60.2	0%	0.004	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-87.7	-19.3	178.4	-55.3	-71.4	0	0	0	112.6	L66 A109 K110 T114 T117 V140 K143 V144	L66-Y112 HydrophobicContact CD1-CD2 4.14Å; L66-Y112 HydrophobicContact CD1-CE2 3.63Å; L66-Y112 HydrophobicContact CG-CE2 4.13Å; A109-Y112 WeakPolarHBondContact O-CD2 3.5Å; A109-Y112 PolarHBondContact O-N 2.97Å; K110-Y112 PolarHBondContact O-N 3.25Å; Y112-T114 VanDerWaalsContact C-N 3.26Å; Y112-T114 PolarHBondContact O-N 3.28Å; Y112-T117 WeakPolarHBondContact O-CB 3.47Å; Y112-T117 WeakPolarHBondContact O-CG2 3.5Å; Y112-T117 PolarHBondContact O-OG1 2.84Å; Y112-V140 HydrophobicContact CD1-CG1 4.29Å; Y112-V140 HydrophobicContact CD1-CG2 4.09Å; Y112-V140 HydrophobicContact CD2-CG1 3.75Å; Y112-V140 HydrophobicContact CD2-CG2 4.25Å; Y112-V140 HydrophobicContact CE1-CG1 4.38Å; Y112-V140 HydrophobicContact CE2-CG1 3.86Å; Y112-V140 HydrophobicContact CG-CB 4.48Å; Y112-V140 HydrophobicContact CG-CG1 4Å; Y112-V140 HydrophobicContact CG-CG2 3.75Å; Y112-K143 HydrophobicContact CD1-CD 4.09Å; Y112-K143 HydrophobicContact CE1-CB 4.37Å; Y112-K143 HydrophobicContact CE1-CD 3.8Å; Y112-K143 HydrophobicContact CE1-CG 4.08Å; Y112-V144 HydrophobicContact CE2-CG2 4.42Å; Y112-V144 VanDerWaalsContact OH-CG2 3.29Å; Y112-V144 WeakPolarHBondContact OH-CG2 3.43Å
113	F	97.1	Very high	95.6	Very high	17 Å²	17	65.6 Å²	65.6	8%	0.075	35%	0.345	C	S	.	.			trans	-83	62.5	178.5	-71.9	-86.9	0	0	0	112.4	F74 L77 L78 F98 A101 S102 A105 K110 F136	F74-F113 HydrophobicContact CD2-CE2 4.18Å; F74-F113 HydrophobicContact CD2-CZ 4.41Å; F74-F113 HydrophobicContact CE2-CD2 4.46Å; F74-F113 AromaticContact CE2-CE2 3.5Å; F74-F113 HydrophobicContact CE2-CE2 3.5Å; F74-F113 VanDerWaalsContact CE2-CE2 3.5Å; F74-F113 AromaticContact CE2-CZ 3.63Å; F74-F113 HydrophobicContact CE2-CZ 3.63Å; F74-F113 HydrophobicContact CZ-CZ 4.46Å; L77-F113 HydrophobicContact CD2-CE2 4.31Å; L77-F113 HydrophobicContact CD2-CZ 4.11Å; L78-F113 HydrophobicContact CD2-CE1 4.2Å; L78-F113 HydrophobicContact CD2-CZ 3.99Å; F98-F113 HydrophobicContact CD1-CD1 4.06Å; F98-F113 AromaticContact CD2-CD1 3.81Å; F98-F113 HydrophobicContact CD2-CD1 3.81Å; F98-F113 HydrophobicContact CD2-CE1 4.11Å; F98-F113 HydrophobicContact CE1-CB 3.97Å; F98-F113 AromaticContact CE1-CD1 3.9Å; F98-F113 HydrophobicContact CE1-CD1 3.9Å; F98-F113 HydrophobicContact CE1-CG 4.42Å; F98-F113 AromaticContact CE2-CD1 3.65Å; F98-F113 HydrophobicContact CE2-CD1 3.65Å; F98-F113 HydrophobicContact CE2-CE1 4.18Å; F98-F113 HydrophobicContact CG-CD1 4.04Å; F98-F113 HydrophobicContact CZ-CB 4.08Å; F98-F113 AromaticContact CZ-CD1 3.72Å; F98-F113 HydrophobicContact CZ-CD1 3.72Å; F98-F113 HydrophobicContact CZ-CG 4.26Å; F98-F113 WeakPolarHBondContact O-CD1 3.46Å; A101-F113 HydrophobicContact CB-CE1 3.65Å; A101-F113 HydrophobicContact CB-CZ 3.9Å; S102-F113 VanDerWaalsContact OG-CB 3.31Å; S102-F113 WeakPolarHBondContact OG-CB 3.49Å; A105-F113 HydrophobicContact CB-CD2 3.92Å; A105-F113 HydrophobicContact CB-CE2 3.54Å; A105-F113 HydrophobicContact CB-CZ 4.44Å; K110-F113 PolarHBondContact O-N 3.27Å; K110-F113 VanDerWaalsContact O-N 3.14Å; F113-F136 HydrophobicContact CD1-CE1 4.03Å; F113-F136 HydrophobicContact CD1-CZ 4.18Å; F113-F136 AromaticContact CE1-CE1 3.65Å; F113-F136 HydrophobicContact CE1-CE1 3.65Å; F113-F136 HydrophobicContact CE1-CZ 4.2Å; F113-F136 HydrophobicContact CG-CZ 4.44Å; F113-F136 HydrophobicContact CZ-CE1 4Å; F113-F136 HydrophobicContact CZ-CZ 4.48Å
114	T	96.7	Very high	95	Very high	59 Å²	59	67.9 Å²	67.9	36%	0.362	36%	0.358	S	S	.	.			trans	-104.7	152.7	175.9	77.6	0	0	0	0	111.2	Q111 Y112 A116 T117 F118	Q111-T114 WeakPolarHBondContact O-CG2 3.39Å; Y112-T114 VanDerWaalsContact C-N 3.26Å; Y112-T114 PolarHBondContact O-N 3.28Å; T114-A116 PolarHBondContact O-N 3.45Å; T114-T117 WeakPolarHBondContact O-CB 3.28Å; T114-T117 PolarHBondContact O-N 3Å; T114-T117 VanDerWaalsContact O-N 3.13Å; T114-T117 PolarHBondContact OG1-N 3.12Å; T114-T117 PolarHBondContact OG1-OG1 3.3Å; T114-F118 PolarHBondContact O-N 3.19Å
115	A	96.6	Very high	94.5	Very high	50 Å²	50	69.2 Å²	69.2	41%	0.413	37%	0.368	S	S	.	.	H	α-helix	trans	-57.8	-38.1	173.7	0	0	0	0	0	111.7	Y95 T117 F118 V119	Y95-A115 HydrophobicContact CE2-CB 4.49Å; A115-T117 PolarHBondContact O-N 3.43Å; A115-F118 PolarHBondContact O-N 2.79Å; A115-V119 WeakPolarHBondContact O-CG2 3.43Å; A115-V119 PolarHBondContact O-N 3.45Å
116	A	96.8	Very high	94	Very high	74 Å²	74	70.8 Å²	70.8	61%	0.612	37%	0.373	S	S	*	.	H	α-helix	trans	-62.4	-41.5	175.7	0	0	0	0	0	112.3	T114 K120	T114-A116 PolarHBondContact O-N 3.45Å; A116-K120 VanDerWaalsContact O-CB 3.23Å; A116-K120 WeakPolarHBondContact O-CB 3.35Å; A116-K120 PolarHBondContact O-N 3.15Å
117	T	96.6	Very high	93.4	Very high	8 Å²	8	75.5 Å²	75.5	5%	0.049	40%	0.4	C	S	.	.	H	α-helix	trans	-62.1	-45.2	174.1	-49.9	0	0	0	0	111	Y112 T114 A115 K120 L121 F136 Y139	Y112-T117 WeakPolarHBondContact O-CB 3.47Å; Y112-T117 WeakPolarHBondContact O-CG2 3.5Å; Y112-T117 PolarHBondContact O-OG1 2.84Å; T114-T117 WeakPolarHBondContact O-CB 3.28Å; T114-T117 PolarHBondContact O-N 3Å; T114-T117 VanDerWaalsContact O-N 3.13Å; T114-T117 PolarHBondContact OG1-N 3.12Å; T114-T117 PolarHBondContact OG1-OG1 3.3Å; A115-T117 PolarHBondContact O-N 3.43Å; T117-K120 PolarHBondContact O-N 3.07Å; T117-L121 HydrophobicContact CG2-CD1 3.89Å; T117-L121 HydrophobicContact CG2-CG 4.49Å; T117-L121 WeakPolarHBondContact O-CG 3.24Å; T117-L121 PolarHBondContact O-N 3.03Å; T117-L121 VanDerWaalsContact O-N 3.14Å; T117-F136 HydrophobicContact CG2-CD2 4.2Å; T117-F136 HydrophobicContact CG2-CE2 3.77Å; T117-Y139 HydrophobicContact CG2-CD1 3.9Å; T117-Y139 HydrophobicContact CG2-CE1 3.55Å
118	F	97.2	Very high	93.1	Very high	12 Å²	12	74.2 Å²	74.2	5%	0.053	39%	0.386	C	S	.	.	H	α-helix	trans	-60.5	-51	-179.5	-173.9	-87.6	0	0	0	111.4	Y95 F98 T114 A115 K120 L121 L122 S129 I131	Y95-F118 HydrophobicContact CD2-CB 4.14Å; Y95-F118 AromaticContact CD2-CD1 3.78Å; Y95-F118 HydrophobicContact CD2-CD1 3.78Å; Y95-F118 AromaticContact CD2-CD2 3.83Å; Y95-F118 HydrophobicContact CD2-CD2 3.83Å; Y95-F118 HydrophobicContact CD2-CE1 4.13Å; Y95-F118 HydrophobicContact CD2-CE2 4.16Å; Y95-F118 AromaticContact CD2-CG 3.63Å; Y95-F118 HydrophobicContact CD2-CG 3.63Å; Y95-F118 HydrophobicContact CD2-CZ 4.31Å; Y95-F118 HydrophobicContact CE2-CB 4.24Å; Y95-F118 HydrophobicContact CE2-CG 4.23Å; Y95-F118 HydrophobicContact CG-CD1 4.48Å; Y95-F118 HydrophobicContact CG-CE1 4.43Å; F98-F118 HydrophobicContact CB-CD2 3.96Å; F98-F118 HydrophobicContact CB-CE2 4.04Å; F98-F118 HydrophobicContact CD1-CB 4.46Å; F98-F118 HydrophobicContact CD1-CD2 4.05Å; F98-F118 AromaticContact CD2-CD2 3.71Å; F98-F118 HydrophobicContact CD2-CD2 3.71Å; F98-F118 HydrophobicContact CD2-CE2 4.36Å; F98-F118 HydrophobicContact CE1-CB 4.12Å; F98-F118 HydrophobicContact CE1-CD2 4.42Å; F98-F118 HydrophobicContact CE2-CB 4.5Å; F98-F118 HydrophobicContact CE2-CD2 4.1Å; F98-F118 AromaticContact CG-CD2 3.66Å; F98-F118 HydrophobicContact CG-CD2 3.66Å; F98-F118 HydrophobicContact CG-CE2 4.23Å; F98-F118 HydrophobicContact CZ-CB 4.11Å; F98-F118 HydrophobicContact CZ-CD2 4.42Å; T114-F118 PolarHBondContact O-N 3.19Å; A115-F118 PolarHBondContact O-N 2.79Å; F118-K120 VanDerWaalsContact C-N 3.3Å; F118-K120 PolarHBondContact O-N 3.33Å; F118-L121 PolarHBondContact O-N 3.31Å; F118-L121 VanDerWaalsContact O-N 3.14Å; F118-L122 HydrophobicContact CE1-CD1 4.36Å; F118-L122 PolarHBondContact O-N 2.95Å; F118-L122 VanDerWaalsContact O-N 3.12Å; F118-S129 WeakPolarHBondContact CZ-O 3.32Å; F118-I131 HydrophobicContact CD1-CG2 4.46Å; F118-I131 HydrophobicContact CD2-CD1 3.73Å; F118-I131 HydrophobicContact CD2-CG1 4.12Å; F118-I131 HydrophobicContact CD2-CG2 3.97Å; F118-I131 HydrophobicContact CE1-CG2 4.33Å; F118-I131 HydrophobicContact CE2-CB 4.43Å; F118-I131 HydrophobicContact CE2-CD1 4.01Å; F118-I131 HydrophobicContact CE2-CG1 3.88Å; F118-I131 HydrophobicContact CE2-CG2 3.84Å; F118-I131 HydrophobicContact CG-CG2 4.28Å; F118-I131 HydrophobicContact CZ-CG2 4.02Å; F118-I131 WeakPolarHBondContact O-CG2 3.36Å
119	V	94.9	Very high	92.9	Very high	100 Å²	100	74.8 Å²	74.8	61%	0.606	40%	0.398	S	S	*	.	H	α-helix	trans	-62.7	-38.7	179.2	174.3	0	0	0	0	111.2	A115 L121 L122	A115-V119 WeakPolarHBondContact O-CG2 3.43Å; A115-V119 PolarHBondContact O-N 3.45Å; V119-L121 PolarHBondContact O-N 3.11Å; V119-L122 WeakPolarHBondContact O-CB 3.48Å; V119-L122 PolarHBondContact O-N 2.93Å
120	K	95	Very high	92.9	Very high	152 Å²	152	75.2 Å²	75.2	66%	0.661	40%	0.399	S	S	*	.	H	α-helix	trans	-62.2	-30.5	176.7	-180	172.2	-179.2	170.7	0	113.3	A116 T117 F118	A116-K120 VanDerWaalsContact O-CB 3.23Å; A116-K120 WeakPolarHBondContact O-CB 3.35Å; A116-K120 PolarHBondContact O-N 3.15Å; T117-K120 PolarHBondContact O-N 3.07Å; F118-K120 VanDerWaalsContact C-N 3.3Å; F118-K120 PolarHBondContact O-N 3.33Å
121	L	95.9	Very high	92.9	Very high	24 Å²	24	69.9 Å²	69.9	13%	0.126	38%	0.376	C	S	.	.	H	α-helix	trans	-96.1	-2	-178.2	-63.7	175.6	0	0	0	112.9	T117 F118 V119 I131 T135 F136 Y139	T117-L121 HydrophobicContact CG2-CD1 3.89Å; T117-L121 HydrophobicContact CG2-CG 4.49Å; T117-L121 WeakPolarHBondContact O-CG 3.24Å; T117-L121 PolarHBondContact O-N 3.03Å; T117-L121 VanDerWaalsContact O-N 3.14Å; F118-L121 PolarHBondContact O-N 3.31Å; F118-L121 VanDerWaalsContact O-N 3.14Å; V119-L121 PolarHBondContact O-N 3.11Å; L121-I131 HydrophobicContact CB-CB 4.31Å; L121-I131 HydrophobicContact CB-CG2 3.98Å; L121-T135 HydrophobicContact CD2-CG2 4.23Å; L121-F136 HydrophobicContact CD1-CB 3.87Å; L121-F136 HydrophobicContact CD1-CD2 3.46Å; L121-F136 VanDerWaalsContact CD1-CD2 3.46Å; L121-F136 HydrophobicContact CD1-CE2 4.38Å; L121-F136 HydrophobicContact CD1-CG 3.99Å; L121-Y139 HydrophobicContact CD1-CD1 4.46Å; L121-Y139 HydrophobicContact CD1-CG 4.37Å; L121-Y139 HydrophobicContact CD2-CD2 4.39Å; L121-Y139 HydrophobicContact CD2-CG 4.31Å
122	L	95	Very high	92.9	Very high	60 Å²	60	65.9 Å²	65.9	31%	0.314	36%	0.357	S	S	.	.			trans	-76.3	127.1	176.3	-167.5	67.5	0	0	0	109	F118 V119 R130 I131	F118-L122 HydrophobicContact CE1-CD1 4.36Å; F118-L122 PolarHBondContact O-N 2.95Å; F118-L122 VanDerWaalsContact O-N 3.12Å; V119-L122 WeakPolarHBondContact O-CB 3.48Å; V119-L122 PolarHBondContact O-N 2.93Å; L122-R130 WeakPolarHBondContact CD1-O 3.44Å; L122-I131 HydrophobicContact CB-CG2 4.48Å; L122-I131 HydrophobicContact CD1-CG2 4.32Å
123	R	90	Very high	93	Very high	130 Å²	130	66 Å²	66	49%	0.491	36%	0.358	S	S	.	.			trans	-84.2	144.2	172	-54.3	-172.9	179.2	174.1	3.2	109.7	D125 E126	R123-D125 WeakPolarHBondContact CB-OD1 3.26Å; R123-D125 PolarHBondContact O-N 3.04Å; R123-E126 HydrophobicContact CB-CB 4.47Å; R123-E126 PolarHBondContact O-N 3.35Å
124	E	84.4	Confident	92.9	Very high	209 Å²	209	69.2 Å²	69.2	98%	0.977	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-27.3	-177.5	-64.8	-176.1	168.7	0	0	113
125	D	85.7	Confident	92.9	Very high	121 Å²	121	68.9 Å²	68.9	65%	0.647	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-8.5	-179.5	62.3	-34.4	0	0	0	113.9	R123 V127	R123-D125 WeakPolarHBondContact CB-OD1 3.26Å; R123-D125 PolarHBondContact O-N 3.04Å; D125-V127 PolarHBondContact O-N 2.82Å
126	E	84.5	Confident	93	Very high	44 Å²	44	66.6 Å²	66.6	21%	0.206	35%	0.354	C	S	.	.			trans	-81.2	95.7	-175	-176.3	58.3	-174.4	0	0	112.2	R123 L128 S129 R130	R123-E126 HydrophobicContact CB-CB 4.47Å; R123-E126 PolarHBondContact O-N 3.35Å; E126-L128 PolarHBondContact O-N 2.95Å; E126-L128 VanDerWaalsContact O-N 3.13Å; E126-S129 PolarHBondContact O-N 3.21Å; E126-R130 HydrophobicContact CG-CB 4.38Å; E126-R130 WeakPolarHBondContact CG-O 3.42Å; E126-R130 IonicContact OE1-CZ 2.68Å; E126-R130 IonicContact OE1-NE 2.92Å; E126-R130 PolarHBondContact OE1-NE 2.99Å; E126-R130 VanDerWaalsContact OE1-NE 3.08Å; E126-R130 IonicContact OE1-NH2 2.86Å; E126-R130 PolarHBondContact OE1-NH2 3.1Å
127	V	82.5	Confident	93	Very high	134 Å²	134	64.7 Å²	64.7	81%	0.812	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-36.3	-175.9	-177.5	0	0	0	0	113.2	D125 S129	D125-V127 PolarHBondContact O-N 2.82Å; V127-S129 VanDerWaalsContact C-N 3.26Å; V127-S129 PolarHBondContact O-N 3.46Å
128	L	87.3	Confident	93	Very high	97 Å²	97	68.3 Å²	68.3	51%	0.508	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	3.5	-176.7	-66.3	177.3	0	0	0	113.6	E126 R130	E126-L128 PolarHBondContact O-N 2.95Å; E126-L128 VanDerWaalsContact O-N 3.13Å; L128-R130 VanDerWaalsContact C-N 3.33Å; L128-R130 HydrophobicContact CB-CG 3.86Å; L128-R130 VanDerWaalsContact CD1-CZ 3.47Å; L128-R130 WeakPolarHBondContact O-CG 3.22Å; L128-R130 PolarHBondContact O-N 3.24Å
129	S	92.1	Very high	93	Very high	70 Å²	70	70.2 Å²	70.2	49%	0.49	36%	0.358	S	S	.	.			trans	54.8	45.2	-178.7	-60.8	0	0	0	0	113.3	F118 E126 V127	F118-S129 WeakPolarHBondContact CZ-O 3.32Å; E126-S129 PolarHBondContact O-N 3.21Å; V127-S129 VanDerWaalsContact C-N 3.26Å; V127-S129 PolarHBondContact O-N 3.46Å
130	R	94.8	Very high	93.1	Very high	10 Å²	10	65.5 Å²	65.5	4%	0.038	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	154.4	-177.8	-53.9	177.6	-62.9	167.9	2.9	111.1	S83 P84 P85 F92 M93 D94 L122 E126 L128	S83-R130 PolarHBondContact O-NH1 3.14Å; P84-R130 PolarHBondContact O-NH1 2.9Å; P85-R130 PolarHBondContact O-NH1 3.49Å; F92-R130 HydrophobicContact CB-CB 3.79Å; F92-R130 HydrophobicContact CB-CG 4.47Å; F92-R130 HydrophobicContact CD1-CB 4.34Å; F92-R130 HydrophobicContact CG-CB 4.47Å; M93-R130 WeakPolarHBondContact O-CA 3.27Å; D94-R130 HydrophobicContact CB-CG 4.1Å; L122-R130 WeakPolarHBondContact CD1-O 3.44Å; E126-R130 HydrophobicContact CG-CB 4.38Å; E126-R130 WeakPolarHBondContact CG-O 3.42Å; E126-R130 IonicContact OE1-CZ 2.68Å; E126-R130 IonicContact OE1-NE 2.92Å; E126-R130 PolarHBondContact OE1-NE 2.99Å; E126-R130 VanDerWaalsContact OE1-NE 3.08Å; E126-R130 IonicContact OE1-NH2 2.86Å; E126-R130 PolarHBondContact OE1-NH2 3.1Å; L128-R130 VanDerWaalsContact C-N 3.33Å; L128-R130 HydrophobicContact CB-CG 3.86Å; L128-R130 VanDerWaalsContact CD1-CZ 3.47Å; L128-R130 WeakPolarHBondContact O-CG 3.22Å; L128-R130 PolarHBondContact O-N 3.24Å
131	I	96.3	Very high	93.1	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.01	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	143.7	171.7	64.9	174	0	0	0	110.2	F92 M93 F98 F118 L121 L122 I133 F136	F92-I131 CarbonylContact C-O 3.54Å; F92-I131 VanDerWaalsContact CA-O 3.22Å; F92-I131 WeakPolarHBondContact CA-O 3.49Å; M93-I131 HydrophobicContact CB-CG1 4.41Å; M93-I131 PolarHBondContact N-O 2.78Å; M93-I131 PolarHBondContact O-N 3.29Å; F98-I131 HydrophobicContact CD2-CD1 3.83Å; F98-I131 HydrophobicContact CE2-CD1 3.86Å; F118-I131 HydrophobicContact CD1-CG2 4.46Å; F118-I131 HydrophobicContact CD2-CD1 3.73Å; F118-I131 HydrophobicContact CD2-CG1 4.12Å; F118-I131 HydrophobicContact CD2-CG2 3.97Å; F118-I131 HydrophobicContact CE1-CG2 4.33Å; F118-I131 HydrophobicContact CE2-CB 4.43Å; F118-I131 HydrophobicContact CE2-CD1 4.01Å; F118-I131 HydrophobicContact CE2-CG1 3.88Å; F118-I131 HydrophobicContact CE2-CG2 3.84Å; F118-I131 HydrophobicContact CG-CG2 4.28Å; F118-I131 HydrophobicContact CZ-CG2 4.02Å; F118-I131 WeakPolarHBondContact O-CG2 3.36Å; L121-I131 HydrophobicContact CB-CB 4.31Å; L121-I131 HydrophobicContact CB-CG2 3.98Å; L122-I131 HydrophobicContact CB-CG2 4.48Å; L122-I131 HydrophobicContact CD1-CG2 4.32Å; I131-I133 PolarHBondContact O-N 2.96Å; I131-F136 HydrophobicContact CD1-CB 4.11Å; I131-F136 HydrophobicContact CD1-CD1 4.24Å; I131-F136 HydrophobicContact CD1-CG 4.16Å
132	N	95.7	Very high	93	Very high	10 Å²	10	67.7 Å²	67.7	5%	0.053	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	126.4	171.7	176.7	-50.8	0	0	0	109.1	E90 F92 L134 T135 F136	E90-N132 VanDerWaalsContact CD-ND2 3.27Å; E90-N132 PolarHBondContact OE2-ND2 3.1Å; F92-N132 HydrophobicContact CD1-CB 4.1Å; F92-N132 HydrophobicContact CE1-CB 3.83Å; F92-N132 HydrophobicContact CZ-CB 4.46Å; N132-L134 VanDerWaalsContact C-N 3.32Å; N132-L134 PolarHBondContact O-N 2.89Å; N132-L134 WeakPolarHBondContact OD1-CA 3.35Å; N132-L134 VanDerWaalsContact OD1-CB 3.27Å; N132-L134 WeakPolarHBondContact OD1-CB 3.48Å; N132-L134 PolarHBondContact OD1-N 3.33Å; N132-T135 WeakPolarHBondContact CB-OG1 3.49Å; N132-T135 PolarHBondContact O-N 3.39Å; N132-T135 PolarHBondContact OD1-N 3.48Å; N132-F136 PolarHBondContact O-N 3.12Å
133	I	96.8	Very high	93	Very high	3 Å²	3	68.5 Å²	68.5	2%	0.015	34%	0.341	C	S	.	.	H	α-helix	trans	-69.2	-30.5	-173.9	72.2	173.9	0	0	0	112.6	W75 L78 E79 H82 K91 M93 I131 F136 F137	W75-I133 HydrophobicContact CH2-CD1 4.43Å; W75-I133 HydrophobicContact CH2-CG1 4.36Å; W75-I133 HydrophobicContact CZ3-CG1 4.41Å; L78-I133 HydrophobicContact CB-CB 4.28Å; L78-I133 HydrophobicContact CB-CD1 4.47Å; E79-I133 HydrophobicContact CG-CD1 4.27Å; H82-I133 HydrophobicContact CB-CG2 4.48Å; K91-I133 HydrophobicContact CB-CD1 3.5Å; K91-I133 HydrophobicContact CB-CG1 3.82Å; K91-I133 HydrophobicContact CD-CD1 3.85Å; K91-I133 HydrophobicContact CG-CD1 4.32Å; K91-I133 PolarHBondContact O-N 2.84Å; M93-I133 HydrophobicContact CB-CG2 3.8Å; M93-I133 HydrophobicContact CE-CG2 3.92Å; I131-I133 PolarHBondContact O-N 2.96Å; I133-F136 PolarHBondContact O-N 3.3Å; I133-F137 WeakPolarHBondContact O-CB 3.38Å; I133-F137 PolarHBondContact O-N 3.01Å
134	L	96.4	Very high	93.3	Very high	84 Å²	84	62.4 Å²	62.4	44%	0.44	32%	0.318	S	S	.	.	H	α-helix	trans	-68.8	-41	174.9	180	63.3	0	0	0	110.5	W75 N132 F136 F137 N138	W75-L134 HydrophobicContact CH2-CB 4.33Å; W75-L134 HydrophobicContact CH2-CD1 4.02Å; W75-L134 HydrophobicContact CZ3-CB 4.4Å; W75-L134 HydrophobicContact CZ3-CD1 4Å; N132-L134 VanDerWaalsContact C-N 3.32Å; N132-L134 PolarHBondContact O-N 2.89Å; N132-L134 WeakPolarHBondContact OD1-CA 3.35Å; N132-L134 VanDerWaalsContact OD1-CB 3.27Å; N132-L134 WeakPolarHBondContact OD1-CB 3.48Å; N132-L134 PolarHBondContact OD1-N 3.33Å; L134-F136 VanDerWaalsContact C-N 3.31Å; L134-F136 PolarHBondContact O-N 2.65Å; L134-F137 PolarHBondContact O-N 3.28Å; L134-N138 WeakPolarHBondContact O-CB 3.49Å; L134-N138 PolarHBondContact O-N 2.83Å; L134-N138 PolarHBondContact O-ND2 2.75Å
135	T	96.2	Very high	93.6	Very high	53 Å²	53	56.1 Å²	56.1	33%	0.325	29%	0.286	S	S	.	.	H	α-helix	trans	-61.3	-41.4	173.3	-49.8	0	0	0	0	111.3	L121 N132 N138 Y139	L121-T135 HydrophobicContact CD2-CG2 4.23Å; N132-T135 WeakPolarHBondContact CB-OG1 3.49Å; N132-T135 PolarHBondContact O-N 3.39Å; N132-T135 PolarHBondContact OD1-N 3.48Å; T135-N138 PolarHBondContact O-N 3.38Å; T135-Y139 WeakPolarHBondContact O-CB 3.39Å; T135-Y139 PolarHBondContact O-N 3.44Å
136	F	97.7	Very high	93.9	Very high	1 Å²	1	53.9 Å²	53.9	0%	0.004	27%	0.273	C	S	.	.	H	α-helix	trans	-66.3	-42.7	175.5	-177.9	-145.9	0	0	0	112.6	F74 L78 F98 F113 T117 L121 I131 N132 I133 L134 Y139 V140	F74-F136 HydrophobicContact CE2-CE1 4.23Å; F74-F136 HydrophobicContact CE2-CZ 4.38Å; F74-F136 HydrophobicContact CZ-CD1 4.16Å; F74-F136 AromaticContact CZ-CE1 3.68Å; F74-F136 HydrophobicContact CZ-CE1 3.68Å; F74-F136 HydrophobicContact CZ-CE2 4.39Å; F74-F136 AromaticContact CZ-CZ 3.81Å; F74-F136 HydrophobicContact CZ-CZ 3.81Å; L78-F136 HydrophobicContact CD1-CD1 3.91Å; L78-F136 HydrophobicContact CD2-CD1 3.66Å; L78-F136 HydrophobicContact CD2-CE1 3.74Å; L78-F136 HydrophobicContact CG-CD1 4.46Å; F98-F136 HydrophobicContact CD2-CE1 4.15Å; F98-F136 HydrophobicContact CE2-CD1 4.08Å; F98-F136 AromaticContact CE2-CE1 3.51Å; F98-F136 HydrophobicContact CE2-CE1 3.51Å; F98-F136 HydrophobicContact CE2-CE2 4.31Å; F98-F136 AromaticContact CE2-CZ 3.65Å; F98-F136 HydrophobicContact CE2-CZ 3.65Å; F98-F136 HydrophobicContact CZ-CE1 4.4Å; F98-F136 HydrophobicContact CZ-CZ 4.14Å; F113-F136 HydrophobicContact CD1-CE1 4.03Å; F113-F136 HydrophobicContact CD1-CZ 4.18Å; F113-F136 AromaticContact CE1-CE1 3.65Å; F113-F136 HydrophobicContact CE1-CE1 3.65Å; F113-F136 HydrophobicContact CE1-CZ 4.2Å; F113-F136 HydrophobicContact CG-CZ 4.44Å; F113-F136 HydrophobicContact CZ-CE1 4Å; F113-F136 HydrophobicContact CZ-CZ 4.48Å; T117-F136 HydrophobicContact CG2-CD2 4.2Å; T117-F136 HydrophobicContact CG2-CE2 3.77Å; L121-F136 HydrophobicContact CD1-CB 3.87Å; L121-F136 HydrophobicContact CD1-CD2 3.46Å; L121-F136 VanDerWaalsContact CD1-CD2 3.46Å; L121-F136 HydrophobicContact CD1-CE2 4.38Å; L121-F136 HydrophobicContact CD1-CG 3.99Å; I131-F136 HydrophobicContact CD1-CB 4.11Å; I131-F136 HydrophobicContact CD1-CD1 4.24Å; I131-F136 HydrophobicContact CD1-CG 4.16Å; N132-F136 PolarHBondContact O-N 3.12Å; I133-F136 PolarHBondContact O-N 3.3Å; L134-F136 VanDerWaalsContact C-N 3.31Å; L134-F136 PolarHBondContact O-N 2.65Å; F136-Y139 HydrophobicContact CD2-CD1 4.28Å; F136-Y139 HydrophobicContact CE2-CD1 4.39Å; F136-Y139 WeakPolarHBondContact O-CB 3.07Å; F136-Y139 PolarHBondContact O-N 3.43Å; F136-V140 HydrophobicContact CD2-CG2 4.03Å; F136-V140 HydrophobicContact CE2-CG2 3.63Å; F136-V140 HydrophobicContact CZ-CG2 4.21Å; F136-V140 WeakPolarHBondContact O-CG2 3.29Å; F136-V140 PolarHBondContact O-N 3.28Å
137	F	98	Very high	94.4	Very high	34 Å²	34	55 Å²	55	15%	0.149	28%	0.279	C	S	.	.	H	α-helix	trans	-58	-49.9	174.2	-177.9	-103.1	0	0	0	111.8	L71 F74 W75 L78 I133 L134 Y139 V140 M141	L71-F137 WeakPolarHBondContact O-CE2 3.46Å; F74-F137 AromaticContact CD1-CD2 3.71Å; F74-F137 HydrophobicContact CD1-CD2 3.71Å; F74-F137 HydrophobicContact CD1-CE2 4.09Å; F74-F137 HydrophobicContact CE1-CD2 4.03Å; W75-F137 HydrophobicContact CB-CD2 4.05Å; W75-F137 HydrophobicContact CB-CE2 3.8Å; W75-F137 HydrophobicContact CB-CZ 4.39Å; W75-F137 HydrophobicContact CE3-CB 3.71Å; W75-F137 AromaticContact CE3-CD1 4Å; W75-F137 HydrophobicContact CE3-CD1 4Å; W75-F137 AromaticContact CE3-CD2 3.75Å; W75-F137 HydrophobicContact CE3-CD2 3.75Å; W75-F137 HydrophobicContact CE3-CE2 4.4Å; W75-F137 AromaticContact CE3-CG 3.52Å; W75-F137 HydrophobicContact CE3-CG 3.52Å; W75-F137 HydrophobicContact CZ3-CB 3.77Å; W75-F137 HydrophobicContact CZ3-CD1 4.35Å; W75-F137 HydrophobicContact CZ3-CG 4.01Å; L78-F137 HydrophobicContact CD1-CB 4.07Å; I133-F137 WeakPolarHBondContact O-CB 3.38Å; I133-F137 PolarHBondContact O-N 3.01Å; L134-F137 PolarHBondContact O-N 3.28Å; F137-Y139 VanDerWaalsContact C-N 3.29Å; F137-Y139 PolarHBondContact O-N 3.24Å; F137-V140 PolarHBondContact O-N 3.45Å; F137-V140 VanDerWaalsContact O-N 3.11Å; F137-M141 HydrophobicContact CD1-CG 3.89Å; F137-M141 HydrophobicContact CE1-CG 3.46Å; F137-M141 VanDerWaalsContact CE1-CG 3.46Å; F137-M141 HydrophobicContact CE1-SD 4.08Å; F137-M141 HydrophobicContact CE2-CG 4.17Å; F137-M141 HydrophobicContact CE2-SD 4.42Å; F137-M141 HydrophobicContact CG-CG 4.43Å; F137-M141 HydrophobicContact CZ-CG 3.61Å; F137-M141 HydrophobicContact CZ-SD 3.75Å; F137-M141 WeakPolarHBondContact O-CB 3.39Å; F137-M141 WeakPolarHBondContact O-CG 3.39Å; F137-M141 PolarHBondContact O-N 3.25Å
138	N	96.8	Very high	94.9	Very high	84 Å²	84	52 Å²	52	45%	0.449	26%	0.256	S	S	.	.	H	α-helix	trans	-62.2	-36.3	178.2	-69.8	-12.3	0	0	0	112.1	L134 T135 K142	L134-N138 WeakPolarHBondContact O-CB 3.49Å; L134-N138 PolarHBondContact O-N 2.83Å; L134-N138 PolarHBondContact O-ND2 2.75Å; T135-N138 PolarHBondContact O-N 3.38Å; N138-K142 VanDerWaalsContact O-CB 3.29Å; N138-K142 WeakPolarHBondContact O-CB 3.22Å; N138-K142 PolarHBondContact O-N 2.88Å
139	Y	97	Very high	95.2	Very high	53 Å²	53	48.2 Å²	48.2	21%	0.208	24%	0.237	C	C	.	.	H	α-helix	trans	-60.7	-47	172.7	169.9	-94.3	0	0	0	111.8	T117 L121 T135 F136 F137 K143	T117-Y139 HydrophobicContact CG2-CD1 3.9Å; T117-Y139 HydrophobicContact CG2-CE1 3.55Å; L121-Y139 HydrophobicContact CD1-CD1 4.46Å; L121-Y139 HydrophobicContact CD1-CG 4.37Å; L121-Y139 HydrophobicContact CD2-CD2 4.39Å; L121-Y139 HydrophobicContact CD2-CG 4.31Å; T135-Y139 WeakPolarHBondContact O-CB 3.39Å; T135-Y139 PolarHBondContact O-N 3.44Å; F136-Y139 HydrophobicContact CD2-CD1 4.28Å; F136-Y139 HydrophobicContact CE2-CD1 4.39Å; F136-Y139 WeakPolarHBondContact O-CB 3.07Å; F136-Y139 PolarHBondContact O-N 3.43Å; F137-Y139 VanDerWaalsContact C-N 3.29Å; F137-Y139 PolarHBondContact O-N 3.24Å; Y139-K143 HydrophobicContact CE1-CD 4.19Å; Y139-K143 WeakPolarHBondContact O-CB 3.41Å; Y139-K143 PolarHBondContact O-N 3.45Å; Y139-K143 PolarHBondContact OH-NZ 3.27Å
140	V	97.2	Very high	95.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66.6	-45.6	178.5	174.7	0	0	0	0	110.8	L66 L71 F74 Y112 F136 F137 K142 K143 V144	L66-V140 HydrophobicContact CD1-CG1 3.73Å; L71-V140 HydrophobicContact CD2-CG1 4.3Å; F74-V140 HydrophobicContact CD1-CB 4.47Å; F74-V140 HydrophobicContact CD1-CG1 4.28Å; F74-V140 HydrophobicContact CE1-CB 3.73Å; F74-V140 HydrophobicContact CE1-CG1 3.93Å; F74-V140 HydrophobicContact CE1-CG2 3.71Å; F74-V140 HydrophobicContact CZ-CB 4.21Å; F74-V140 HydrophobicContact CZ-CG1 4.37Å; F74-V140 HydrophobicContact CZ-CG2 3.66Å; Y112-V140 HydrophobicContact CD1-CG1 4.29Å; Y112-V140 HydrophobicContact CD1-CG2 4.09Å; Y112-V140 HydrophobicContact CD2-CG1 3.75Å; Y112-V140 HydrophobicContact CD2-CG2 4.25Å; Y112-V140 HydrophobicContact CE1-CG1 4.38Å; Y112-V140 HydrophobicContact CE2-CG1 3.86Å; Y112-V140 HydrophobicContact CG-CB 4.48Å; Y112-V140 HydrophobicContact CG-CG1 4Å; Y112-V140 HydrophobicContact CG-CG2 3.75Å; F136-V140 HydrophobicContact CD2-CG2 4.03Å; F136-V140 HydrophobicContact CE2-CG2 3.63Å; F136-V140 HydrophobicContact CZ-CG2 4.21Å; F136-V140 WeakPolarHBondContact O-CG2 3.29Å; F136-V140 PolarHBondContact O-N 3.28Å; F137-V140 PolarHBondContact O-N 3.45Å; F137-V140 VanDerWaalsContact O-N 3.11Å; V140-K142 PolarHBondContact O-N 3.29Å; V140-K143 PolarHBondContact O-N 3.13Å; V140-V144 HydrophobicContact CG1-CG2 4.19Å; V140-V144 WeakPolarHBondContact O-CB 3.43Å; V140-V144 WeakPolarHBondContact O-CG2 3.48Å; V140-V144 PolarHBondContact O-N 3.06Å
141	M	95.6	Very high	95.2	Very high	70 Å²	70	48.4 Å²	48.4	35%	0.345	23%	0.231	S	C	.	.	H	α-helix	trans	-52.8	-53.2	173.9	-78.5	-67.3	-63.7	0	0	111.5	L71 F137 K143 V144 W145	L71-M141 HydrophobicContact CB-SD 4.15Å; L71-M141 HydrophobicContact CD1-CE 4.33Å; L71-M141 HydrophobicContact CD1-SD 3.45Å; L71-M141 WeakPolarHBondContact CD1-SD 3.49Å; L71-M141 HydrophobicContact CD2-CG 4.4Å; L71-M141 HydrophobicContact CD2-SD 3.58Å; L71-M141 VanDerWaalsContact CD2-SD 3.58Å; L71-M141 HydrophobicContact CG-SD 3.9Å; F137-M141 HydrophobicContact CD1-CG 3.89Å; F137-M141 HydrophobicContact CE1-CG 3.46Å; F137-M141 VanDerWaalsContact CE1-CG 3.46Å; F137-M141 HydrophobicContact CE1-SD 4.08Å; F137-M141 HydrophobicContact CE2-CG 4.17Å; F137-M141 HydrophobicContact CE2-SD 4.42Å; F137-M141 HydrophobicContact CG-CG 4.43Å; F137-M141 HydrophobicContact CZ-CG 3.61Å; F137-M141 HydrophobicContact CZ-SD 3.75Å; F137-M141 WeakPolarHBondContact O-CB 3.39Å; F137-M141 WeakPolarHBondContact O-CG 3.39Å; F137-M141 PolarHBondContact O-N 3.25Å; M141-K143 VanDerWaalsContact C-N 3.3Å; M141-K143 PolarHBondContact O-N 3.24Å; M141-V144 PolarHBondContact O-N 2.82Å; M141-W145 VanDerWaalsContact O-CB 3.28Å; M141-W145 WeakPolarHBondContact O-CB 3.27Å; M141-W145 PolarHBondContact O-N 3.28Å
142	K	93.2	Very high	95	Very high	153 Å²	153	49.5 Å²	49.5	67%	0.665	24%	0.243	S	C	*	.	H	α-helix	trans	-61.1	-38.9	179.7	-172.4	168.6	-173.8	168.2	0	111.9	N138 V140 L146	N138-K142 VanDerWaalsContact O-CB 3.29Å; N138-K142 WeakPolarHBondContact O-CB 3.22Å; N138-K142 PolarHBondContact O-N 2.88Å; V140-K142 PolarHBondContact O-N 3.29Å; K142-L146 WeakPolarHBondContact O-CB 3.29Å; K142-L146 PolarHBondContact O-N 3.49Å
143	K	94.4	Very high	94.9	Very high	77 Å²	77	49 Å²	49	34%	0.335	24%	0.24	S	C	.	.	H	α-helix	trans	-69.9	-41.8	178.8	-169.9	165.6	179.6	-179.9	0	112.5	Y112 Y139 V140 M141 Q147	Y112-K143 HydrophobicContact CD1-CD 4.09Å; Y112-K143 HydrophobicContact CE1-CB 4.37Å; Y112-K143 HydrophobicContact CE1-CD 3.8Å; Y112-K143 HydrophobicContact CE1-CG 4.08Å; Y139-K143 HydrophobicContact CE1-CD 4.19Å; Y139-K143 WeakPolarHBondContact O-CB 3.41Å; Y139-K143 PolarHBondContact O-N 3.45Å; Y139-K143 PolarHBondContact OH-NZ 3.27Å; V140-K143 PolarHBondContact O-N 3.13Å; M141-K143 VanDerWaalsContact C-N 3.3Å; M141-K143 PolarHBondContact O-N 3.24Å; K143-Q147 WeakPolarHBondContact O-CB 3.36Å; K143-Q147 VanDerWaalsContact O-CG 3.28Å; K143-Q147 WeakPolarHBondContact O-CG 3.4Å; K143-Q147 PolarHBondContact O-N 3.32Å; K143-Q147 VanDerWaalsContact O-N 3.12Å
144	V	95.5	Very high	94.8	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-62.4	-48.7	174.3	168.5	0	0	0	0	109.8	L65 L66 L71 Y112 V140 M141 L146 Q147 Q148	L65-V144 HydrophobicContact CB-CG1 4.42Å; L66-V144 HydrophobicContact CB-CG2 4.11Å; L66-V144 HydrophobicContact CD1-CG2 4.2Å; L66-V144 HydrophobicContact CG-CG2 4.37Å; L66-V144 WeakPolarHBondContact O-CG1 3.32Å; L71-V144 HydrophobicContact CD1-CG1 4.4Å; L71-V144 HydrophobicContact CD2-CG2 4.45Å; Y112-V144 HydrophobicContact CE2-CG2 4.42Å; Y112-V144 VanDerWaalsContact OH-CG2 3.29Å; Y112-V144 WeakPolarHBondContact OH-CG2 3.43Å; V140-V144 HydrophobicContact CG1-CG2 4.19Å; V140-V144 WeakPolarHBondContact O-CB 3.43Å; V140-V144 WeakPolarHBondContact O-CG2 3.48Å; V140-V144 PolarHBondContact O-N 3.06Å; M141-V144 PolarHBondContact O-N 2.82Å; V144-L146 PolarHBondContact O-N 3.08Å; V144-Q147 PolarHBondContact O-N 3.45Å; V144-Q148 HydrophobicContact CG1-CG 4.23Å; V144-Q148 WeakPolarHBondContact O-CB 3.49Å; V144-Q148 WeakPolarHBondContact O-CG 3.3Å; V144-Q148 PolarHBondContact O-N 3.26Å
145	W	92.1	Very high	94.6	Very high	77 Å²	77	49.9 Å²	49.9	29%	0.292	25%	0.246	S	C	.	.	H	α-helix	trans	-57.8	-50.1	177.9	178.2	90.4	0	0	0	111.6	M141 Q147 Q148 T149 D226 L229	M141-W145 VanDerWaalsContact O-CB 3.28Å; M141-W145 WeakPolarHBondContact O-CB 3.27Å; M141-W145 PolarHBondContact O-N 3.28Å; W145-Q147 VanDerWaalsContact C-N 3.26Å; W145-Q147 PolarHBondContact O-N 3Å; W145-Q148 PolarHBondContact O-N 3.42Å; W145-Q148 VanDerWaalsContact O-N 3.1Å; W145-T149 WeakPolarHBondContact O-CB 3.46Å; W145-T149 PolarHBondContact O-N 2.82Å; W145-T149 PolarHBondContact O-OG1 2.93Å; W145-D226 WeakPolarHBondContact CH2-OD1 3.32Å; W145-L229 HydrophobicContact CH2-CD1 4.29Å; W145-L229 HydrophobicContact CZ2-CD1 3.43Å; W145-L229 VanDerWaalsContact CZ2-CD1 3.43Å
146	L	92.4	Very high	94.5	Very high	74 Å²	74	49.4 Å²	49.4	39%	0.387	24%	0.239	S	C	.	.	H	α-helix	trans	-58.4	-39.9	178.9	-174.2	70.8	0	0	0	111.7	K142 V144 H150 L220	K142-L146 WeakPolarHBondContact O-CB 3.29Å; K142-L146 PolarHBondContact O-N 3.49Å; V144-L146 PolarHBondContact O-N 3.08Å; L146-H150 VanDerWaalsContact O-CB 3.22Å; L146-H150 WeakPolarHBondContact O-CB 3.38Å; L146-H150 PolarHBondContact O-N 3.36Å; L146-L220 HydrophobicContact CD1-CB 4.04Å; L146-L220 HydrophobicContact CD1-CD1 4.47Å; L146-L220 HydrophobicContact CD1-CD2 4.26Å; L146-L220 HydrophobicContact CD1-CG 4.49Å
147	Q	93.6	Very high	94.3	Very high	68 Å²	68	49.7 Å²	49.7	32%	0.318	24%	0.24	S	C	.	.	H	α-helix	trans	-71.5	-38.9	177.3	-71	179	-41.5	0	0	112.5	L65 K143 V144 W145 H150 V151	L65-Q147 HydrophobicContact CD1-CB 3.81Å; L65-Q147 HydrophobicContact CD2-CB 3.62Å; L65-Q147 HydrophobicContact CD2-CG 4.31Å; L65-Q147 HydrophobicContact CG-CB 4.4Å; K143-Q147 WeakPolarHBondContact O-CB 3.36Å; K143-Q147 VanDerWaalsContact O-CG 3.28Å; K143-Q147 WeakPolarHBondContact O-CG 3.4Å; K143-Q147 PolarHBondContact O-N 3.32Å; K143-Q147 VanDerWaalsContact O-N 3.12Å; V144-Q147 PolarHBondContact O-N 3.45Å; W145-Q147 VanDerWaalsContact C-N 3.26Å; W145-Q147 PolarHBondContact O-N 3Å; Q147-H150 PolarHBondContact O-N 3.06Å; Q147-V151 WeakPolarHBondContact O-CB 3.28Å; Q147-V151 VanDerWaalsContact O-CG2 3.27Å; Q147-V151 WeakPolarHBondContact O-CG2 3.4Å; Q147-V151 PolarHBondContact O-N 2.84Å
148	Q	93.5	Very high	93.5	Very high	72 Å²	72	52.1 Å²	52.1	34%	0.336	26%	0.257	S	S	.	.	H	α-helix	trans	-62.9	-47.7	174.9	-76.6	175.9	-16.5	0	0	110.3	L65 L66 V144 W145 H150 V151 G152	L65-Q148 HydrophobicContact CB-CG 4.41Å; L65-Q148 HydrophobicContact CD1-CB 4.22Å; L65-Q148 HydrophobicContact CD1-CG 3.46Å; L65-Q148 VanDerWaalsContact CD1-CG 3.46Å; L66-Q148 PolarHBondContact O-NE2 3.05Å; V144-Q148 HydrophobicContact CG1-CG 4.23Å; V144-Q148 WeakPolarHBondContact O-CB 3.49Å; V144-Q148 WeakPolarHBondContact O-CG 3.3Å; V144-Q148 PolarHBondContact O-N 3.26Å; W145-Q148 PolarHBondContact O-N 3.42Å; W145-Q148 VanDerWaalsContact O-N 3.1Å; Q148-H150 PolarHBondContact O-N 3.49Å; Q148-V151 PolarHBondContact O-N 2.85Å; Q148-G152 PolarHBondContact O-N 3.44Å
149	T	92.7	Very high	92.7	Very high	17 Å²	17	49.7 Å²	49.7	10%	0.104	25%	0.247	C	C	.	.	H	α-helix	trans	-62.5	-43	177.1	-55.1	0	0	0	0	111.4	W145 V151 G152 I153 L220 L225	W145-T149 WeakPolarHBondContact O-CB 3.46Å; W145-T149 PolarHBondContact O-N 2.82Å; W145-T149 PolarHBondContact O-OG1 2.93Å; T149-V151 PolarHBondContact O-N 3.3Å; T149-G152 PolarHBondContact O-N 3.38Å; T149-I153 HydrophobicContact CG2-CD1 4.01Å; T149-I153 HydrophobicContact CG2-CG1 4.49Å; T149-I153 WeakPolarHBondContact O-CG1 3.42Å; T149-I153 PolarHBondContact O-N 3.48Å; T149-L220 HydrophobicContact CG2-CD2 3.65Å; T149-L225 HydrophobicContact CG2-CD2 3.22Å; T149-L225 HydrophobicContact CG2-CG 4.43Å
150	H	94.3	Very high	92.1	Very high	68 Å²	68	48.6 Å²	48.6	32%	0.315	25%	0.251	S	S	.	.	H	α-helix	trans	-59.1	-45.5	174.2	-174.6	-156.4	0	0	0	112.1	L146 Q147 Q148 S154 L220	L146-H150 VanDerWaalsContact O-CB 3.22Å; L146-H150 WeakPolarHBondContact O-CB 3.38Å; L146-H150 PolarHBondContact O-N 3.36Å; Q147-H150 PolarHBondContact O-N 3.06Å; Q148-H150 PolarHBondContact O-N 3.49Å; H150-S154 VanDerWaalsContact O-CB 3.29Å; H150-S154 WeakPolarHBondContact O-CB 3.38Å; H150-S154 PolarHBondContact O-N 2.72Å; H150-S154 PolarHBondContact O-OG 3.32Å; H150-L220 HydrophobicContact CB-CD1 3.58Å
151	V	93.3	Very high	91.7	Very high	16 Å²	16	53.3 Å²	53.3	10%	0.097	27%	0.273	C	S	.	.	H	α-helix	trans	-63.6	-45.4	176.8	169.7	0	0	0	0	110.9	L58 K61 Q147 Q148 T149 S154 L155	L58-V151 HydrophobicContact CB-CG1 4.13Å; L58-V151 HydrophobicContact CD2-CG1 4.3Å; K61-V151 HydrophobicContact CB-CG2 3.9Å; Q147-V151 WeakPolarHBondContact O-CB 3.28Å; Q147-V151 VanDerWaalsContact O-CG2 3.27Å; Q147-V151 WeakPolarHBondContact O-CG2 3.4Å; Q147-V151 PolarHBondContact O-N 2.84Å; Q148-V151 PolarHBondContact O-N 2.85Å; T149-V151 PolarHBondContact O-N 3.3Å; V151-S154 PolarHBondContact O-N 3.05Å; V151-L155 PolarHBondContact O-N 2.86Å
152	G	92.6	Very high	91.5	Very high	25 Å²	25	51.5 Å²	51.5	26%	0.258	27%	0.273	S	S	.	.	H	α-helix	trans	-59.6	-49.5	179.6	0	0	0	0	0	112.5	Q148 T149 S154 L155 Y156	Q148-G152 PolarHBondContact O-N 3.44Å; T149-G152 PolarHBondContact O-N 3.38Å; G152-S154 VanDerWaalsContact C-N 3.32Å; G152-S154 PolarHBondContact O-N 3.3Å; G152-L155 WeakPolarHBondContact O-CB 3.41Å; G152-L155 PolarHBondContact O-N 2.97Å; G152-Y156 WeakPolarHBondContact O-CD2 3.24Å; G152-Y156 WeakPolarHBondContact O-CE2 3.49Å
153	I	94.2	Very high	91.6	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65.6	-36.1	177.8	-67.7	179.9	0	0	0	111.5	T149 L155 Y156 L164 Y172 I216 I219 L220 L225	T149-I153 HydrophobicContact CG2-CD1 4.01Å; T149-I153 HydrophobicContact CG2-CG1 4.49Å; T149-I153 WeakPolarHBondContact O-CG1 3.42Å; T149-I153 PolarHBondContact O-N 3.48Å; I153-L155 PolarHBondContact O-N 2.67Å; I153-L155 VanDerWaalsContact O-N 3.13Å; I153-Y156 PolarHBondContact O-N 2.72Å; I153-L164 HydrophobicContact CG2-CD1 3.47Å; I153-L164 VanDerWaalsContact CG2-CD1 3.47Å; I153-L164 HydrophobicContact CG2-CG 4.33Å; I153-Y172 HydrophobicContact CD1-CE1 4.14Å; I153-Y172 HydrophobicContact CG1-CD2 4.28Å; I153-Y172 HydrophobicContact CG1-CE1 4.05Å; I153-Y172 HydrophobicContact CG1-CE2 3.78Å; I153-I216 HydrophobicContact CB-CG2 4.27Å; I153-I216 HydrophobicContact CG2-CD1 4.46Å; I153-I216 HydrophobicContact CG2-CG1 4.11Å; I153-I216 HydrophobicContact CG2-CG2 3.78Å; I153-I219 HydrophobicContact CD1-CG2 4.17Å; I153-L220 HydrophobicContact CD1-CD2 4.25Å; I153-L225 HydrophobicContact CD1-CD2 3.47Å; I153-L225 VanDerWaalsContact CD1-CD2 3.47Å
154	S	94.5	Very high	91.7	Very high	14 Å²	14	44.3 Å²	44.3	10%	0.098	24%	0.24	C	C	.	.	H	α-helix	trans	-64.3	-16.1	178.3	-60.3	0	0	0	0	113.9	H150 V151 G152 Y156 D157	H150-S154 VanDerWaalsContact O-CB 3.29Å; H150-S154 WeakPolarHBondContact O-CB 3.38Å; H150-S154 PolarHBondContact O-N 2.72Å; H150-S154 PolarHBondContact O-OG 3.32Å; V151-S154 PolarHBondContact O-N 3.05Å; G152-S154 VanDerWaalsContact C-N 3.32Å; G152-S154 PolarHBondContact O-N 3.3Å; S154-Y156 PolarHBondContact O-N 3.1Å; S154-D157 PolarHBondContact O-N 3.01Å
155	L	92.4	Very high	91.7	Very high	91 Å²	91	49.2 Å²	49.2	48%	0.476	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-25.6	174.2	-68	166.6	0	0	0	112	L58 V151 G152 I153	L58-L155 HydrophobicContact CB-CD2 4.2Å; L58-L155 HydrophobicContact CD1-CD2 3.63Å; L58-L155 HydrophobicContact CD1-CG 4.08Å; V151-L155 PolarHBondContact O-N 2.86Å; G152-L155 WeakPolarHBondContact O-CB 3.41Å; G152-L155 PolarHBondContact O-N 2.97Å; I153-L155 PolarHBondContact O-N 2.67Å; I153-L155 VanDerWaalsContact O-N 3.13Å
156	Y	93.8	Very high	91.8	Very high	43 Å²	43	47.5 Å²	47.5	17%	0.169	25%	0.254	C	S	.	.	S	Bend	trans	-91.3	-10.9	-179.4	-57.5	-95.5	0	0	0	113.2	G152 I153 S154 V158 D168 N171 Y172 E175	G152-Y156 WeakPolarHBondContact O-CD2 3.24Å; G152-Y156 WeakPolarHBondContact O-CE2 3.49Å; I153-Y156 PolarHBondContact O-N 2.72Å; S154-Y156 PolarHBondContact O-N 3.1Å; Y156-V158 VanDerWaalsContact C-N 3.32Å; Y156-V158 PolarHBondContact O-N 2.87Å; Y156-D168 WeakPolarHBondContact O-CB 3.47Å; Y156-N171 HydrophobicContact CD1-CB 3.98Å; Y156-N171 HydrophobicContact CE1-CB 4.36Å; Y156-Y172 AromaticContact CD2-CD2 3.81Å; Y156-Y172 HydrophobicContact CD2-CD2 3.81Å; Y156-Y172 HydrophobicContact CD2-CG 4.32Å; Y156-Y172 AromaticContact CE2-CD2 3.46Å; Y156-Y172 HydrophobicContact CE2-CD2 3.46Å; Y156-Y172 VanDerWaalsContact CE2-CD2 3.46Å; Y156-Y172 HydrophobicContact CE2-CE2 4.33Å; Y156-Y172 HydrophobicContact CE2-CG 4.29Å; Y156-Y172 AromaticContact CZ-CD2 3.94Å; Y156-E175 PolarHBondContact OH-OE2 3.35Å
157	D	92.3	Very high	92	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.032	26%	0.256	C	S	.	.			trans	-71	88.1	172.9	172.6	7.4	0	0	0	109.6	R54 S154 C159 G160 E161 G162 Y163 L164 I216	R54-D157 PolarHBondContact NE-O 3.42Å; R54-D157 PolarHBondContact NH1-O 3.46Å; R54-D157 PolarHBondContact NH2-O 3.3Å; S154-D157 PolarHBondContact O-N 3.01Å; D157-C159 VanDerWaalsContact C-N 3.25Å; D157-C159 PolarHBondContact O-N 2.85Å; D157-C159 PolarHBondContact OD1-N 2.91Å; D157-G160 VanDerWaalsContact CG-CA 3.5Å; D157-G160 VanDerWaalsContact CG-N 3.29Å; D157-G160 PolarHBondContact O-N 3.37Å; D157-G160 VanDerWaalsContact O-N 3.15Å; D157-G160 WeakPolarHBondContact OD1-CA 3.33Å; D157-G160 PolarHBondContact OD1-N 2.68Å; D157-G160 VanDerWaalsContact OD2-C 3.22Å; D157-G160 WeakPolarHBondContact OD2-CA 3.4Å; D157-G160 PolarHBondContact OD2-N 3.33Å; D157-E161 PolarHBondContact OD1-N 2.88Å; D157-E161 PolarHBondContact OD2-N 3.19Å; D157-G162 WeakPolarHBondContact OD2-CA 3.45Å; D157-G162 PolarHBondContact OD2-N 3.22Å; D157-Y163 VanDerWaalsContact CG-O 3.25Å; D157-Y163 VanDerWaalsContact OD1-O 3.12Å; D157-L164 HydrophobicContact CB-CD2 3.75Å; D157-I216 HydrophobicContact CB-CD1 4.06Å
158	V	82.4	Confident	92.1	Very high	85 Å²	85	44.3 Å²	44.3	52%	0.515	24%	0.242	S	C	.	.	S	Bend	trans	-58	-37.5	-176.2	179.3	0	0	0	0	111.6	R54 Y156 D168	R54-V158 VanDerWaalsContact NH1-C 3.29Å; R54-V158 PolarHBondContact NH1-O 2.94Å; Y156-V158 VanDerWaalsContact C-N 3.32Å; Y156-V158 PolarHBondContact O-N 2.87Å; V158-D168 WeakPolarHBondContact CG2-OD1 3.41Å
159	C	80.4	Confident	92.2	Very high	34 Å²	34	40.9 Å²	40.9	23%	0.23	23%	0.226	C	C	.	.	S	Bend	trans	-78.5	-25.3	-178.6	-60.8	0	0	0	0	113	R50 D157 E161	R50-C159 PolarHBondContact NE-O 2.83Å; R50-C159 VanDerWaalsContact NE-O 3.17Å; R50-C159 PolarHBondContact NH2-O 3.48Å; D157-C159 VanDerWaalsContact C-N 3.25Å; D157-C159 PolarHBondContact O-N 2.85Å; D157-C159 PolarHBondContact OD1-N 2.91Å; C159-E161 VanDerWaalsContact C-N 3.33Å; C159-E161 HydrophobicContact CB-CG 4.03Å
160	G	84.5	Confident	92.4	Very high	29 Å²	29	43 Å²	43	30%	0.299	23%	0.234	S	C	.	.			trans	70.1	29.2	-176.2	0	0	0	0	0	112.9	R54 D157	R54-G160 VanDerWaalsContact NH1-N 3.18Å; D157-G160 VanDerWaalsContact CG-CA 3.5Å; D157-G160 VanDerWaalsContact CG-N 3.29Å; D157-G160 PolarHBondContact O-N 3.37Å; D157-G160 VanDerWaalsContact O-N 3.15Å; D157-G160 WeakPolarHBondContact OD1-CA 3.33Å; D157-G160 PolarHBondContact OD1-N 2.68Å; D157-G160 VanDerWaalsContact OD2-C 3.22Å; D157-G160 WeakPolarHBondContact OD2-CA 3.4Å; D157-G160 PolarHBondContact OD2-N 3.33Å
161	E	87.3	Confident	92.5	Very high	99 Å²	99	43.6 Å²	43.6	46%	0.463	24%	0.24	S	C	.	.	S	Bend	trans	-99.1	-0.3	-177.3	-64.6	-167.8	124.4	0	0	113.1	V38 D157 C159 Y163	V38-E161 HydrophobicContact CG2-CG 4.08Å; D157-E161 PolarHBondContact OD1-N 2.88Å; D157-E161 PolarHBondContact OD2-N 3.19Å; C159-E161 VanDerWaalsContact C-N 3.33Å; C159-E161 HydrophobicContact CB-CG 4.03Å; E161-Y163 HydrophobicContact CB-CD2 4.04Å; E161-Y163 VanDerWaalsContact O-CD2 3.26Å; E161-Y163 WeakPolarHBondContact O-CD2 3.46Å; E161-Y163 WeakPolarHBondContact O-CE2 3.34Å
162	G	92.4	Very high	92.6	Very high	33 Å²	33	43.9 Å²	43.9	34%	0.34	24%	0.24	S	C	.	.	S	Bend	trans	85.5	15.7	-175.8	0	0	0	0	0	113.9	D157 I216	D157-G162 WeakPolarHBondContact OD2-CA 3.45Å; D157-G162 PolarHBondContact OD2-N 3.22Å; G162-I216 PolarHBondContact O-N 2.84Å
163	Y	94.8	Very high	92.8	Very high	78 Å²	78	42.7 Å²	42.7	31%	0.306	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	148	-179.7	-62	-98.5	0	0	0	110.6	D157 E161 R213 V214 R215	D157-Y163 VanDerWaalsContact CG-O 3.25Å; D157-Y163 VanDerWaalsContact OD1-O 3.12Å; E161-Y163 HydrophobicContact CB-CD2 4.04Å; E161-Y163 VanDerWaalsContact O-CD2 3.26Å; E161-Y163 WeakPolarHBondContact O-CD2 3.46Å; E161-Y163 WeakPolarHBondContact O-CE2 3.34Å; Y163-R213 HydrophobicContact CD1-CB 4.27Å; Y163-R213 HydrophobicContact CD1-CG 3.95Å; Y163-R213 HydrophobicContact CG-CG 4.47Å; Y163-V214 CarbonylContact C-O 3.44Å; Y163-V214 VanDerWaalsContact CA-O 3.24Å; Y163-V214 WeakPolarHBondContact CA-O 3.34Å; Y163-R215 HydrophobicContact CD1-CB 4.41Å; Y163-R215 HydrophobicContact CD1-CG 3.64Å; Y163-R215 HydrophobicContact CE1-CB 4.37Å; Y163-R215 HydrophobicContact CE1-CG 3.18Å
164	L	96.3	Very high	92.8	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	132.8	167.2	-63	-172.5	0	0	0	110	I153 D157 D168 L169 R213 V214 I216 I219	I153-L164 HydrophobicContact CG2-CD1 3.47Å; I153-L164 VanDerWaalsContact CG2-CD1 3.47Å; I153-L164 HydrophobicContact CG2-CG 4.33Å; D157-L164 HydrophobicContact CB-CD2 3.75Å; L164-D168 HydrophobicContact CB-CB 4.15Å; L164-D168 HydrophobicContact CD2-CB 3.92Å; L164-L169 HydrophobicContact CD1-CB 4.47Å; L164-L169 HydrophobicContact CD1-CD1 3.9Å; L164-R213 CarbonylContact O-C 3.47Å; L164-R213 WeakPolarHBondContact O-CA 3.36Å; L164-V214 PolarHBondContact N-O 3.41Å; L164-V214 PolarHBondContact O-N 2.93Å; L164-I216 HydrophobicContact CD2-CD1 4.39Å; L164-I216 HydrophobicContact CD2-CG1 4.39Å; L164-I216 HydrophobicContact CG-CG1 3.97Å; L164-I219 HydrophobicContact CD1-CD1 3.96Å; L164-I219 HydrophobicContact CG-CD1 4.45Å
165	R	95.7	Very high	92.8	Very high	105 Å²	105	51.3 Å²	51.3	40%	0.396	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	171.4	162.6	-59	168.7	-63.6	173.1	8.2	109.2	T167 D168 L169 F203	R165-T167 VanDerWaalsContact C-N 3.35Å; R165-T167 PolarHBondContact O-N 2.95Å; R165-D168 VanDerWaalsContact CB-OD2 3.29Å; R165-D168 WeakPolarHBondContact CB-OD2 3.41Å; R165-D168 IonicContact CZ-OD1 3.55Å; R165-D168 IonicContact CZ-OD2 2.7Å; R165-D168 PolarHBondContact N-OD2 3.08Å; R165-D168 IonicContact NE-OD1 2.72Å; R165-D168 IonicContact NE-OD2 2.99Å; R165-D168 PolarHBondContact NE-OD2 3.29Å; R165-D168 IonicContact NH2-OD1 2.88Å; R165-D168 PolarHBondContact NH2-OD1 3.5Å; R165-D168 IonicContact NH2-OD2 3.92Å; R165-D168 WeakPolarHBondContact O-CB 3.37Å; R165-D168 PolarHBondContact O-N 3.07Å; R165-L169 PolarHBondContact O-N 2.92Å; R165-F203 VanDerWaalsContact C-CZ 3.41Å
166	E	95.5	Very high	92.9	Very high	40 Å²	40	47.5 Å²	47.5	19%	0.187	25%	0.248	C	C	.	.	H	α-helix	trans	-58.7	-47.8	-175.6	-160.1	164.9	-168.2	0	0	111.7	D168 L169 E170 V199 R200 F203 K304	E166-D168 VanDerWaalsContact C-N 3.25Å; E166-D168 PolarHBondContact O-N 3.13Å; E166-L169 PolarHBondContact O-N 3.04Å; E166-L169 VanDerWaalsContact O-N 3.14Å; E166-E170 VanDerWaalsContact O-CG 3.29Å; E166-E170 WeakPolarHBondContact O-CG 3.29Å; E166-E170 PolarHBondContact O-N 3.04Å; E166-V199 HydrophobicContact CG-CG1 3.54Å; E166-R200 IonicContact OE1-NH1 3.08Å; E166-R200 PolarHBondContact OE1-NH1 2.87Å; E166-F203 VanDerWaalsContact CA-CZ 3.45Å; E166-F203 HydrophobicContact CB-CE1 4.35Å; E166-F203 HydrophobicContact CB-CE2 4.07Å; E166-F203 HydrophobicContact CB-CZ 3.95Å; E166-F203 HydrophobicContact CG-CD2 4.33Å; E166-F203 HydrophobicContact CG-CE2 4.17Å; E166-K304 WeakPolarHBondContact OE1-CE 3.1Å; E166-K304 IonicContact OE1-NZ 2.73Å; E166-K304 PolarHBondContact OE1-NZ 2.89Å; E166-K304 IonicContact OE2-NZ 2.67Å; E166-K304 PolarHBondContact OE2-NZ 2.86Å
167	T	95.6	Very high	93	Very high	72 Å²	72	45.7 Å²	45.7	44%	0.442	24%	0.241	S	C	.	.	H	α-helix	trans	-59	-35.8	175.4	55.5	0	0	0	0	113.1	R165 N171	R165-T167 VanDerWaalsContact C-N 3.35Å; R165-T167 PolarHBondContact O-N 2.95Å; T167-N171 PolarHBondContact O-N 2.82Å; T167-N171 PolarHBondContact O-ND2 2.89Å
168	D	96.1	Very high	93.1	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.016	27%	0.267	C	S	.	.	H	α-helix	trans	-68.7	-41.1	-179.4	-53.1	-31	0	0	0	109.7	Y156 V158 L164 R165 E166 Y172	Y156-D168 WeakPolarHBondContact O-CB 3.47Å; V158-D168 WeakPolarHBondContact CG2-OD1 3.41Å; L164-D168 HydrophobicContact CB-CB 4.15Å; L164-D168 HydrophobicContact CD2-CB 3.92Å; R165-D168 VanDerWaalsContact CB-OD2 3.29Å; R165-D168 WeakPolarHBondContact CB-OD2 3.41Å; R165-D168 IonicContact CZ-OD1 3.55Å; R165-D168 IonicContact CZ-OD2 2.7Å; R165-D168 PolarHBondContact N-OD2 3.08Å; R165-D168 IonicContact NE-OD1 2.72Å; R165-D168 IonicContact NE-OD2 2.99Å; R165-D168 PolarHBondContact NE-OD2 3.29Å; R165-D168 IonicContact NH2-OD1 2.88Å; R165-D168 PolarHBondContact NH2-OD1 3.5Å; R165-D168 IonicContact NH2-OD2 3.92Å; R165-D168 WeakPolarHBondContact O-CB 3.37Å; R165-D168 PolarHBondContact O-N 3.07Å; E166-D168 VanDerWaalsContact C-N 3.25Å; E166-D168 PolarHBondContact O-N 3.13Å; D168-Y172 PolarHBondContact O-N 2.88Å
169	L	96.4	Very high	93.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-71.9	-38.8	175.6	-167.7	61.7	0	0	0	112.1	L164 R165 E166 N171 Y172 M173 V199 F202 F203 I219	L164-L169 HydrophobicContact CD1-CB 4.47Å; L164-L169 HydrophobicContact CD1-CD1 3.9Å; R165-L169 PolarHBondContact O-N 2.92Å; E166-L169 PolarHBondContact O-N 3.04Å; E166-L169 VanDerWaalsContact O-N 3.14Å; L169-N171 VanDerWaalsContact C-N 3.33Å; L169-N171 PolarHBondContact O-N 2.84Å; L169-Y172 HydrophobicContact CD1-CD1 4.02Å; L169-Y172 WeakPolarHBondContact O-CB 3.43Å; L169-Y172 PolarHBondContact O-N 3.36Å; L169-M173 HydrophobicContact CD1-CE 3.78Å; L169-M173 HydrophobicContact CD2-CE 4.3Å; L169-M173 HydrophobicContact CG-CE 3.94Å; L169-M173 HydrophobicContact CG-CG 4.47Å; L169-M173 WeakPolarHBondContact O-CG 3.42Å; L169-M173 PolarHBondContact O-N 3.21Å; L169-V199 HydrophobicContact CB-CG2 4.48Å; L169-V199 HydrophobicContact CD2-CG1 4.26Å; L169-V199 HydrophobicContact CD2-CG2 4.39Å; L169-V199 HydrophobicContact CG-CG2 4.19Å; L169-F202 HydrophobicContact CD2-CB 3.63Å; L169-F202 HydrophobicContact CD2-CD1 4.39Å; L169-F202 HydrophobicContact CD2-CD2 3.87Å; L169-F202 HydrophobicContact CD2-CG 3.71Å; L169-F203 HydrophobicContact CB-CE2 4.33Å; L169-F203 HydrophobicContact CD2-CD2 4.37Å; L169-F203 HydrophobicContact CD2-CE2 4Å; L169-I219 HydrophobicContact CD1-CD1 4.25Å
170	E	96.7	Very high	94.3	Very high	61 Å²	61	47.1 Å²	47.1	29%	0.285	25%	0.251	S	S	.	.	H	α-helix	trans	-56.3	-46.3	173.5	-71.9	173.6	171.6	0	0	111.5	E166 Y172 M173 L174 V195 V199	E166-E170 VanDerWaalsContact O-CG 3.29Å; E166-E170 WeakPolarHBondContact O-CG 3.29Å; E166-E170 PolarHBondContact O-N 3.04Å; E170-Y172 VanDerWaalsContact C-N 3.35Å; E170-Y172 PolarHBondContact O-N 3.4Å; E170-M173 WeakPolarHBondContact O-CB 3.43Å; E170-M173 PolarHBondContact O-N 3.21Å; E170-L174 WeakPolarHBondContact O-CG 3.05Å; E170-L174 PolarHBondContact O-N 2.52Å; E170-V195 HydrophobicContact CB-CG1 3.91Å; E170-V195 HydrophobicContact CG-CG1 3.79Å; E170-V199 HydrophobicContact CG-CB 4.43Å; E170-V199 HydrophobicContact CG-CG1 4.28Å; E170-V199 HydrophobicContact CG-CG2 3.85Å
171	N	96.1	Very high	94.7	Very high	81 Å²	81	48.8 Å²	48.8	43%	0.433	26%	0.257	S	S	.	.	H	α-helix	trans	-60.9	-43.4	176.7	-71.1	-33.5	0	0	0	112	Y156 T167 L169 M173 L174 E175	Y156-N171 HydrophobicContact CD1-CB 3.98Å; Y156-N171 HydrophobicContact CE1-CB 4.36Å; T167-N171 PolarHBondContact O-N 2.82Å; T167-N171 PolarHBondContact O-ND2 2.89Å; L169-N171 VanDerWaalsContact C-N 3.33Å; L169-N171 PolarHBondContact O-N 2.84Å; N171-M173 VanDerWaalsContact C-N 3.34Å; N171-M173 PolarHBondContact O-N 3.27Å; N171-L174 PolarHBondContact O-N 3.1Å; N171-E175 PolarHBondContact O-N 3.08Å
172	Y	95.7	Very high	95	Very high	22 Å²	22	46.9 Å²	46.9	9%	0.086	25%	0.248	C	C	.	.	H	α-helix	trans	-59.5	-44.7	173.9	172.9	-109.2	0	0	0	112	I153 Y156 D168 L169 E170 E175 L176 L225	I153-Y172 HydrophobicContact CD1-CE1 4.14Å; I153-Y172 HydrophobicContact CG1-CD2 4.28Å; I153-Y172 HydrophobicContact CG1-CE1 4.05Å; I153-Y172 HydrophobicContact CG1-CE2 3.78Å; Y156-Y172 AromaticContact CD2-CD2 3.81Å; Y156-Y172 HydrophobicContact CD2-CD2 3.81Å; Y156-Y172 HydrophobicContact CD2-CG 4.32Å; Y156-Y172 AromaticContact CE2-CD2 3.46Å; Y156-Y172 HydrophobicContact CE2-CD2 3.46Å; Y156-Y172 VanDerWaalsContact CE2-CD2 3.46Å; Y156-Y172 HydrophobicContact CE2-CE2 4.33Å; Y156-Y172 HydrophobicContact CE2-CG 4.29Å; Y156-Y172 AromaticContact CZ-CD2 3.94Å; D168-Y172 PolarHBondContact O-N 2.88Å; L169-Y172 HydrophobicContact CD1-CD1 4.02Å; L169-Y172 WeakPolarHBondContact O-CB 3.43Å; L169-Y172 PolarHBondContact O-N 3.36Å; E170-Y172 VanDerWaalsContact C-N 3.35Å; E170-Y172 PolarHBondContact O-N 3.4Å; Y172-E175 PolarHBondContact O-N 3.13Å; Y172-L176 HydrophobicContact CE1-CD2 3.99Å; Y172-L176 WeakPolarHBondContact O-CB 3.49Å; Y172-L176 PolarHBondContact O-N 3.15Å; Y172-L225 HydrophobicContact CE1-CD1 3.88Å
173	M	95.2	Very high	95.1	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-63.2	-44	179.1	-65.6	-65.8	168.4	0	0	111.7	L169 E170 N171 E175 L176 I177 V195 V199 F202 M228	L169-M173 HydrophobicContact CD1-CE 3.78Å; L169-M173 HydrophobicContact CD2-CE 4.3Å; L169-M173 HydrophobicContact CG-CE 3.94Å; L169-M173 HydrophobicContact CG-CG 4.47Å; L169-M173 WeakPolarHBondContact O-CG 3.42Å; L169-M173 PolarHBondContact O-N 3.21Å; E170-M173 WeakPolarHBondContact O-CB 3.43Å; E170-M173 PolarHBondContact O-N 3.21Å; N171-M173 VanDerWaalsContact C-N 3.34Å; N171-M173 PolarHBondContact O-N 3.27Å; M173-E175 VanDerWaalsContact C-N 3.29Å; M173-E175 PolarHBondContact O-N 2.94Å; M173-L176 PolarHBondContact O-N 3.4Å; M173-L176 VanDerWaalsContact O-N 3.14Å; M173-I177 WeakPolarHBondContact O-CD1 3.16Å; M173-I177 WeakPolarHBondContact O-CG1 3.33Å; M173-I177 PolarHBondContact O-N 2.79Å; M173-V195 HydrophobicContact CB-CG1 4.3Å; M173-V195 HydrophobicContact CB-CG2 4.45Å; M173-V199 HydrophobicContact CG-CG2 3.84Å; M173-F202 HydrophobicContact CE-CD2 3.91Å; M173-F202 HydrophobicContact CE-CE2 3.29Å; M173-F202 HydrophobicContact CE-CZ 3.78Å; M173-M228 HydrophobicContact CE-SD 3.93Å; M173-M228 HydrophobicContact SD-CE 3.34Å; M173-M228 WeakPolarHBondContact SD-CE 3.35Å; M173-M228 HydrophobicContact SD-SD 3.23Å
174	L	95.5	Very high	94.8	Very high	69 Å²	69	44.8 Å²	44.8	36%	0.361	24%	0.24	S	C	.	.	H	α-helix	trans	-59	-39	178.4	-74.4	170.1	0	0	0	112.4	E170 N171 P178 Q191 V195	E170-L174 WeakPolarHBondContact O-CG 3.05Å; E170-L174 PolarHBondContact O-N 2.52Å; N171-L174 PolarHBondContact O-N 3.1Å; L174-P178 VanDerWaalsContact O-CD 3.24Å; L174-P178 WeakPolarHBondContact O-CD 3.46Å; L174-Q191 HydrophobicContact CD2-CG 4.01Å; L174-V195 HydrophobicContact CD2-CG2 3.74Å; L174-V195 HydrophobicContact CG-CG2 4.15Å
175	E	93.8	Very high	94.5	Very high	125 Å²	125	53.6 Å²	53.6	58%	0.584	28%	0.281	S	S	*	.	H	α-helix	trans	-78	-28.5	176.2	-70.9	-173.2	-155.7	0	0	113.1	Y156 N171 Y172 M173	Y156-E175 PolarHBondContact OH-OE2 3.35Å; N171-E175 PolarHBondContact O-N 3.08Å; Y172-E175 PolarHBondContact O-N 3.13Å; M173-E175 VanDerWaalsContact C-N 3.29Å; M173-E175 PolarHBondContact O-N 2.94Å
176	L	94.2	Very high	94.2	Very high	12 Å²	12	49.6 Å²	49.6	6%	0.063	27%	0.267	C	S	.	.	H	α-helix	trans	-74.3	-40	178.9	-174.7	64.2	0	0	0	112.3	Y172 M173 T179 L180 L225 M228 L229	Y172-L176 HydrophobicContact CE1-CD2 3.99Å; Y172-L176 WeakPolarHBondContact O-CB 3.49Å; Y172-L176 PolarHBondContact O-N 3.15Å; M173-L176 PolarHBondContact O-N 3.4Å; M173-L176 VanDerWaalsContact O-N 3.14Å; L176-T179 WeakPolarHBondContact CD1-OG1 3.15Å; L176-T179 WeakPolarHBondContact O-CA 3.41Å; L176-T179 WeakPolarHBondContact O-CB 3.3Å; L176-T179 PolarHBondContact O-N 3.33Å; L176-T179 PolarHBondContact O-OG1 2.94Å; L176-L180 HydrophobicContact CD1-CD2 4.43Å; L176-L180 HydrophobicContact CD2-CD1 4.34Å; L176-L180 HydrophobicContact CG-CD1 4.06Å; L176-L180 HydrophobicContact CG-CD2 4.34Å; L176-L180 HydrophobicContact CG-CG 4.25Å; L176-L225 HydrophobicContact CD2-CD1 4.37Å; L176-M228 HydrophobicContact CD2-CE 3.99Å; L176-M228 HydrophobicContact CD2-CG 4.3Å; L176-M228 HydrophobicContact CD2-SD 3.64Å; L176-L229 HydrophobicContact CD1-CD2 3.94Å; L176-L229 HydrophobicContact CD2-CD2 4.33Å
177	I	95.4	Very high	94.1	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.026	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-48.9	-49.4	-174.4	-77.8	160.6	0	0	0	113.5	M173 T179 L180 L183 L186 Q191 Y194 V195	M173-I177 WeakPolarHBondContact O-CD1 3.16Å; M173-I177 WeakPolarHBondContact O-CG1 3.33Å; M173-I177 PolarHBondContact O-N 2.79Å; I177-T179 PolarHBondContact O-N 3.23Å; I177-L180 PolarHBondContact O-N 2.81Å; I177-L183 HydrophobicContact CG2-CB 4.23Å; I177-L186 HydrophobicContact CD1-CD1 4.49Å; I177-L186 HydrophobicContact CG2-CD1 3.83Å; I177-Q191 HydrophobicContact CD1-CG 4.47Å; I177-Y194 HydrophobicContact CD1-CD1 3.65Å; I177-Y194 HydrophobicContact CD1-CE1 3.74Å; I177-Y194 HydrophobicContact CG1-CD1 4.3Å; I177-Y194 HydrophobicContact CG1-CE1 3.92Å; I177-V195 HydrophobicContact CD1-CG2 3.65Å
178	P	94.3	Very high	93.8	Very high	87 Å²	87	54.7 Å²	54.7	57%	0.565	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-60.2	-19.9	178.9	-25.7	35	0	0	0	114.5	L174	L174-P178 VanDerWaalsContact O-CD 3.24Å; L174-P178 WeakPolarHBondContact O-CD 3.46Å
179	T	93.4	Very high	93.4	Very high	67 Å²	67	58.9 Å²	58.9	41%	0.411	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-87.7	-7.4	178.3	79	0	0	0	0	113.5	L176 I177 R232	L176-T179 WeakPolarHBondContact CD1-OG1 3.15Å; L176-T179 WeakPolarHBondContact O-CA 3.41Å; L176-T179 WeakPolarHBondContact O-CB 3.3Å; L176-T179 PolarHBondContact O-N 3.33Å; L176-T179 PolarHBondContact O-OG1 2.94Å; I177-T179 PolarHBondContact O-N 3.23Å; T179-R232 PolarHBondContact OG1-NH2 2.92Å
180	L	95	Very high	93.3	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.325	C	S	.	.			trans	-100.4	110.8	-177.6	-55.8	179.4	0	0	0	108.7	L176 I177 Q182 L183 S184 M228 L229 L231 R232	L176-L180 HydrophobicContact CD1-CD2 4.43Å; L176-L180 HydrophobicContact CD2-CD1 4.34Å; L176-L180 HydrophobicContact CG-CD1 4.06Å; L176-L180 HydrophobicContact CG-CD2 4.34Å; L176-L180 HydrophobicContact CG-CG 4.25Å; I177-L180 PolarHBondContact O-N 2.81Å; L180-Q182 PolarHBondContact O-N 3.4Å; L180-Q182 VanDerWaalsContact O-N 3.15Å; L180-L183 HydrophobicContact CB-CB 4.12Å; L180-L183 HydrophobicContact CB-CD1 4.18Å; L180-L183 HydrophobicContact CB-CG 4.34Å; L180-L183 HydrophobicContact CD1-CD1 3.65Å; L180-L183 CarbonylContact O-C 3.53Å; L180-L183 PolarHBondContact O-N 3.14Å; L180-S184 PolarHBondContact O-N 3.41Å; L180-M228 HydrophobicContact CD1-CE 3.75Å; L180-M228 HydrophobicContact CD1-CG 3.88Å; L180-L229 HydrophobicContact CD2-CD2 4.24Å; L180-L231 CarbonylContact C-O 3.51Å; L180-L231 HydrophobicContact CB-CB 4.28Å; L180-R232 HydrophobicContact CD2-CG 3.4Å
181	C	93.5	Very high	93.2	Very high	64 Å²	64	59.5 Å²	59.5	43%	0.432	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-36.4	-175.2	-66.1	0	0	0	0	113.5	L183 S184 L231 R232 V234	C181-L183 PolarHBondContact O-N 3.04Å; C181-S184 PolarHBondContact O-OG 2.94Å; C181-L231 PolarHBondContact N-O 3.2Å; C181-L231 VanDerWaalsContact N-O 3.16Å; C181-R232 PolarHBondContact SG-O 3.05Å; C181-R232 VanDerWaalsContact SG-O 3.33Å; C181-V234 HydrophobicContact CB-CG2 4.07Å
182	Q	93.2	Very high	93	Very high	59 Å²	59	60.6 Å²	60.6	28%	0.276	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-6.4	-179.7	-56.9	-63	-24.5	0	0	113.7	L180 L231 E233 V234 L241	L180-Q182 PolarHBondContact O-N 3.4Å; L180-Q182 VanDerWaalsContact O-N 3.15Å; Q182-L231 HydrophobicContact CB-CB 4.17Å; Q182-L231 HydrophobicContact CB-CD2 4.28Å; Q182-L231 HydrophobicContact CG-CB 4.45Å; Q182-L231 HydrophobicContact CG-CD2 4.48Å; Q182-L231 WeakPolarHBondContact CG-O 3.31Å; Q182-L231 PolarHBondContact N-O 3.46Å; Q182-E233 PolarHBondContact NE2-O 3.42Å; Q182-V234 PolarHBondContact NE2-O 2.84Å; Q182-L241 HydrophobicContact CG-CD2 4.17Å
183	L	94.1	Very high	93	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.01	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.4	-5.6	-175.6	-59.1	178.2	0	0	0	113.7	I177 L180 C181 E185 L186 Y194 L231 H248	I177-L183 HydrophobicContact CG2-CB 4.23Å; L180-L183 HydrophobicContact CB-CB 4.12Å; L180-L183 HydrophobicContact CB-CD1 4.18Å; L180-L183 HydrophobicContact CB-CG 4.34Å; L180-L183 HydrophobicContact CD1-CD1 3.65Å; L180-L183 CarbonylContact O-C 3.53Å; L180-L183 PolarHBondContact O-N 3.14Å; C181-L183 PolarHBondContact O-N 3.04Å; L183-E185 PolarHBondContact O-N 3.07Å; L183-E185 VanDerWaalsContact O-N 3.13Å; L183-L186 HydrophobicContact CB-CD1 3.86Å; L183-L186 HydrophobicContact CB-CG 4.5Å; L183-L186 HydrophobicContact CD2-CD1 4.13Å; L183-L186 HydrophobicContact CG-CD1 4.46Å; L183-L186 WeakPolarHBondContact O-CB 3.41Å; L183-L186 WeakPolarHBondContact O-CD1 2.91Å; L183-L186 WeakPolarHBondContact O-CG 3.4Å; L183-L186 PolarHBondContact O-N 3.26Å; L183-L186 VanDerWaalsContact O-N 3.12Å; L183-Y194 HydrophobicContact CD1-CE1 4Å; L183-Y194 HydrophobicContact CD1-CE2 4.19Å; L183-Y194 VanDerWaalsContact CD1-CZ 3.49Å; L183-Y194 WeakPolarHBondContact CD1-OH 3.45Å; L183-Y194 HydrophobicContact CD2-CE2 3.81Å; L183-L231 HydrophobicContact CD1-CD1 3.65Å; L183-L231 HydrophobicContact CD2-CD1 4.46Å; L183-L231 HydrophobicContact CG-CD1 4.08Å; L183-H248 HydrophobicContact CD2-CB 3.85Å
184	S	90.1	Very high	93.1	Very high	66 Å²	66	62.9 Å²	62.9	46%	0.462	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-21.1	-175.8	54.7	0	0	0	0	113.7	L180 C181	L180-S184 PolarHBondContact O-N 3.41Å; C181-S184 PolarHBondContact O-OG 2.94Å
185	E	88.3	Confident	93.2	Very high	185 Å²	185	59.9 Å²	59.9	86%	0.864	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	18.5	179.6	-59.3	-173.1	171.2	0	0	113.1	L183 E187	L183-E185 PolarHBondContact O-N 3.07Å; L183-E185 VanDerWaalsContact O-N 3.13Å; E185-E187 PolarHBondContact O-N 3.03Å
186	L	90.7	Very high	93.3	Very high	20 Å²	20	55.1 Å²	55.1	11%	0.105	31%	0.309	C	S	.	.			trans	-54.8	131.4	173.9	-93.8	162.2	0	0	0	111.3	I177 L183 F190 Y194 H248	I177-L186 HydrophobicContact CD1-CD1 4.49Å; I177-L186 HydrophobicContact CG2-CD1 3.83Å; L183-L186 HydrophobicContact CB-CD1 3.86Å; L183-L186 HydrophobicContact CB-CG 4.5Å; L183-L186 HydrophobicContact CD2-CD1 4.13Å; L183-L186 HydrophobicContact CG-CD1 4.46Å; L183-L186 WeakPolarHBondContact O-CB 3.41Å; L183-L186 WeakPolarHBondContact O-CD1 2.91Å; L183-L186 WeakPolarHBondContact O-CG 3.4Å; L183-L186 PolarHBondContact O-N 3.26Å; L183-L186 VanDerWaalsContact O-N 3.12Å; L186-F190 HydrophobicContact CD2-CD1 3.52Å; L186-F190 HydrophobicContact CD2-CE1 4.02Å; L186-Y194 HydrophobicContact CD1-CD1 3.88Å; L186-Y194 HydrophobicContact CD1-CD2 4.22Å; L186-Y194 HydrophobicContact CD1-CE1 4.3Å; L186-Y194 HydrophobicContact CD1-CG 3.88Å; L186-Y194 HydrophobicContact CD2-CD2 4.38Å; L186-Y194 HydrophobicContact CD2-CG 4.28Å; L186-H248 WeakPolarHBondContact CD2-ND1 3.39Å
187	E	92.2	Very high	93.5	Very high	119 Å²	119	54.7 Å²	54.7	56%	0.556	31%	0.306	S	S	*	.			trans	-62.6	133.4	173.8	-167.9	-173.6	158.3	0	0	110.1	E185 T189 F190 Q191	E185-E187 PolarHBondContact O-N 3.03Å; E187-T189 WeakPolarHBondContact CG-OG1 3.35Å; E187-T189 PolarHBondContact O-N 3.07Å; E187-T189 VanDerWaalsContact O-N 3.14Å; E187-T189 PolarHBondContact OE1-OG1 3.17Å; E187-F190 HydrophobicContact CB-CB 4.37Å; E187-F190 PolarHBondContact O-N 2.89Å; E187-Q191 PolarHBondContact O-N 3.47Å
188	P	89	Confident	93.6	Very high	100 Å²	100	54.5 Å²	54.5	65%	0.649	31%	0.306	S	S	*	.	H	α-helix	trans	-56.6	-32.7	-178.6	-27.9	34.9	0	0	0	114.3	F190	P188-F190 VanDerWaalsContact C-N 3.33Å
189	T	89	Confident	93.8	Very high	92 Å²	92	50.4 Å²	50.4	56%	0.564	28%	0.279	S	S	*	.	H	α-helix	trans	-69.5	-32.1	178.1	58.9	0	0	0	0	112.1	E187	E187-T189 WeakPolarHBondContact CG-OG1 3.35Å; E187-T189 PolarHBondContact O-N 3.07Å; E187-T189 VanDerWaalsContact O-N 3.14Å; E187-T189 PolarHBondContact OE1-OG1 3.17Å
190	F	93.7	Very high	93.9	Very high	20 Å²	20	48 Å²	48	9%	0.088	26%	0.262	C	S	.	.	H	α-helix	trans	-87.8	-20.7	179.7	-174.2	-118.6	0	0	0	112.8	L186 E187 P188 T192 F193 Y194 H248 A251 V252 Y255	L186-F190 HydrophobicContact CD2-CD1 3.52Å; L186-F190 HydrophobicContact CD2-CE1 4.02Å; E187-F190 HydrophobicContact CB-CB 4.37Å; E187-F190 PolarHBondContact O-N 2.89Å; P188-F190 VanDerWaalsContact C-N 3.33Å; F190-T192 VanDerWaalsContact C-N 3.26Å; F190-T192 PolarHBondContact O-N 3.46Å; F190-F193 HydrophobicContact CD2-CB 3.95Å; F190-F193 HydrophobicContact CD2-CD2 4.39Å; F190-F193 HydrophobicContact CE2-CB 3.89Å; F190-F193 PolarHBondContact O-N 3.22Å; F190-Y194 PolarHBondContact O-N 2.89Å; F190-H248 AromaticContact CD1-CE1 3.88Å; F190-H248 AromaticContact CE1-CE1 3.84Å; F190-H248 AromaticContact CE1-ND1 3.83Å; F190-A251 HydrophobicContact CE1-CB 4.15Å; F190-A251 HydrophobicContact CZ-CB 3.9Å; F190-V252 HydrophobicContact CE1-CG2 3.83Å; F190-V252 HydrophobicContact CZ-CG2 3.91Å; F190-Y255 AromaticContact CD2-CD1 3.9Å; F190-Y255 HydrophobicContact CD2-CD1 3.9Å; F190-Y255 HydrophobicContact CD2-CE1 4.18Å; F190-Y255 AromaticContact CE2-CD1 3.46Å; F190-Y255 HydrophobicContact CE2-CD1 3.46Å; F190-Y255 VanDerWaalsContact CE2-CD1 3.46Å; F190-Y255 HydrophobicContact CE2-CE1 4.18Å; F190-Y255 AromaticContact CE2-CG 3.83Å; F190-Y255 HydrophobicContact CE2-CG 3.83Å
191	Q	94.6	Very high	94.1	Very high	53 Å²	53	49.5 Å²	49.5	25%	0.248	27%	0.269	C	S	.	.	H	α-helix	trans	-53.9	-40.6	-177.1	-172	174.9	3	0	0	113	L174 I177 E187 F193 Y194 V195	L174-Q191 HydrophobicContact CD2-CG 4.01Å; I177-Q191 HydrophobicContact CD1-CG 4.47Å; E187-Q191 PolarHBondContact O-N 3.47Å; Q191-F193 PolarHBondContact O-N 3.22Å; Q191-Y194 PolarHBondContact O-N 2.96Å; Q191-V195 HydrophobicContact CG-CG2 4.44Å; Q191-V195 WeakPolarHBondContact O-CB 3.5Å; Q191-V195 VanDerWaalsContact O-CG2 3.32Å; Q191-V195 WeakPolarHBondContact O-CG2 3.33Å; Q191-V195 PolarHBondContact O-N 3.14Å
192	T	93.2	Very high	94.3	Very high	105 Å²	105	46.4 Å²	46.4	64%	0.644	25%	0.248	S	C	*	.	H	α-helix	trans	-61.4	-44.1	177.2	-52.5	0	0	0	0	112	F190 V195 C196	F190-T192 VanDerWaalsContact C-N 3.26Å; F190-T192 PolarHBondContact O-N 3.46Å; T192-V195 PolarHBondContact O-N 3.37Å; T192-C196 WeakPolarHBondContact O-CB 3.18Å; T192-C196 PolarHBondContact O-N 3Å
193	F	94.7	Very high	94.5	Very high	68 Å²	68	43.8 Å²	43.8	30%	0.298	24%	0.236	S	C	.	.	H	α-helix	trans	-69	-38.9	178	-64.2	-75.7	0	0	0	111.8	F190 Q191 C196 T197 Y255 Y303	F190-F193 HydrophobicContact CD2-CB 3.95Å; F190-F193 HydrophobicContact CD2-CD2 4.39Å; F190-F193 HydrophobicContact CE2-CB 3.89Å; F190-F193 PolarHBondContact O-N 3.22Å; Q191-F193 PolarHBondContact O-N 3.22Å; F193-C196 PolarHBondContact O-N 3.4Å; F193-T197 WeakPolarHBondContact O-CB 3.34Å; F193-T197 PolarHBondContact O-N 2.63Å; F193-T197 PolarHBondContact O-OG1 3.43Å; F193-Y255 HydrophobicContact CB-CD2 4.27Å; F193-Y255 HydrophobicContact CB-CE2 4.36Å; F193-Y255 HydrophobicContact CB-CG 4.48Å; F193-Y255 AromaticContact CD1-CD2 3.83Å; F193-Y255 HydrophobicContact CD1-CD2 3.83Å; F193-Y255 AromaticContact CD1-CE2 3.29Å; F193-Y255 HydrophobicContact CD1-CE2 3.29Å; F193-Y255 AromaticContact CD1-CZ 3.79Å; F193-Y255 HydrophobicContact CD2-CE1 4.26Å; F193-Y255 HydrophobicContact CD2-CE2 4.19Å; F193-Y255 AromaticContact CD2-CZ 3.84Å; F193-Y255 HydrophobicContact CE1-CD2 4.4Å; F193-Y255 AromaticContact CE1-CE2 3.45Å; F193-Y255 HydrophobicContact CE1-CE2 3.45Å; F193-Y255 VanDerWaalsContact CE1-CE2 3.45Å; F193-Y255 AromaticContact CE1-CZ 3.79Å; F193-Y255 HydrophobicContact CE2-CE2 4.33Å; F193-Y255 AromaticContact CE2-CZ 3.84Å; F193-Y255 WeakPolarHBondContact CE2-OH 3.41Å; F193-Y255 HydrophobicContact CG-CD2 4.09Å; F193-Y255 HydrophobicContact CG-CE1 4.34Å; F193-Y255 AromaticContact CG-CE2 3.69Å; F193-Y255 HydrophobicContact CG-CE2 3.69Å; F193-Y255 AromaticContact CG-CZ 3.81Å; F193-Y255 AromaticContact CZ-CE2 3.98Å; F193-Y255 HydrophobicContact CZ-CE2 3.98Å; F193-Y255 AromaticContact CZ-CZ 3.81Å; F193-Y255 WeakPolarHBondContact CZ-OH 3.29Å; F193-Y303 HydrophobicContact CD1-CD1 4.07Å; F193-Y303 HydrophobicContact CD1-CE1 4.16Å
194	Y	97.3	Very high	94.7	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.008	24%	0.238	C	C	.	.	H	α-helix	trans	-59.5	-51.3	174.3	175.8	-89.1	0	0	0	111.1	I177 L183 L186 F190 Q191 C196 T197 A198 M228 F246 A251	I177-Y194 HydrophobicContact CD1-CD1 3.65Å; I177-Y194 HydrophobicContact CD1-CE1 3.74Å; I177-Y194 HydrophobicContact CG1-CD1 4.3Å; I177-Y194 HydrophobicContact CG1-CE1 3.92Å; L183-Y194 HydrophobicContact CD1-CE1 4Å; L183-Y194 HydrophobicContact CD1-CE2 4.19Å; L183-Y194 VanDerWaalsContact CD1-CZ 3.49Å; L183-Y194 WeakPolarHBondContact CD1-OH 3.45Å; L183-Y194 HydrophobicContact CD2-CE2 3.81Å; L186-Y194 HydrophobicContact CD1-CD1 3.88Å; L186-Y194 HydrophobicContact CD1-CD2 4.22Å; L186-Y194 HydrophobicContact CD1-CE1 4.3Å; L186-Y194 HydrophobicContact CD1-CG 3.88Å; L186-Y194 HydrophobicContact CD2-CD2 4.38Å; L186-Y194 HydrophobicContact CD2-CG 4.28Å; F190-Y194 PolarHBondContact O-N 2.89Å; Q191-Y194 PolarHBondContact O-N 2.96Å; Y194-C196 VanDerWaalsContact C-N 3.35Å; Y194-C196 PolarHBondContact O-N 3.2Å; Y194-T197 WeakPolarHBondContact O-CB 3.47Å; Y194-T197 PolarHBondContact O-N 3.24Å; Y194-T197 VanDerWaalsContact O-N 3.15Å; Y194-A198 HydrophobicContact CE1-CB 4.34Å; Y194-A198 PolarHBondContact O-N 3.46Å; Y194-M228 HydrophobicContact CE1-CE 4.48Å; Y194-F246 VanDerWaalsContact CE2-O 3.31Å; Y194-F246 WeakPolarHBondContact CE2-O 3.5Å; Y194-F246 PolarHBondContact OH-O 2.74Å; Y194-A251 HydrophobicContact CD2-CB 3.61Å; Y194-A251 HydrophobicContact CE2-CB 4.15Å
195	V	97.4	Very high	95	Very high	7 Å²	7	41.7 Å²	41.7	4%	0.042	22%	0.218	C	C	.	.	H	α-helix	trans	-60.6	-45.4	179.9	170.5	0	0	0	0	110.7	E170 M173 L174 I177 Q191 T192 T197 A198 V199	E170-V195 HydrophobicContact CB-CG1 3.91Å; E170-V195 HydrophobicContact CG-CG1 3.79Å; M173-V195 HydrophobicContact CB-CG1 4.3Å; M173-V195 HydrophobicContact CB-CG2 4.45Å; L174-V195 HydrophobicContact CD2-CG2 3.74Å; L174-V195 HydrophobicContact CG-CG2 4.15Å; I177-V195 HydrophobicContact CD1-CG2 3.65Å; Q191-V195 HydrophobicContact CG-CG2 4.44Å; Q191-V195 WeakPolarHBondContact O-CB 3.5Å; Q191-V195 VanDerWaalsContact O-CG2 3.32Å; Q191-V195 WeakPolarHBondContact O-CG2 3.33Å; Q191-V195 PolarHBondContact O-N 3.14Å; T192-V195 PolarHBondContact O-N 3.37Å; V195-T197 VanDerWaalsContact C-N 3.33Å; V195-T197 PolarHBondContact O-N 2.87Å; V195-A198 PolarHBondContact O-N 3.46Å; V195-V199 HydrophobicContact CG1-CG2 4.07Å; V195-V199 WeakPolarHBondContact O-CB 3.35Å; V195-V199 VanDerWaalsContact O-CG2 3.28Å; V195-V199 WeakPolarHBondContact O-CG2 3.38Å; V195-V199 PolarHBondContact O-N 2.9Å
196	C	96.7	Very high	95.5	Very high	25 Å²	25	34.3 Å²	34.3	17%	0.169	19%	0.185	C	C	.	.	H	α-helix	trans	-56.2	-47.3	174.8	-174.5	0	0	0	0	111.5	T192 F193 Y194 A198 V199 R200	T192-C196 WeakPolarHBondContact O-CB 3.18Å; T192-C196 PolarHBondContact O-N 3Å; F193-C196 PolarHBondContact O-N 3.4Å; Y194-C196 VanDerWaalsContact C-N 3.35Å; Y194-C196 PolarHBondContact O-N 3.2Å; C196-A198 PolarHBondContact O-N 3.46Å; C196-V199 PolarHBondContact O-N 2.72Å; C196-R200 WeakPolarHBondContact O-CB 3.19Å; C196-R200 PolarHBondContact O-N 3.29Å
197	T	97.5	Very high	95.7	Very high	2 Å²	2	34 Å²	34	1%	0.012	18%	0.183	C	C	.	.	H	α-helix	trans	-62	-41.7	179.5	-53.6	0	0	0	0	112.5	F193 Y194 V195 W245 A251 Y303 L307	F193-T197 WeakPolarHBondContact O-CB 3.34Å; F193-T197 PolarHBondContact O-N 2.63Å; F193-T197 PolarHBondContact O-OG1 3.43Å; Y194-T197 WeakPolarHBondContact O-CB 3.47Å; Y194-T197 PolarHBondContact O-N 3.24Å; Y194-T197 VanDerWaalsContact O-N 3.15Å; V195-T197 VanDerWaalsContact C-N 3.33Å; V195-T197 PolarHBondContact O-N 2.87Å; T197-W245 HydrophobicContact CG2-CZ2 3.86Å; T197-W245 PolarHBondContact O-NE1 2.91Å; T197-A251 HydrophobicContact CG2-CB 4.44Å; T197-Y303 PolarHBondContact OG1-OH 3.36Å; T197-L307 HydrophobicContact CG2-CD2 3.99Å
198	A	97.8	Very high	95.6	Very high	2 Å²	2	32.6 Å²	32.6	2%	0.017	18%	0.184	C	C	.	.	H	α-helix	trans	-69.2	-50.6	178.3	0	0	0	0	0	111.7	Y194 V195 C196 R200 K201 F202 F246	Y194-A198 HydrophobicContact CE1-CB 4.34Å; Y194-A198 PolarHBondContact O-N 3.46Å; V195-A198 PolarHBondContact O-N 3.46Å; C196-A198 PolarHBondContact O-N 3.46Å; A198-R200 VanDerWaalsContact C-N 3.32Å; A198-R200 PolarHBondContact O-N 2.98Å; A198-K201 PolarHBondContact O-N 3.49Å; A198-F202 WeakPolarHBondContact O-CD2 3.36Å; A198-F246 HydrophobicContact CB-CD1 4.02Å; A198-F246 HydrophobicContact CB-CE1 4.35Å
199	V	97.8	Very high	95.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63	-38.8	-178.2	168.8	0	0	0	0	111.4	E166 L169 E170 M173 V195 C196 K201 F202 F203	E166-V199 HydrophobicContact CG-CG1 3.54Å; L169-V199 HydrophobicContact CB-CG2 4.48Å; L169-V199 HydrophobicContact CD2-CG1 4.26Å; L169-V199 HydrophobicContact CD2-CG2 4.39Å; L169-V199 HydrophobicContact CG-CG2 4.19Å; E170-V199 HydrophobicContact CG-CB 4.43Å; E170-V199 HydrophobicContact CG-CG1 4.28Å; E170-V199 HydrophobicContact CG-CG2 3.85Å; M173-V199 HydrophobicContact CG-CG2 3.84Å; V195-V199 HydrophobicContact CG1-CG2 4.07Å; V195-V199 WeakPolarHBondContact O-CB 3.35Å; V195-V199 VanDerWaalsContact O-CG2 3.28Å; V195-V199 WeakPolarHBondContact O-CG2 3.38Å; V195-V199 PolarHBondContact O-N 2.9Å; C196-V199 PolarHBondContact O-N 2.72Å; V199-K201 PolarHBondContact O-N 3.33Å; V199-F202 PolarHBondContact O-N 3.23Å; V199-F203 HydrophobicContact CG1-CD2 3.84Å; V199-F203 HydrophobicContact CG1-CE2 4.06Å; V199-F203 PolarHBondContact O-N 3.06Å
200	R	96.9	Very high	95.6	Very high	17 Å²	17	36.5 Å²	36.5	6%	0.064	19%	0.187	C	C	.	.	H	α-helix	trans	-59	-36	179.8	-163.5	63.1	-111.6	140.7	-3.1	112.4	E166 C196 A198 F202 F203 F204 L307 D308 L311	E166-R200 IonicContact OE1-NH1 3.08Å; E166-R200 PolarHBondContact OE1-NH1 2.87Å; C196-R200 WeakPolarHBondContact O-CB 3.19Å; C196-R200 PolarHBondContact O-N 3.29Å; A198-R200 VanDerWaalsContact C-N 3.32Å; A198-R200 PolarHBondContact O-N 2.98Å; R200-F202 PolarHBondContact O-N 3.34Å; R200-F203 VanDerWaalsContact NH2-CB 3.27Å; R200-F203 PolarHBondContact O-N 3.13Å; R200-F204 WeakPolarHBondContact O-CB 3.29Å; R200-F204 PolarHBondContact O-N 3.35Å; R200-L307 HydrophobicContact CB-CB 4.36Å; R200-L307 HydrophobicContact CB-CD1 4.02Å; R200-L307 HydrophobicContact CG-CB 3.76Å; R200-L307 HydrophobicContact CG-CD1 4.2Å; R200-D308 WeakPolarHBondContact CD-OD1 3.43Å; R200-D308 IonicContact CZ-OD1 3.55Å; R200-D308 IonicContact NE-OD1 2.69Å; R200-D308 PolarHBondContact NE-OD1 2.93Å; R200-D308 IonicContact NH2-OD1 2.82Å; R200-L311 HydrophobicContact CB-CD1 4.4Å; R200-L311 HydrophobicContact CG-CD1 4.01Å
201	K	97.8	Very high	95.6	Very high	31 Å²	31	38.7 Å²	38.7	14%	0.135	21%	0.205	C	C	.	.	H	α-helix	trans	-60.1	-43.2	175	-177.1	159.8	-177.6	163.6	0	112.3	A198 V199 F205 F224 W245 F246 L311	A198-K201 PolarHBondContact O-N 3.49Å; V199-K201 PolarHBondContact O-N 3.33Å; K201-F205 HydrophobicContact CG-CD2 4.05Å; K201-F205 HydrophobicContact CG-CE2 4.2Å; K201-F205 WeakPolarHBondContact O-CD2 3.37Å; K201-F205 PolarHBondContact O-N 3.45Å; K201-F224 HydrophobicContact CG-CD2 4.34Å; K201-F224 HydrophobicContact CG-CE2 4.13Å; K201-F224 HydrophobicContact CG-CZ 4.36Å; K201-W245 HydrophobicContact CD-CB 3.88Å; K201-W245 HydrophobicContact CD-CD2 4.11Å; K201-W245 HydrophobicContact CD-CG 3.42Å; K201-W245 VanDerWaalsContact CD-CG 3.42Å; K201-F246 HydrophobicContact CB-CE1 4.41Å; K201-F246 HydrophobicContact CB-CZ 4.43Å; K201-F246 HydrophobicContact CD-CE1 4.38Å; K201-F246 HydrophobicContact CD-CE2 4.29Å; K201-F246 HydrophobicContact CD-CZ 3.81Å; K201-F246 HydrophobicContact CG-CZ 4.22Å; K201-L311 HydrophobicContact CB-CD2 4.32Å; K201-L311 HydrophobicContact CG-CD2 4.36Å
202	F	98	Very high	95.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63	-50.4	177.2	-70.8	-90.8	0	0	0	111.3	L169 M173 A198 V199 R200 F204 F205 L206 I219 F224 F246	L169-F202 HydrophobicContact CD2-CB 3.63Å; L169-F202 HydrophobicContact CD2-CD1 4.39Å; L169-F202 HydrophobicContact CD2-CD2 3.87Å; L169-F202 HydrophobicContact CD2-CG 3.71Å; M173-F202 HydrophobicContact CE-CD2 3.91Å; M173-F202 HydrophobicContact CE-CE2 3.29Å; M173-F202 HydrophobicContact CE-CZ 3.78Å; A198-F202 WeakPolarHBondContact O-CD2 3.36Å; V199-F202 PolarHBondContact O-N 3.23Å; R200-F202 PolarHBondContact O-N 3.34Å; F202-F204 VanDerWaalsContact C-N 3.35Å; F202-F204 PolarHBondContact O-N 2.97Å; F202-F205 PolarHBondContact O-N 2.83Å; F202-L206 HydrophobicContact CD1-CD1 3.99Å; F202-L206 WeakPolarHBondContact O-CA 3.22Å; F202-L206 WeakPolarHBondContact O-CB 3.24Å; F202-L206 WeakPolarHBondContact O-CG 3.4Å; F202-L206 PolarHBondContact O-N 3.36Å; F202-I219 HydrophobicContact CD1-CG1 4.22Å; F202-I219 HydrophobicContact CD1-CG2 4.12Å; F202-I219 HydrophobicContact CE1-CG2 3.8Å; F202-F224 HydrophobicContact CD1-CB 4.16Å; F202-F224 AromaticContact CD1-CD2 3.83Å; F202-F224 HydrophobicContact CD1-CD2 3.83Å; F202-F224 HydrophobicContact CE1-CB 3.42Å; F202-F224 VanDerWaalsContact CE1-CB 3.42Å; F202-F224 AromaticContact CE1-CD2 3.98Å; F202-F224 HydrophobicContact CE1-CD2 3.98Å; F202-F224 HydrophobicContact CE1-CG 4.24Å; F202-F224 HydrophobicContact CE2-CB 4.4Å; F202-F224 HydrophobicContact CG-CD2 4.28Å; F202-F224 HydrophobicContact CZ-CB 3.57Å; F202-F246 HydrophobicContact CD2-CE1 4.26Å; F202-F246 AromaticContact CE2-CE1 3.52Å; F202-F246 HydrophobicContact CE2-CE1 3.52Å; F202-F246 AromaticContact CE2-CZ 3.77Å; F202-F246 HydrophobicContact CE2-CZ 3.77Å; F202-F246 HydrophobicContact CZ-CE1 4.18Å; F202-F246 HydrophobicContact CZ-CZ 4.04Å
203	F	97.7	Very high	95.7	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.018	20%	0.202	C	C	.	.	H	α-helix	trans	-70.2	-30.3	-177.4	-83.5	-96.8	0	0	0	113.3	R165 E166 L169 V199 R200 D207 V214	R165-F203 VanDerWaalsContact C-CZ 3.41Å; E166-F203 VanDerWaalsContact CA-CZ 3.45Å; E166-F203 HydrophobicContact CB-CE1 4.35Å; E166-F203 HydrophobicContact CB-CE2 4.07Å; E166-F203 HydrophobicContact CB-CZ 3.95Å; E166-F203 HydrophobicContact CG-CD2 4.33Å; E166-F203 HydrophobicContact CG-CE2 4.17Å; L169-F203 HydrophobicContact CB-CE2 4.33Å; L169-F203 HydrophobicContact CD2-CD2 4.37Å; L169-F203 HydrophobicContact CD2-CE2 4Å; V199-F203 HydrophobicContact CG1-CD2 3.84Å; V199-F203 HydrophobicContact CG1-CE2 4.06Å; V199-F203 PolarHBondContact O-N 3.06Å; R200-F203 VanDerWaalsContact NH2-CB 3.27Å; R200-F203 PolarHBondContact O-N 3.13Å; F203-D207 HydrophobicContact CD1-CB 4.23Å; F203-D207 WeakPolarHBondContact O-CB 3.2Å; F203-D207 PolarHBondContact O-N 3.19Å; F203-V214 HydrophobicContact CD1-CG2 3.81Å; F203-V214 HydrophobicContact CD2-CG2 4.11Å; F203-V214 HydrophobicContact CE1-CG2 3.76Å; F203-V214 HydrophobicContact CE2-CG2 4.05Å; F203-V214 HydrophobicContact CG-CG2 3.96Å; F203-V214 HydrophobicContact CZ-CG2 3.84Å
204	F	97.7	Very high	95.8	Very high	12 Å²	12	35.1 Å²	35.1	5%	0.053	19%	0.188	C	C	.	.	H	α-helix	trans	-64.5	-46.4	177	-175	-89.5	0	0	0	111.6	R200 F202 D308 L311 A312 A321 Y324	R200-F204 WeakPolarHBondContact O-CB 3.29Å; R200-F204 PolarHBondContact O-N 3.35Å; F202-F204 VanDerWaalsContact C-N 3.35Å; F202-F204 PolarHBondContact O-N 2.97Å; F204-D308 HydrophobicContact CD2-CB 4.16Å; F204-D308 WeakPolarHBondContact CD2-OD1 3.41Å; F204-D308 HydrophobicContact CE2-CB 4.24Å; F204-D308 VanDerWaalsContact CE2-O 3.24Å; F204-D308 WeakPolarHBondContact CE2-O 3.49Å; F204-L311 HydrophobicContact CB-CD1 3.71Å; F204-L311 HydrophobicContact CD1-CB 3.97Å; F204-L311 HydrophobicContact CD2-CB 4.16Å; F204-L311 HydrophobicContact CD2-CD1 4.33Å; F204-L311 HydrophobicContact CE1-CB 4.15Å; F204-L311 HydrophobicContact CE2-CB 4.32Å; F204-L311 HydrophobicContact CG-CB 3.99Å; F204-L311 HydrophobicContact CG-CD1 3.94Å; F204-L311 HydrophobicContact CZ-CB 4.33Å; F204-A312 HydrophobicContact CE2-CB 4.24Å; F204-A312 HydrophobicContact CZ-CB 3.71Å; F204-A321 HydrophobicContact CE1-CB 4.34Å; F204-Y324 HydrophobicContact CE2-CD2 4.02Å; F204-Y324 HydrophobicContact CE2-CG 4.07Å; F204-Y324 HydrophobicContact CZ-CG 4.24Å
205	F	97.9	Very high	95.7	Very high	12 Å²	12	40.8 Å²	40.8	5%	0.053	21%	0.209	C	C	.	.	H	α-helix	trans	-91.6	-26.1	-175.6	-68.9	-75	0	0	0	114.5	K201 F202 F224 L311 N315 E318 Q320	K201-F205 HydrophobicContact CG-CD2 4.05Å; K201-F205 HydrophobicContact CG-CE2 4.2Å; K201-F205 WeakPolarHBondContact O-CD2 3.37Å; K201-F205 PolarHBondContact O-N 3.45Å; F202-F205 PolarHBondContact O-N 2.83Å; F205-F224 HydrophobicContact CB-CE2 3.9Å; F205-F224 HydrophobicContact CB-CZ 3.88Å; F205-F224 HydrophobicContact CD2-CE2 4.11Å; F205-F224 AromaticContact CD2-CZ 3.79Å; F205-F224 HydrophobicContact CD2-CZ 3.79Å; F205-F224 HydrophobicContact CG-CE2 4.35Å; F205-F224 AromaticContact CG-CZ 3.99Å; F205-F224 HydrophobicContact CG-CZ 3.99Å; F205-L311 HydrophobicContact CE2-CD2 4.2Å; F205-N315 HydrophobicContact CE1-CB 4.17Å; F205-N315 HydrophobicContact CZ-CB 3.74Å; F205-E318 HydrophobicContact CD1-CB 4.41Å; F205-E318 HydrophobicContact CE1-CB 3.82Å; F205-E318 HydrophobicContact CE1-CG 3.94Å; F205-Q320 HydrophobicContact CD1-CB 3.99Å; F205-Q320 HydrophobicContact CD1-CG 4.32Å; F205-Q320 WeakPolarHBondContact O-CG 3.44Å; F205-Q320 PolarHBondContact O-NE2 3.49Å
206	L	97.7	Very high	95.7	Very high	30 Å²	30	40.5 Å²	40.5	16%	0.157	21%	0.207	C	C	.	.	H	α-helix	trans	-108.2	-4.5	-172.6	-48.7	179.5	0	0	0	114	F202 V214 D218 I219 F224	F202-L206 HydrophobicContact CD1-CD1 3.99Å; F202-L206 WeakPolarHBondContact O-CA 3.22Å; F202-L206 WeakPolarHBondContact O-CB 3.24Å; F202-L206 WeakPolarHBondContact O-CG 3.4Å; F202-L206 PolarHBondContact O-N 3.36Å; L206-V214 HydrophobicContact CB-CG1 3.41Å; L206-V214 VanDerWaalsContact CB-CG1 3.41Å; L206-V214 HydrophobicContact CB-CG2 4.27Å; L206-V214 HydrophobicContact CD1-CG1 3.85Å; L206-V214 HydrophobicContact CG-CG1 4.29Å; L206-D218 HydrophobicContact CD1-CB 4.47Å; L206-D218 HydrophobicContact CD2-CB 4.46Å; L206-I219 HydrophobicContact CD1-CG1 4.07Å; L206-F224 HydrophobicContact CD1-CD2 4.37Å; L206-F224 HydrophobicContact CD1-CE2 4.46Å; L206-F224 HydrophobicContact CD2-CE2 4.44Å; L206-F224 HydrophobicContact CG-CE2 4.26Å
207	D	96.2	Very high	95.6	Very high	12 Å²	12	43.1 Å²	43.1	6%	0.064	22%	0.222	C	C	.	.			trans	-124.7	63.2	170.2	-176.1	28.5	0	0	0	111.1	F203 L209 R210 S211 G212 V214	F203-D207 HydrophobicContact CD1-CB 4.23Å; F203-D207 WeakPolarHBondContact O-CB 3.2Å; F203-D207 PolarHBondContact O-N 3.19Å; D207-L209 PolarHBondContact O-N 3.44Å; D207-L209 VanDerWaalsContact O-N 3.13Å; D207-R210 PolarHBondContact O-N 3.06Å; D207-R210 PolarHBondContact OD1-N 3.31Å; D207-R210 VanDerWaalsContact OD2-C 3.3Å; D207-R210 WeakPolarHBondContact OD2-CA 3.45Å; D207-S211 WeakPolarHBondContact OD1-CB 2.99Å; D207-S211 PolarHBondContact OD1-N 3.23Å; D207-S211 PolarHBondContact OD1-OG 2.93Å; D207-S211 PolarHBondContact OD2-N 3.4Å; D207-G212 PolarHBondContact OD2-N 3.39Å; D207-V214 HydrophobicContact CB-CG2 4.04Å
208	P	88.3	Confident	95.6	Very high	90 Å²	90	44.7 Å²	44.7	58%	0.584	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-24.5	-175.2	25.7	-35.4	0	0	0	113.2	R210 Q320	P208-R210 VanDerWaalsContact C-N 3.31Å; P208-Q320 HydrophobicContact CB-CG 4.41Å
209	L	88.2	Confident	95.6	Very high	158 Å²	158	44.7 Å²	44.7	83%	0.827	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	2.7	177.6	-61.2	178.7	0	0	0	113.2	D207 S211	D207-L209 PolarHBondContact O-N 3.44Å; D207-L209 VanDerWaalsContact O-N 3.13Å; L209-S211 PolarHBondContact O-N 2.94Å
210	R	90.9	Very high	95.4	Very high	117 Å²	117	46 Å²	46	44%	0.442	24%	0.237	S	C	.	.			trans	50.7	41.4	-177.4	-59.9	-175.8	174.7	-104.8	-9.2	112.5	D207 P208 G212 D308 Y324	D207-R210 PolarHBondContact O-N 3.06Å; D207-R210 PolarHBondContact OD1-N 3.31Å; D207-R210 VanDerWaalsContact OD2-C 3.3Å; D207-R210 WeakPolarHBondContact OD2-CA 3.45Å; P208-R210 VanDerWaalsContact C-N 3.31Å; R210-G212 PolarHBondContact O-N 2.83Å; R210-D308 IonicContact CZ-OD2 3.51Å; R210-D308 IonicContact NH1-OD2 3.4Å; R210-D308 PolarHBondContact NH1-OD2 2.99Å; R210-D308 IonicContact NH2-OD2 2.68Å; R210-D308 PolarHBondContact NH2-OD2 2.78Å; R210-Y324 VanDerWaalsContact NH2-CD2 3.34Å; R210-Y324 VanDerWaalsContact NH2-CE2 3.35Å
211	S	93	Very high	95.3	Very high	66 Å²	66	49.1 Å²	49.1	46%	0.462	27%	0.267	S	S	.	.			trans	-73.1	-8.7	179.1	69.1	0	0	0	0	113.7	D207 L209 R213	D207-S211 WeakPolarHBondContact OD1-CB 2.99Å; D207-S211 PolarHBondContact OD1-N 3.23Å; D207-S211 PolarHBondContact OD1-OG 2.93Å; D207-S211 PolarHBondContact OD2-N 3.4Å; L209-S211 PolarHBondContact O-N 2.94Å; S211-R213 VanDerWaalsContact C-N 3.28Å; S211-R213 WeakPolarHBondContact OG-CG 3.33Å; S211-R213 PolarHBondContact OG-O 2.99Å
212	G	94.4	Very high	95.2	Very high	41 Å²	41	49.3 Å²	49.3	42%	0.423	27%	0.272	S	S	.	.	S	Bend	trans	77.4	15.3	-179	0	0	0	0	0	113.1	D207 R210	D207-G212 PolarHBondContact OD2-N 3.39Å; R210-G212 PolarHBondContact O-N 2.83Å
213	R	95.4	Very high	95.1	Very high	110 Å²	110	50.4 Å²	50.4	42%	0.415	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	143.1	-179.1	61.5	-179.8	179.4	-179.8	-0.2	112.2	Y163 L164 S211	Y163-R213 HydrophobicContact CD1-CB 4.27Å; Y163-R213 HydrophobicContact CD1-CG 3.95Å; Y163-R213 HydrophobicContact CG-CG 4.47Å; L164-R213 CarbonylContact O-C 3.47Å; L164-R213 WeakPolarHBondContact O-CA 3.36Å; S211-R213 VanDerWaalsContact C-N 3.28Å; S211-R213 WeakPolarHBondContact OG-CG 3.33Å; S211-R213 PolarHBondContact OG-O 2.99Å
214	V	96.9	Very high	95	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	135.7	178.5	-177.1	0	0	0	0	109.7	Y163 L164 F203 L206 D207 I219	Y163-V214 CarbonylContact C-O 3.44Å; Y163-V214 VanDerWaalsContact CA-O 3.24Å; Y163-V214 WeakPolarHBondContact CA-O 3.34Å; L164-V214 PolarHBondContact N-O 3.41Å; L164-V214 PolarHBondContact O-N 2.93Å; F203-V214 HydrophobicContact CD1-CG2 3.81Å; F203-V214 HydrophobicContact CD2-CG2 4.11Å; F203-V214 HydrophobicContact CE1-CG2 3.76Å; F203-V214 HydrophobicContact CE2-CG2 4.05Å; F203-V214 HydrophobicContact CG-CG2 3.96Å; F203-V214 HydrophobicContact CZ-CG2 3.84Å; L206-V214 HydrophobicContact CB-CG1 3.41Å; L206-V214 VanDerWaalsContact CB-CG1 3.41Å; L206-V214 HydrophobicContact CB-CG2 4.27Å; L206-V214 HydrophobicContact CD1-CG1 3.85Å; L206-V214 HydrophobicContact CG-CG1 4.29Å; D207-V214 HydrophobicContact CB-CG2 4.04Å; V214-I219 HydrophobicContact CB-CD1 4.43Å; V214-I219 HydrophobicContact CB-CG1 4.5Å; V214-I219 HydrophobicContact CG1-CD1 4.11Å; V214-I219 HydrophobicContact CG1-CG1 3.67Å
215	R	96.4	Very high	94.8	Very high	121 Å²	121	51.5 Å²	51.5	46%	0.457	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	134.7	175.2	-67.6	-179.1	-65.2	-177.7	4.8	110.3	Y163 T217 D218 I219	Y163-R215 HydrophobicContact CD1-CB 4.41Å; Y163-R215 HydrophobicContact CD1-CG 3.64Å; Y163-R215 HydrophobicContact CE1-CB 4.37Å; Y163-R215 HydrophobicContact CE1-CG 3.18Å; R215-T217 PolarHBondContact O-N 3.48Å; R215-D218 HydrophobicContact CB-CB 4.24Å; R215-D218 IonicContact CZ-OD1 3.91Å; R215-D218 IonicContact CZ-OD2 2.72Å; R215-D218 VanDerWaalsContact NE-CG 3.34Å; R215-D218 IonicContact NE-OD1 3.44Å; R215-D218 PolarHBondContact NE-OD1 2.98Å; R215-D218 IonicContact NE-OD2 3.26Å; R215-D218 PolarHBondContact NE-OD2 2.9Å; R215-D218 VanDerWaalsContact NH2-CG 3.26Å; R215-D218 IonicContact NH2-OD1 2.96Å; R215-D218 PolarHBondContact NH2-OD1 2.69Å; R215-D218 IonicContact NH2-OD2 3.53Å; R215-D218 PolarHBondContact NH2-OD2 3.04Å; R215-D218 WeakPolarHBondContact O-CB 3.25Å; R215-D218 PolarHBondContact O-N 2.62Å; R215-I219 PolarHBondContact O-N 2.88Å
216	I	96.4	Very high	94.6	Very high	1 Å²	1	54 Å²	54	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-59.5	-35.8	176.5	-62.7	167.5	0	0	0	111.1	I153 D157 G162 L164 D218 I219 L220	I153-I216 HydrophobicContact CB-CG2 4.27Å; I153-I216 HydrophobicContact CG2-CD1 4.46Å; I153-I216 HydrophobicContact CG2-CG1 4.11Å; I153-I216 HydrophobicContact CG2-CG2 3.78Å; D157-I216 HydrophobicContact CB-CD1 4.06Å; G162-I216 PolarHBondContact O-N 2.84Å; L164-I216 HydrophobicContact CD2-CD1 4.39Å; L164-I216 HydrophobicContact CD2-CG1 4.39Å; L164-I216 HydrophobicContact CG-CG1 3.97Å; I216-D218 PolarHBondContact O-N 2.95Å; I216-I219 WeakPolarHBondContact O-CB 3.37Å; I216-I219 PolarHBondContact O-N 3.2Å; I216-L220 HydrophobicContact CG2-CD1 4.14Å; I216-L220 HydrophobicContact CG2-CG 4.4Å; I216-L220 WeakPolarHBondContact O-CG 3.32Å; I216-L220 PolarHBondContact O-N 3.07Å; I216-L220 VanDerWaalsContact O-N 3.08Å
217	T	95.7	Very high	94.5	Very high	79 Å²	79	54.3 Å²	54.3	49%	0.485	31%	0.307	S	S	.	.	H	α-helix	trans	-61.5	-33.1	176.2	52.5	0	0	0	0	113	R215 A221	R215-T217 PolarHBondContact O-N 3.48Å; T217-A221 VanDerWaalsContact O-CB 3.3Å; T217-A221 WeakPolarHBondContact O-CB 3.39Å; T217-A221 PolarHBondContact O-N 3.25Å; T217-A221 VanDerWaalsContact O-N 3.1Å
218	D	96.7	Very high	94.4	Very high	36 Å²	36	53.8 Å²	53.8	19%	0.193	30%	0.304	C	S	.	.	H	α-helix	trans	-77	-37.3	-179.9	-62	-6	0	0	0	110.5	L206 R215 I216 L220 A221 S222	L206-D218 HydrophobicContact CD1-CB 4.47Å; L206-D218 HydrophobicContact CD2-CB 4.46Å; R215-D218 HydrophobicContact CB-CB 4.24Å; R215-D218 IonicContact CZ-OD1 3.91Å; R215-D218 IonicContact CZ-OD2 2.72Å; R215-D218 VanDerWaalsContact NE-CG 3.34Å; R215-D218 IonicContact NE-OD1 3.44Å; R215-D218 PolarHBondContact NE-OD1 2.98Å; R215-D218 IonicContact NE-OD2 3.26Å; R215-D218 PolarHBondContact NE-OD2 2.9Å; R215-D218 VanDerWaalsContact NH2-CG 3.26Å; R215-D218 IonicContact NH2-OD1 2.96Å; R215-D218 PolarHBondContact NH2-OD1 2.69Å; R215-D218 IonicContact NH2-OD2 3.53Å; R215-D218 PolarHBondContact NH2-OD2 3.04Å; R215-D218 WeakPolarHBondContact O-CB 3.25Å; R215-D218 PolarHBondContact O-N 2.62Å; I216-D218 PolarHBondContact O-N 2.95Å; D218-L220 VanDerWaalsContact C-N 3.28Å; D218-L220 PolarHBondContact O-N 3.36Å; D218-A221 PolarHBondContact O-N 3.45Å; D218-A221 VanDerWaalsContact O-N 3.15Å; D218-S222 WeakPolarHBondContact O-CB 3.28Å; D218-S222 PolarHBondContact O-N 3Å
219	I	96.9	Very high	94.6	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-57.3	-44	171.8	-63.6	176.2	0	0	0	110.5	I153 L164 L169 F202 L206 V214 R215 I216 A221 S222	I153-I219 HydrophobicContact CD1-CG2 4.17Å; L164-I219 HydrophobicContact CD1-CD1 3.96Å; L164-I219 HydrophobicContact CG-CD1 4.45Å; L169-I219 HydrophobicContact CD1-CD1 4.25Å; F202-I219 HydrophobicContact CD1-CG1 4.22Å; F202-I219 HydrophobicContact CD1-CG2 4.12Å; F202-I219 HydrophobicContact CE1-CG2 3.8Å; L206-I219 HydrophobicContact CD1-CG1 4.07Å; V214-I219 HydrophobicContact CB-CD1 4.43Å; V214-I219 HydrophobicContact CB-CG1 4.5Å; V214-I219 HydrophobicContact CG1-CD1 4.11Å; V214-I219 HydrophobicContact CG1-CG1 3.67Å; R215-I219 PolarHBondContact O-N 2.88Å; I216-I219 WeakPolarHBondContact O-CB 3.37Å; I216-I219 PolarHBondContact O-N 3.2Å; I219-A221 VanDerWaalsContact C-N 3.32Å; I219-S222 PolarHBondContact O-OG 3.21Å
220	L	95.1	Very high	94.9	Very high	28 Å²	28	47.8 Å²	47.8	15%	0.147	27%	0.265	C	S	.	.	H	α-helix	trans	-72.4	-24.8	179.3	-65.7	172.2	0	0	0	113.2	L146 T149 H150 I153 I216 D218 L225	L146-L220 HydrophobicContact CD1-CB 4.04Å; L146-L220 HydrophobicContact CD1-CD1 4.47Å; L146-L220 HydrophobicContact CD1-CD2 4.26Å; L146-L220 HydrophobicContact CD1-CG 4.49Å; T149-L220 HydrophobicContact CG2-CD2 3.65Å; H150-L220 HydrophobicContact CB-CD1 3.58Å; I153-L220 HydrophobicContact CD1-CD2 4.25Å; I216-L220 HydrophobicContact CG2-CD1 4.14Å; I216-L220 HydrophobicContact CG2-CG 4.4Å; I216-L220 WeakPolarHBondContact O-CG 3.32Å; I216-L220 PolarHBondContact O-N 3.07Å; I216-L220 VanDerWaalsContact O-N 3.08Å; D218-L220 VanDerWaalsContact C-N 3.28Å; D218-L220 PolarHBondContact O-N 3.36Å; L220-L225 HydrophobicContact CD2-CD2 4.19Å
221	A	95	Very high	95.1	Very high	83 Å²	83	42.2 Å²	42.2	69%	0.686	24%	0.244	S	C	*	.	H	α-helix	trans	-91.8	-20.7	-177.7	0	0	0	0	0	113.4	T217 D218 I219 G223	T217-A221 VanDerWaalsContact O-CB 3.3Å; T217-A221 WeakPolarHBondContact O-CB 3.39Å; T217-A221 PolarHBondContact O-N 3.25Å; T217-A221 VanDerWaalsContact O-N 3.1Å; D218-A221 PolarHBondContact O-N 3.45Å; D218-A221 VanDerWaalsContact O-N 3.15Å; I219-A221 VanDerWaalsContact C-N 3.32Å; A221-G223 VanDerWaalsContact C-N 3.31Å; A221-G223 PolarHBondContact O-N 2.92Å
222	S	95.2	Very high	95.1	Very high	35 Å²	35	44.4 Å²	44.4	25%	0.245	24%	0.242	C	C	.	.	S	Bend	trans	-74.8	-15.6	-173.5	70	0	0	0	0	115	D218 I219 F224	D218-S222 WeakPolarHBondContact O-CB 3.28Å; D218-S222 PolarHBondContact O-N 3Å; I219-S222 PolarHBondContact O-OG 3.21Å; S222-F224 PolarHBondContact O-N 2.98Å; S222-F224 WeakPolarHBondContact OG-CB 3.5Å; S222-F224 WeakPolarHBondContact OG-CD2 3.22Å; S222-F224 VanDerWaalsContact OG-CG 3.3Å; S222-F224 WeakPolarHBondContact OG-CG 3.45Å; S222-F224 PolarHBondContact OG-N 3.38Å
223	G	94.5	Very high	94.9	Very high	23 Å²	23	48 Å²	48	24%	0.237	25%	0.248	C	C	.	.	S	Bend	trans	74.7	-6.2	-172.7	0	0	0	0	0	114.4	A221 L225 D226 S227	A221-G223 VanDerWaalsContact C-N 3.31Å; A221-G223 PolarHBondContact O-N 2.92Å; G223-L225 VanDerWaalsContact C-N 3.29Å; G223-L225 PolarHBondContact O-N 2.91Å; G223-D226 WeakPolarHBondContact O-CB 3.38Å; G223-D226 PolarHBondContact O-N 2.84Å; G223-D226 VanDerWaalsContact O-N 3.13Å; G223-S227 PolarHBondContact O-N 3.42Å; G223-S227 PolarHBondContact O-OG 3.07Å
224	F	96.5	Very high	94.4	Very high	34 Å²	34	47.9 Å²	47.9	15%	0.149	26%	0.259	C	S	.	.	H	α-helix	trans	-62.6	-38.1	179.6	-66.6	-10.5	0	0	0	112.6	K201 F202 F205 L206 S222 D226 S227 M228 F246	K201-F224 HydrophobicContact CG-CD2 4.34Å; K201-F224 HydrophobicContact CG-CE2 4.13Å; K201-F224 HydrophobicContact CG-CZ 4.36Å; F202-F224 HydrophobicContact CD1-CB 4.16Å; F202-F224 AromaticContact CD1-CD2 3.83Å; F202-F224 HydrophobicContact CD1-CD2 3.83Å; F202-F224 HydrophobicContact CE1-CB 3.42Å; F202-F224 VanDerWaalsContact CE1-CB 3.42Å; F202-F224 AromaticContact CE1-CD2 3.98Å; F202-F224 HydrophobicContact CE1-CD2 3.98Å; F202-F224 HydrophobicContact CE1-CG 4.24Å; F202-F224 HydrophobicContact CE2-CB 4.4Å; F202-F224 HydrophobicContact CG-CD2 4.28Å; F202-F224 HydrophobicContact CZ-CB 3.57Å; F205-F224 HydrophobicContact CB-CE2 3.9Å; F205-F224 HydrophobicContact CB-CZ 3.88Å; F205-F224 HydrophobicContact CD2-CE2 4.11Å; F205-F224 AromaticContact CD2-CZ 3.79Å; F205-F224 HydrophobicContact CD2-CZ 3.79Å; F205-F224 HydrophobicContact CG-CE2 4.35Å; F205-F224 AromaticContact CG-CZ 3.99Å; F205-F224 HydrophobicContact CG-CZ 3.99Å; L206-F224 HydrophobicContact CD1-CD2 4.37Å; L206-F224 HydrophobicContact CD1-CE2 4.46Å; L206-F224 HydrophobicContact CD2-CE2 4.44Å; L206-F224 HydrophobicContact CG-CE2 4.26Å; S222-F224 PolarHBondContact O-N 2.98Å; S222-F224 WeakPolarHBondContact OG-CB 3.5Å; S222-F224 WeakPolarHBondContact OG-CD2 3.22Å; S222-F224 VanDerWaalsContact OG-CG 3.3Å; S222-F224 WeakPolarHBondContact OG-CG 3.45Å; S222-F224 PolarHBondContact OG-N 3.38Å; F224-D226 VanDerWaalsContact C-N 3.32Å; F224-S227 PolarHBondContact O-N 2.95Å; F224-M228 PolarHBondContact O-N 3.2Å; F224-F246 HydrophobicContact CB-CE2 3.9Å; F224-F246 HydrophobicContact CB-CZ 3.73Å; F224-F246 HydrophobicContact CG-CE2 4.44Å; F224-F246 HydrophobicContact CG-CZ 4.18Å; F224-F246 WeakPolarHBondContact O-CE2 3.47Å
225	L	94.5	Very high	94	Very high	4 Å²	4	54 Å²	54	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-69.6	-33.3	177.2	-172.1	63.2	0	0	0	112.1	T149 I153 Y172 L176 L220 G223 M228 L229	T149-L225 HydrophobicContact CG2-CD2 3.22Å; T149-L225 HydrophobicContact CG2-CG 4.43Å; I153-L225 HydrophobicContact CD1-CD2 3.47Å; I153-L225 VanDerWaalsContact CD1-CD2 3.47Å; Y172-L225 HydrophobicContact CE1-CD1 3.88Å; L176-L225 HydrophobicContact CD2-CD1 4.37Å; L220-L225 HydrophobicContact CD2-CD2 4.19Å; G223-L225 VanDerWaalsContact C-N 3.29Å; G223-L225 PolarHBondContact O-N 2.91Å; L225-M228 PolarHBondContact O-N 3.08Å; L225-L229 HydrophobicContact CD1-CD1 4.33Å; L225-L229 HydrophobicContact CD1-CG 4.48Å; L225-L229 HydrophobicContact CG-CD1 3.91Å; L225-L229 HydrophobicContact CG-CG 4.46Å; L225-L229 WeakPolarHBondContact O-CB 3.32Å; L225-L229 VanDerWaalsContact O-CG 3.24Å; L225-L229 WeakPolarHBondContact O-CG 3.24Å; L225-L229 PolarHBondContact O-N 3.25Å
226	D	92.9	Very high	93.6	Very high	64 Å²	64	49.5 Å²	49.5	34%	0.342	28%	0.282	S	S	.	.	H	α-helix	trans	-61.4	-51	172.5	-65.1	-44.9	0	0	0	109.6	W145 G223 F224 M228 L229 E230	W145-D226 WeakPolarHBondContact CH2-OD1 3.32Å; G223-D226 WeakPolarHBondContact O-CB 3.38Å; G223-D226 PolarHBondContact O-N 2.84Å; G223-D226 VanDerWaalsContact O-N 3.13Å; F224-D226 VanDerWaalsContact C-N 3.32Å; D226-M228 PolarHBondContact O-N 3.46Å; D226-L229 PolarHBondContact O-N 2.83Å; D226-E230 WeakPolarHBondContact O-CG 3.42Å; D226-E230 PolarHBondContact O-N 3.24Å
227	S	95	Very high	93.4	Very high	38 Å²	38	52 Å²	52	27%	0.266	30%	0.3	S	S	.	.	H	α-helix	trans	-56.6	-37.6	175.7	-55.7	0	0	0	0	112.4	G223 F224 N244	G223-S227 PolarHBondContact O-N 3.42Å; G223-S227 PolarHBondContact O-OG 3.07Å; F224-S227 PolarHBondContact O-N 2.95Å; S227-N244 PolarHBondContact O-ND2 3.25Å
228	M	94.9	Very high	93.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-69.5	-38.3	175.7	-167.2	178.1	-172.2	0	0	112.4	M173 L176 L180 Y194 F224 L225 D226 E230 L231 F246	M173-M228 HydrophobicContact CE-SD 3.93Å; M173-M228 HydrophobicContact SD-CE 3.34Å; M173-M228 WeakPolarHBondContact SD-CE 3.35Å; M173-M228 HydrophobicContact SD-SD 3.23Å; L176-M228 HydrophobicContact CD2-CE 3.99Å; L176-M228 HydrophobicContact CD2-CG 4.3Å; L176-M228 HydrophobicContact CD2-SD 3.64Å; L180-M228 HydrophobicContact CD1-CE 3.75Å; L180-M228 HydrophobicContact CD1-CG 3.88Å; Y194-M228 HydrophobicContact CE1-CE 4.48Å; F224-M228 PolarHBondContact O-N 3.2Å; L225-M228 PolarHBondContact O-N 3.08Å; D226-M228 PolarHBondContact O-N 3.46Å; M228-E230 VanDerWaalsContact C-N 3.35Å; M228-L231 VanDerWaalsContact O-CB 3.25Å; M228-L231 WeakPolarHBondContact O-CB 3.48Å; M228-L231 WeakPolarHBondContact O-CG 3.49Å; M228-L231 PolarHBondContact O-N 3.46Å; M228-F246 HydrophobicContact CB-CB 4.24Å; M228-F246 HydrophobicContact CB-CD2 4.24Å; M228-F246 HydrophobicContact CB-CG 4.06Å; M228-F246 HydrophobicContact CG-CB 4.2Å; M228-F246 HydrophobicContact CG-CG 4.35Å
229	L	93.1	Very high	93	Very high	23 Å²	23	57.5 Å²	57.5	12%	0.12	33%	0.332	C	S	.	.	H	α-helix	trans	-76.3	-20.9	-178.5	-70.8	168.7	0	0	0	113.3	W145 L176 L180 L225 D226 L231 R232	W145-L229 HydrophobicContact CH2-CD1 4.29Å; W145-L229 HydrophobicContact CZ2-CD1 3.43Å; W145-L229 VanDerWaalsContact CZ2-CD1 3.43Å; L176-L229 HydrophobicContact CD1-CD2 3.94Å; L176-L229 HydrophobicContact CD2-CD2 4.33Å; L180-L229 HydrophobicContact CD2-CD2 4.24Å; L225-L229 HydrophobicContact CD1-CD1 4.33Å; L225-L229 HydrophobicContact CD1-CG 4.48Å; L225-L229 HydrophobicContact CG-CD1 3.91Å; L225-L229 HydrophobicContact CG-CG 4.46Å; L225-L229 WeakPolarHBondContact O-CB 3.32Å; L225-L229 VanDerWaalsContact O-CG 3.24Å; L225-L229 WeakPolarHBondContact O-CG 3.24Å; L225-L229 PolarHBondContact O-N 3.25Å; D226-L229 PolarHBondContact O-N 2.83Å; L229-L231 PolarHBondContact O-N 3.35Å; L229-R232 WeakPolarHBondContact O-CB 3.39Å; L229-R232 WeakPolarHBondContact O-CG 3.44Å; L229-R232 PolarHBondContact O-N 3.34Å
230	E	92.8	Very high	92.8	Very high	99 Å²	99	62.8 Å²	62.8	46%	0.463	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-55.6	-27.6	167.1	-73.8	170	-173	0	0	111.9	D226 M228 R232 E233	D226-E230 WeakPolarHBondContact O-CG 3.42Å; D226-E230 PolarHBondContact O-N 3.24Å; M228-E230 VanDerWaalsContact C-N 3.35Å; E230-R232 PolarHBondContact O-N 3.05Å; E230-E233 WeakPolarHBondContact O-CB 3.41Å; E230-E233 PolarHBondContact O-N 3.35Å
231	L	95.1	Very high	92.7	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-68.7	-1.6	177.1	-56.8	175.2	0	0	0	113.9	L180 C181 Q182 L183 M228 L229 E233 L241 F246	L180-L231 CarbonylContact C-O 3.51Å; L180-L231 HydrophobicContact CB-CB 4.28Å; C181-L231 PolarHBondContact N-O 3.2Å; C181-L231 VanDerWaalsContact N-O 3.16Å; Q182-L231 HydrophobicContact CB-CB 4.17Å; Q182-L231 HydrophobicContact CB-CD2 4.28Å; Q182-L231 HydrophobicContact CG-CB 4.45Å; Q182-L231 HydrophobicContact CG-CD2 4.48Å; Q182-L231 WeakPolarHBondContact CG-O 3.31Å; Q182-L231 PolarHBondContact N-O 3.46Å; L183-L231 HydrophobicContact CD1-CD1 3.65Å; L183-L231 HydrophobicContact CD2-CD1 4.46Å; L183-L231 HydrophobicContact CG-CD1 4.08Å; M228-L231 VanDerWaalsContact O-CB 3.25Å; M228-L231 WeakPolarHBondContact O-CB 3.48Å; M228-L231 WeakPolarHBondContact O-CG 3.49Å; M228-L231 PolarHBondContact O-N 3.46Å; L229-L231 PolarHBondContact O-N 3.35Å; L231-E233 VanDerWaalsContact C-N 3.3Å; L231-L241 HydrophobicContact CD2-CD2 3.78Å; L231-F246 HydrophobicContact CD1-CB 3.91Å; L231-F246 WeakPolarHBondContact CD1-O 3.06Å
232	R	93.5	Very high	92.6	Very high	113 Å²	113	60.7 Å²	60.7	43%	0.426	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-74.1	-22.1	165.6	-67.7	-174.4	167.1	168.4	0.3	112.6	T179 L180 C181 L229 E230 V234	T179-R232 PolarHBondContact OG1-NH2 2.92Å; L180-R232 HydrophobicContact CD2-CG 3.4Å; C181-R232 PolarHBondContact SG-O 3.05Å; C181-R232 VanDerWaalsContact SG-O 3.33Å; L229-R232 WeakPolarHBondContact O-CB 3.39Å; L229-R232 WeakPolarHBondContact O-CG 3.44Å; L229-R232 PolarHBondContact O-N 3.34Å; E230-R232 PolarHBondContact O-N 3.05Å; R232-V234 PolarHBondContact O-N 3.15Å
233	E	90.7	Very high	92.5	Very high	115 Å²	115	63.2 Å²	63.2	54%	0.537	36%	0.364	S	S	.	.			trans	-75.9	118.4	-178.6	-64.1	-169.1	178.6	0	0	110.9	Q182 E230 L231 T235 T236	Q182-E233 PolarHBondContact NE2-O 3.42Å; E230-E233 WeakPolarHBondContact O-CB 3.41Å; E230-E233 PolarHBondContact O-N 3.35Å; L231-E233 VanDerWaalsContact C-N 3.3Å; E233-T235 PolarHBondContact O-N 3.15Å; E233-T236 PolarHBondContact O-OG1 3.13Å
234	V	85.7	Confident	92.5	Very high	109 Å²	109	62.8 Å²	62.8	66%	0.661	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-32.1	177.8	-175.8	0	0	0	0	111.2	C181 Q182 R232 T236	C181-V234 HydrophobicContact CB-CG2 4.07Å; Q182-V234 PolarHBondContact NE2-O 2.84Å; R232-V234 PolarHBondContact O-N 3.15Å; V234-T236 PolarHBondContact O-N 3.35Å
235	T	87.5	Confident	92.5	Very high	127 Å²	127	61.9 Å²	61.9	78%	0.779	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	32	-172.7	53.3	0	0	0	0	114	E233	E233-T235 PolarHBondContact O-N 3.15Å
236	T	87.6	Confident	92.7	Very high	27 Å²	27	61.7 Å²	61.7	17%	0.166	35%	0.351	C	S	.	.			trans	-76.8	131.4	177.6	-51.4	0	0	0	0	110.2	E233 V234 Q240 L241	E233-T236 PolarHBondContact O-OG1 3.13Å; V234-T236 PolarHBondContact O-N 3.35Å; T236-Q240 HydrophobicContact CG2-CB 3.63Å; T236-L241 HydrophobicContact CG2-CD2 3.76Å; T236-L241 HydrophobicContact CG2-CG 3.8Å
237	S	92.2	Very high	92.8	Very high	53 Å²	53	58.7 Å²	58.7	37%	0.371	34%	0.335	S	S	.	.			trans	-71.3	154.7	177.2	67.3	0	0	0	0	112	A239 Q240 L241	S237-A239 PolarHBondContact O-N 2.77Å; S237-Q240 PolarHBondContact O-N 2.75Å; S237-Q240 VanDerWaalsContact O-N 3.12Å; S237-Q240 VanDerWaalsContact OG-CD 3.29Å; S237-Q240 VanDerWaalsContact OG-CG 3.27Å; S237-Q240 WeakPolarHBondContact OG-CG 3.44Å; S237-Q240 PolarHBondContact OG-N 3.46Å; S237-Q240 PolarHBondContact OG-OE1 3.45Å; S237-L241 PolarHBondContact O-N 3.44Å
238	E	90.8	Very high	92.8	Very high	155 Å²	155	60.6 Å²	60.6	72%	0.724	34%	0.34	S	S	*	.	H	α-helix	trans	-57.5	-37.4	176.5	-68.4	-177.3	171.1	0	0	112.6	Q240 L241 A242	E238-Q240 PolarHBondContact O-N 3.27Å; E238-L241 PolarHBondContact O-N 2.87Å; E238-A242 WeakPolarHBondContact O-CB 3.13Å; E238-A242 PolarHBondContact O-N 3.47Å
239	A	93.3	Very high	92.8	Very high	77 Å²	77	64.3 Å²	64.3	64%	0.636	36%	0.357	S	S	*	.	H	α-helix	trans	-64.5	-39.6	177.5	0	0	0	0	0	112.3	S237 A242 A243	S237-A239 PolarHBondContact O-N 2.77Å; A239-A242 PolarHBondContact O-N 3.03Å; A239-A243 WeakPolarHBondContact O-CB 3.5Å; A239-A243 PolarHBondContact O-N 3.06Å; A239-A243 VanDerWaalsContact O-N 3.08Å
240	Q	92.9	Very high	92.9	Very high	112 Å²	112	63.3 Å²	63.3	52%	0.523	35%	0.352	S	S	.	.	H	α-helix	trans	-67.7	-40.6	175.3	-73.5	166.1	-51.1	0	0	111.4	T236 S237 E238 A243 N244	T236-Q240 HydrophobicContact CG2-CB 3.63Å; S237-Q240 PolarHBondContact O-N 2.75Å; S237-Q240 VanDerWaalsContact O-N 3.12Å; S237-Q240 VanDerWaalsContact OG-CD 3.29Å; S237-Q240 VanDerWaalsContact OG-CG 3.27Å; S237-Q240 WeakPolarHBondContact OG-CG 3.44Å; S237-Q240 PolarHBondContact OG-N 3.46Å; S237-Q240 PolarHBondContact OG-OE1 3.45Å; E238-Q240 PolarHBondContact O-N 3.27Å; Q240-A243 PolarHBondContact O-N 2.99Å; Q240-N244 WeakPolarHBondContact O-CB 3.24Å; Q240-N244 PolarHBondContact O-N 2.87Å
241	L	93.2	Very high	93.1	Very high	15 Å²	15	58.7 Å²	58.7	8%	0.079	33%	0.331	C	S	.	.	H	α-helix	trans	-63.3	-41.8	174.9	-68.2	174.5	0	0	0	111.7	Q182 L231 T236 S237 E238 A243 N244 S247	Q182-L241 HydrophobicContact CG-CD2 4.17Å; L231-L241 HydrophobicContact CD2-CD2 3.78Å; T236-L241 HydrophobicContact CG2-CD2 3.76Å; T236-L241 HydrophobicContact CG2-CG 3.8Å; S237-L241 PolarHBondContact O-N 3.44Å; E238-L241 PolarHBondContact O-N 2.87Å; L241-A243 VanDerWaalsContact C-N 3.31Å; L241-A243 PolarHBondContact O-N 3.33Å; L241-N244 PolarHBondContact O-N 2.68Å; L241-S247 WeakPolarHBondContact O-CB 3.4Å; L241-S247 PolarHBondContact O-OG 2.97Å
242	A	92.2	Very high	93.1	Very high	51 Å²	51	61.8 Å²	61.8	42%	0.421	35%	0.349	S	S	.	.	H	α-helix	trans	-65.9	-32.3	178	0	0	0	0	0	113	E238 A239	E238-A242 WeakPolarHBondContact O-CB 3.13Å; E238-A242 PolarHBondContact O-N 3.47Å; A239-A242 PolarHBondContact O-N 3.03Å
243	A	93.6	Very high	93.2	Very high	88 Å²	88	61.8 Å²	61.8	73%	0.727	35%	0.349	S	S	*	.	H	α-helix	trans	-77.1	-26.2	174.7	0	0	0	0	0	112.8	A239 Q240 L241 W245	A239-A243 WeakPolarHBondContact O-CB 3.5Å; A239-A243 PolarHBondContact O-N 3.06Å; A239-A243 VanDerWaalsContact O-N 3.08Å; Q240-A243 PolarHBondContact O-N 2.99Å; L241-A243 VanDerWaalsContact C-N 3.31Å; L241-A243 PolarHBondContact O-N 3.33Å; A243-W245 PolarHBondContact O-N 3.12Å
244	N	95.4	Very high	93.5	Very high	14 Å²	14	56.5 Å²	56.5	8%	0.075	33%	0.325	C	S	.	.			trans	-83.1	112.7	-178.7	-171.7	-24.7	0	0	0	111.1	S227 Q240 L241 F246 S247 S250	S227-N244 PolarHBondContact O-ND2 3.25Å; Q240-N244 WeakPolarHBondContact O-CB 3.24Å; Q240-N244 PolarHBondContact O-N 2.87Å; L241-N244 PolarHBondContact O-N 2.68Å; N244-F246 PolarHBondContact O-N 2.86Å; N244-F246 WeakPolarHBondContact OD1-CB 3.36Å; N244-F246 PolarHBondContact OD1-N 3.28Å; N244-S247 WeakPolarHBondContact O-CB 3.27Å; N244-S247 PolarHBondContact O-N 2.92Å; N244-S247 PolarHBondContact O-OG 2.72Å; N244-S250 WeakPolarHBondContact O-CB 3.18Å; N244-S250 PolarHBondContact O-OG 3.16Å
245	W	96.3	Very high	94	Very high	15 Å²	15	53.3 Å²	53.3	6%	0.057	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-32.5	177.6	179.4	-91.3	0	0	0	113.8	T197 K201 A243 S247 S250 V254 V310 L311 E314	T197-W245 HydrophobicContact CG2-CZ2 3.86Å; T197-W245 PolarHBondContact O-NE1 2.91Å; K201-W245 HydrophobicContact CD-CB 3.88Å; K201-W245 HydrophobicContact CD-CD2 4.11Å; K201-W245 HydrophobicContact CD-CG 3.42Å; K201-W245 VanDerWaalsContact CD-CG 3.42Å; A243-W245 PolarHBondContact O-N 3.12Å; W245-S247 VanDerWaalsContact C-N 3.25Å; W245-S247 PolarHBondContact O-N 3.25Å; W245-S250 VanDerWaalsContact O-CB 3.27Å; W245-S250 WeakPolarHBondContact O-CB 3.24Å; W245-V254 HydrophobicContact CH2-CG1 4.5Å; W245-V254 HydrophobicContact CH2-CG2 3.72Å; W245-V254 HydrophobicContact CZ3-CG2 3.9Å; W245-V310 HydrophobicContact CH2-CG1 4.01Å; W245-V310 HydrophobicContact CZ3-CG1 4.39Å; W245-L311 HydrophobicContact CD2-CD2 4.32Å; W245-L311 HydrophobicContact CH2-CD2 3.74Å; W245-L311 HydrophobicContact CH2-CG 4.25Å; W245-L311 HydrophobicContact CZ2-CD2 3.51Å; W245-L311 HydrophobicContact CZ2-CG 4.09Å; W245-L311 HydrophobicContact CZ3-CD2 4.25Å; W245-E314 WeakPolarHBondContact CZ3-OE2 3.35Å
246	F	97.4	Very high	94.4	Very high	1 Å²	1	48.5 Å²	48.5	0%	0.004	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-4.6	-177.7	-58.2	-74.1	0	0	0	112.7	Y194 A198 K201 F202 F224 M228 L231 N244	Y194-F246 VanDerWaalsContact CE2-O 3.31Å; Y194-F246 WeakPolarHBondContact CE2-O 3.5Å; Y194-F246 PolarHBondContact OH-O 2.74Å; A198-F246 HydrophobicContact CB-CD1 4.02Å; A198-F246 HydrophobicContact CB-CE1 4.35Å; K201-F246 HydrophobicContact CB-CE1 4.41Å; K201-F246 HydrophobicContact CB-CZ 4.43Å; K201-F246 HydrophobicContact CD-CE1 4.38Å; K201-F246 HydrophobicContact CD-CE2 4.29Å; K201-F246 HydrophobicContact CD-CZ 3.81Å; K201-F246 HydrophobicContact CG-CZ 4.22Å; F202-F246 HydrophobicContact CD2-CE1 4.26Å; F202-F246 AromaticContact CE2-CE1 3.52Å; F202-F246 HydrophobicContact CE2-CE1 3.52Å; F202-F246 AromaticContact CE2-CZ 3.77Å; F202-F246 HydrophobicContact CE2-CZ 3.77Å; F202-F246 HydrophobicContact CZ-CE1 4.18Å; F202-F246 HydrophobicContact CZ-CZ 4.04Å; F224-F246 HydrophobicContact CB-CE2 3.9Å; F224-F246 HydrophobicContact CB-CZ 3.73Å; F224-F246 HydrophobicContact CG-CE2 4.44Å; F224-F246 HydrophobicContact CG-CZ 4.18Å; F224-F246 WeakPolarHBondContact O-CE2 3.47Å; M228-F246 HydrophobicContact CB-CB 4.24Å; M228-F246 HydrophobicContact CB-CD2 4.24Å; M228-F246 HydrophobicContact CB-CG 4.06Å; M228-F246 HydrophobicContact CG-CB 4.2Å; M228-F246 HydrophobicContact CG-CG 4.35Å; L231-F246 HydrophobicContact CD1-CB 3.91Å; L231-F246 WeakPolarHBondContact CD1-O 3.06Å; N244-F246 PolarHBondContact O-N 2.86Å; N244-F246 WeakPolarHBondContact OD1-CB 3.36Å; N244-F246 PolarHBondContact OD1-N 3.28Å
247	S	96.2	Very high	94.8	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.007	28%	0.284	C	S	.	.	S	Bend	trans	-67.3	155.2	177.7	78.1	0	0	0	0	111.8	L241 N244 W245 Q249 S250 A251	L241-S247 WeakPolarHBondContact O-CB 3.4Å; L241-S247 PolarHBondContact O-OG 2.97Å; N244-S247 WeakPolarHBondContact O-CB 3.27Å; N244-S247 PolarHBondContact O-N 2.92Å; N244-S247 PolarHBondContact O-OG 2.72Å; W245-S247 VanDerWaalsContact C-N 3.25Å; W245-S247 PolarHBondContact O-N 3.25Å; S247-Q249 PolarHBondContact O-N 2.62Å; S247-Q249 PolarHBondContact OG-N 3.44Å; S247-S250 PolarHBondContact O-N 3.36Å; S247-S250 PolarHBondContact OG-N 2.9Å; S247-S250 VanDerWaalsContact OG-N 3.09Å; S247-S250 PolarHBondContact OG-OG 2.96Å; S247-A251 PolarHBondContact O-N 2.85Å; S247-A251 VanDerWaalsContact O-N 3.17Å
248	H	95	Very high	95	Very high	78 Å²	78	47.1 Å²	47.1	36%	0.361	27%	0.267	S	S	.	.	H	α-helix	trans	-56.2	-39.9	171.6	179.5	68.6	0	0	0	111.5	L183 L186 F190 S250 A251 V252	L183-H248 HydrophobicContact CD2-CB 3.85Å; L186-H248 WeakPolarHBondContact CD2-ND1 3.39Å; F190-H248 AromaticContact CD1-CE1 3.88Å; F190-H248 AromaticContact CE1-CE1 3.84Å; F190-H248 AromaticContact CE1-ND1 3.83Å; H248-S250 PolarHBondContact O-N 2.6Å; H248-A251 PolarHBondContact O-N 3.38Å; H248-V252 WeakPolarHBondContact NE2-CG2 3.4Å; H248-V252 WeakPolarHBondContact O-CB 3.33Å; H248-V252 VanDerWaalsContact O-CG2 3.31Å; H248-V252 WeakPolarHBondContact O-CG2 3.5Å; H248-V252 PolarHBondContact O-N 2.93Å
249	Q	94.3	Very high	95.2	Very high	77 Å²	77	43.5 Å²	43.5	36%	0.36	25%	0.253	S	S	.	.	H	α-helix	trans	-61.8	-44.7	-179.7	-64.6	179	-8	0	0	112.2	S247 V252 R253	S247-Q249 PolarHBondContact O-N 2.62Å; S247-Q249 PolarHBondContact OG-N 3.44Å; Q249-V252 PolarHBondContact O-N 3.28Å; Q249-R253 WeakPolarHBondContact O-CB 3.24Å; Q249-R253 PolarHBondContact O-N 3.33Å
250	S	95.7	Very high	95.4	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-63.8	-44.5	177	-68	0	0	0	0	111.6	N244 W245 S247 H248 V252 R253 V254	N244-S250 WeakPolarHBondContact O-CB 3.18Å; N244-S250 PolarHBondContact O-OG 3.16Å; W245-S250 VanDerWaalsContact O-CB 3.27Å; W245-S250 WeakPolarHBondContact O-CB 3.24Å; S247-S250 PolarHBondContact O-N 3.36Å; S247-S250 PolarHBondContact OG-N 2.9Å; S247-S250 VanDerWaalsContact OG-N 3.09Å; S247-S250 PolarHBondContact OG-OG 2.96Å; H248-S250 PolarHBondContact O-N 2.6Å; S250-V252 PolarHBondContact O-N 3.03Å; S250-R253 WeakPolarHBondContact O-CB 3.46Å; S250-R253 PolarHBondContact O-N 3.36Å; S250-V254 WeakPolarHBondContact O-CG2 3.2Å; S250-V254 PolarHBondContact O-N 3.4Å
251	A	96.4	Very high	95.6	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-62.8	-43.6	177	0	0	0	0	0	112.2	F190 Y194 T197 S247 H248 R253 V254 Y255	F190-A251 HydrophobicContact CE1-CB 4.15Å; F190-A251 HydrophobicContact CZ-CB 3.9Å; Y194-A251 HydrophobicContact CD2-CB 3.61Å; Y194-A251 HydrophobicContact CE2-CB 4.15Å; T197-A251 HydrophobicContact CG2-CB 4.44Å; S247-A251 PolarHBondContact O-N 2.85Å; S247-A251 VanDerWaalsContact O-N 3.17Å; H248-A251 PolarHBondContact O-N 3.38Å; A251-R253 VanDerWaalsContact C-N 3.35Å; A251-V254 PolarHBondContact O-N 2.93Å; A251-Y255 VanDerWaalsContact O-CB 3.29Å; A251-Y255 WeakPolarHBondContact O-CB 3.17Å; A251-Y255 PolarHBondContact O-N 3Å
252	V	95.3	Very high	95.8	Very high	65 Å²	65	41.2 Å²	41.2	39%	0.394	23%	0.233	S	C	.	.	H	α-helix	trans	-64.5	-38.7	176.3	169.7	0	0	0	0	111.4	F190 H248 Q249 S250 G256	F190-V252 HydrophobicContact CE1-CG2 3.83Å; F190-V252 HydrophobicContact CZ-CG2 3.91Å; H248-V252 WeakPolarHBondContact NE2-CG2 3.4Å; H248-V252 WeakPolarHBondContact O-CB 3.33Å; H248-V252 VanDerWaalsContact O-CG2 3.31Å; H248-V252 WeakPolarHBondContact O-CG2 3.5Å; H248-V252 PolarHBondContact O-N 2.93Å; Q249-V252 PolarHBondContact O-N 3.28Å; S250-V252 PolarHBondContact O-N 3.03Å; V252-G256 WeakPolarHBondContact O-CA 3.46Å; V252-G256 PolarHBondContact O-N 2.68Å
253	R	95.5	Very high	95.9	Very high	113 Å²	113	45.1 Å²	45.1	43%	0.426	24%	0.242	S	C	.	.	H	α-helix	trans	-59	-51.3	175.6	-177.6	-173	78.3	-143.3	9.3	111.1	Q249 S250 A251 S257 E314	Q249-R253 WeakPolarHBondContact O-CB 3.24Å; Q249-R253 PolarHBondContact O-N 3.33Å; S250-R253 WeakPolarHBondContact O-CB 3.46Å; S250-R253 PolarHBondContact O-N 3.36Å; A251-R253 VanDerWaalsContact C-N 3.35Å; R253-S257 WeakPolarHBondContact O-CB 3.47Å; R253-S257 PolarHBondContact O-N 3.02Å; R253-E314 IonicContact CZ-OE1 3.62Å; R253-E314 IonicContact NH2-OE1 3.36Å; R253-E314 PolarHBondContact NH2-OE1 2.97Å; R253-E314 IonicContact NH2-OE2 2.73Å; R253-E314 PolarHBondContact NH2-OE2 2.83Å
254	V	96.6	Very high	96	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.024	23%	0.233	C	C	.	.	H	α-helix	trans	-69	-45.7	-175.5	177.6	0	0	0	0	111	W245 S250 A251 S257 Y258 Y306 L307 V310	W245-V254 HydrophobicContact CH2-CG1 4.5Å; W245-V254 HydrophobicContact CH2-CG2 3.72Å; W245-V254 HydrophobicContact CZ3-CG2 3.9Å; S250-V254 WeakPolarHBondContact O-CG2 3.2Å; S250-V254 PolarHBondContact O-N 3.4Å; A251-V254 PolarHBondContact O-N 2.93Å; V254-S257 PolarHBondContact O-N 3.15Å; V254-Y258 PolarHBondContact O-N 3.47Å; V254-Y258 VanDerWaalsContact O-N 3.08Å; V254-Y306 HydrophobicContact CG1-CE1 4.02Å; V254-L307 HydrophobicContact CG1-CD2 3.5Å; V254-L307 VanDerWaalsContact CG1-CD2 3.5Å; V254-V310 HydrophobicContact CG1-CG1 4.3Å; V254-V310 HydrophobicContact CG1-CG2 4.47Å; V254-V310 HydrophobicContact CG2-CG1 4.37Å
255	Y	96.3	Very high	95.9	Very high	43 Å²	43	55.2 Å²	55.2	17%	0.169	27%	0.268	C	S	.	.	H	α-helix	trans	-68.4	-38.6	177.5	-174.8	-118	0	0	0	112.5	F190 F193 A251 S257 Y258 L259 Y303	F190-Y255 AromaticContact CD2-CD1 3.9Å; F190-Y255 HydrophobicContact CD2-CD1 3.9Å; F190-Y255 HydrophobicContact CD2-CE1 4.18Å; F190-Y255 AromaticContact CE2-CD1 3.46Å; F190-Y255 HydrophobicContact CE2-CD1 3.46Å; F190-Y255 VanDerWaalsContact CE2-CD1 3.46Å; F190-Y255 HydrophobicContact CE2-CE1 4.18Å; F190-Y255 AromaticContact CE2-CG 3.83Å; F190-Y255 HydrophobicContact CE2-CG 3.83Å; F193-Y255 HydrophobicContact CB-CD2 4.27Å; F193-Y255 HydrophobicContact CB-CE2 4.36Å; F193-Y255 HydrophobicContact CB-CG 4.48Å; F193-Y255 AromaticContact CD1-CD2 3.83Å; F193-Y255 HydrophobicContact CD1-CD2 3.83Å; F193-Y255 AromaticContact CD1-CE2 3.29Å; F193-Y255 HydrophobicContact CD1-CE2 3.29Å; F193-Y255 AromaticContact CD1-CZ 3.79Å; F193-Y255 HydrophobicContact CD2-CE1 4.26Å; F193-Y255 HydrophobicContact CD2-CE2 4.19Å; F193-Y255 AromaticContact CD2-CZ 3.84Å; F193-Y255 HydrophobicContact CE1-CD2 4.4Å; F193-Y255 AromaticContact CE1-CE2 3.45Å; F193-Y255 HydrophobicContact CE1-CE2 3.45Å; F193-Y255 VanDerWaalsContact CE1-CE2 3.45Å; F193-Y255 AromaticContact CE1-CZ 3.79Å; F193-Y255 HydrophobicContact CE2-CE2 4.33Å; F193-Y255 AromaticContact CE2-CZ 3.84Å; F193-Y255 WeakPolarHBondContact CE2-OH 3.41Å; F193-Y255 HydrophobicContact CG-CD2 4.09Å; F193-Y255 HydrophobicContact CG-CE1 4.34Å; F193-Y255 AromaticContact CG-CE2 3.69Å; F193-Y255 HydrophobicContact CG-CE2 3.69Å; F193-Y255 AromaticContact CG-CZ 3.81Å; F193-Y255 AromaticContact CZ-CE2 3.98Å; F193-Y255 HydrophobicContact CZ-CE2 3.98Å; F193-Y255 AromaticContact CZ-CZ 3.81Å; F193-Y255 WeakPolarHBondContact CZ-OH 3.29Å; A251-Y255 VanDerWaalsContact O-CB 3.29Å; A251-Y255 WeakPolarHBondContact O-CB 3.17Å; A251-Y255 PolarHBondContact O-N 3Å; Y255-S257 VanDerWaalsContact C-N 3.33Å; Y255-S257 PolarHBondContact O-N 2.9Å; Y255-Y258 HydrophobicContact CE2-CD1 4.41Å; Y255-Y258 VanDerWaalsContact O-CB 3.32Å; Y255-Y258 WeakPolarHBondContact O-CB 3.41Å; Y255-Y258 PolarHBondContact O-N 3.34Å; Y255-Y258 VanDerWaalsContact O-N 3.14Å; Y255-L259 HydrophobicContact CD1-CD1 3.95Å; Y255-L259 HydrophobicContact CD1-CG 4.38Å; Y255-L259 HydrophobicContact CE1-CD1 3.53Å; Y255-L259 HydrophobicContact CE1-CD2 4.42Å; Y255-L259 HydrophobicContact CE1-CG 4.03Å; Y255-L259 HydrophobicContact CE2-CD2 4.34Å; Y255-L259 HydrophobicContact CE2-CG 4.32Å; Y255-L259 WeakPolarHBondContact O-CG 3.31Å; Y255-L259 PolarHBondContact O-N 3.43Å; Y255-Y303 HydrophobicContact CD2-CD2 4.28Å; Y255-Y303 HydrophobicContact CD2-CE1 4.33Å; Y255-Y303 AromaticContact CD2-CE2 3.79Å; Y255-Y303 HydrophobicContact CD2-CE2 3.79Å; Y255-Y303 AromaticContact CD2-CZ 3.81Å
256	G	95.6	Very high	95.9	Very high	26 Å²	26	57.8 Å²	57.8	27%	0.268	28%	0.283	S	S	.	.	H	α-helix	trans	-61.6	-41.4	174.2	0	0	0	0	0	112	V252 Y258 L259 L260	V252-G256 WeakPolarHBondContact O-CA 3.46Å; V252-G256 PolarHBondContact O-N 2.68Å; G256-Y258 VanDerWaalsContact C-N 3.32Å; G256-Y258 PolarHBondContact O-N 2.92Å; G256-L259 PolarHBondContact O-N 3.15Å; G256-L260 WeakPolarHBondContact O-CG 3.37Å; G256-L260 PolarHBondContact O-N 2.91Å
257	S	96	Very high	95.7	Very high	44 Å²	44	59.5 Å²	59.5	31%	0.308	30%	0.3	S	S	.	.	H	α-helix	trans	-61.3	-40	172.5	-173.8	0	0	0	0	111.9	R253 V254 Y255 L260 L261 Y306	R253-S257 WeakPolarHBondContact O-CB 3.47Å; R253-S257 PolarHBondContact O-N 3.02Å; V254-S257 PolarHBondContact O-N 3.15Å; Y255-S257 VanDerWaalsContact C-N 3.33Å; Y255-S257 PolarHBondContact O-N 2.9Å; S257-L260 PolarHBondContact O-N 3.48Å; S257-L261 WeakPolarHBondContact O-CG 3.04Å; S257-L261 PolarHBondContact O-N 2.92Å; S257-Y306 WeakPolarHBondContact CB-OH 3.37Å; S257-Y306 PolarHBondContact OG-OH 3.31Å
258	Y	97	Very high	95.8	Very high	6 Å²	6	61.5 Å²	61.5	2%	0.024	31%	0.311	C	S	.	.	H	α-helix	trans	-60.8	-49	175.1	-177.5	-98.6	0	0	0	112	V254 Y255 G256 L260 L261 D262 G267 L268 L269 Y303 Y306	V254-Y258 PolarHBondContact O-N 3.47Å; V254-Y258 VanDerWaalsContact O-N 3.08Å; Y255-Y258 HydrophobicContact CE2-CD1 4.41Å; Y255-Y258 VanDerWaalsContact O-CB 3.32Å; Y255-Y258 WeakPolarHBondContact O-CB 3.41Å; Y255-Y258 PolarHBondContact O-N 3.34Å; Y255-Y258 VanDerWaalsContact O-N 3.14Å; G256-Y258 VanDerWaalsContact C-N 3.32Å; G256-Y258 PolarHBondContact O-N 2.92Å; Y258-L260 VanDerWaalsContact C-N 3.25Å; Y258-L260 PolarHBondContact O-N 3.3Å; Y258-L261 WeakPolarHBondContact O-CB 3.41Å; Y258-L261 PolarHBondContact O-N 3.02Å; Y258-D262 PolarHBondContact O-N 3.13Å; Y258-G267 PolarHBondContact OH-O 3.36Å; Y258-L268 WeakPolarHBondContact OH-CA 3.24Å; Y258-L269 HydrophobicContact CD2-CD1 3.57Å; Y258-L269 HydrophobicContact CD2-CG 4.03Å; Y258-L269 HydrophobicContact CE2-CD1 3.48Å; Y258-L269 VanDerWaalsContact CE2-CD1 3.48Å; Y258-L269 HydrophobicContact CE2-CD2 4.28Å; Y258-L269 HydrophobicContact CE2-CG 3.53Å; Y258-Y303 AromaticContact CD1-CD2 3.88Å; Y258-Y303 HydrophobicContact CD1-CD2 3.88Å; Y258-Y303 AromaticContact CD2-CD2 3.64Å; Y258-Y303 HydrophobicContact CD2-CD2 3.64Å; Y258-Y303 HydrophobicContact CD2-CE2 4.39Å; Y258-Y303 HydrophobicContact CE1-CD2 4.26Å; Y258-Y303 AromaticContact CE2-CD2 4Å; Y258-Y303 HydrophobicContact CE2-CD2 4Å; Y258-Y303 AromaticContact CG-CD2 3.55Å; Y258-Y303 HydrophobicContact CG-CD2 3.55Å; Y258-Y303 HydrophobicContact CG-CE2 4.07Å; Y258-Y303 PolarHBondContact OH-N 2.95Å; Y258-Y306 AromaticContact CD2-CD1 3.55Å; Y258-Y306 HydrophobicContact CD2-CD1 3.55Å; Y258-Y306 HydrophobicContact CD2-CD2 4.18Å; Y258-Y306 HydrophobicContact CD2-CE1 4.03Å; Y258-Y306 AromaticContact CD2-CG 3.62Å; Y258-Y306 HydrophobicContact CD2-CG 3.62Å; Y258-Y306 HydrophobicContact CE2-CD1 4.37Å; Y258-Y306 HydrophobicContact CE2-CG 4.15Å; Y258-Y306 HydrophobicContact CG-CD1 4.28Å; Y258-Y306 HydrophobicContact CG-CE1 4.44Å
259	L	95.6	Very high	95.9	Very high	80 Å²	80	57.8 Å²	57.8	42%	0.419	29%	0.294	S	S	.	.	H	α-helix	trans	-64.8	-26	178.9	-69.1	179.4	0	0	0	114	Y255 G256 L261	Y255-L259 HydrophobicContact CD1-CD1 3.95Å; Y255-L259 HydrophobicContact CD1-CG 4.38Å; Y255-L259 HydrophobicContact CE1-CD1 3.53Å; Y255-L259 HydrophobicContact CE1-CD2 4.42Å; Y255-L259 HydrophobicContact CE1-CG 4.03Å; Y255-L259 HydrophobicContact CE2-CD2 4.34Å; Y255-L259 HydrophobicContact CE2-CG 4.32Å; Y255-L259 WeakPolarHBondContact O-CG 3.31Å; Y255-L259 PolarHBondContact O-N 3.43Å; G256-L259 PolarHBondContact O-N 3.15Å; L259-L261 VanDerWaalsContact C-N 3.33Å
260	L	96.5	Very high	96.1	Very high	141 Å²	141	56 Å²	56	74%	0.738	29%	0.288	S	S	*	.	H	α-helix	trans	-75.2	-26	173.4	-74.1	171.7	0	0	0	112.2	G256 S257 Y258	G256-L260 WeakPolarHBondContact O-CG 3.37Å; G256-L260 PolarHBondContact O-N 2.91Å; S257-L260 PolarHBondContact O-N 3.48Å; Y258-L260 VanDerWaalsContact C-N 3.25Å; Y258-L260 PolarHBondContact O-N 3.3Å
261	L	97.5	Very high	96.2	Very high	10 Å²	10	58.9 Å²	58.9	5%	0.052	30%	0.298	C	S	.	.	H	α-helix	trans	-82.2	-41.7	176.5	-64.4	171	0	0	0	111.4	S257 Y258 L259 E263 L269 E273 L274 R276 F277 Y306	S257-L261 WeakPolarHBondContact O-CG 3.04Å; S257-L261 PolarHBondContact O-N 2.92Å; Y258-L261 WeakPolarHBondContact O-CB 3.41Å; Y258-L261 PolarHBondContact O-N 3.02Å; L259-L261 VanDerWaalsContact C-N 3.33Å; L261-E263 PolarHBondContact O-N 3.48Å; L261-L269 HydrophobicContact CB-CD1 4.23Å; L261-L269 HydrophobicContact CB-CD2 3.63Å; L261-L269 HydrophobicContact CD1-CD1 4.2Å; L261-E273 WeakPolarHBondContact CD2-O 3.07Å; L261-E273 WeakPolarHBondContact O-CB 3.5Å; L261-E273 WeakPolarHBondContact O-CG 3.42Å; L261-L274 HydrophobicContact CD1-CD1 4.34Å; L261-R276 HydrophobicContact CD2-CB 3.68Å; L261-R276 PolarHBondContact O-NH2 3.19Å; L261-F277 HydrophobicContact CD1-CB 4.3Å; L261-F277 HydrophobicContact CD1-CD2 4.23Å; L261-Y306 HydrophobicContact CD1-CE2 3.87Å
262	D	96.9	Very high	96.2	Very high	5 Å²	5	62.7 Å²	62.7	3%	0.027	33%	0.325	C	S	.	.			trans	-71.2	89	178.6	-178.6	3	0	0	0	110.8	Y258 D264 R265 N266 G267 L269	Y258-D262 PolarHBondContact O-N 3.13Å; D262-D264 VanDerWaalsContact OD1-OD1 3.1Å; D262-R265 WeakPolarHBondContact OD1-CA 3.39Å; D262-R265 PolarHBondContact OD1-N 3.12Å; D262-R265 WeakPolarHBondContact OD2-CA 3.48Å; D262-N266 PolarHBondContact OD1-N 3.25Å; D262-G267 WeakPolarHBondContact OD2-CA 3.19Å; D262-G267 PolarHBondContact OD2-N 3.39Å; D262-L269 HydrophobicContact CB-CD2 3.71Å; D262-L269 VanDerWaalsContact N-CD2 3.33Å
263	E	95.1	Very high	96.3	Very high	132 Å²	132	60.1 Å²	60.1	62%	0.617	31%	0.309	S	S	*	.	S	Bend	trans	-73.6	-37.3	-172.1	-78.9	179.9	176	0	0	112.1	L261 E273 R276	L261-E263 PolarHBondContact O-N 3.48Å; E263-E273 PolarHBondContact N-OE1 3.5Å; E263-R276 IonicContact OE1-CZ 3.81Å; E263-R276 IonicContact OE1-NE 3.82Å; E263-R276 IonicContact OE1-NH1 3.04Å; E263-R276 PolarHBondContact OE1-NH1 2.94Å; E263-R276 IonicContact OE1-NH2 3.66Å; E263-R276 PolarHBondContact OE1-NH2 3.29Å; E263-R276 VanDerWaalsContact OE1-NH2 3.15Å; E263-R276 IonicContact OE2-NH1 3.04Å
264	D	95.5	Very high	96.4	Very high	99 Å²	99	54.8 Å²	54.8	53%	0.529	29%	0.289	S	S	.	.	S	Bend	trans	-88.1	-9.6	-178.9	77.4	-5.1	0	0	0	113.2	D262 N266	D262-D264 VanDerWaalsContact OD1-OD1 3.1Å; D264-N266 VanDerWaalsContact C-N 3.26Å; D264-N266 PolarHBondContact O-N 2.83Å; D264-N266 VanDerWaalsContact OD1-CB 3.24Å; D264-N266 WeakPolarHBondContact OD1-CB 3.44Å; D264-N266 PolarHBondContact OD1-N 2.92Å; D264-N266 PolarHBondContact OD1-ND2 3.34Å; D264-N266 VanDerWaalsContact OD1-ND2 3.13Å; D264-N266 PolarHBondContact OD1-OD1 3.25Å; D264-N266 PolarHBondContact OD2-ND2 3.49Å
265	R	94	Very high	96.4	Very high	215 Å²	215	56.6 Å²	56.6	81%	0.811	30%	0.301	S	S	*	.			trans	61.7	33.2	178.6	-56	-177.6	177.4	-173.7	-2	112.7	D262 G267	D262-R265 WeakPolarHBondContact OD1-CA 3.39Å; D262-R265 PolarHBondContact OD1-N 3.12Å; D262-R265 WeakPolarHBondContact OD2-CA 3.48Å; R265-G267 VanDerWaalsContact C-N 3.25Å
266	N	94.8	Very high	96.3	Very high	70 Å²	70	58.9 Å²	58.9	37%	0.374	31%	0.31	S	S	.	.	S	Bend	trans	-80.7	-9.3	177.7	75.3	19.8	0	0	0	112.4	D262 D264 L268	D262-N266 PolarHBondContact OD1-N 3.25Å; D264-N266 VanDerWaalsContact C-N 3.26Å; D264-N266 PolarHBondContact O-N 2.83Å; D264-N266 VanDerWaalsContact OD1-CB 3.24Å; D264-N266 WeakPolarHBondContact OD1-CB 3.44Å; D264-N266 PolarHBondContact OD1-N 2.92Å; D264-N266 PolarHBondContact OD1-ND2 3.34Å; D264-N266 VanDerWaalsContact OD1-ND2 3.13Å; D264-N266 PolarHBondContact OD1-OD1 3.25Å; D264-N266 PolarHBondContact OD2-ND2 3.49Å; N266-L268 WeakPolarHBondContact OD1-CA 3.36Å; N266-L268 WeakPolarHBondContact OD1-CB 3.36Å; N266-L268 PolarHBondContact OD1-N 3.37Å; N266-L268 PolarHBondContact OD1-O 3.12Å
267	G	94.2	Very high	96.3	Very high	36 Å²	36	59 Å²	59	37%	0.371	30%	0.303	S	S	.	.	S	Bend	trans	85.7	11.8	179.7	0	0	0	0	0	114	Y258 D262 R265	Y258-G267 PolarHBondContact OH-O 3.36Å; D262-G267 WeakPolarHBondContact OD2-CA 3.19Å; D262-G267 PolarHBondContact OD2-N 3.39Å; R265-G267 VanDerWaalsContact C-N 3.25Å
268	L	97.5	Very high	95.8	Very high	43 Å²	43	58.7 Å²	58.7	23%	0.225	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	161.1	174.4	-56.3	172.9	0	0	0	109.4	Y258 N266 Y297 E300 M301 D302	Y258-L268 WeakPolarHBondContact OH-CA 3.24Å; N266-L268 WeakPolarHBondContact OD1-CA 3.36Å; N266-L268 WeakPolarHBondContact OD1-CB 3.36Å; N266-L268 PolarHBondContact OD1-N 3.37Å; N266-L268 PolarHBondContact OD1-O 3.12Å; L268-Y297 HydrophobicContact CD2-CD2 4.48Å; L268-E300 HydrophobicContact CB-CB 3.67Å; L268-E300 HydrophobicContact CD1-CB 4.11Å; L268-E300 WeakPolarHBondContact CD1-OE2 3.45Å; L268-E300 HydrophobicContact CG-CB 4.45Å; L268-M301 CarbonylContact C-O 3.54Å; L268-M301 VanDerWaalsContact CA-O 3.3Å; L268-M301 WeakPolarHBondContact CA-O 3.38Å; L268-D302 HydrophobicContact CD2-CB 3.85Å
269	L	98.2	Very high	95.4	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	124.2	177.4	-65.5	179.8	0	0	0	110.9	Y258 L261 D262 E273 L274 F291 E300 M301 Y306	Y258-L269 HydrophobicContact CD2-CD1 3.57Å; Y258-L269 HydrophobicContact CD2-CG 4.03Å; Y258-L269 HydrophobicContact CE2-CD1 3.48Å; Y258-L269 VanDerWaalsContact CE2-CD1 3.48Å; Y258-L269 HydrophobicContact CE2-CD2 4.28Å; Y258-L269 HydrophobicContact CE2-CG 3.53Å; L261-L269 HydrophobicContact CB-CD1 4.23Å; L261-L269 HydrophobicContact CB-CD2 3.63Å; L261-L269 HydrophobicContact CD1-CD1 4.2Å; D262-L269 HydrophobicContact CB-CD2 3.71Å; D262-L269 VanDerWaalsContact N-CD2 3.33Å; L269-E273 HydrophobicContact CD2-CB 4.27Å; L269-L274 HydrophobicContact CD1-CD1 4.03Å; L269-F291 WeakPolarHBondContact O-CE1 3.46Å; L269-F291 WeakPolarHBondContact O-CZ 3.41Å; L269-E300 CarbonylContact O-C 3.53Å; L269-E300 WeakPolarHBondContact O-CA 3.15Å; L269-M301 HydrophobicContact CB-CB 4.39Å; L269-M301 PolarHBondContact N-O 3.32Å; L269-M301 PolarHBondContact O-N 2.75Å; L269-Y306 HydrophobicContact CD1-CD2 3.83Å; L269-Y306 HydrophobicContact CD1-CE2 4.39Å; L269-Y306 HydrophobicContact CD1-CG 4.31Å
270	T	97.8	Very high	95.3	Very high	39 Å²	39	62.8 Å²	62.8	24%	0.239	33%	0.334	C	S	.	.			trans	-72.1	162.5	166.9	63.7	0	0	0	0	111.3	S272 E273 L274 E300	T270-S272 PolarHBondContact O-N 3.19Å; T270-E273 WeakPolarHBondContact CB-OE2 3.21Å; T270-E273 WeakPolarHBondContact CG2-OE2 3.48Å; T270-E273 PolarHBondContact N-OE2 2.97Å; T270-E273 PolarHBondContact O-N 3.34Å; T270-E273 WeakPolarHBondContact OG1-CB 3.39Å; T270-E273 VanDerWaalsContact OG1-CG 3.24Å; T270-E273 WeakPolarHBondContact OG1-CG 3.44Å; T270-E273 PolarHBondContact OG1-N 3.11Å; T270-E273 VanDerWaalsContact OG1-N 3.14Å; T270-E273 PolarHBondContact OG1-OE2 2.94Å; T270-L274 PolarHBondContact O-N 3.2Å; T270-E300 HydrophobicContact CG2-CG 4.04Å; T270-E300 WeakPolarHBondContact CG2-OE1 3.33Å
271	R	97.2	Very high	95.2	Very high	64 Å²	64	57.4 Å²	57.4	24%	0.242	31%	0.307	C	S	.	.	H	α-helix	trans	-53.6	-42	170.7	176.6	-85.9	174.4	85.3	2.5	112	E273 L274 S275 D284 D288 F291	R271-E273 VanDerWaalsContact C-N 3.34Å; R271-L274 PolarHBondContact O-N 3.07Å; R271-S275 PolarHBondContact O-N 3.37Å; R271-S275 VanDerWaalsContact O-N 3.08Å; R271-D284 IonicContact CZ-OD1 2.72Å; R271-D284 IonicContact NE-OD1 3.37Å; R271-D284 VanDerWaalsContact NH2-CA 3.31Å; R271-D284 PolarHBondContact NH2-O 3.43Å; R271-D284 IonicContact NH2-OD1 2.72Å; R271-D284 PolarHBondContact NH2-OD1 3.49Å; R271-D288 IonicContact CZ-OD1 2.78Å; R271-D288 IonicContact CZ-OD2 2.78Å; R271-D288 IonicContact NH1-OD1 3.81Å; R271-D288 PolarHBondContact NH1-OD1 3.47Å; R271-D288 IonicContact NH1-OD2 3.07Å; R271-D288 PolarHBondContact NH1-OD2 2.88Å; R271-D288 VanDerWaalsContact NH1-OD2 3.07Å; R271-D288 IonicContact NH2-OD1 2.8Å; R271-D288 IonicContact NH2-OD2 3.94Å; R271-D288 PolarHBondContact NH2-OD2 3.31Å; R271-F291 VanDerWaalsContact CA-CE2 3.43Å; R271-F291 VanDerWaalsContact CA-CZ 3.47Å; R271-F291 HydrophobicContact CB-CD1 4.44Å; R271-F291 HydrophobicContact CB-CD2 3.96Å; R271-F291 HydrophobicContact CB-CE1 4.42Å; R271-F291 HydrophobicContact CB-CE2 3.92Å; R271-F291 HydrophobicContact CB-CG 4.24Å; R271-F291 HydrophobicContact CB-CZ 4.18Å; R271-F291 HydrophobicContact CG-CD2 4.28Å; R271-F291 HydrophobicContact CG-CE2 4.44Å; R271-F291 VanDerWaalsContact N-CZ 3.27Å
272	S	97	Very high	95.1	Very high	81 Å²	81	57.1 Å²	57.1	57%	0.566	31%	0.306	S	S	*	.	H	α-helix	trans	-65.7	-39.4	-178	-61.2	0	0	0	0	111.2	T270 S275	T270-S272 PolarHBondContact O-N 3.19Å; S272-S275 WeakPolarHBondContact O-CB 3.42Å; S272-S275 PolarHBondContact O-N 2.86Å; S272-S275 PolarHBondContact O-OG 3.03Å
273	E	97.5	Very high	95.1	Very high	12 Å²	12	56.9 Å²	56.9	6%	0.056	31%	0.305	C	S	.	.	H	α-helix	trans	-68.1	-45.5	176.2	-71.5	166.1	133.3	0	0	111.9	L261 E263 L269 T270 R271 S275 R276	L261-E273 WeakPolarHBondContact CD2-O 3.07Å; L261-E273 WeakPolarHBondContact O-CB 3.5Å; L261-E273 WeakPolarHBondContact O-CG 3.42Å; E263-E273 PolarHBondContact N-OE1 3.5Å; L269-E273 HydrophobicContact CD2-CB 4.27Å; T270-E273 WeakPolarHBondContact CB-OE2 3.21Å; T270-E273 WeakPolarHBondContact CG2-OE2 3.48Å; T270-E273 PolarHBondContact N-OE2 2.97Å; T270-E273 PolarHBondContact O-N 3.34Å; T270-E273 WeakPolarHBondContact OG1-CB 3.39Å; T270-E273 VanDerWaalsContact OG1-CG 3.24Å; T270-E273 WeakPolarHBondContact OG1-CG 3.44Å; T270-E273 PolarHBondContact OG1-N 3.11Å; T270-E273 VanDerWaalsContact OG1-N 3.14Å; T270-E273 PolarHBondContact OG1-OE2 2.94Å; R271-E273 VanDerWaalsContact C-N 3.34Å; E273-S275 PolarHBondContact O-N 2.93Å; E273-S275 VanDerWaalsContact O-N 3.12Å; E273-R276 PolarHBondContact O-N 3.36Å; E273-R276 VanDerWaalsContact O-N 3.17Å
274	L	97.4	Very high	95.2	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-62.6	-20.8	177.2	-163.6	69.9	0	0	0	112.5	L261 L269 T270 R271 R276 F277 L287 V290 F291 M301 Y306 L309	L261-L274 HydrophobicContact CD1-CD1 4.34Å; L269-L274 HydrophobicContact CD1-CD1 4.03Å; T270-L274 PolarHBondContact O-N 3.2Å; R271-L274 PolarHBondContact O-N 3.07Å; L274-R276 PolarHBondContact O-N 3.45Å; L274-R276 VanDerWaalsContact O-N 3.11Å; L274-F277 HydrophobicContact CD1-CB 4.16Å; L274-F277 HydrophobicContact CG-CB 4.41Å; L274-F277 WeakPolarHBondContact O-CB 3.45Å; L274-F277 PolarHBondContact O-N 3.34Å; L274-L287 HydrophobicContact CD2-CD2 4.16Å; L274-L287 HydrophobicContact CG-CD2 4.29Å; L274-V290 HydrophobicContact CD2-CG1 4.19Å; L274-F291 HydrophobicContact CB-CE2 3.97Å; L274-F291 HydrophobicContact CB-CZ 4.23Å; L274-F291 HydrophobicContact CD2-CD2 4.42Å; L274-F291 HydrophobicContact CD2-CE2 3.51Å; L274-F291 HydrophobicContact CD2-CZ 4.18Å; L274-F291 HydrophobicContact CG-CE2 4.39Å; L274-M301 HydrophobicContact CD2-CE 3.89Å; L274-M301 HydrophobicContact CD2-SD 4.39Å; L274-Y306 HydrophobicContact CD1-CD2 4.02Å; L274-Y306 HydrophobicContact CD1-CE2 4.29Å; L274-L309 HydrophobicContact CD1-CD2 4.21Å; L274-L309 HydrophobicContact CD2-CD2 3.81Å; L274-L309 HydrophobicContact CG-CD2 4.44Å
275	S	96.5	Very high	95.3	Very high	41 Å²	41	51 Å²	51	29%	0.287	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-19	176.1	79.7	0	0	0	0	114.4	R271 S272 E273 G280	R271-S275 PolarHBondContact O-N 3.37Å; R271-S275 VanDerWaalsContact O-N 3.08Å; S272-S275 WeakPolarHBondContact O-CB 3.42Å; S272-S275 PolarHBondContact O-N 2.86Å; S272-S275 PolarHBondContact O-OG 3.03Å; E273-S275 PolarHBondContact O-N 2.93Å; E273-S275 VanDerWaalsContact O-N 3.12Å; S275-G280 WeakPolarHBondContact O-CA 3.3Å
276	R	95.6	Very high	95.4	Very high	91 Å²	91	40.8 Å²	40.8	34%	0.343	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-7.8	174.2	-63.7	-177.4	-64	-91.9	-8.9	113.2	L261 E263 E273 L274 N279 G280	L261-R276 HydrophobicContact CD2-CB 3.68Å; L261-R276 PolarHBondContact O-NH2 3.19Å; E263-R276 IonicContact OE1-CZ 3.81Å; E263-R276 IonicContact OE1-NE 3.82Å; E263-R276 IonicContact OE1-NH1 3.04Å; E263-R276 PolarHBondContact OE1-NH1 2.94Å; E263-R276 IonicContact OE1-NH2 3.66Å; E263-R276 PolarHBondContact OE1-NH2 3.29Å; E263-R276 VanDerWaalsContact OE1-NH2 3.15Å; E263-R276 IonicContact OE2-NH1 3.04Å; E273-R276 PolarHBondContact O-N 3.36Å; E273-R276 VanDerWaalsContact O-N 3.17Å; L274-R276 PolarHBondContact O-N 3.45Å; L274-R276 VanDerWaalsContact O-N 3.11Å; R276-N279 PolarHBondContact O-N 3.4Å; R276-G280 PolarHBondContact O-N 3.27Å
277	F	94.6	Very high	95.6	Very high	29 Å²	29	37.5 Å²	37.5	13%	0.127	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-58.4	139.2	176	-178.7	-97.8	0	0	0	110.7	L261 L274 N279 G280 L282 Y306 V310 M313	L261-F277 HydrophobicContact CD1-CB 4.3Å; L261-F277 HydrophobicContact CD1-CD2 4.23Å; L274-F277 HydrophobicContact CD1-CB 4.16Å; L274-F277 HydrophobicContact CG-CB 4.41Å; L274-F277 WeakPolarHBondContact O-CB 3.45Å; L274-F277 PolarHBondContact O-N 3.34Å; F277-N279 VanDerWaalsContact C-N 3.3Å; F277-N279 PolarHBondContact O-N 3.05Å; F277-G280 PolarHBondContact O-N 2.88Å; F277-L282 HydrophobicContact CD1-CD1 3.66Å; F277-L282 HydrophobicContact CE1-CD1 4.25Å; F277-Y306 AromaticContact CD2-CE2 3.87Å; F277-Y306 HydrophobicContact CD2-CE2 3.87Å; F277-Y306 AromaticContact CE2-CE2 3.98Å; F277-Y306 HydrophobicContact CE2-CE2 3.98Å; F277-V310 HydrophobicContact CE2-CG2 3.93Å; F277-V310 HydrophobicContact CZ-CG2 4.23Å; F277-M313 HydrophobicContact CE1-CB 4.44Å; F277-M313 HydrophobicContact CE1-CG 4.23Å
278	G	85.3	Confident	95.7	Very high	37 Å²	37	38.3 Å²	38.3	38%	0.381	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	60.1	36.1	-178.2	0	0	0	0	0	113.7	G280 T281	G278-G280 PolarHBondContact O-N 3.21Å; G278-T281 PolarHBondContact O-N 3.01Å; G278-T281 PolarHBondContact O-OG1 2.86Å; G278-T281 VanDerWaalsContact O-OG1 3.12Å
279	N	89.6	Confident	95.7	Very high	152 Å²	152	36.7 Å²	36.7	81%	0.813	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	61.9	18.7	-173.9	-51.9	-42	0	0	0	114.3	R276 F277 T281	R276-N279 PolarHBondContact O-N 3.4Å; F277-N279 VanDerWaalsContact C-N 3.3Å; F277-N279 PolarHBondContact O-N 3.05Å; N279-T281 VanDerWaalsContact C-N 3.35Å; N279-T281 PolarHBondContact O-N 3.41Å
280	G	92.5	Very high	95.7	Very high	21 Å²	21	36.7 Å²	36.7	22%	0.216	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	70.6	26.4	178.8	0	0	0	0	0	115.1	S275 R276 F277 G278 K352	S275-G280 WeakPolarHBondContact O-CA 3.3Å; R276-G280 PolarHBondContact O-N 3.27Å; F277-G280 PolarHBondContact O-N 2.88Å; G278-G280 PolarHBondContact O-N 3.21Å; G280-K352 PolarHBondContact O-NZ 3.44Å
281	T	94	Very high	95.7	Very high	27 Å²	27	36.1 Å²	36.1	17%	0.166	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-20.5	176	61.8	0	0	0	0	112.8	G278 N279 D402 L403 Q404	G278-T281 PolarHBondContact O-N 3.01Å; G278-T281 PolarHBondContact O-OG1 2.86Å; G278-T281 VanDerWaalsContact O-OG1 3.12Å; N279-T281 VanDerWaalsContact C-N 3.35Å; N279-T281 PolarHBondContact O-N 3.41Å; T281-D402 WeakPolarHBondContact CB-OD1 3.48Å; T281-D402 PolarHBondContact OG1-OD1 3Å; T281-L403 WeakPolarHBondContact O-CB 3.42Å; T281-L403 PolarHBondContact O-N 2.98Å; T281-Q404 HydrophobicContact CG2-CB 4.12Å
282	L	96.5	Very high	95.7	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.026	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-65.3	139.2	177	-60.9	-173.8	0	0	0	112.6	F277 F286 L287 M313 K352 I401 D402	F277-L282 HydrophobicContact CD1-CD1 3.66Å; F277-L282 HydrophobicContact CE1-CD1 4.25Å; L282-F286 HydrophobicContact CB-CD1 4.38Å; L282-F286 HydrophobicContact CD1-CD1 4.09Å; L282-F286 HydrophobicContact CD1-CE1 3.94Å; L282-L287 HydrophobicContact CB-CD2 4.31Å; L282-L287 HydrophobicContact CB-CG 4.33Å; L282-L287 HydrophobicContact CD1-CD2 4.1Å; L282-M313 HydrophobicContact CD1-CE 4.36Å; L282-M313 HydrophobicContact CD2-CE 3.67Å; L282-K352 VanDerWaalsContact C-CE 3.47Å; L282-K352 WeakPolarHBondContact O-CE 3.49Å; L282-K352 PolarHBondContact O-NZ 2.73Å; L282-K352 VanDerWaalsContact O-NZ 3.14Å; L282-I401 WeakPolarHBondContact CA-O 3.42Å; L282-I401 HydrophobicContact CD2-CG1 4.46Å; L282-D402 HydrophobicContact CD2-CB 3.89Å
283	T	96.6	Very high	95.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.			trans	-71.4	147.6	-178.8	64.8	0	0	0	0	112.3	V285 F286 L287 G348 I349 K352 I401	T283-V285 PolarHBondContact O-N 3.22Å; T283-F286 PolarHBondContact O-N 3.14Å; T283-F286 VanDerWaalsContact O-N 3.15Å; T283-F286 WeakPolarHBondContact OG1-CB 3.49Å; T283-F286 PolarHBondContact OG1-N 3.22Å; T283-L287 WeakPolarHBondContact O-CG 3.36Å; T283-L287 PolarHBondContact O-N 3.45Å; T283-G348 WeakPolarHBondContact CG2-O 3.39Å; T283-I349 HydrophobicContact CG2-CD1 3.37Å; T283-I349 HydrophobicContact CG2-CG1 3.83Å; T283-K352 HydrophobicContact CG2-CD 4.49Å; T283-I401 PolarHBondContact N-O 2.78Å
284	D	96.7	Very high	95.5	Very high	85 Å²	85	37.7 Å²	37.7	46%	0.455	21%	0.205	S	C	.	.	H	α-helix	trans	-59.2	-38.8	176.3	-80.9	-38.7	0	0	0	112	R271 F286 L287 D288	R271-D284 IonicContact CZ-OD1 2.72Å; R271-D284 IonicContact NE-OD1 3.37Å; R271-D284 VanDerWaalsContact NH2-CA 3.31Å; R271-D284 PolarHBondContact NH2-O 3.43Å; R271-D284 IonicContact NH2-OD1 2.72Å; R271-D284 PolarHBondContact NH2-OD1 3.49Å; D284-F286 PolarHBondContact O-N 2.95Å; D284-L287 PolarHBondContact O-N 3.14Å; D284-D288 WeakPolarHBondContact O-CB 3.25Å; D284-D288 PolarHBondContact O-N 3.42Å
285	V	97.2	Very high	95.3	Very high	22 Å²	22	42.6 Å²	42.6	13%	0.133	23%	0.231	C	C	.	.	H	α-helix	trans	-59.1	-44.4	175.6	175.7	0	0	0	0	111.8	T283 R289 Y344 F345	T283-V285 PolarHBondContact O-N 3.22Å; V285-R289 WeakPolarHBondContact O-CG 3.49Å; V285-R289 PolarHBondContact O-N 2.9Å; V285-Y344 HydrophobicContact CG1-CD1 3.63Å; V285-Y344 HydrophobicContact CG1-CD2 4.31Å; V285-Y344 HydrophobicContact CG1-CE1 3.2Å; V285-Y344 HydrophobicContact CG1-CE2 3.93Å; V285-Y344 HydrophobicContact CG1-CG 4.18Å; V285-F345 HydrophobicContact CG1-CD1 3.78Å; V285-F345 HydrophobicContact CG1-CE1 3.95Å; V285-F345 HydrophobicContact CG1-CG 4.43Å
286	F	97.8	Very high	95.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65.6	-45.9	176.3	173.8	-106.9	0	0	0	111.9	L282 T283 D284 D288 R289 V290 L309 M313 L325 I328 I401	L282-F286 HydrophobicContact CB-CD1 4.38Å; L282-F286 HydrophobicContact CD1-CD1 4.09Å; L282-F286 HydrophobicContact CD1-CE1 3.94Å; T283-F286 PolarHBondContact O-N 3.14Å; T283-F286 VanDerWaalsContact O-N 3.15Å; T283-F286 WeakPolarHBondContact OG1-CB 3.49Å; T283-F286 PolarHBondContact OG1-N 3.22Å; D284-F286 PolarHBondContact O-N 2.95Å; F286-D288 VanDerWaalsContact C-N 3.32Å; F286-D288 PolarHBondContact O-N 3.37Å; F286-R289 WeakPolarHBondContact O-CB 3.39Å; F286-R289 PolarHBondContact O-N 3.42Å; F286-R289 VanDerWaalsContact O-N 3.1Å; F286-V290 HydrophobicContact CD1-CG2 4.12Å; F286-V290 HydrophobicContact CD2-CG2 4.48Å; F286-V290 HydrophobicContact CE1-CG2 3.66Å; F286-V290 HydrophobicContact CE2-CG2 4.08Å; F286-V290 HydrophobicContact CZ-CG2 3.65Å; F286-V290 WeakPolarHBondContact O-CG2 3.48Å; F286-V290 PolarHBondContact O-N 3.47Å; F286-L309 HydrophobicContact CE1-CD1 4.44Å; F286-L309 HydrophobicContact CZ-CD1 4.28Å; F286-M313 HydrophobicContact CZ-SD 4.39Å; F286-L325 HydrophobicContact CE2-CD2 4.07Å; F286-L325 HydrophobicContact CZ-CD2 3.86Å; F286-I328 HydrophobicContact CD2-CG2 3.81Å; F286-I328 HydrophobicContact CE2-CB 4.31Å; F286-I328 HydrophobicContact CE2-CD1 4.33Å; F286-I328 HydrophobicContact CE2-CG2 3.61Å; F286-I328 HydrophobicContact CZ-CD1 4.45Å; F286-I401 HydrophobicContact CB-CB 3.99Å; F286-I401 HydrophobicContact CB-CG2 4.19Å; F286-I401 HydrophobicContact CD1-CB 4.17Å; F286-I401 HydrophobicContact CD2-CB 3.73Å; F286-I401 HydrophobicContact CD2-CD1 4.33Å; F286-I401 HydrophobicContact CD2-CG2 3.37Å; F286-I401 HydrophobicContact CE1-CD1 4.16Å; F286-I401 HydrophobicContact CE2-CB 4.22Å; F286-I401 HydrophobicContact CE2-CD1 3.94Å; F286-I401 HydrophobicContact CE2-CG2 3.86Å; F286-I401 HydrophobicContact CG-CB 3.69Å; F286-I401 HydrophobicContact CG-CG2 3.85Å; F286-I401 HydrophobicContact CZ-CD1 3.85Å
287	L	97.9	Very high	95.3	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-62.2	-39.8	179.7	-66	171.5	0	0	0	112	L274 L282 T283 D284 R289 V290 F291	L274-L287 HydrophobicContact CD2-CD2 4.16Å; L274-L287 HydrophobicContact CG-CD2 4.29Å; L282-L287 HydrophobicContact CB-CD2 4.31Å; L282-L287 HydrophobicContact CB-CG 4.33Å; L282-L287 HydrophobicContact CD1-CD2 4.1Å; T283-L287 WeakPolarHBondContact O-CG 3.36Å; T283-L287 PolarHBondContact O-N 3.45Å; D284-L287 PolarHBondContact O-N 3.14Å; L287-R289 VanDerWaalsContact C-N 3.28Å; L287-R289 PolarHBondContact O-N 3.11Å; L287-V290 WeakPolarHBondContact O-CB 3.27Å; L287-V290 PolarHBondContact O-N 3.44Å; L287-F291 WeakPolarHBondContact O-CD2 3.4Å; L287-F291 PolarHBondContact O-N 3.2Å; L287-F291 VanDerWaalsContact O-N 3.14Å
288	D	97.3	Very high	95.3	Very high	54 Å²	54	52.1 Å²	52.1	29%	0.289	27%	0.274	S	S	.	.	H	α-helix	trans	-60	-40.8	174	-79.8	-41.6	0	0	0	111.8	R271 D284 F286 F291 Q292	R271-D288 IonicContact CZ-OD1 2.78Å; R271-D288 IonicContact CZ-OD2 2.78Å; R271-D288 IonicContact NH1-OD1 3.81Å; R271-D288 PolarHBondContact NH1-OD1 3.47Å; R271-D288 IonicContact NH1-OD2 3.07Å; R271-D288 PolarHBondContact NH1-OD2 2.88Å; R271-D288 VanDerWaalsContact NH1-OD2 3.07Å; R271-D288 IonicContact NH2-OD1 2.8Å; R271-D288 IonicContact NH2-OD2 3.94Å; R271-D288 PolarHBondContact NH2-OD2 3.31Å; D284-D288 WeakPolarHBondContact O-CB 3.25Å; D284-D288 PolarHBondContact O-N 3.42Å; F286-D288 VanDerWaalsContact C-N 3.32Å; F286-D288 PolarHBondContact O-N 3.37Å; D288-F291 PolarHBondContact O-N 2.9Å; D288-Q292 WeakPolarHBondContact O-CG 3.36Å; D288-Q292 PolarHBondContact O-N 3.28Å; D288-Q292 VanDerWaalsContact O-N 3.14Å
289	R	97.6	Very high	95.7	Very high	9 Å²	9	52.4 Å²	52.4	3%	0.034	28%	0.277	C	S	.	.	H	α-helix	trans	-68.4	-35.9	175.7	-69.5	-65.4	-58	138.7	-1.3	112.7	V285 F286 L287 F291 Q292 E293 I328 Y344 F345	V285-R289 WeakPolarHBondContact O-CG 3.49Å; V285-R289 PolarHBondContact O-N 2.9Å; F286-R289 WeakPolarHBondContact O-CB 3.39Å; F286-R289 PolarHBondContact O-N 3.42Å; F286-R289 VanDerWaalsContact O-N 3.1Å; L287-R289 VanDerWaalsContact C-N 3.28Å; L287-R289 PolarHBondContact O-N 3.11Å; R289-F291 VanDerWaalsContact C-N 3.35Å; R289-F291 PolarHBondContact O-N 3.18Å; R289-Q292 PolarHBondContact O-N 3.26Å; R289-E293 IonicContact CZ-OE1 3.3Å; R289-E293 IonicContact NH1-OE1 3.09Å; R289-E293 PolarHBondContact NH1-OE1 3.05Å; R289-E293 IonicContact NH2-OE1 3.81Å; R289-E293 PolarHBondContact NH2-OE1 3.18Å; R289-E293 WeakPolarHBondContact O-CB 3.49Å; R289-E293 WeakPolarHBondContact O-CG 3.36Å; R289-E293 PolarHBondContact O-N 3.23Å; R289-I328 HydrophobicContact CB-CG2 3.54Å; R289-I328 PolarHBondContact NE-O 3.21Å; R289-I328 PolarHBondContact NH2-O 3.4Å; R289-Y344 HydrophobicContact CG-CE1 4.29Å; R289-F345 HydrophobicContact CG-CE1 4.1Å; R289-F345 HydrophobicContact CG-CZ 3.92Å
290	V	97.8	Very high	96.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-57.1	-48.4	173.2	170.2	0	0	0	0	110.5	L274 F286 L287 Q292 E293 C294 M301 L309 I328	L274-V290 HydrophobicContact CD2-CG1 4.19Å; F286-V290 HydrophobicContact CD1-CG2 4.12Å; F286-V290 HydrophobicContact CD2-CG2 4.48Å; F286-V290 HydrophobicContact CE1-CG2 3.66Å; F286-V290 HydrophobicContact CE2-CG2 4.08Å; F286-V290 HydrophobicContact CZ-CG2 3.65Å; F286-V290 WeakPolarHBondContact O-CG2 3.48Å; F286-V290 PolarHBondContact O-N 3.47Å; L287-V290 WeakPolarHBondContact O-CB 3.27Å; L287-V290 PolarHBondContact O-N 3.44Å; V290-Q292 VanDerWaalsContact C-N 3.28Å; V290-Q292 PolarHBondContact O-N 2.74Å; V290-E293 PolarHBondContact O-N 3Å; V290-C294 WeakPolarHBondContact O-CB 3.34Å; V290-C294 PolarHBondContact O-N 3.21Å; V290-C294 PolarHBondContact O-SG 3.01Å; V290-M301 HydrophobicContact CG1-CE 3.42Å; V290-M301 VanDerWaalsContact CG1-CE 3.42Å; V290-L309 HydrophobicContact CG1-CD2 4.38Å; V290-L309 HydrophobicContact CG2-CD1 4.35Å; V290-I328 HydrophobicContact CG2-CD1 4.04Å; V290-I328 HydrophobicContact CG2-CG2 4.17Å
291	F	97.7	Very high	96.3	Very high	27 Å²	27	46.2 Å²	46.2	12%	0.118	24%	0.237	C	C	.	.	H	α-helix	trans	-72.6	-18.9	-179.8	-82.9	-98.8	0	0	0	114.1	L269 R271 L274 L287 D288 R289 T296 G299 M301	L269-F291 WeakPolarHBondContact O-CE1 3.46Å; L269-F291 WeakPolarHBondContact O-CZ 3.41Å; R271-F291 VanDerWaalsContact CA-CE2 3.43Å; R271-F291 VanDerWaalsContact CA-CZ 3.47Å; R271-F291 HydrophobicContact CB-CD1 4.44Å; R271-F291 HydrophobicContact CB-CD2 3.96Å; R271-F291 HydrophobicContact CB-CE1 4.42Å; R271-F291 HydrophobicContact CB-CE2 3.92Å; R271-F291 HydrophobicContact CB-CG 4.24Å; R271-F291 HydrophobicContact CB-CZ 4.18Å; R271-F291 HydrophobicContact CG-CD2 4.28Å; R271-F291 HydrophobicContact CG-CE2 4.44Å; R271-F291 VanDerWaalsContact N-CZ 3.27Å; L274-F291 HydrophobicContact CB-CE2 3.97Å; L274-F291 HydrophobicContact CB-CZ 4.23Å; L274-F291 HydrophobicContact CD2-CD2 4.42Å; L274-F291 HydrophobicContact CD2-CE2 3.51Å; L274-F291 HydrophobicContact CD2-CZ 4.18Å; L274-F291 HydrophobicContact CG-CE2 4.39Å; L287-F291 WeakPolarHBondContact O-CD2 3.4Å; L287-F291 PolarHBondContact O-N 3.2Å; L287-F291 VanDerWaalsContact O-N 3.14Å; D288-F291 PolarHBondContact O-N 2.9Å; R289-F291 VanDerWaalsContact C-N 3.35Å; R289-F291 PolarHBondContact O-N 3.18Å; F291-T296 HydrophobicContact CD1-CG2 3.71Å; F291-T296 HydrophobicContact CE1-CG2 4.3Å; F291-T296 HydrophobicContact CG-CG2 4.42Å; F291-G299 WeakPolarHBondContact CD1-O 3.2Å; F291-G299 VanDerWaalsContact CE1-O 3.27Å; F291-G299 WeakPolarHBondContact CE1-O 3.13Å; F291-M301 HydrophobicContact CE1-CB 4.03Å; F291-M301 HydrophobicContact CE2-CE 4.27Å; F291-M301 HydrophobicContact CZ-CB 4.08Å; F291-M301 HydrophobicContact CZ-CE 4.34Å
292	Q	95.9	Very high	96.5	Very high	116 Å²	116	46.3 Å²	46.3	54%	0.542	24%	0.237	S	C	.	.	H	α-helix	trans	-82.8	-35.8	173.9	-71.1	166.5	21.8	0	0	113	D288 R289 V290	D288-Q292 WeakPolarHBondContact O-CG 3.36Å; D288-Q292 PolarHBondContact O-N 3.28Å; D288-Q292 VanDerWaalsContact O-N 3.14Å; R289-Q292 PolarHBondContact O-N 3.26Å; V290-Q292 VanDerWaalsContact C-N 3.28Å; V290-Q292 PolarHBondContact O-N 2.74Å
293	E	95.5	Very high	96.5	Very high	64 Å²	64	47 Å²	47	30%	0.299	24%	0.239	S	C	.	.	H	α-helix	trans	-98.2	-25.6	-174	-67.5	-57.6	140	0	0	114.2	R289 V290 I328	R289-E293 IonicContact CZ-OE1 3.3Å; R289-E293 IonicContact NH1-OE1 3.09Å; R289-E293 PolarHBondContact NH1-OE1 3.05Å; R289-E293 IonicContact NH2-OE1 3.81Å; R289-E293 PolarHBondContact NH2-OE1 3.18Å; R289-E293 WeakPolarHBondContact O-CB 3.49Å; R289-E293 WeakPolarHBondContact O-CG 3.36Å; R289-E293 PolarHBondContact O-N 3.23Å; V290-E293 PolarHBondContact O-N 3Å; E293-I328 HydrophobicContact CB-CG1 4.27Å
294	C	95.5	Very high	96.5	Very high	10 Å²	10	50.4 Å²	50.4	7%	0.068	25%	0.254	C	S	.	.	S	Bend	trans	-91.1	159.3	179.4	-62.1	0	0	0	0	111.5	V290 T296 T305 Y324	V290-C294 WeakPolarHBondContact O-CB 3.34Å; V290-C294 PolarHBondContact O-N 3.21Å; V290-C294 PolarHBondContact O-SG 3.01Å; C294-T296 PolarHBondContact O-N 2.65Å; C294-T305 HydrophobicContact CB-CG2 3.56Å; C294-Y324 PolarHBondContact SG-OH 3.43Å
295	L	94.3	Very high	96.5	Very high	103 Å²	103	46.8 Å²	46.8	54%	0.539	24%	0.235	S	C	.	.			trans	-66.2	126.4	178.8	-175.8	65.6	0	0	0	109.4	Y297	L295-Y297 HydrophobicContact CD2-CE2 4.3Å; L295-Y297 HydrophobicContact CG-CE2 4.37Å
296	T	95.9	Very high	96.5	Very high	44 Å²	44	45.9 Å²	45.9	27%	0.27	23%	0.229	S	C	.	.			trans	-132.4	150.7	176.1	57.2	0	0	0	0	110.2	F291 C294 E300	F291-T296 HydrophobicContact CD1-CG2 3.71Å; F291-T296 HydrophobicContact CE1-CG2 4.3Å; F291-T296 HydrophobicContact CG-CG2 4.42Å; C294-T296 PolarHBondContact O-N 2.65Å; T296-E300 CarbonylContact C-O 3.59Å; T296-E300 WeakPolarHBondContact CA-O 3.41Å; T296-E300 WeakPolarHBondContact CB-O 3.35Å
297	Y	95.4	Very high	96.5	Very high	114 Å²	114	45.9 Å²	45.9	45%	0.447	23%	0.229	S	C	.	.	B	Isolated β-bridge	trans	-113.8	112.3	174.9	-59.3	-85.5	0	0	0	107.3	L268 L295 G299 E300 D302	L268-Y297 HydrophobicContact CD2-CD2 4.48Å; L295-Y297 HydrophobicContact CD2-CE2 4.3Å; L295-Y297 HydrophobicContact CG-CE2 4.37Å; Y297-G299 PolarHBondContact O-N 3.01Å; Y297-E300 PolarHBondContact N-O 3.35Å; Y297-E300 PolarHBondContact O-N 3.3Å; Y297-D302 HydrophobicContact CD2-CB 4.36Å; Y297-D302 HydrophobicContact CE2-CB 4.06Å
298	E	93.6	Very high	96.5	Very high	204 Å²	204	46.2 Å²	46.2	95%	0.953	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	27.3	-176.4	-55.4	-170.6	168	0	0	114
299	G	95.1	Very high	96.5	Very high	42 Å²	42	43.7 Å²	43.7	43%	0.433	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.9	4.7	-178.2	0	0	0	0	0	114.7	F291 Y297	F291-G299 WeakPolarHBondContact CD1-O 3.2Å; F291-G299 VanDerWaalsContact CE1-O 3.27Å; F291-G299 WeakPolarHBondContact CE1-O 3.13Å; Y297-G299 PolarHBondContact O-N 3.01Å
300	E	97.4	Very high	96.5	Very high	43 Å²	43	43.5 Å²	43.5	20%	0.201	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-112.8	146.7	179.2	-51.9	-176.2	130.7	0	0	111.7	L268 L269 T270 T296 Y297	L268-E300 HydrophobicContact CB-CB 3.67Å; L268-E300 HydrophobicContact CD1-CB 4.11Å; L268-E300 WeakPolarHBondContact CD1-OE2 3.45Å; L268-E300 HydrophobicContact CG-CB 4.45Å; L269-E300 CarbonylContact O-C 3.53Å; L269-E300 WeakPolarHBondContact O-CA 3.15Å; T270-E300 HydrophobicContact CG2-CG 4.04Å; T270-E300 WeakPolarHBondContact CG2-OE1 3.33Å; T296-E300 CarbonylContact C-O 3.59Å; T296-E300 WeakPolarHBondContact CA-O 3.41Å; T296-E300 WeakPolarHBondContact CB-O 3.35Å; Y297-E300 PolarHBondContact N-O 3.35Å; Y297-E300 PolarHBondContact O-N 3.3Å
301	M	97.7	Very high	96.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	133.4	-175	-179.1	-174	-67.3	0	0	111	L268 L269 L274 V290 F291 T305 Y306	L268-M301 CarbonylContact C-O 3.54Å; L268-M301 VanDerWaalsContact CA-O 3.3Å; L268-M301 WeakPolarHBondContact CA-O 3.38Å; L269-M301 HydrophobicContact CB-CB 4.39Å; L269-M301 PolarHBondContact N-O 3.32Å; L269-M301 PolarHBondContact O-N 2.75Å; L274-M301 HydrophobicContact CD2-CE 3.89Å; L274-M301 HydrophobicContact CD2-SD 4.39Å; V290-M301 HydrophobicContact CG1-CE 3.42Å; V290-M301 VanDerWaalsContact CG1-CE 3.42Å; F291-M301 HydrophobicContact CE1-CB 4.03Å; F291-M301 HydrophobicContact CE2-CE 4.27Å; F291-M301 HydrophobicContact CZ-CB 4.08Å; F291-M301 HydrophobicContact CZ-CE 4.34Å; M301-T305 HydrophobicContact CE-CG2 4.05Å; M301-T305 HydrophobicContact CG-CG2 3.63Å; M301-T305 HydrophobicContact SD-CG2 3.95Å; M301-Y306 VanDerWaalsContact SD-CA 3.59Å; M301-Y306 PolarHBondContact SD-N 3.42Å
302	D	96.9	Very high	96.5	Very high	30 Å²	30	42.2 Å²	42.2	16%	0.16	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	166.8	174.3	71.6	-7.2	0	0	0	113.2	L268 Y297 K304 T305 Y306	L268-D302 HydrophobicContact CD2-CB 3.85Å; Y297-D302 HydrophobicContact CD2-CB 4.36Å; Y297-D302 HydrophobicContact CE2-CB 4.06Å; D302-K304 PolarHBondContact O-N 3.47Å; D302-T305 PolarHBondContact O-N 3.17Å; D302-T305 WeakPolarHBondContact OD1-CB 3.33Å; D302-T305 PolarHBondContact OD1-N 2.88Å; D302-T305 PolarHBondContact OD1-OG1 3.17Å; D302-Y306 PolarHBondContact O-N 3.09Å
303	Y	96.8	Very high	96.6	Very high	18 Å²	18	37.5 Å²	37.5	7%	0.071	19%	0.19	C	C	.	.	H	α-helix	trans	-55.9	-36.4	179	-178.2	-120.9	0	0	0	113	F193 T197 Y255 Y258 Y306 L307	F193-Y303 HydrophobicContact CD1-CD1 4.07Å; F193-Y303 HydrophobicContact CD1-CE1 4.16Å; T197-Y303 PolarHBondContact OG1-OH 3.36Å; Y255-Y303 HydrophobicContact CD2-CD2 4.28Å; Y255-Y303 HydrophobicContact CD2-CE1 4.33Å; Y255-Y303 AromaticContact CD2-CE2 3.79Å; Y255-Y303 HydrophobicContact CD2-CE2 3.79Å; Y255-Y303 AromaticContact CD2-CZ 3.81Å; Y258-Y303 AromaticContact CD1-CD2 3.88Å; Y258-Y303 HydrophobicContact CD1-CD2 3.88Å; Y258-Y303 AromaticContact CD2-CD2 3.64Å; Y258-Y303 HydrophobicContact CD2-CD2 3.64Å; Y258-Y303 HydrophobicContact CD2-CE2 4.39Å; Y258-Y303 HydrophobicContact CE1-CD2 4.26Å; Y258-Y303 AromaticContact CE2-CD2 4Å; Y258-Y303 HydrophobicContact CE2-CD2 4Å; Y258-Y303 AromaticContact CG-CD2 3.55Å; Y258-Y303 HydrophobicContact CG-CD2 3.55Å; Y258-Y303 HydrophobicContact CG-CE2 4.07Å; Y258-Y303 PolarHBondContact OH-N 2.95Å; Y303-Y306 AromaticContact CD2-CD1 4Å; Y303-Y306 HydrophobicContact CD2-CD1 4Å; Y303-Y306 HydrophobicContact CE2-CD1 4.04Å; Y303-Y306 HydrophobicContact CE2-CE1 4.36Å; Y303-Y306 WeakPolarHBondContact O-CB 3.45Å; Y303-Y306 PolarHBondContact O-N 3.47Å; Y303-L307 HydrophobicContact CD1-CD1 3.96Å; Y303-L307 HydrophobicContact CD1-CG 4.38Å; Y303-L307 HydrophobicContact CE1-CD1 3.57Å; Y303-L307 HydrophobicContact CE1-CD2 4.36Å; Y303-L307 HydrophobicContact CE1-CG 4.01Å; Y303-L307 HydrophobicContact CE2-CD2 4.19Å; Y303-L307 HydrophobicContact CE2-CG 4.14Å; Y303-L307 WeakPolarHBondContact O-CG 3.27Å; Y303-L307 PolarHBondContact O-N 3.32Å
304	K	96.2	Very high	96.6	Very high	72 Å²	72	38.7 Å²	38.7	31%	0.313	20%	0.195	S	C	.	.	H	α-helix	trans	-67.3	-41.5	-179.2	-173.5	177.1	179.2	173.7	0	112.1	E166 D302 L307 D308	E166-K304 WeakPolarHBondContact OE1-CE 3.1Å; E166-K304 IonicContact OE1-NZ 2.73Å; E166-K304 PolarHBondContact OE1-NZ 2.89Å; E166-K304 IonicContact OE2-NZ 2.67Å; E166-K304 PolarHBondContact OE2-NZ 2.86Å; D302-K304 PolarHBondContact O-N 3.47Å; K304-L307 WeakPolarHBondContact O-CB 3.17Å; K304-L307 PolarHBondContact O-N 3.47Å; K304-D308 PolarHBondContact O-N 3.38Å
305	T	96.8	Very high	96.7	Very high	10 Å²	10	39.6 Å²	39.6	6%	0.061	20%	0.199	C	C	.	.	H	α-helix	trans	-70.6	-36.4	175.8	-56.5	0	0	0	0	111	C294 M301 D302 L307 D308 L309	C294-T305 HydrophobicContact CB-CG2 3.56Å; M301-T305 HydrophobicContact CE-CG2 4.05Å; M301-T305 HydrophobicContact CG-CG2 3.63Å; M301-T305 HydrophobicContact SD-CG2 3.95Å; D302-T305 PolarHBondContact O-N 3.17Å; D302-T305 WeakPolarHBondContact OD1-CB 3.33Å; D302-T305 PolarHBondContact OD1-N 2.88Å; D302-T305 PolarHBondContact OD1-OG1 3.17Å; T305-L307 VanDerWaalsContact C-N 3.33Å; T305-L307 PolarHBondContact O-N 3.33Å; T305-D308 WeakPolarHBondContact O-CB 3.3Å; T305-D308 PolarHBondContact O-N 3.18Å; T305-L309 PolarHBondContact O-N 3.25Å
306	Y	98	Very high	96.8	Very high	3 Å²	3	36.3 Å²	36.3	1%	0.012	18%	0.181	C	C	.	.	H	α-helix	trans	-59.4	-42.7	170.4	169.2	-98.8	0	0	0	112	V254 S257 Y258 L261 L269 L274 F277 M301 D302 Y303 D308 L309 V310	V254-Y306 HydrophobicContact CG1-CE1 4.02Å; S257-Y306 WeakPolarHBondContact CB-OH 3.37Å; S257-Y306 PolarHBondContact OG-OH 3.31Å; Y258-Y306 AromaticContact CD2-CD1 3.55Å; Y258-Y306 HydrophobicContact CD2-CD1 3.55Å; Y258-Y306 HydrophobicContact CD2-CD2 4.18Å; Y258-Y306 HydrophobicContact CD2-CE1 4.03Å; Y258-Y306 AromaticContact CD2-CG 3.62Å; Y258-Y306 HydrophobicContact CD2-CG 3.62Å; Y258-Y306 HydrophobicContact CE2-CD1 4.37Å; Y258-Y306 HydrophobicContact CE2-CG 4.15Å; Y258-Y306 HydrophobicContact CG-CD1 4.28Å; Y258-Y306 HydrophobicContact CG-CE1 4.44Å; L261-Y306 HydrophobicContact CD1-CE2 3.87Å; L269-Y306 HydrophobicContact CD1-CD2 3.83Å; L269-Y306 HydrophobicContact CD1-CE2 4.39Å; L269-Y306 HydrophobicContact CD1-CG 4.31Å; L274-Y306 HydrophobicContact CD1-CD2 4.02Å; L274-Y306 HydrophobicContact CD1-CE2 4.29Å; F277-Y306 AromaticContact CD2-CE2 3.87Å; F277-Y306 HydrophobicContact CD2-CE2 3.87Å; F277-Y306 AromaticContact CE2-CE2 3.98Å; F277-Y306 HydrophobicContact CE2-CE2 3.98Å; M301-Y306 VanDerWaalsContact SD-CA 3.59Å; M301-Y306 PolarHBondContact SD-N 3.42Å; D302-Y306 PolarHBondContact O-N 3.09Å; Y303-Y306 AromaticContact CD2-CD1 4Å; Y303-Y306 HydrophobicContact CD2-CD1 4Å; Y303-Y306 HydrophobicContact CE2-CD1 4.04Å; Y303-Y306 HydrophobicContact CE2-CE1 4.36Å; Y303-Y306 WeakPolarHBondContact O-CB 3.45Å; Y303-Y306 PolarHBondContact O-N 3.47Å; Y306-D308 PolarHBondContact O-N 3.06Å; Y306-L309 WeakPolarHBondContact O-CB 3.19Å; Y306-L309 PolarHBondContact O-N 3.19Å; Y306-L309 VanDerWaalsContact O-N 3.11Å; Y306-V310 HydrophobicContact CD1-CG2 4.07Å; Y306-V310 HydrophobicContact CD2-CG2 4.32Å; Y306-V310 HydrophobicContact CE1-CG2 3.57Å; Y306-V310 HydrophobicContact CE2-CG2 3.83Å; Y306-V310 HydrophobicContact CG-CG2 4.43Å; Y306-V310 VanDerWaalsContact CZ-CG2 3.43Å; Y306-V310 WeakPolarHBondContact O-CG2 3.34Å; Y306-V310 PolarHBondContact O-N 2.79Å
307	L	98	Very high	96.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.9	-41	175.8	-75.5	173.1	0	0	0	112.8	T197 R200 V254 Y303 K304 T305 L309 V310 L311	T197-L307 HydrophobicContact CG2-CD2 3.99Å; R200-L307 HydrophobicContact CB-CB 4.36Å; R200-L307 HydrophobicContact CB-CD1 4.02Å; R200-L307 HydrophobicContact CG-CB 3.76Å; R200-L307 HydrophobicContact CG-CD1 4.2Å; V254-L307 HydrophobicContact CG1-CD2 3.5Å; V254-L307 VanDerWaalsContact CG1-CD2 3.5Å; Y303-L307 HydrophobicContact CD1-CD1 3.96Å; Y303-L307 HydrophobicContact CD1-CG 4.38Å; Y303-L307 HydrophobicContact CE1-CD1 3.57Å; Y303-L307 HydrophobicContact CE1-CD2 4.36Å; Y303-L307 HydrophobicContact CE1-CG 4.01Å; Y303-L307 HydrophobicContact CE2-CD2 4.19Å; Y303-L307 HydrophobicContact CE2-CG 4.14Å; Y303-L307 WeakPolarHBondContact O-CG 3.27Å; Y303-L307 PolarHBondContact O-N 3.32Å; K304-L307 WeakPolarHBondContact O-CB 3.17Å; K304-L307 PolarHBondContact O-N 3.47Å; T305-L307 VanDerWaalsContact C-N 3.33Å; T305-L307 PolarHBondContact O-N 3.33Å; L307-L309 VanDerWaalsContact C-N 3.27Å; L307-L309 PolarHBondContact O-N 2.78Å; L307-V310 PolarHBondContact O-N 3.01Å; L307-L311 WeakPolarHBondContact O-CB 3.47Å; L307-L311 VanDerWaalsContact O-CG 3.24Å; L307-L311 WeakPolarHBondContact O-CG 3.37Å; L307-L311 PolarHBondContact O-N 3.36Å
308	D	97.5	Very high	96.9	Very high	8 Å²	8	38 Å²	38	4%	0.043	19%	0.19	C	C	.	.	H	α-helix	trans	-57.5	-42.8	173.5	-88.2	2.7	0	0	0	110.7	R200 F204 R210 K304 T305 Y306 A312 Y324	R200-D308 WeakPolarHBondContact CD-OD1 3.43Å; R200-D308 IonicContact CZ-OD1 3.55Å; R200-D308 IonicContact NE-OD1 2.69Å; R200-D308 PolarHBondContact NE-OD1 2.93Å; R200-D308 IonicContact NH2-OD1 2.82Å; F204-D308 HydrophobicContact CD2-CB 4.16Å; F204-D308 WeakPolarHBondContact CD2-OD1 3.41Å; F204-D308 HydrophobicContact CE2-CB 4.24Å; F204-D308 VanDerWaalsContact CE2-O 3.24Å; F204-D308 WeakPolarHBondContact CE2-O 3.49Å; R210-D308 IonicContact CZ-OD2 3.51Å; R210-D308 IonicContact NH1-OD2 3.4Å; R210-D308 PolarHBondContact NH1-OD2 2.99Å; R210-D308 IonicContact NH2-OD2 2.68Å; R210-D308 PolarHBondContact NH2-OD2 2.78Å; K304-D308 PolarHBondContact O-N 3.38Å; T305-D308 WeakPolarHBondContact O-CB 3.3Å; T305-D308 PolarHBondContact O-N 3.18Å; Y306-D308 PolarHBondContact O-N 3.06Å; D308-A312 WeakPolarHBondContact O-CB 3.37Å; D308-A312 PolarHBondContact O-N 2.67Å; D308-Y324 HydrophobicContact CB-CE2 3.97Å
309	L	97.6	Very high	97	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.2	-46.9	176.5	-179.8	64.9	0	0	0	112	L274 F286 V290 T305 Y306 L307 L311 A312 M313 Y324	L274-L309 HydrophobicContact CD1-CD2 4.21Å; L274-L309 HydrophobicContact CD2-CD2 3.81Å; L274-L309 HydrophobicContact CG-CD2 4.44Å; F286-L309 HydrophobicContact CE1-CD1 4.44Å; F286-L309 HydrophobicContact CZ-CD1 4.28Å; V290-L309 HydrophobicContact CG1-CD2 4.38Å; V290-L309 HydrophobicContact CG2-CD1 4.35Å; T305-L309 PolarHBondContact O-N 3.25Å; Y306-L309 WeakPolarHBondContact O-CB 3.19Å; Y306-L309 PolarHBondContact O-N 3.19Å; Y306-L309 VanDerWaalsContact O-N 3.11Å; L307-L309 VanDerWaalsContact C-N 3.27Å; L307-L309 PolarHBondContact O-N 2.78Å; L309-L311 PolarHBondContact O-N 2.98Å; L309-A312 PolarHBondContact O-N 3.14Å; L309-M313 HydrophobicContact CD1-CG 3.92Å; L309-M313 HydrophobicContact CG-CG 4.25Å; L309-M313 WeakPolarHBondContact O-CB 3.24Å; L309-M313 WeakPolarHBondContact O-CG 3.31Å; L309-M313 PolarHBondContact O-N 3.46Å; L309-Y324 HydrophobicContact CD1-CE1 4.25Å
310	V	97.8	Very high	97.1	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.03	15%	0.153	C	C	.	.	H	α-helix	trans	-59.2	-47.3	177.8	173.3	0	0	0	0	110.8	W245 V254 F277 Y306 L307 A312 M313 E314	W245-V310 HydrophobicContact CH2-CG1 4.01Å; W245-V310 HydrophobicContact CZ3-CG1 4.39Å; V254-V310 HydrophobicContact CG1-CG1 4.3Å; V254-V310 HydrophobicContact CG1-CG2 4.47Å; V254-V310 HydrophobicContact CG2-CG1 4.37Å; F277-V310 HydrophobicContact CE2-CG2 3.93Å; F277-V310 HydrophobicContact CZ-CG2 4.23Å; Y306-V310 HydrophobicContact CD1-CG2 4.07Å; Y306-V310 HydrophobicContact CD2-CG2 4.32Å; Y306-V310 HydrophobicContact CE1-CG2 3.57Å; Y306-V310 HydrophobicContact CE2-CG2 3.83Å; Y306-V310 HydrophobicContact CG-CG2 4.43Å; Y306-V310 VanDerWaalsContact CZ-CG2 3.43Å; Y306-V310 WeakPolarHBondContact O-CG2 3.34Å; Y306-V310 PolarHBondContact O-N 2.79Å; L307-V310 PolarHBondContact O-N 3.01Å; V310-A312 VanDerWaalsContact C-N 3.32Å; V310-A312 PolarHBondContact O-N 3.27Å; V310-M313 PolarHBondContact O-N 3.39Å; V310-E314 HydrophobicContact CG1-CG 4.25Å; V310-E314 WeakPolarHBondContact O-CB 3.44Å; V310-E314 PolarHBondContact O-N 3.39Å
311	L	98	Very high	97.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.2	-42.4	178.5	-73.2	168.2	0	0	0	111.5	R200 K201 F204 F205 W245 L307 L309 N315	R200-L311 HydrophobicContact CB-CD1 4.4Å; R200-L311 HydrophobicContact CG-CD1 4.01Å; K201-L311 HydrophobicContact CB-CD2 4.32Å; K201-L311 HydrophobicContact CG-CD2 4.36Å; F204-L311 HydrophobicContact CB-CD1 3.71Å; F204-L311 HydrophobicContact CD1-CB 3.97Å; F204-L311 HydrophobicContact CD2-CB 4.16Å; F204-L311 HydrophobicContact CD2-CD1 4.33Å; F204-L311 HydrophobicContact CE1-CB 4.15Å; F204-L311 HydrophobicContact CE2-CB 4.32Å; F204-L311 HydrophobicContact CG-CB 3.99Å; F204-L311 HydrophobicContact CG-CD1 3.94Å; F204-L311 HydrophobicContact CZ-CB 4.33Å; F205-L311 HydrophobicContact CE2-CD2 4.2Å; W245-L311 HydrophobicContact CD2-CD2 4.32Å; W245-L311 HydrophobicContact CH2-CD2 3.74Å; W245-L311 HydrophobicContact CH2-CG 4.25Å; W245-L311 HydrophobicContact CZ2-CD2 3.51Å; W245-L311 HydrophobicContact CZ2-CG 4.09Å; W245-L311 HydrophobicContact CZ3-CD2 4.25Å; L307-L311 WeakPolarHBondContact O-CB 3.47Å; L307-L311 VanDerWaalsContact O-CG 3.24Å; L307-L311 WeakPolarHBondContact O-CG 3.37Å; L307-L311 PolarHBondContact O-N 3.36Å; L309-L311 PolarHBondContact O-N 2.98Å; L311-N315 WeakPolarHBondContact O-CB 3.32Å; L311-N315 PolarHBondContact O-N 3.31Å; L311-N315 PolarHBondContact O-ND2 3.02Å
312	A	97.8	Very high	97.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.5	-46	175.4	0	0	0	0	0	112	F204 D308 L309 V310 N315 K316 A321 Y324 L325	F204-A312 HydrophobicContact CE2-CB 4.24Å; F204-A312 HydrophobicContact CZ-CB 3.71Å; D308-A312 WeakPolarHBondContact O-CB 3.37Å; D308-A312 PolarHBondContact O-N 2.67Å; L309-A312 PolarHBondContact O-N 3.14Å; V310-A312 VanDerWaalsContact C-N 3.32Å; V310-A312 PolarHBondContact O-N 3.27Å; A312-N315 PolarHBondContact O-N 2.99Å; A312-K316 VanDerWaalsContact O-CG 3.25Å; A312-K316 WeakPolarHBondContact O-CG 3.32Å; A312-K316 PolarHBondContact O-N 3.3Å; A312-A321 HydrophobicContact CB-CB 4.45Å; A312-Y324 HydrophobicContact CB-CD1 3.3Å; A312-Y324 HydrophobicContact CB-CE1 3.76Å; A312-Y324 HydrophobicContact CB-CG 4.02Å; A312-L325 HydrophobicContact CB-CD1 4.3Å; A312-L325 HydrophobicContact CB-CD2 4.32Å; A312-L325 HydrophobicContact CB-CG 4.15Å
313	M	97	Very high	97.2	Very high	18 Å²	18	30 Å²	30	9%	0.089	15%	0.151	C	C	.	.	H	α-helix	trans	-71.2	-34.7	-175.2	-68.9	-60.2	-71.9	0	0	113	F277 L282 F286 L309 V310 K316 L325 I401	F277-M313 HydrophobicContact CE1-CB 4.44Å; F277-M313 HydrophobicContact CE1-CG 4.23Å; L282-M313 HydrophobicContact CD1-CE 4.36Å; L282-M313 HydrophobicContact CD2-CE 3.67Å; F286-M313 HydrophobicContact CZ-SD 4.39Å; L309-M313 HydrophobicContact CD1-CG 3.92Å; L309-M313 HydrophobicContact CG-CG 4.25Å; L309-M313 WeakPolarHBondContact O-CB 3.24Å; L309-M313 WeakPolarHBondContact O-CG 3.31Å; L309-M313 PolarHBondContact O-N 3.46Å; V310-M313 PolarHBondContact O-N 3.39Å; M313-K316 WeakPolarHBondContact O-CE 3.34Å; M313-K316 PolarHBondContact O-NZ 2.91Å; M313-L325 HydrophobicContact SD-CD1 4.48Å; M313-L325 HydrophobicContact SD-CD2 4.01Å; M313-I401 HydrophobicContact CE-CD1 3.8Å; M313-I401 HydrophobicContact SD-CD1 3.77Å
314	E	95.7	Very high	97.2	Very high	88 Å²	88	29.8 Å²	29.8	41%	0.411	15%	0.15	S	C	.	.	H	α-helix	trans	-77.5	-22.9	176.4	-69.8	-170.1	179.6	0	0	112.7	W245 R253 V310	W245-E314 WeakPolarHBondContact CZ3-OE2 3.35Å; R253-E314 IonicContact CZ-OE1 3.62Å; R253-E314 IonicContact NH2-OE1 3.36Å; R253-E314 PolarHBondContact NH2-OE1 2.97Å; R253-E314 IonicContact NH2-OE2 2.73Å; R253-E314 PolarHBondContact NH2-OE2 2.83Å; V310-E314 HydrophobicContact CG1-CG 4.25Å; V310-E314 WeakPolarHBondContact O-CB 3.44Å; V310-E314 PolarHBondContact O-N 3.39Å
315	N	97.1	Very high	97.3	Very high	29 Å²	29	26.3 Å²	26.3	16%	0.155	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	36.7	-172.1	-54.9	-88.6	0	0	0	113.2	F205 L311 A312 H317 E318 A321	F205-N315 HydrophobicContact CE1-CB 4.17Å; F205-N315 HydrophobicContact CZ-CB 3.74Å; L311-N315 WeakPolarHBondContact O-CB 3.32Å; L311-N315 PolarHBondContact O-N 3.31Å; L311-N315 PolarHBondContact O-ND2 3.02Å; A312-N315 PolarHBondContact O-N 2.99Å; N315-H317 PolarHBondContact O-N 3.32Å; N315-E318 HydrophobicContact CB-CB 4.49Å; N315-E318 HydrophobicContact CB-CG 4.21Å; N315-E318 WeakPolarHBondContact O-CB 3.27Å; N315-E318 PolarHBondContact O-N 2.95Å; N315-A321 WeakPolarHBondContact O-CB 3.33Å
316	K	96.5	Very high	97.3	Very high	35 Å²	35	26.3 Å²	26.3	15%	0.152	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-13.9	-175.9	-68.7	-178.4	-72.5	-99	0	115.8	A312 M313 E318 I322 L325 D394 I397 N398	A312-K316 VanDerWaalsContact O-CG 3.25Å; A312-K316 WeakPolarHBondContact O-CG 3.32Å; A312-K316 PolarHBondContact O-N 3.3Å; M313-K316 WeakPolarHBondContact O-CE 3.34Å; M313-K316 PolarHBondContact O-NZ 2.91Å; K316-E318 VanDerWaalsContact C-N 3.35Å; K316-I322 WeakPolarHBondContact O-CG1 3Å; K316-L325 HydrophobicContact CD-CD1 4.17Å; K316-L325 HydrophobicContact CG-CD1 3.71Å; K316-D394 HydrophobicContact CB-CB 3.84Å; K316-D394 WeakPolarHBondContact O-CB 3.34Å; K316-I397 HydrophobicContact CD-CG2 4.34Å; K316-N398 WeakPolarHBondContact CE-OD1 3.34Å; K316-N398 PolarHBondContact NZ-OD1 3.13Å
317	H	95.7	Very high	97.2	Very high	119 Å²	119	30.3 Å²	30.3	55%	0.551	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-18.6	174	57.8	-86.4	0	0	0	112.8	N315	N315-H317 PolarHBondContact O-N 3.32Å
318	E	96.9	Very high	97.2	Very high	75 Å²	75	30.3 Å²	30.3	35%	0.35	15%	0.149	S	C	.	.	S	Bend	trans	-80.7	138.1	179.5	-70.9	-66.8	170	0	0	111.4	F205 N315 K316 Q320 A321 I322	F205-E318 HydrophobicContact CD1-CB 4.41Å; F205-E318 HydrophobicContact CE1-CB 3.82Å; F205-E318 HydrophobicContact CE1-CG 3.94Å; N315-E318 HydrophobicContact CB-CB 4.49Å; N315-E318 HydrophobicContact CB-CG 4.21Å; N315-E318 WeakPolarHBondContact O-CB 3.27Å; N315-E318 PolarHBondContact O-N 2.95Å; K316-E318 VanDerWaalsContact C-N 3.35Å; E318-Q320 PolarHBondContact O-N 2.89Å; E318-Q320 VanDerWaalsContact O-N 3.12Å; E318-A321 HydrophobicContact CB-CB 4.44Å; E318-A321 PolarHBondContact O-N 3.03Å; E318-I322 WeakPolarHBondContact O-CG1 3.47Å; E318-I322 PolarHBondContact O-N 3.47Å
319	P	97	Very high	97.3	Very high	56 Å²	56	30 Å²	30	36%	0.364	15%	0.147	S	C	.	.	H	α-helix	trans	-54.2	-35.2	-179.7	-27.5	35	0	0	0	114.2	I322 A323 I388	P319-I322 PolarHBondContact O-N 3.27Å; P319-A323 WeakPolarHBondContact O-CB 3.36Å; P319-A323 PolarHBondContact O-N 2.93Å; P319-I388 HydrophobicContact CB-CD1 4.14Å; P319-I388 HydrophobicContact CB-CG1 4.47Å; P319-I388 HydrophobicContact CB-CG2 4.34Å; P319-I388 HydrophobicContact CG-CG2 4.41Å
320	Q	97.2	Very high	97.3	Very high	53 Å²	53	30.6 Å²	30.6	25%	0.248	15%	0.151	C	C	.	.	H	α-helix	trans	-70.3	-38.1	-179.7	-61.2	87.8	-25.9	0	0	111.9	F205 P208 E318 A323 Y324	F205-Q320 HydrophobicContact CD1-CB 3.99Å; F205-Q320 HydrophobicContact CD1-CG 4.32Å; F205-Q320 WeakPolarHBondContact O-CG 3.44Å; F205-Q320 PolarHBondContact O-NE2 3.49Å; P208-Q320 HydrophobicContact CB-CG 4.41Å; E318-Q320 PolarHBondContact O-N 2.89Å; E318-Q320 VanDerWaalsContact O-N 3.12Å; Q320-A323 PolarHBondContact O-N 3.4Å; Q320-Y324 PolarHBondContact O-N 3.25Å
321	A	97.9	Very high	97.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-68.6	-42.3	174.2	0	0	0	0	0	111	F204 A312 N315 E318 A323 Y324 L325	F204-A321 HydrophobicContact CE1-CB 4.34Å; A312-A321 HydrophobicContact CB-CB 4.45Å; N315-A321 WeakPolarHBondContact O-CB 3.33Å; E318-A321 HydrophobicContact CB-CB 4.44Å; E318-A321 PolarHBondContact O-N 3.03Å; A321-A323 VanDerWaalsContact C-N 3.32Å; A321-A323 PolarHBondContact O-N 3.33Å; A321-Y324 WeakPolarHBondContact O-CB 3.44Å; A321-Y324 PolarHBondContact O-N 2.99Å; A321-L325 WeakPolarHBondContact O-CG 3.37Å; A321-L325 PolarHBondContact O-N 3.35Å
322	I	98	Very high	96.7	Very high	8 Å²	8	36 Å²	36	4%	0.041	20%	0.196	C	C	.	.	H	α-helix	trans	-58.5	-45.7	173.2	-64.2	173.9	0	0	0	110.1	K316 E318 P319 Y324 L325 F326 L384 L387 I388 I397	K316-I322 WeakPolarHBondContact O-CG1 3Å; E318-I322 WeakPolarHBondContact O-CG1 3.47Å; E318-I322 PolarHBondContact O-N 3.47Å; P319-I322 PolarHBondContact O-N 3.27Å; I322-Y324 PolarHBondContact O-N 3.42Å; I322-L325 PolarHBondContact O-N 3.46Å; I322-F326 WeakPolarHBondContact O-CB 3.21Å; I322-F326 PolarHBondContact O-N 3.34Å; I322-L384 HydrophobicContact CG2-CD1 3.88Å; I322-L387 HydrophobicContact CG2-CB 4.35Å; I322-L387 HydrophobicContact CG2-CD2 3.72Å; I322-L387 HydrophobicContact CG2-CG 3.93Å; I322-I388 HydrophobicContact CB-CG1 4.3Å; I322-I388 HydrophobicContact CD1-CG1 4.43Å; I322-I388 HydrophobicContact CG2-CG1 3.9Å; I322-I397 HydrophobicContact CB-CD1 4.39Å; I322-I397 HydrophobicContact CG1-CD1 4.21Å; I322-I397 HydrophobicContact CG2-CD1 4.22Å
323	A	97.1	Very high	96.5	Very high	34 Å²	34	39 Å²	39	28%	0.281	23%	0.226	S	C	.	.	H	α-helix	trans	-61.9	-41.8	177.7	0	0	0	0	0	112.9	P319 Q320 A321 R327 L384	P319-A323 WeakPolarHBondContact O-CB 3.36Å; P319-A323 PolarHBondContact O-N 2.93Å; Q320-A323 PolarHBondContact O-N 3.4Å; A321-A323 VanDerWaalsContact C-N 3.32Å; A321-A323 PolarHBondContact O-N 3.33Å; A323-R327 PolarHBondContact O-N 3.09Å; A323-R327 VanDerWaalsContact O-N 3.15Å; A323-L384 HydrophobicContact CB-CD1 4.09Å; A323-L384 HydrophobicContact CB-CD2 3.81Å
324	Y	97.2	Very high	96.4	Very high	12 Å²	12	44.8 Å²	44.8	5%	0.047	25%	0.253	C	S	.	.	H	α-helix	trans	-60.3	-48.2	175.4	177.7	-92.9	0	0	0	111.8	F204 R210 C294 D308 L309 A312 Q320 A321 I322 R327 I328	F204-Y324 HydrophobicContact CE2-CD2 4.02Å; F204-Y324 HydrophobicContact CE2-CG 4.07Å; F204-Y324 HydrophobicContact CZ-CG 4.24Å; R210-Y324 VanDerWaalsContact NH2-CD2 3.34Å; R210-Y324 VanDerWaalsContact NH2-CE2 3.35Å; C294-Y324 PolarHBondContact SG-OH 3.43Å; D308-Y324 HydrophobicContact CB-CE2 3.97Å; L309-Y324 HydrophobicContact CD1-CE1 4.25Å; A312-Y324 HydrophobicContact CB-CD1 3.3Å; A312-Y324 HydrophobicContact CB-CE1 3.76Å; A312-Y324 HydrophobicContact CB-CG 4.02Å; Q320-Y324 PolarHBondContact O-N 3.25Å; A321-Y324 WeakPolarHBondContact O-CB 3.44Å; A321-Y324 PolarHBondContact O-N 2.99Å; I322-Y324 PolarHBondContact O-N 3.42Å; Y324-R327 PolarHBondContact O-N 3.38Å; Y324-I328 HydrophobicContact CD1-CD1 3.95Å; Y324-I328 HydrophobicContact CE1-CD1 3.54Å
325	L	98	Very high	96.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-72.3	-36.4	-178.6	-66.6	165.3	0	0	0	111.5	F286 A312 M313 K316 A321 I322 R327 I328 L329 I397	F286-L325 HydrophobicContact CE2-CD2 4.07Å; F286-L325 HydrophobicContact CZ-CD2 3.86Å; A312-L325 HydrophobicContact CB-CD1 4.3Å; A312-L325 HydrophobicContact CB-CD2 4.32Å; A312-L325 HydrophobicContact CB-CG 4.15Å; M313-L325 HydrophobicContact SD-CD1 4.48Å; M313-L325 HydrophobicContact SD-CD2 4.01Å; K316-L325 HydrophobicContact CD-CD1 4.17Å; K316-L325 HydrophobicContact CG-CD1 3.71Å; A321-L325 WeakPolarHBondContact O-CG 3.37Å; A321-L325 PolarHBondContact O-N 3.35Å; I322-L325 PolarHBondContact O-N 3.46Å; L325-R327 VanDerWaalsContact C-N 3.28Å; L325-R327 PolarHBondContact O-N 2.77Å; L325-I328 HydrophobicContact CD2-CD1 4.29Å; L325-I328 WeakPolarHBondContact O-CA 3.47Å; L325-I328 WeakPolarHBondContact O-CB 3.42Å; L325-I328 PolarHBondContact O-N 3.47Å; L325-L329 WeakPolarHBondContact O-CG 3.42Å; L325-L329 PolarHBondContact O-N 3.1Å; L325-I397 HydrophobicContact CB-CD1 3.95Å; L325-I397 HydrophobicContact CB-CG2 4.28Å; L325-I397 HydrophobicContact CD1-CD1 4.15Å; L325-I397 HydrophobicContact CD1-CG2 3.93Å
326	F	97.8	Very high	96.5	Very high	10 Å²	10	44.5 Å²	44.5	4%	0.044	26%	0.259	C	S	.	.	H	α-helix	trans	-57.8	-41.5	174.1	-174.7	-82.9	0	0	0	111.3	I322 I328 L329 D330 L337 T383 L384 L387	I322-F326 WeakPolarHBondContact O-CB 3.21Å; I322-F326 PolarHBondContact O-N 3.34Å; F326-I328 VanDerWaalsContact C-N 3.26Å; F326-I328 PolarHBondContact O-N 3.44Å; F326-L329 CarbonylContact O-C 3.59Å; F326-L329 PolarHBondContact O-N 3.47Å; F326-L329 VanDerWaalsContact O-N 3.13Å; F326-D330 HydrophobicContact CD1-CB 4.15Å; F326-D330 HydrophobicContact CE1-CB 3.88Å; F326-D330 VanDerWaalsContact O-CB 3.27Å; F326-D330 WeakPolarHBondContact O-CB 3.44Å; F326-D330 PolarHBondContact O-N 3.03Å; F326-L337 HydrophobicContact CD2-CD1 3.95Å; F326-L337 HydrophobicContact CD2-CG 4.2Å; F326-L337 HydrophobicContact CE2-CD1 3.74Å; F326-L337 HydrophobicContact CE2-CD2 4.22Å; F326-L337 HydrophobicContact CE2-CG 3.58Å; F326-L337 HydrophobicContact CZ-CD2 4.34Å; F326-L337 HydrophobicContact CZ-CG 4Å; F326-T383 VanDerWaalsContact CE2-C 3.46Å; F326-L384 HydrophobicContact CB-CD1 3.83Å; F326-L384 HydrophobicContact CD1-CB 4.09Å; F326-L384 HydrophobicContact CD2-CB 4.17Å; F326-L384 HydrophobicContact CD2-CD1 4.28Å; F326-L384 HydrophobicContact CE1-CB 4.2Å; F326-L384 HydrophobicContact CE2-CB 4.26Å; F326-L384 VanDerWaalsContact CE2-N 3.31Å; F326-L384 HydrophobicContact CG-CB 4.08Å; F326-L384 HydrophobicContact CG-CD1 4Å; F326-L384 HydrophobicContact CZ-CB 4.29Å; F326-L387 HydrophobicContact CD2-CD2 3.97Å
327	R	96.6	Very high	96.6	Very high	86 Å²	86	42.9 Å²	42.9	33%	0.325	25%	0.252	S	S	.	.	H	α-helix	trans	-59.9	-37.6	175.5	-174.4	179.6	64.9	166.4	7	112.3	A323 Y324 L325	A323-R327 PolarHBondContact O-N 3.09Å; A323-R327 VanDerWaalsContact O-N 3.15Å; Y324-R327 PolarHBondContact O-N 3.38Å; L325-R327 VanDerWaalsContact C-N 3.28Å; L325-R327 PolarHBondContact O-N 2.77Å
328	I	97.8	Very high	96.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67.4	-42.6	175.7	-64.2	162.7	0	0	0	110.3	F286 R289 V290 E293 Y324 L325 F326	F286-I328 HydrophobicContact CD2-CG2 3.81Å; F286-I328 HydrophobicContact CE2-CB 4.31Å; F286-I328 HydrophobicContact CE2-CD1 4.33Å; F286-I328 HydrophobicContact CE2-CG2 3.61Å; F286-I328 HydrophobicContact CZ-CD1 4.45Å; R289-I328 HydrophobicContact CB-CG2 3.54Å; R289-I328 PolarHBondContact NE-O 3.21Å; R289-I328 PolarHBondContact NH2-O 3.4Å; V290-I328 HydrophobicContact CG2-CD1 4.04Å; V290-I328 HydrophobicContact CG2-CG2 4.17Å; E293-I328 HydrophobicContact CB-CG1 4.27Å; Y324-I328 HydrophobicContact CD1-CD1 3.95Å; Y324-I328 HydrophobicContact CE1-CD1 3.54Å; L325-I328 HydrophobicContact CD2-CD1 4.29Å; L325-I328 WeakPolarHBondContact O-CA 3.47Å; L325-I328 WeakPolarHBondContact O-CB 3.42Å; L325-I328 PolarHBondContact O-N 3.47Å; F326-I328 VanDerWaalsContact C-N 3.26Å; F326-I328 PolarHBondContact O-N 3.44Å
329	L	98.2	Very high	96.7	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-71.3	-29.2	179.1	-64.5	177.3	0	0	0	113.9	L325 F326 V331 L337 T341 F345 I397 L400 I401	L325-L329 WeakPolarHBondContact O-CG 3.42Å; L325-L329 PolarHBondContact O-N 3.1Å; F326-L329 CarbonylContact O-C 3.59Å; F326-L329 PolarHBondContact O-N 3.47Å; F326-L329 VanDerWaalsContact O-N 3.13Å; L329-V331 VanDerWaalsContact C-N 3.27Å; L329-V331 PolarHBondContact O-N 3.05Å; L329-L337 HydrophobicContact CB-CD1 4.31Å; L329-L337 HydrophobicContact CB-CD2 3.78Å; L329-L337 HydrophobicContact CD1-CD1 4.36Å; L329-L337 WeakPolarHBondContact O-CD2 3.4Å; L329-T341 WeakPolarHBondContact O-CG2 3.46Å; L329-F345 HydrophobicContact CB-CE2 4.17Å; L329-F345 HydrophobicContact CB-CZ 4.37Å; L329-F345 HydrophobicContact CD2-CD1 3.81Å; L329-F345 HydrophobicContact CD2-CD2 3.82Å; L329-F345 HydrophobicContact CD2-CE1 3.62Å; L329-F345 HydrophobicContact CD2-CE2 3.65Å; L329-F345 HydrophobicContact CD2-CG 3.93Å; L329-F345 HydrophobicContact CD2-CZ 3.55Å; L329-F345 VanDerWaalsContact O-CE2 3.3Å; L329-F345 WeakPolarHBondContact O-CE2 3.4Å; L329-I397 HydrophobicContact CD1-CG1 4.07Å; L329-L400 HydrophobicContact CD1-CD1 4.16Å; L329-L400 HydrophobicContact CD2-CB 4.48Å; L329-I401 HydrophobicContact CD2-CG2 3.75Å
330	D	97.2	Very high	96.6	Very high	13 Å²	13	42.1 Å²	42.1	7%	0.07	26%	0.257	C	S	.	.	S	Bend	trans	-77.4	75.1	-177.5	-177.3	31.5	0	0	0	111.2	F326 G332 G333 Q334 G335 K336 L337	F326-D330 HydrophobicContact CD1-CB 4.15Å; F326-D330 HydrophobicContact CE1-CB 3.88Å; F326-D330 VanDerWaalsContact O-CB 3.27Å; F326-D330 WeakPolarHBondContact O-CB 3.44Å; F326-D330 PolarHBondContact O-N 3.03Å; D330-G332 PolarHBondContact O-N 3.29Å; D330-G333 PolarHBondContact O-N 3.41Å; D330-G333 VanDerWaalsContact OD2-CA 3.24Å; D330-G333 WeakPolarHBondContact OD2-CA 3.44Å; D330-Q334 PolarHBondContact OD1-N 2.89Å; D330-Q334 VanDerWaalsContact OD1-N 3.15Å; D330-Q334 PolarHBondContact OD2-N 3.41Å; D330-G335 PolarHBondContact OD1-N 3.14Å; D330-G335 VanDerWaalsContact OD2-CA 3.29Å; D330-G335 WeakPolarHBondContact OD2-CA 3.37Å; D330-G335 PolarHBondContact OD2-N 3.19Å; D330-K336 PolarHBondContact OD1-N 2.96Å; D330-L337 HydrophobicContact CB-CD2 4.28Å
331	V	94.1	Very high	96.6	Very high	58 Å²	58	40.3 Å²	40.3	35%	0.352	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	113.6	179.4	-178.5	0	0	0	0	109.8	L329 T341 Y344 F345	L329-V331 VanDerWaalsContact C-N 3.27Å; L329-V331 PolarHBondContact O-N 3.05Å; V331-T341 HydrophobicContact CB-CG2 4.34Å; V331-T341 HydrophobicContact CG2-CG2 4.08Å; V331-Y344 HydrophobicContact CG2-CD1 3.95Å; V331-Y344 HydrophobicContact CG2-CE1 4.07Å; V331-F345 HydrophobicContact CG2-CE2 3.99Å; V331-F345 HydrophobicContact CG2-CZ 4.23Å
332	G	89.7	Confident	96.6	Very high	62 Å²	62	40.4 Å²	40.4	64%	0.639	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.7	3.5	-178.9	0	0	0	0	0	115.3	D330 Q334	D330-G332 PolarHBondContact O-N 3.29Å; G332-Q334 PolarHBondContact O-N 2.9Å
333	G	94	Very high	96.6	Very high	61 Å²	61	44.1 Å²	44.1	63%	0.629	26%	0.263	S	S	*	.	S	Bend	trans	65.3	38.3	170	0	0	0	0	0	114.3	D330	D330-G333 PolarHBondContact O-N 3.41Å; D330-G333 VanDerWaalsContact OD2-CA 3.24Å; D330-G333 WeakPolarHBondContact OD2-CA 3.44Å
334	Q	95.4	Very high	96.6	Very high	141 Å²	141	46.8 Å²	46.8	66%	0.659	27%	0.267	S	S	*	.			trans	-89.4	-4.8	-175.9	-59.2	-174	7.2	0	0	113.2	D330 G332 K336	D330-Q334 PolarHBondContact OD1-N 2.89Å; D330-Q334 VanDerWaalsContact OD1-N 3.15Å; D330-Q334 PolarHBondContact OD2-N 3.41Å; G332-Q334 PolarHBondContact O-N 2.9Å; Q334-K336 VanDerWaalsContact C-N 3.3Å
335	G	97.2	Very high	96.7	Very high	34 Å²	34	46.2 Å²	46.2	35%	0.351	27%	0.265	S	S	.	.	S	Bend	trans	72.3	20.2	-172.5	0	0	0	0	0	113.3	D330	D330-G335 PolarHBondContact OD1-N 3.14Å; D330-G335 VanDerWaalsContact OD2-CA 3.29Å; D330-G335 WeakPolarHBondContact OD2-CA 3.37Å; D330-G335 PolarHBondContact OD2-N 3.19Å
336	K	97.6	Very high	96.6	Very high	77 Å²	77	46.3 Å²	46.3	34%	0.335	27%	0.265	S	S	.	.			trans	-147.6	122.8	-166.5	-64.4	179.2	-174.6	-178.7	0	112.8	D330 Q334 T338 Y381	D330-K336 PolarHBondContact OD1-N 2.96Å; Q334-K336 VanDerWaalsContact C-N 3.3Å; K336-T338 PolarHBondContact O-N 3.08Å; K336-Y381 HydrophobicContact CB-CD2 4.11Å; K336-Y381 HydrophobicContact CB-CG 4.16Å; K336-Y381 HydrophobicContact CD-CD1 3.96Å; K336-Y381 HydrophobicContact CD-CD2 3.77Å; K336-Y381 HydrophobicContact CD-CE1 4Å; K336-Y381 HydrophobicContact CD-CE2 3.84Å; K336-Y381 HydrophobicContact CD-CG 3.84Å; K336-Y381 HydrophobicContact CG-CD2 3.65Å; K336-Y381 HydrophobicContact CG-CE2 3.96Å; K336-Y381 HydrophobicContact CG-CG 4.03Å
337	L	98.1	Very high	96.6	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	101.7	168.1	-49.3	-179.9	0	0	0	109.3	F326 L329 D330 T341 L342 Y381 I382	F326-L337 HydrophobicContact CD2-CD1 3.95Å; F326-L337 HydrophobicContact CD2-CG 4.2Å; F326-L337 HydrophobicContact CE2-CD1 3.74Å; F326-L337 HydrophobicContact CE2-CD2 4.22Å; F326-L337 HydrophobicContact CE2-CG 3.58Å; F326-L337 HydrophobicContact CZ-CD2 4.34Å; F326-L337 HydrophobicContact CZ-CG 4Å; L329-L337 HydrophobicContact CB-CD1 4.31Å; L329-L337 HydrophobicContact CB-CD2 3.78Å; L329-L337 HydrophobicContact CD1-CD1 4.36Å; L329-L337 WeakPolarHBondContact O-CD2 3.4Å; D330-L337 HydrophobicContact CB-CD2 4.28Å; L337-T341 HydrophobicContact CD2-CG2 3.96Å; L337-L342 HydrophobicContact CB-CD2 4.26Å; L337-Y381 VanDerWaalsContact O-CA 3.31Å; L337-Y381 WeakPolarHBondContact O-CA 3.41Å; L337-I382 HydrophobicContact CB-CB 4.28Å; L337-I382 PolarHBondContact N-O 3.08Å; L337-I382 PolarHBondContact O-N 3.28Å
338	T	97.2	Very high	96.6	Very high	39 Å²	39	44.4 Å²	44.4	24%	0.239	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	170.5	174.5	66.7	0	0	0	0	111.4	K336 L340 T341 L342	K336-T338 PolarHBondContact O-N 3.08Å; T338-L340 PolarHBondContact O-N 2.87Å; T338-L340 PolarHBondContact OG1-N 3.12Å; T338-T341 PolarHBondContact N-OG1 3.46Å; T338-T341 WeakPolarHBondContact O-CB 3.33Å; T338-T341 PolarHBondContact O-N 3.48Å; T338-T341 PolarHBondContact OG1-N 3.27Å; T338-T341 PolarHBondContact OG1-OG1 3.16Å; T338-T341 VanDerWaalsContact OG1-OG1 3.12Å; T338-L342 WeakPolarHBondContact O-CG 3.27Å; T338-L342 PolarHBondContact O-N 3.37Å
339	S	96.7	Very high	96.5	Very high	60 Å²	60	44.4 Å²	44.4	42%	0.42	26%	0.263	S	S	.	.	H	α-helix	trans	-53.8	-34.8	170.9	57.6	0	0	0	0	113.3	L342 R343 F363	S339-L342 PolarHBondContact O-N 3.38Å; S339-R343 WeakPolarHBondContact O-CB 3.22Å; S339-R343 PolarHBondContact O-N 3.08Å; S339-F363 WeakPolarHBondContact O-CZ 3.44Å
340	L	96.4	Very high	96.4	Very high	135 Å²	135	45.4 Å²	45.4	71%	0.707	27%	0.268	S	S	*	.	H	α-helix	trans	-66.7	-43.2	176.7	-175.8	68.5	0	0	0	111.5	T338 R343 Y344	T338-L340 PolarHBondContact O-N 2.87Å; T338-L340 PolarHBondContact OG1-N 3.12Å; L340-R343 PolarHBondContact O-N 2.98Å; L340-Y344 PolarHBondContact O-N 3.07Å
341	T	96.7	Very high	96.2	Very high	15 Å²	15	49.6 Å²	49.6	9%	0.092	29%	0.29	C	S	.	.	H	α-helix	trans	-62.4	-46.1	176.8	-44.5	0	0	0	0	110.6	L329 V331 L337 T338 R343 Y344 F345	L329-T341 WeakPolarHBondContact O-CG2 3.46Å; V331-T341 HydrophobicContact CB-CG2 4.34Å; V331-T341 HydrophobicContact CG2-CG2 4.08Å; L337-T341 HydrophobicContact CD2-CG2 3.96Å; T338-T341 PolarHBondContact N-OG1 3.46Å; T338-T341 WeakPolarHBondContact O-CB 3.33Å; T338-T341 PolarHBondContact O-N 3.48Å; T338-T341 PolarHBondContact OG1-N 3.27Å; T338-T341 PolarHBondContact OG1-OG1 3.16Å; T338-T341 VanDerWaalsContact OG1-OG1 3.12Å; T341-R343 VanDerWaalsContact C-N 3.33Å; T341-R343 PolarHBondContact O-N 3.49Å; T341-Y344 WeakPolarHBondContact O-CB 3.37Å; T341-Y344 PolarHBondContact O-N 2.79Å; T341-F345 HydrophobicContact CG2-CD2 4.38Å; T341-F345 HydrophobicContact CG2-CE2 4.07Å; T341-F345 VanDerWaalsContact O-CD2 3.27Å; T341-F345 WeakPolarHBondContact O-CD2 3.44Å; T341-F345 PolarHBondContact O-N 3.42Å
342	L	97.7	Very high	96.2	Very high	2 Å²	2	49 Å²	49	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-64.3	-38.9	178.1	-62	176.1	0	0	0	111.6	L337 T338 S339 Y344 F345 Y346 F363 L367 I370 F371 I382 L400	L337-L342 HydrophobicContact CB-CD2 4.26Å; T338-L342 WeakPolarHBondContact O-CG 3.27Å; T338-L342 PolarHBondContact O-N 3.37Å; S339-L342 PolarHBondContact O-N 3.38Å; L342-Y344 VanDerWaalsContact C-N 3.33Å; L342-Y344 PolarHBondContact O-N 2.77Å; L342-F345 PolarHBondContact O-N 3.29Å; L342-Y346 WeakPolarHBondContact O-CB 3.39Å; L342-Y346 PolarHBondContact O-N 2.89Å; L342-F363 HydrophobicContact CB-CE2 4.27Å; L342-F363 HydrophobicContact CB-CZ 4.31Å; L342-L367 HydrophobicContact CB-CD1 4.38Å; L342-L367 HydrophobicContact CD1-CD1 3.58Å; L342-I370 HydrophobicContact CD1-CG2 4.26Å; L342-F371 HydrophobicContact CD1-CD2 4.4Å; L342-F371 HydrophobicContact CD1-CE2 3.73Å; L342-I382 HydrophobicContact CD1-CD1 4.41Å; L342-L400 HydrophobicContact CB-CD2 4.48Å; L342-L400 HydrophobicContact CD2-CD1 3.6Å; L342-L400 HydrophobicContact CD2-CD2 3.88Å; L342-L400 HydrophobicContact CD2-CG 4.4Å
343	R	97.7	Very high	96.3	Very high	86 Å²	86	46.2 Å²	46.2	33%	0.325	25%	0.253	S	S	.	.	H	α-helix	trans	-59.3	-45.5	174.9	-180	66.3	-164.1	-155.6	14.5	111.5	S339 L340 T341 F345 Y346 D347 E350 F363	S339-R343 WeakPolarHBondContact O-CB 3.22Å; S339-R343 PolarHBondContact O-N 3.08Å; L340-R343 PolarHBondContact O-N 2.98Å; T341-R343 VanDerWaalsContact C-N 3.33Å; T341-R343 PolarHBondContact O-N 3.49Å; R343-F345 VanDerWaalsContact C-N 3.34Å; R343-F345 PolarHBondContact O-N 3.49Å; R343-Y346 PolarHBondContact O-N 2.65Å; R343-Y346 VanDerWaalsContact O-N 3.16Å; R343-D347 IonicContact CZ-OD1 3.05Å; R343-D347 IonicContact NE-OD1 3.13Å; R343-D347 PolarHBondContact NE-OD1 3.43Å; R343-D347 IonicContact NE-OD2 3.14Å; R343-D347 IonicContact NH2-OD1 3Å; R343-D347 PolarHBondContact NH2-OD1 2.86Å; R343-D347 VanDerWaalsContact O-CG 3.3Å; R343-D347 PolarHBondContact O-N 2.97Å; R343-E350 IonicContact NH2-OE2 3.3Å; R343-F363 HydrophobicContact CB-CD2 4.46Å; R343-F363 HydrophobicContact CB-CE1 3.91Å; R343-F363 HydrophobicContact CB-CE2 3.88Å; R343-F363 HydrophobicContact CB-CZ 3.57Å; R343-F363 HydrophobicContact CG-CE1 4.42Å; R343-F363 HydrophobicContact CG-CZ 4.44Å; R343-F363 VanDerWaalsContact NH1-CB 3.27Å
344	Y	97.6	Very high	96.2	Very high	89 Å²	89	49.1 Å²	49.1	35%	0.349	25%	0.245	S	C	.	.	H	α-helix	trans	-57.3	-44.3	-179.9	173.6	-114	0	0	0	112.7	V285 R289 V331 L340 T341 L342	V285-Y344 HydrophobicContact CG1-CD1 3.63Å; V285-Y344 HydrophobicContact CG1-CD2 4.31Å; V285-Y344 HydrophobicContact CG1-CE1 3.2Å; V285-Y344 HydrophobicContact CG1-CE2 3.93Å; V285-Y344 HydrophobicContact CG1-CG 4.18Å; R289-Y344 HydrophobicContact CG-CE1 4.29Å; V331-Y344 HydrophobicContact CG2-CD1 3.95Å; V331-Y344 HydrophobicContact CG2-CE1 4.07Å; L340-Y344 PolarHBondContact O-N 3.07Å; T341-Y344 WeakPolarHBondContact O-CB 3.37Å; T341-Y344 PolarHBondContact O-N 2.79Å; L342-Y344 VanDerWaalsContact C-N 3.33Å; L342-Y344 PolarHBondContact O-N 2.77Å
345	F	98.2	Very high	96	Very high	1 Å²	1	46.6 Å²	46.6	0%	0.004	25%	0.248	C	C	.	.	H	α-helix	trans	-71.8	-38.9	175	-74	-75.1	0	0	0	112.6	V285 R289 L329 V331 T341 L342 R343 D347 G348 I349 L400	V285-F345 HydrophobicContact CG1-CD1 3.78Å; V285-F345 HydrophobicContact CG1-CE1 3.95Å; V285-F345 HydrophobicContact CG1-CG 4.43Å; R289-F345 HydrophobicContact CG-CE1 4.1Å; R289-F345 HydrophobicContact CG-CZ 3.92Å; L329-F345 HydrophobicContact CB-CE2 4.17Å; L329-F345 HydrophobicContact CB-CZ 4.37Å; L329-F345 HydrophobicContact CD2-CD1 3.81Å; L329-F345 HydrophobicContact CD2-CD2 3.82Å; L329-F345 HydrophobicContact CD2-CE1 3.62Å; L329-F345 HydrophobicContact CD2-CE2 3.65Å; L329-F345 HydrophobicContact CD2-CG 3.93Å; L329-F345 HydrophobicContact CD2-CZ 3.55Å; L329-F345 VanDerWaalsContact O-CE2 3.3Å; L329-F345 WeakPolarHBondContact O-CE2 3.4Å; V331-F345 HydrophobicContact CG2-CE2 3.99Å; V331-F345 HydrophobicContact CG2-CZ 4.23Å; T341-F345 HydrophobicContact CG2-CD2 4.38Å; T341-F345 HydrophobicContact CG2-CE2 4.07Å; T341-F345 VanDerWaalsContact O-CD2 3.27Å; T341-F345 WeakPolarHBondContact O-CD2 3.44Å; T341-F345 PolarHBondContact O-N 3.42Å; L342-F345 PolarHBondContact O-N 3.29Å; R343-F345 VanDerWaalsContact C-N 3.34Å; R343-F345 PolarHBondContact O-N 3.49Å; F345-D347 VanDerWaalsContact C-N 3.32Å; F345-D347 PolarHBondContact O-N 2.94Å; F345-G348 PolarHBondContact O-N 3.13Å; F345-G348 VanDerWaalsContact O-N 3.1Å; F345-I349 PolarHBondContact O-N 3.16Å; F345-L400 HydrophobicContact CB-CB 4.12Å; F345-L400 HydrophobicContact CB-CD2 4.17Å
346	Y	97.7	Very high	95.5	Very high	1 Å²	1	48.1 Å²	48.1	0%	0.004	25%	0.254	C	S	.	.	H	α-helix	trans	-62	-37.3	177.5	-174.8	-103.5	0	0	0	112.9	L342 R343 G348 I349 E350 P361 F363 V366 F406	L342-Y346 WeakPolarHBondContact O-CB 3.39Å; L342-Y346 PolarHBondContact O-N 2.89Å; R343-Y346 PolarHBondContact O-N 2.65Å; R343-Y346 VanDerWaalsContact O-N 3.16Å; Y346-G348 PolarHBondContact O-N 3.47Å; Y346-I349 HydrophobicContact CD2-CB 4.49Å; Y346-I349 WeakPolarHBondContact O-CA 3.36Å; Y346-I349 WeakPolarHBondContact O-CB 3.48Å; Y346-I349 PolarHBondContact O-N 3.14Å; Y346-E350 HydrophobicContact CE1-CB 4.34Å; Y346-E350 WeakPolarHBondContact O-CB 3.32Å; Y346-E350 PolarHBondContact O-N 2.76Å; Y346-P361 WeakPolarHBondContact OH-CD 3.33Å; Y346-P361 WeakPolarHBondContact OH-CG 3.35Å; Y346-P361 PolarHBondContact OH-O 2.73Å; Y346-F363 HydrophobicContact CD1-CB 3.93Å; Y346-F363 AromaticContact CD1-CD2 3.7Å; Y346-F363 HydrophobicContact CD1-CD2 3.7Å; Y346-F363 HydrophobicContact CD1-CG 4.26Å; Y346-F363 HydrophobicContact CE1-CB 4.04Å; Y346-F363 AromaticContact CG-CD2 3.81Å; Y346-F363 HydrophobicContact CG-CD2 3.81Å; Y346-V366 HydrophobicContact CD2-CB 4.47Å; Y346-V366 HydrophobicContact CD2-CG1 4.11Å; Y346-V366 HydrophobicContact CD2-CG2 4.43Å; Y346-V366 HydrophobicContact CE2-CB 4.26Å; Y346-V366 HydrophobicContact CE2-CG1 4.2Å; Y346-V366 HydrophobicContact CE2-CG2 3.75Å; Y346-F406 AromaticContact CE2-CE2 3.93Å; Y346-F406 HydrophobicContact CE2-CE2 3.93Å; Y346-F406 HydrophobicContact CE2-CZ 4.16Å
347	D	96.9	Very high	94.9	Very high	51 Å²	51	52.1 Å²	52.1	27%	0.273	28%	0.279	S	S	.	.	H	α-helix	trans	-57.5	-36.6	175.3	-70.7	-28.5	0	0	0	111	R343 F345 I349 E350 D351	R343-D347 IonicContact CZ-OD1 3.05Å; R343-D347 IonicContact NE-OD1 3.13Å; R343-D347 PolarHBondContact NE-OD1 3.43Å; R343-D347 IonicContact NE-OD2 3.14Å; R343-D347 IonicContact NH2-OD1 3Å; R343-D347 PolarHBondContact NH2-OD1 2.86Å; R343-D347 VanDerWaalsContact O-CG 3.3Å; R343-D347 PolarHBondContact O-N 2.97Å; F345-D347 VanDerWaalsContact C-N 3.32Å; F345-D347 PolarHBondContact O-N 2.94Å; D347-I349 PolarHBondContact O-N 2.9Å; D347-E350 PolarHBondContact O-N 3.49Å; D347-D351 PolarHBondContact O-N 2.79Å
348	G	96.3	Very high	94.2	Very high	6 Å²	6	54.8 Å²	54.8	6%	0.062	29%	0.293	C	S	.	.	H	α-helix	trans	-66.9	-31.7	174.2	0	0	0	0	0	114.3	T283 F345 Y346	T283-G348 WeakPolarHBondContact CG2-O 3.39Å; F345-G348 PolarHBondContact O-N 3.13Å; F345-G348 VanDerWaalsContact O-N 3.1Å; Y346-G348 PolarHBondContact O-N 3.47Å
349	I	96.1	Very high	93.7	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-72.3	-44.5	172.4	-63.8	-73	0	0	0	109.9	T283 F345 Y346 D347 D351 K352 L353 I399 F406	T283-I349 HydrophobicContact CG2-CD1 3.37Å; T283-I349 HydrophobicContact CG2-CG1 3.83Å; F345-I349 PolarHBondContact O-N 3.16Å; Y346-I349 HydrophobicContact CD2-CB 4.49Å; Y346-I349 WeakPolarHBondContact O-CA 3.36Å; Y346-I349 WeakPolarHBondContact O-CB 3.48Å; Y346-I349 PolarHBondContact O-N 3.14Å; D347-I349 PolarHBondContact O-N 2.9Å; I349-D351 VanDerWaalsContact C-N 3.32Å; I349-D351 PolarHBondContact O-N 3.24Å; I349-K352 PolarHBondContact O-N 2.76Å; I349-L353 HydrophobicContact CG2-CD1 3.84Å; I349-L353 HydrophobicContact CG2-CG 4.3Å; I349-L353 WeakPolarHBondContact O-CG 3.31Å; I349-L353 PolarHBondContact O-N 2.93Å; I349-I399 WeakPolarHBondContact CG1-O 3.37Å; I349-F406 HydrophobicContact CD1-CB 4.43Å; I349-F406 HydrophobicContact CG2-CB 4.26Å; I349-F406 HydrophobicContact CG2-CD1 4.11Å; I349-F406 HydrophobicContact CG2-CD2 3.88Å; I349-F406 HydrophobicContact CG2-CE1 4.48Å; I349-F406 HydrophobicContact CG2-CE2 4.3Å; I349-F406 HydrophobicContact CG2-CG 3.8Å
350	E	95.3	Very high	93.3	Very high	22 Å²	22	60.1 Å²	60.1	10%	0.103	32%	0.317	C	S	.	.	H	α-helix	trans	-58.4	-43.5	179.4	-165.1	-177.2	-127	0	0	111.4	R343 Y346 D347 K352 L353 R354 T360	R343-E350 IonicContact NH2-OE2 3.3Å; Y346-E350 HydrophobicContact CE1-CB 4.34Å; Y346-E350 WeakPolarHBondContact O-CB 3.32Å; Y346-E350 PolarHBondContact O-N 2.76Å; D347-E350 PolarHBondContact O-N 3.49Å; E350-K352 PolarHBondContact O-N 3Å; E350-L353 PolarHBondContact O-N 3.2Å; E350-R354 WeakPolarHBondContact O-CB 3.48Å; E350-R354 WeakPolarHBondContact O-CG 3.35Å; E350-R354 PolarHBondContact O-N 3.46Å; E350-R354 IonicContact OE1-CZ 3.83Å; E350-R354 IonicContact OE1-NH2 2.67Å; E350-R354 PolarHBondContact OE1-NH2 3.01Å; E350-R354 IonicContact OE2-CZ 3.71Å; E350-R354 IonicContact OE2-NH1 3.15Å; E350-R354 PolarHBondContact OE2-NH1 2.84Å; E350-R354 IonicContact OE2-NH2 2.95Å; E350-R354 PolarHBondContact OE2-NH2 3.14Å; E350-T360 HydrophobicContact CG-CG2 3.77Å
351	D	94.4	Very high	93.1	Very high	100 Å²	100	55.2 Å²	55.2	54%	0.535	29%	0.293	S	S	.	.	H	α-helix	trans	-61.4	-43	176.8	-76.1	-17.7	0	0	0	112.2	D347 I349 A355	D347-D351 PolarHBondContact O-N 2.79Å; I349-D351 VanDerWaalsContact C-N 3.32Å; I349-D351 PolarHBondContact O-N 3.24Å; D351-A355 WeakPolarHBondContact O-CB 3.29Å; D351-A355 PolarHBondContact O-N 3.29Å
352	K	93	Very high	93	Very high	47 Å²	47	57.2 Å²	57.2	20%	0.204	31%	0.308	C	S	.	.	H	α-helix	trans	-67.9	-39.7	176	-81.7	-165.9	-174.9	-93.4	0	113	G280 L282 T283 I349 E350 A355 S356 L403	G280-K352 PolarHBondContact O-NZ 3.44Å; L282-K352 VanDerWaalsContact C-CE 3.47Å; L282-K352 WeakPolarHBondContact O-CE 3.49Å; L282-K352 PolarHBondContact O-NZ 2.73Å; L282-K352 VanDerWaalsContact O-NZ 3.14Å; T283-K352 HydrophobicContact CG2-CD 4.49Å; I349-K352 PolarHBondContact O-N 2.76Å; E350-K352 PolarHBondContact O-N 3Å; K352-A355 PolarHBondContact O-N 3.43Å; K352-S356 PolarHBondContact O-N 3.39Å; K352-S356 PolarHBondContact O-OG 2.99Å; K352-L403 HydrophobicContact CB-CD1 4.12Å; K352-L403 HydrophobicContact CB-CD2 4.16Å; K352-L403 HydrophobicContact CD-CB 4.13Å; K352-L403 HydrophobicContact CD-CD2 4.36Å
353	L	92.3	Very high	92.9	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-61.2	-46.3	176.1	-77.2	169.5	0	0	0	111	I349 E350 A355 S356 D357 N358 T360 L403 F406 W407	I349-L353 HydrophobicContact CG2-CD1 3.84Å; I349-L353 HydrophobicContact CG2-CG 4.3Å; I349-L353 WeakPolarHBondContact O-CG 3.31Å; I349-L353 PolarHBondContact O-N 2.93Å; E350-L353 PolarHBondContact O-N 3.2Å; L353-A355 VanDerWaalsContact C-N 3.35Å; L353-A355 PolarHBondContact O-N 3.3Å; L353-S356 CarbonylContact O-C 3.45Å; L353-S356 PolarHBondContact O-N 2.68Å; L353-S356 VanDerWaalsContact O-N 3.12Å; L353-D357 PolarHBondContact O-N 2.69Å; L353-N358 HydrophobicContact CD2-CB 4.11Å; L353-N358 PolarHBondContact O-N 3.43Å; L353-N358 VanDerWaalsContact O-N 3.11Å; L353-T360 HydrophobicContact CB-CG2 3.55Å; L353-T360 HydrophobicContact CD1-CG2 3.9Å; L353-T360 HydrophobicContact CG-CG2 4.37Å; L353-L403 HydrophobicContact CD2-CD1 3.72Å; L353-L403 HydrophobicContact CG-CD1 3.81Å; L353-F406 HydrophobicContact CD1-CD1 4.21Å; L353-F406 HydrophobicContact CD1-CE1 3.89Å; L353-W407 HydrophobicContact CD2-CZ2 3.84Å; L353-W407 VanDerWaalsContact CD2-NE1 3.29Å
354	R	91.7	Very high	92.9	Very high	123 Å²	123	59.1 Å²	59.1	46%	0.464	32%	0.324	S	S	.	.	H	α-helix	trans	-61.9	-40.2	175.8	-74	176.6	178.5	143.3	6.2	112.5	E350 S356 D357 T360	E350-R354 WeakPolarHBondContact O-CB 3.48Å; E350-R354 WeakPolarHBondContact O-CG 3.35Å; E350-R354 PolarHBondContact O-N 3.46Å; E350-R354 IonicContact OE1-CZ 3.83Å; E350-R354 IonicContact OE1-NH2 2.67Å; E350-R354 PolarHBondContact OE1-NH2 3.01Å; E350-R354 IonicContact OE2-CZ 3.71Å; E350-R354 IonicContact OE2-NH1 3.15Å; E350-R354 PolarHBondContact OE2-NH1 2.84Å; E350-R354 IonicContact OE2-NH2 2.95Å; E350-R354 PolarHBondContact OE2-NH2 3.14Å; R354-S356 PolarHBondContact O-N 3.04Å; R354-D357 PolarHBondContact O-N 2.95Å; R354-D357 VanDerWaalsContact O-N 3.13Å; R354-T360 HydrophobicContact CG-CG2 4.2Å
355	A	90.6	Very high	92.8	Very high	87 Å²	87	59.8 Å²	59.8	72%	0.719	33%	0.333	S	S	*	.	H	α-helix	trans	-64.4	-19.3	177.4	0	0	0	0	0	113.3	D351 K352 L353	D351-A355 WeakPolarHBondContact O-CB 3.29Å; D351-A355 PolarHBondContact O-N 3.29Å; K352-A355 PolarHBondContact O-N 3.43Å; L353-A355 VanDerWaalsContact C-N 3.35Å; L353-A355 PolarHBondContact O-N 3.3Å
356	S	86.8	Confident	92.7	Very high	67 Å²	67	60 Å²	60	47%	0.469	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	15.4	177.1	-58.7	0	0	0	0	113.3	K352 L353 R354 N358	K352-S356 PolarHBondContact O-N 3.39Å; K352-S356 PolarHBondContact O-OG 2.99Å; L353-S356 CarbonylContact O-C 3.45Å; L353-S356 PolarHBondContact O-N 2.68Å; L353-S356 VanDerWaalsContact O-N 3.12Å; R354-S356 PolarHBondContact O-N 3.04Å; S356-N358 VanDerWaalsContact CB-ND2 3.27Å; S356-N358 WeakPolarHBondContact CB-ND2 3.47Å; S356-N358 PolarHBondContact O-N 3.35Å; S356-N358 PolarHBondContact O-ND2 2.9Å
357	D	85.8	Confident	92.7	Very high	161 Å²	161	61.2 Å²	61.2	86%	0.861	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	32.4	-178.6	-73.1	-33	0	0	0	114.4	L353 R354	L353-D357 PolarHBondContact O-N 2.69Å; R354-D357 PolarHBondContact O-N 2.95Å; R354-D357 VanDerWaalsContact O-N 3.13Å
358	N	83.9	Confident	92.7	Very high	56 Å²	56	63.3 Å²	63.3	30%	0.299	35%	0.352	S	S	.	.			trans	-98.5	151	178	-66.5	-60.2	0	0	0	112.3	L353 S356 W407	L353-N358 HydrophobicContact CD2-CB 4.11Å; L353-N358 PolarHBondContact O-N 3.43Å; L353-N358 VanDerWaalsContact O-N 3.11Å; S356-N358 VanDerWaalsContact CB-ND2 3.27Å; S356-N358 WeakPolarHBondContact CB-ND2 3.47Å; S356-N358 PolarHBondContact O-N 3.35Å; S356-N358 PolarHBondContact O-ND2 2.9Å; N358-W407 HydrophobicContact CB-CH2 4.17Å; N358-W407 HydrophobicContact CB-CZ2 3.67Å; N358-W407 WeakPolarHBondContact ND2-CZ2 2.89Å; N358-W407 WeakPolarHBondContact OD1-CH2 3.41Å
359	D	85.6	Confident	92.7	Very high	163 Å²	163	64.8 Å²	64.8	87%	0.872	36%	0.357	S	S	*	.			trans	-63.8	141.6	172.7	-78.6	-29.3	0	0	0	110.9
360	T	88.6	Confident	92.8	Very high	48 Å²	48	64.9 Å²	64.9	29%	0.294	36%	0.358	S	S	.	.			trans	-111	121.6	-178.1	42.7	0	0	0	0	109.4	E350 L353 R354	E350-T360 HydrophobicContact CG-CG2 3.77Å; L353-T360 HydrophobicContact CB-CG2 3.55Å; L353-T360 HydrophobicContact CD1-CG2 3.9Å; L353-T360 HydrophobicContact CG-CG2 4.37Å; R354-T360 HydrophobicContact CG-CG2 4.2Å
361	P	92.1	Very high	92.9	Very high	32 Å²	32	65.5 Å²	65.5	21%	0.208	36%	0.36	C	S	.	.			trans	-65.5	154.7	174.1	22.1	-25.8	0	0	0	110.3	Y346 V366 F406	Y346-P361 WeakPolarHBondContact OH-CD 3.33Å; Y346-P361 WeakPolarHBondContact OH-CG 3.35Å; Y346-P361 PolarHBondContact OH-O 2.73Å; P361-V366 HydrophobicContact CB-CG2 4.25Å; P361-V366 HydrophobicContact CG-CG2 4.05Å; P361-F406 HydrophobicContact CG-CE1 4.08Å; P361-F406 HydrophobicContact CG-CZ 3.57Å
362	S	94.6	Very high	93	Very high	57 Å²	57	66.4 Å²	66.4	40%	0.399	37%	0.365	S	S	.	.			trans	-68.8	137.8	175.3	61.8	0	0	0	0	110.1	D364 N365 V366	S362-D364 PolarHBondContact O-N 3.2Å; S362-D364 VanDerWaalsContact O-N 3.14Å; S362-N365 WeakPolarHBondContact O-CB 3.24Å; S362-N365 PolarHBondContact O-N 3.03Å; S362-N365 PolarHBondContact OG-ND2 2.86Å; S362-V366 PolarHBondContact O-N 3.39Å
363	F	96.5	Very high	93.2	Very high	23 Å²	23	65.4 Å²	65.4	10%	0.101	36%	0.362	C	S	.	.	H	α-helix	trans	-51.5	-38	176.2	174	-110.4	0	0	0	113.3	S339 L342 R343 Y346 N365 V366 L367	S339-F363 WeakPolarHBondContact O-CZ 3.44Å; L342-F363 HydrophobicContact CB-CE2 4.27Å; L342-F363 HydrophobicContact CB-CZ 4.31Å; R343-F363 HydrophobicContact CB-CD2 4.46Å; R343-F363 HydrophobicContact CB-CE1 3.91Å; R343-F363 HydrophobicContact CB-CE2 3.88Å; R343-F363 HydrophobicContact CB-CZ 3.57Å; R343-F363 HydrophobicContact CG-CE1 4.42Å; R343-F363 HydrophobicContact CG-CZ 4.44Å; R343-F363 VanDerWaalsContact NH1-CB 3.27Å; Y346-F363 HydrophobicContact CD1-CB 3.93Å; Y346-F363 AromaticContact CD1-CD2 3.7Å; Y346-F363 HydrophobicContact CD1-CD2 3.7Å; Y346-F363 HydrophobicContact CD1-CG 4.26Å; Y346-F363 HydrophobicContact CE1-CB 4.04Å; Y346-F363 AromaticContact CG-CD2 3.81Å; Y346-F363 HydrophobicContact CG-CD2 3.81Å; F363-N365 VanDerWaalsContact C-N 3.26Å; F363-N365 PolarHBondContact O-N 3.41Å; F363-V366 PolarHBondContact O-N 3.16Å; F363-L367 HydrophobicContact CE1-CB 4.27Å; F363-L367 HydrophobicContact CE1-CD2 3.94Å; F363-L367 HydrophobicContact CE1-CG 4.48Å; F363-L367 HydrophobicContact CE2-CB 4.35Å; F363-L367 HydrophobicContact CZ-CB 4.11Å; F363-L367 HydrophobicContact CZ-CD1 3.93Å; F363-L367 HydrophobicContact CZ-CD2 4.19Å; F363-L367 HydrophobicContact CZ-CG 4.31Å; F363-L367 VanDerWaalsContact O-CB 3.24Å; F363-L367 WeakPolarHBondContact O-CB 3.32Å; F363-L367 PolarHBondContact O-N 3.39Å
364	D	97	Very high	93.4	Very high	106 Å²	106	65.7 Å²	65.7	57%	0.567	36%	0.363	S	S	*	.	H	α-helix	trans	-60.7	-34.6	179.7	-66.5	-35.3	0	0	0	112.5	S362 N368	S362-D364 PolarHBondContact O-N 3.2Å; S362-D364 VanDerWaalsContact O-N 3.14Å; D364-N368 WeakPolarHBondContact O-CB 3.44Å; D364-N368 PolarHBondContact O-N 3.48Å; D364-N368 PolarHBondContact O-ND2 3.1Å
365	N	95.6	Very high	93.7	Very high	103 Å²	103	69.6 Å²	69.6	55%	0.551	38%	0.378	S	S	*	.	H	α-helix	trans	-69.6	-48.3	176.3	-70.1	-10.4	0	0	0	111	S362 F363 L367 N368 E369	S362-N365 WeakPolarHBondContact O-CB 3.24Å; S362-N365 PolarHBondContact O-N 3.03Å; S362-N365 PolarHBondContact OG-ND2 2.86Å; F363-N365 VanDerWaalsContact C-N 3.26Å; F363-N365 PolarHBondContact O-N 3.41Å; N365-L367 VanDerWaalsContact C-N 3.31Å; N365-L367 PolarHBondContact O-N 3.08Å; N365-N368 PolarHBondContact O-N 3.21Å; N365-E369 WeakPolarHBondContact O-CB 3.41Å; N365-E369 PolarHBondContact O-N 3.37Å
366	V	95.9	Very high	94.1	Very high	4 Å²	4	66.3 Å²	66.3	2%	0.024	35%	0.349	C	S	.	.	H	α-helix	trans	-62.5	-40.8	178.5	-179.7	0	0	0	0	110.7	Y346 P361 S362 F363 E369 I370 I399 F406	Y346-V366 HydrophobicContact CD2-CB 4.47Å; Y346-V366 HydrophobicContact CD2-CG1 4.11Å; Y346-V366 HydrophobicContact CD2-CG2 4.43Å; Y346-V366 HydrophobicContact CE2-CB 4.26Å; Y346-V366 HydrophobicContact CE2-CG1 4.2Å; Y346-V366 HydrophobicContact CE2-CG2 3.75Å; P361-V366 HydrophobicContact CB-CG2 4.25Å; P361-V366 HydrophobicContact CG-CG2 4.05Å; S362-V366 PolarHBondContact O-N 3.39Å; F363-V366 PolarHBondContact O-N 3.16Å; V366-E369 PolarHBondContact O-N 3.27Å; V366-I370 HydrophobicContact CG1-CD1 4.03Å; V366-I370 VanDerWaalsContact O-CG1 3.32Å; V366-I370 WeakPolarHBondContact O-CG1 3.4Å; V366-I370 PolarHBondContact O-N 2.59Å; V366-I399 HydrophobicContact CG1-CG2 3.87Å; V366-F406 HydrophobicContact CG1-CE2 4.44Å; V366-F406 HydrophobicContact CG2-CE2 4.32Å; V366-F406 HydrophobicContact CG2-CZ 4.39Å
367	L	97.4	Very high	94.6	Very high	27 Å²	27	67.8 Å²	67.8	14%	0.141	37%	0.365	C	S	.	.	H	α-helix	trans	-60.7	-51.3	176.1	-178.7	68.6	0	0	0	111.2	L342 F363 N365 E369 I370 F371	L342-L367 HydrophobicContact CB-CD1 4.38Å; L342-L367 HydrophobicContact CD1-CD1 3.58Å; F363-L367 HydrophobicContact CE1-CB 4.27Å; F363-L367 HydrophobicContact CE1-CD2 3.94Å; F363-L367 HydrophobicContact CE1-CG 4.48Å; F363-L367 HydrophobicContact CE2-CB 4.35Å; F363-L367 HydrophobicContact CZ-CB 4.11Å; F363-L367 HydrophobicContact CZ-CD1 3.93Å; F363-L367 HydrophobicContact CZ-CD2 4.19Å; F363-L367 HydrophobicContact CZ-CG 4.31Å; F363-L367 VanDerWaalsContact O-CB 3.24Å; F363-L367 WeakPolarHBondContact O-CB 3.32Å; F363-L367 PolarHBondContact O-N 3.39Å; N365-L367 VanDerWaalsContact C-N 3.31Å; N365-L367 PolarHBondContact O-N 3.08Å; L367-E369 VanDerWaalsContact C-N 3.28Å; L367-E369 PolarHBondContact O-N 3.41Å; L367-I370 PolarHBondContact O-N 3.36Å; L367-F371 HydrophobicContact CD1-CD2 3.78Å; L367-F371 HydrophobicContact CD1-CE2 3.55Å; L367-F371 HydrophobicContact CG-CD2 4.2Å; L367-F371 HydrophobicContact CG-CE2 4.33Å; L367-F371 WeakPolarHBondContact O-CD2 3.18Å; L367-F371 PolarHBondContact O-N 2.89Å
368	N	96.9	Very high	95.2	Very high	96 Å²	96	62.3 Å²	62.3	51%	0.513	34%	0.336	S	S	.	.	H	α-helix	trans	-59.2	-42.7	178.8	-73.4	-29.8	0	0	0	111.1	D364 N365 F371 D372	D364-N368 WeakPolarHBondContact O-CB 3.44Å; D364-N368 PolarHBondContact O-N 3.48Å; D364-N368 PolarHBondContact O-ND2 3.1Å; N365-N368 PolarHBondContact O-N 3.21Å; N368-F371 PolarHBondContact O-N 3.46Å; N368-D372 WeakPolarHBondContact O-CB 3.38Å; N368-D372 PolarHBondContact O-N 2.87Å
369	E	96.3	Very high	95.7	Very high	37 Å²	37	64.4 Å²	64.4	17%	0.173	35%	0.353	C	S	.	.	H	α-helix	trans	-63.2	-44.3	178.5	-169.8	179.5	-173.8	0	0	112.7	N365 V366 L367 F371 D372 M373 H409 R412	N365-E369 WeakPolarHBondContact O-CB 3.41Å; N365-E369 PolarHBondContact O-N 3.37Å; V366-E369 PolarHBondContact O-N 3.27Å; L367-E369 VanDerWaalsContact C-N 3.28Å; L367-E369 PolarHBondContact O-N 3.41Å; E369-F371 VanDerWaalsContact C-N 3.34Å; E369-F371 PolarHBondContact O-N 3.15Å; E369-D372 PolarHBondContact O-N 3.36Å; E369-M373 HydrophobicContact CG-CE 4.27Å; E369-M373 WeakPolarHBondContact O-CB 3.37Å; E369-M373 VanDerWaalsContact O-CG 3.31Å; E369-M373 WeakPolarHBondContact O-CG 3.3Å; E369-M373 PolarHBondContact O-N 3.07Å; E369-H409 IonicContact OE1-CD2 2.63Å; E369-H409 IonicContact OE1-CE1 3.92Å; E369-H409 PolarHBondContact OE1-CE1 3.33Å; E369-H409 VanDerWaalsContact OE1-CE1 3.3Å; E369-H409 IonicContact OE1-NE2 3.44Å; E369-H409 PolarHBondContact OE1-NE2 2.94Å; E369-H409 IonicContact OE2-NE2 3.07Å; E369-H409 PolarHBondContact OE2-NE2 3.1Å; E369-R412 IonicContact OE1-CZ 3.68Å; E369-R412 IonicContact OE1-NH1 3.9Å; E369-R412 PolarHBondContact OE1-NH1 2.96Å; E369-R412 IonicContact OE1-NH2 2.74Å; E369-R412 PolarHBondContact OE1-NH2 3.46Å
370	I	97.7	Very high	96.2	Very high	2 Å²	2	63.5 Å²	63.5	1%	0.01	34%	0.343	C	S	.	.	H	α-helix	trans	-59.3	-46.2	174.6	-70.7	170.8	0	0	0	110.3	L342 V366 L367 D372 M373 V374 I382 V396 I399 L400	L342-I370 HydrophobicContact CD1-CG2 4.26Å; V366-I370 HydrophobicContact CG1-CD1 4.03Å; V366-I370 VanDerWaalsContact O-CG1 3.32Å; V366-I370 WeakPolarHBondContact O-CG1 3.4Å; V366-I370 PolarHBondContact O-N 2.59Å; L367-I370 PolarHBondContact O-N 3.36Å; I370-D372 PolarHBondContact O-N 3.34Å; I370-M373 HydrophobicContact CG1-CE 4.34Å; I370-M373 PolarHBondContact O-N 3.31Å; I370-V374 HydrophobicContact CG2-CG2 4.38Å; I370-V374 WeakPolarHBondContact O-CB 3.47Å; I370-V374 WeakPolarHBondContact O-CG2 3.38Å; I370-V374 PolarHBondContact O-N 2.63Å; I370-I382 HydrophobicContact CG2-CD1 3.67Å; I370-V396 HydrophobicContact CG2-CG1 3.91Å; I370-V396 HydrophobicContact CG2-CG2 4.43Å; I370-I399 HydrophobicContact CD1-CG2 4.11Å; I370-L400 HydrophobicContact CD1-CD2 4Å; I370-L400 HydrophobicContact CD1-CG 4.44Å
371	F	97.8	Very high	96.7	Very high	35 Å²	35	63.9 Å²	63.9	15%	0.154	34%	0.34	C	S	.	.	H	α-helix	trans	-67.3	-34.6	179.5	-88.6	-101.6	0	0	0	112.8	L342 L367 N368 E369 R375 P376 P379 I382	L342-F371 HydrophobicContact CD1-CD2 4.4Å; L342-F371 HydrophobicContact CD1-CE2 3.73Å; L367-F371 HydrophobicContact CD1-CD2 3.78Å; L367-F371 HydrophobicContact CD1-CE2 3.55Å; L367-F371 HydrophobicContact CG-CD2 4.2Å; L367-F371 HydrophobicContact CG-CE2 4.33Å; L367-F371 WeakPolarHBondContact O-CD2 3.18Å; L367-F371 PolarHBondContact O-N 2.89Å; N368-F371 PolarHBondContact O-N 3.46Å; E369-F371 VanDerWaalsContact C-N 3.34Å; E369-F371 PolarHBondContact O-N 3.15Å; F371-R375 WeakPolarHBondContact O-CA 3.47Å; F371-R375 PolarHBondContact O-N 2.74Å; F371-P376 HydrophobicContact CD1-CG 3.68Å; F371-P376 HydrophobicContact CE1-CG 3.79Å; F371-P379 VanDerWaalsContact CE1-O 3.24Å; F371-P379 WeakPolarHBondContact CE1-O 3.44Å; F371-I382 HydrophobicContact CD2-CD1 4.4Å; F371-I382 HydrophobicContact CE1-CG1 4.47Å; F371-I382 HydrophobicContact CE2-CD1 4.2Å; F371-I382 HydrophobicContact CZ-CD1 4.41Å; F371-I382 HydrophobicContact CZ-CG1 4.34Å
372	D	97	Very high	97	Very high	118 Å²	118	62.4 Å²	62.4	63%	0.631	33%	0.33	S	S	*	.	H	α-helix	trans	-70.7	-34	175.4	-80.6	-16.5	0	0	0	112.6	N368 E369 I370 R375	N368-D372 WeakPolarHBondContact O-CB 3.38Å; N368-D372 PolarHBondContact O-N 2.87Å; E369-D372 PolarHBondContact O-N 3.36Å; I370-D372 PolarHBondContact O-N 3.34Å; D372-R375 WeakPolarHBondContact O-CG 3.37Å; D372-R375 PolarHBondContact O-NE 2.92Å
373	M	96.4	Very high	97.2	Very high	27 Å²	27	61.4 Å²	61.4	13%	0.133	32%	0.321	C	S	.	.	H	α-helix	trans	-70.4	-47.4	173.4	-75.4	-166.7	-67.3	0	0	111.9	E369 I370 K392 T395 V396 I399	E369-M373 HydrophobicContact CG-CE 4.27Å; E369-M373 WeakPolarHBondContact O-CB 3.37Å; E369-M373 VanDerWaalsContact O-CG 3.31Å; E369-M373 WeakPolarHBondContact O-CG 3.3Å; E369-M373 PolarHBondContact O-N 3.07Å; I370-M373 HydrophobicContact CG1-CE 4.34Å; I370-M373 PolarHBondContact O-N 3.31Å; M373-K392 HydrophobicContact CB-CD 4.24Å; M373-K392 HydrophobicContact CG-CD 4.1Å; M373-K392 HydrophobicContact SD-CD 4.04Å; M373-T395 HydrophobicContact SD-CG2 4.27Å; M373-V396 HydrophobicContact CE-CG2 3.97Å; M373-I399 HydrophobicContact CE-CD1 3.68Å
374	V	98.1	Very high	97.2	Very high	7 Å²	7	62.7 Å²	62.7	4%	0.042	33%	0.329	C	S	.	.	H	α-helix	trans	-79.7	-38.1	-173.8	177.3	0	0	0	0	112.1	I370 P376 I382 D386 L387 C390 V396	I370-V374 HydrophobicContact CG2-CG2 4.38Å; I370-V374 WeakPolarHBondContact O-CB 3.47Å; I370-V374 WeakPolarHBondContact O-CG2 3.38Å; I370-V374 PolarHBondContact O-N 2.63Å; V374-P376 HydrophobicContact CG1-CB 4.41Å; V374-I382 HydrophobicContact CB-CD1 4.15Å; V374-I382 HydrophobicContact CB-CG1 4.37Å; V374-I382 HydrophobicContact CG1-CB 4.49Å; V374-I382 HydrophobicContact CG1-CD1 4.21Å; V374-I382 HydrophobicContact CG1-CG1 3.96Å; V374-I382 HydrophobicContact CG1-CG2 3.83Å; V374-I382 HydrophobicContact CG2-CD1 4.05Å; V374-D386 HydrophobicContact CG1-CB 3.8Å; V374-L387 HydrophobicContact CG2-CD1 4.16Å; V374-C390 HydrophobicContact CB-CB 4.49Å; V374-C390 HydrophobicContact CG1-CB 4.42Å; V374-C390 WeakPolarHBondContact O-CB 3.38Å; V374-V396 HydrophobicContact CG2-CG2 3.72Å
375	R	97.7	Very high	97.3	Very high	206 Å²	206	62.8 Å²	62.8	78%	0.777	33%	0.33	S	S	*	.			trans	49.3	58.3	-174.8	-56.6	-176.9	177.1	-174.1	-4.5	112.3	F371 D372	F371-R375 WeakPolarHBondContact O-CA 3.47Å; F371-R375 PolarHBondContact O-N 2.74Å; D372-R375 WeakPolarHBondContact O-CG 3.37Å; D372-R375 PolarHBondContact O-NE 2.92Å
376	P	97.9	Very high	97.4	Very high	18 Å²	18	59 Å²	59	12%	0.117	31%	0.309	C	S	.	.			trans	-62.3	151	-173.3	27.6	-35.3	0	0	0	111.8	F371 V374 N378 Y381 I382 D386	F371-P376 HydrophobicContact CD1-CG 3.68Å; F371-P376 HydrophobicContact CE1-CG 3.79Å; V374-P376 HydrophobicContact CG1-CB 4.41Å; P376-N378 WeakPolarHBondContact CB-O 3.38Å; P376-N378 WeakPolarHBondContact CG-O 3.01Å; P376-N378 PolarHBondContact O-N 3.11Å; P376-Y381 WeakPolarHBondContact CB-O 3.49Å; P376-I382 HydrophobicContact CB-CG1 4.09Å; P376-I382 HydrophobicContact CG-CG1 4.04Å; P376-D386 WeakPolarHBondContact CA-OD1 3.24Å; P376-D386 HydrophobicContact CB-CB 4.17Å
377	A	97.8	Very high	97.5	Very high	97 Å²	97	58.8 Å²	58.8	80%	0.802	31%	0.308	S	S	*	.	S	Bend	trans	-59.5	-30.3	176.1	0	0	0	0	0	112.5	D386	A377-D386 PolarHBondContact N-OD1 2.78Å
378	N	97.5	Very high	97.5	Very high	47 Å²	47	59.9 Å²	59.9	25%	0.251	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-108.5	126.5	171.6	-168.5	-56.7	0	0	0	110.7	P376 H380 Y381	P376-N378 WeakPolarHBondContact CB-O 3.38Å; P376-N378 WeakPolarHBondContact CG-O 3.01Å; P376-N378 PolarHBondContact O-N 3.11Å; N378-H380 PolarHBondContact O-N 3.36Å; N378-H380 WeakPolarHBondContact OD1-CB 3.08Å; N378-H380 PolarHBondContact OD1-N 3.19Å; N378-Y381 HydrophobicContact CB-CD1 4.27Å; N378-Y381 HydrophobicContact CB-CD2 4.29Å; N378-Y381 HydrophobicContact CB-CE1 3.84Å; N378-Y381 HydrophobicContact CB-CE2 3.85Å; N378-Y381 HydrophobicContact CB-CG 4.48Å; N378-Y381 WeakPolarHBondContact ND2-CE1 3.46Å; N378-Y381 PolarHBondContact ND2-OH 3.04Å; N378-Y381 PolarHBondContact O-N 3.14Å
379	P	96	Very high	97.5	Very high	100 Å²	100	61.7 Å²	61.7	65%	0.649	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-9.3	-179.5	-23.5	33.8	0	0	0	116.2	F371	F371-P379 VanDerWaalsContact CE1-O 3.24Å; F371-P379 WeakPolarHBondContact CE1-O 3.44Å
380	H	96	Very high	97.6	Very high	144 Å²	144	61.5 Å²	61.5	67%	0.667	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	-14.8	-174.2	-61.7	-55.2	0	0	0	114.6	N378	N378-H380 PolarHBondContact O-N 3.36Å; N378-H380 WeakPolarHBondContact OD1-CB 3.08Å; N378-H380 PolarHBondContact OD1-N 3.19Å
381	Y	97.8	Very high	97.5	Very high	56 Å²	56	64.5 Å²	64.5	22%	0.22	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	155.1	-178.4	58.8	-100.5	0	0	0	112.2	K336 L337 P376 N378 T383	K336-Y381 HydrophobicContact CB-CD2 4.11Å; K336-Y381 HydrophobicContact CB-CG 4.16Å; K336-Y381 HydrophobicContact CD-CD1 3.96Å; K336-Y381 HydrophobicContact CD-CD2 3.77Å; K336-Y381 HydrophobicContact CD-CE1 4Å; K336-Y381 HydrophobicContact CD-CE2 3.84Å; K336-Y381 HydrophobicContact CD-CG 3.84Å; K336-Y381 HydrophobicContact CG-CD2 3.65Å; K336-Y381 HydrophobicContact CG-CE2 3.96Å; K336-Y381 HydrophobicContact CG-CG 4.03Å; L337-Y381 VanDerWaalsContact O-CA 3.31Å; L337-Y381 WeakPolarHBondContact O-CA 3.41Å; P376-Y381 WeakPolarHBondContact CB-O 3.49Å; N378-Y381 HydrophobicContact CB-CD1 4.27Å; N378-Y381 HydrophobicContact CB-CD2 4.29Å; N378-Y381 HydrophobicContact CB-CE1 3.84Å; N378-Y381 HydrophobicContact CB-CE2 3.85Å; N378-Y381 HydrophobicContact CB-CG 4.48Å; N378-Y381 WeakPolarHBondContact ND2-CE1 3.46Å; N378-Y381 PolarHBondContact ND2-OH 3.04Å; N378-Y381 PolarHBondContact O-N 3.14Å; Y381-T383 HydrophobicContact CD2-CG2 3.94Å; Y381-T383 HydrophobicContact CE2-CG2 3.74Å
382	I	98.5	Very high	97.4	Very high	1 Å²	1	67.6 Å²	67.6	1%	0.005	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.9	176	-65.6	163	0	0	0	108.9	L337 L342 I370 F371 V374 P376 D386 L387	L337-I382 HydrophobicContact CB-CB 4.28Å; L337-I382 PolarHBondContact N-O 3.08Å; L337-I382 PolarHBondContact O-N 3.28Å; L342-I382 HydrophobicContact CD1-CD1 4.41Å; I370-I382 HydrophobicContact CG2-CD1 3.67Å; F371-I382 HydrophobicContact CD2-CD1 4.4Å; F371-I382 HydrophobicContact CE1-CG1 4.47Å; F371-I382 HydrophobicContact CE2-CD1 4.2Å; F371-I382 HydrophobicContact CZ-CD1 4.41Å; F371-I382 HydrophobicContact CZ-CG1 4.34Å; V374-I382 HydrophobicContact CB-CD1 4.15Å; V374-I382 HydrophobicContact CB-CG1 4.37Å; V374-I382 HydrophobicContact CG1-CB 4.49Å; V374-I382 HydrophobicContact CG1-CD1 4.21Å; V374-I382 HydrophobicContact CG1-CG1 3.96Å; V374-I382 HydrophobicContact CG1-CG2 3.83Å; V374-I382 HydrophobicContact CG2-CD1 4.05Å; P376-I382 HydrophobicContact CB-CG1 4.09Å; P376-I382 HydrophobicContact CG-CG1 4.04Å; I382-D386 HydrophobicContact CG2-CB 4.14Å; I382-L387 HydrophobicContact CG2-CB 4.22Å
383	T	98.5	Very high	97.5	Very high	35 Å²	35	62.1 Å²	62.1	22%	0.215	34%	0.341	C	S	.	.			trans	-94.6	169.3	171.1	65.8	0	0	0	0	111.4	F326 Y381 D385 D386 L387	F326-T383 VanDerWaalsContact CE2-C 3.46Å; Y381-T383 HydrophobicContact CD2-CG2 3.94Å; Y381-T383 HydrophobicContact CE2-CG2 3.74Å; T383-D385 VanDerWaalsContact C-N 3.27Å; T383-D385 PolarHBondContact O-N 3.45Å; T383-D386 WeakPolarHBondContact CB-OD2 3.35Å; T383-D386 PolarHBondContact N-OD2 3.05Å; T383-D386 PolarHBondContact O-N 2.99Å; T383-D386 PolarHBondContact OG1-N 3.35Å; T383-D386 PolarHBondContact OG1-OD2 3.17Å; T383-L387 PolarHBondContact O-N 3.12Å
384	L	97.8	Very high	97.5	Very high	51 Å²	51	63.3 Å²	63.3	27%	0.267	35%	0.348	S	S	.	.	H	α-helix	trans	-57.7	-42.9	172.9	175.1	58.5	0	0	0	111.5	I322 A323 F326 D386 L387 I388	I322-L384 HydrophobicContact CG2-CD1 3.88Å; A323-L384 HydrophobicContact CB-CD1 4.09Å; A323-L384 HydrophobicContact CB-CD2 3.81Å; F326-L384 HydrophobicContact CB-CD1 3.83Å; F326-L384 HydrophobicContact CD1-CB 4.09Å; F326-L384 HydrophobicContact CD2-CB 4.17Å; F326-L384 HydrophobicContact CD2-CD1 4.28Å; F326-L384 HydrophobicContact CE1-CB 4.2Å; F326-L384 HydrophobicContact CE2-CB 4.26Å; F326-L384 VanDerWaalsContact CE2-N 3.31Å; F326-L384 HydrophobicContact CG-CB 4.08Å; F326-L384 HydrophobicContact CG-CD1 4Å; F326-L384 HydrophobicContact CZ-CB 4.29Å; L384-D386 VanDerWaalsContact C-N 3.33Å; L384-D386 PolarHBondContact O-N 2.78Å; L384-L387 PolarHBondContact O-N 3.01Å; L384-I388 HydrophobicContact CD1-CD1 3.7Å; L384-I388 HydrophobicContact CD1-CG1 4.01Å; L384-I388 HydrophobicContact CD2-CD1 4.46Å; L384-I388 HydrophobicContact CG-CD1 3.8Å; L384-I388 HydrophobicContact CG-CG1 4.47Å; L384-I388 WeakPolarHBondContact O-CG1 3.49Å; L384-I388 PolarHBondContact O-N 3.03Å
385	D	98.1	Very high	97.4	Very high	108 Å²	108	64.9 Å²	64.9	58%	0.578	36%	0.358	S	S	*	.	H	α-helix	trans	-63.4	-40.3	178.6	-69.3	-32.5	0	0	0	111.4	T383 L387 I388 N389	T383-D385 VanDerWaalsContact C-N 3.27Å; T383-D385 PolarHBondContact O-N 3.45Å; D385-L387 VanDerWaalsContact C-N 3.32Å; D385-L387 PolarHBondContact O-N 3.26Å; D385-I388 PolarHBondContact O-N 3.37Å; D385-N389 WeakPolarHBondContact O-CB 3.45Å; D385-N389 PolarHBondContact O-N 3.46Å; D385-N389 PolarHBondContact O-ND2 2.83Å
386	D	98.5	Very high	97.4	Very high	22 Å²	22	55.1 Å²	55.1	12%	0.118	32%	0.321	C	S	.	.	H	α-helix	trans	-60.7	-44.1	175.1	-61.6	-55.8	0	0	0	110.7	V374 P376 A377 I382 T383 L384 N389 C390	V374-D386 HydrophobicContact CG1-CB 3.8Å; P376-D386 WeakPolarHBondContact CA-OD1 3.24Å; P376-D386 HydrophobicContact CB-CB 4.17Å; A377-D386 PolarHBondContact N-OD1 2.78Å; I382-D386 HydrophobicContact CG2-CB 4.14Å; T383-D386 WeakPolarHBondContact CB-OD2 3.35Å; T383-D386 PolarHBondContact N-OD2 3.05Å; T383-D386 PolarHBondContact O-N 2.99Å; T383-D386 PolarHBondContact OG1-N 3.35Å; T383-D386 PolarHBondContact OG1-OD2 3.17Å; L384-D386 VanDerWaalsContact C-N 3.33Å; L384-D386 PolarHBondContact O-N 2.78Å; D386-N389 PolarHBondContact O-N 2.89Å; D386-C390 WeakPolarHBondContact O-CB 3.41Å; D386-C390 PolarHBondContact O-N 3Å; D386-C390 VanDerWaalsContact O-N 3.08Å
387	L	97.9	Very high	97.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-68.9	-34.3	-177.5	-166.4	64.4	0	0	0	113.1	I322 F326 V374 I382 T383 L384 D385 C390 G393 V396 I397	I322-L387 HydrophobicContact CG2-CB 4.35Å; I322-L387 HydrophobicContact CG2-CD2 3.72Å; I322-L387 HydrophobicContact CG2-CG 3.93Å; F326-L387 HydrophobicContact CD2-CD2 3.97Å; V374-L387 HydrophobicContact CG2-CD1 4.16Å; I382-L387 HydrophobicContact CG2-CB 4.22Å; T383-L387 PolarHBondContact O-N 3.12Å; L384-L387 PolarHBondContact O-N 3.01Å; D385-L387 VanDerWaalsContact C-N 3.32Å; D385-L387 PolarHBondContact O-N 3.26Å; L387-C390 PolarHBondContact O-SG 3.29Å; L387-G393 WeakPolarHBondContact O-CA 3.5Å; L387-V396 HydrophobicContact CD1-CB 3.85Å; L387-V396 HydrophobicContact CD1-CG1 3.8Å; L387-V396 HydrophobicContact CD1-CG2 4.24Å; L387-I397 HydrophobicContact CD2-CD1 4.22Å; L387-I397 HydrophobicContact CD2-CG1 4.22Å
388	I	97.4	Very high	97.3	Very high	51 Å²	51	51.2 Å²	51.2	26%	0.262	29%	0.286	S	S	.	.	H	α-helix	trans	-73.3	-48.5	173.9	-68.3	169.5	0	0	0	110.2	P319 I322 L384 D385 C390 G391	P319-I388 HydrophobicContact CB-CD1 4.14Å; P319-I388 HydrophobicContact CB-CG1 4.47Å; P319-I388 HydrophobicContact CB-CG2 4.34Å; P319-I388 HydrophobicContact CG-CG2 4.41Å; I322-I388 HydrophobicContact CB-CG1 4.3Å; I322-I388 HydrophobicContact CD1-CG1 4.43Å; I322-I388 HydrophobicContact CG2-CG1 3.9Å; L384-I388 HydrophobicContact CD1-CD1 3.7Å; L384-I388 HydrophobicContact CD1-CG1 4.01Å; L384-I388 HydrophobicContact CD2-CD1 4.46Å; L384-I388 HydrophobicContact CG-CD1 3.8Å; L384-I388 HydrophobicContact CG-CG1 4.47Å; L384-I388 WeakPolarHBondContact O-CG1 3.49Å; L384-I388 PolarHBondContact O-N 3.03Å; D385-I388 PolarHBondContact O-N 3.37Å; I388-C390 VanDerWaalsContact C-N 3.3Å; I388-C390 PolarHBondContact O-N 2.89Å; I388-G391 PolarHBondContact O-N 3.19Å
389	N	97.7	Very high	97.3	Very high	133 Å²	133	49.1 Å²	49.1	71%	0.711	27%	0.274	S	S	*	.	H	α-helix	trans	-72.4	-20.9	-171.4	-69.6	-39.3	0	0	0	113.7	D385 D386 G391	D385-N389 WeakPolarHBondContact O-CB 3.45Å; D385-N389 PolarHBondContact O-N 3.46Å; D385-N389 PolarHBondContact O-ND2 2.83Å; D386-N389 PolarHBondContact O-N 2.89Å; N389-G391 PolarHBondContact O-N 3.35Å
390	C	96.9	Very high	97.3	Very high	34 Å²	34	44.4 Å²	44.4	23%	0.23	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-17	178	75.9	0	0	0	0	113.6	V374 D386 L387 I388 K392	V374-C390 HydrophobicContact CB-CB 4.49Å; V374-C390 HydrophobicContact CG1-CB 4.42Å; V374-C390 WeakPolarHBondContact O-CB 3.38Å; D386-C390 WeakPolarHBondContact O-CB 3.41Å; D386-C390 PolarHBondContact O-N 3Å; D386-C390 VanDerWaalsContact O-N 3.08Å; L387-C390 PolarHBondContact O-SG 3.29Å; I388-C390 VanDerWaalsContact C-N 3.3Å; I388-C390 PolarHBondContact O-N 2.89Å; C390-K392 PolarHBondContact O-N 3.31Å; C390-K392 PolarHBondContact SG-N 3.03Å; C390-K392 VanDerWaalsContact SG-N 3.36Å
391	G	96.4	Very high	97.4	Very high	64 Å²	64	37.6 Å²	37.6	66%	0.66	21%	0.212	S	C	*	.	S	Bend	trans	69.3	10	-178.1	0	0	0	0	0	114.9	I388 N389	I388-G391 PolarHBondContact O-N 3.19Å; N389-G391 PolarHBondContact O-N 3.35Å
392	K	96.5	Very high	97.2	Very high	101 Å²	101	35.8 Å²	35.8	44%	0.439	21%	0.207	S	C	.	.			trans	-127.5	20.7	177.9	-61.2	-165.9	176.8	-169	0	113.2	M373 C390 D394 T395 V396	M373-K392 HydrophobicContact CB-CD 4.24Å; M373-K392 HydrophobicContact CG-CD 4.1Å; M373-K392 HydrophobicContact SD-CD 4.04Å; C390-K392 PolarHBondContact O-N 3.31Å; C390-K392 PolarHBondContact SG-N 3.03Å; C390-K392 VanDerWaalsContact SG-N 3.36Å; K392-D394 VanDerWaalsContact C-N 3.27Å; K392-D394 PolarHBondContact O-N 3.45Å; K392-T395 PolarHBondContact O-N 3.46Å; K392-V396 WeakPolarHBondContact O-CG2 3.19Å; K392-V396 PolarHBondContact O-N 3.33Å; K392-V396 VanDerWaalsContact O-N 3.11Å
393	G	97.3	Very high	97	Very high	2 Å²	2	37 Å²	37	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-60.5	-36.2	-176.1	0	0	0	0	0	113.4	L387 T395 V396 I397	L387-G393 WeakPolarHBondContact O-CA 3.5Å; G393-T395 PolarHBondContact O-N 2.85Å; G393-V396 PolarHBondContact O-N 3.34Å; G393-I397 WeakPolarHBondContact O-CB 3.34Å; G393-I397 WeakPolarHBondContact O-CD1 3.34Å; G393-I397 WeakPolarHBondContact O-CG1 3.47Å; G393-I397 PolarHBondContact O-N 3.1Å
394	D	97	Very high	96.7	Very high	52 Å²	52	41.2 Å²	41.2	28%	0.278	23%	0.23	S	C	.	.	H	α-helix	trans	-59.8	-43.9	174.6	66.1	-34.5	0	0	0	112.8	K316 K392 I397 N398	K316-D394 HydrophobicContact CB-CB 3.84Å; K316-D394 WeakPolarHBondContact O-CB 3.34Å; K392-D394 VanDerWaalsContact C-N 3.27Å; K392-D394 PolarHBondContact O-N 3.45Å; D394-I397 PolarHBondContact O-N 3.35Å; D394-N398 WeakPolarHBondContact O-CB 3.31Å; D394-N398 PolarHBondContact O-N 3.08Å; D394-N398 PolarHBondContact O-ND2 3.4Å
395	T	96.5	Very high	96.4	Very high	40 Å²	40	39.2 Å²	39.2	25%	0.245	22%	0.222	C	C	.	.	H	α-helix	trans	-66	-48.1	179	-57	0	0	0	0	110.3	M373 K392 G393 I397 N398 I399 H409	M373-T395 HydrophobicContact SD-CG2 4.27Å; K392-T395 PolarHBondContact O-N 3.46Å; G393-T395 PolarHBondContact O-N 2.85Å; T395-I397 VanDerWaalsContact C-N 3.33Å; T395-I397 PolarHBondContact O-N 2.6Å; T395-N398 PolarHBondContact O-N 3.49Å; T395-I399 HydrophobicContact CG2-CD1 4.13Å; T395-I399 VanDerWaalsContact O-CG1 3.3Å; T395-I399 WeakPolarHBondContact O-CG1 3.41Å; T395-I399 PolarHBondContact O-N 3.38Å; T395-H409 VanDerWaalsContact CG2-ND1 3.32Å; T395-H409 WeakPolarHBondContact CG2-ND1 3.13Å
396	V	97.5	Very high	96.2	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-59.8	-44.1	177.3	173.1	0	0	0	0	111.3	I370 M373 V374 L387 K392 G393 I399 L400	I370-V396 HydrophobicContact CG2-CG1 3.91Å; I370-V396 HydrophobicContact CG2-CG2 4.43Å; M373-V396 HydrophobicContact CE-CG2 3.97Å; V374-V396 HydrophobicContact CG2-CG2 3.72Å; L387-V396 HydrophobicContact CD1-CB 3.85Å; L387-V396 HydrophobicContact CD1-CG1 3.8Å; L387-V396 HydrophobicContact CD1-CG2 4.24Å; K392-V396 WeakPolarHBondContact O-CG2 3.19Å; K392-V396 PolarHBondContact O-N 3.33Å; K392-V396 VanDerWaalsContact O-N 3.11Å; G393-V396 PolarHBondContact O-N 3.34Å; V396-I399 PolarHBondContact O-N 3.17Å; V396-L400 HydrophobicContact CG1-CD1 4.11Å; V396-L400 WeakPolarHBondContact O-CG 3.17Å; V396-L400 PolarHBondContact O-N 3.21Å
397	I	98	Very high	95.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.4	-46.6	177.8	-70.5	163.6	0	0	0	110.5	K316 I322 L325 L329 L387 G393 D394 T395 I399 L400 I401	K316-I397 HydrophobicContact CD-CG2 4.34Å; I322-I397 HydrophobicContact CB-CD1 4.39Å; I322-I397 HydrophobicContact CG1-CD1 4.21Å; I322-I397 HydrophobicContact CG2-CD1 4.22Å; L325-I397 HydrophobicContact CB-CD1 3.95Å; L325-I397 HydrophobicContact CB-CG2 4.28Å; L325-I397 HydrophobicContact CD1-CD1 4.15Å; L325-I397 HydrophobicContact CD1-CG2 3.93Å; L329-I397 HydrophobicContact CD1-CG1 4.07Å; L387-I397 HydrophobicContact CD2-CD1 4.22Å; L387-I397 HydrophobicContact CD2-CG1 4.22Å; G393-I397 WeakPolarHBondContact O-CB 3.34Å; G393-I397 WeakPolarHBondContact O-CD1 3.34Å; G393-I397 WeakPolarHBondContact O-CG1 3.47Å; G393-I397 PolarHBondContact O-N 3.1Å; D394-I397 PolarHBondContact O-N 3.35Å; T395-I397 VanDerWaalsContact C-N 3.33Å; T395-I397 PolarHBondContact O-N 2.6Å; I397-I399 VanDerWaalsContact C-N 3.34Å; I397-I399 PolarHBondContact O-N 3.23Å; I397-L400 PolarHBondContact O-N 3.29Å; I397-I401 HydrophobicContact CG2-CG1 4.15Å; I397-I401 HydrophobicContact CG2-CD1 3.57Å; I397-I401 VanDerWaalsContact O-N 3.09Å; I397-I401 PolarHBondContact O-N 3.46Å; I397-I401 HydrophobicContact CG2-CG2 4.42Å; I397-I401 WeakPolarHBondContact O-CG1 3.5Å
398	N	96.3	Very high	95.4	Very high	34 Å²	34	40.4 Å²	40.4	18%	0.182	23%	0.229	C	C	.	.	H	α-helix	trans	-57.2	-44.9	178.6	-84	-20.5	0	0	0	112.7	K316 D394 T395 L400 I401 D402	K316-N398 WeakPolarHBondContact CE-OD1 3.34Å; K316-N398 PolarHBondContact NZ-OD1 3.13Å; D394-N398 WeakPolarHBondContact O-CB 3.31Å; D394-N398 PolarHBondContact O-N 3.08Å; D394-N398 PolarHBondContact O-ND2 3.4Å; T395-N398 PolarHBondContact O-N 3.49Å; N398-L400 PolarHBondContact O-N 3.42Å; N398-I401 PolarHBondContact O-N 2.99Å; N398-D402 PolarHBondContact O-N 3.37Å; N398-D402 VanDerWaalsContact O-N 3.08Å
399	I	96.3	Very high	95.1	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-55.5	-35.1	176.2	-69.7	164.9	0	0	0	111.4	I349 V366 I370 M373 T395 V396 I397 F406 H409	I349-I399 WeakPolarHBondContact CG1-O 3.37Å; V366-I399 HydrophobicContact CG1-CG2 3.87Å; I370-I399 HydrophobicContact CD1-CG2 4.11Å; M373-I399 HydrophobicContact CE-CD1 3.68Å; T395-I399 HydrophobicContact CG2-CD1 4.13Å; T395-I399 VanDerWaalsContact O-CG1 3.3Å; T395-I399 WeakPolarHBondContact O-CG1 3.41Å; T395-I399 PolarHBondContact O-N 3.38Å; V396-I399 PolarHBondContact O-N 3.17Å; I397-I399 VanDerWaalsContact C-N 3.34Å; I397-I399 PolarHBondContact O-N 3.23Å; I399-F406 HydrophobicContact CB-CD2 4.39Å; I399-F406 HydrophobicContact CG2-CD2 3.84Å; I399-F406 HydrophobicContact CG2-CE2 4.04Å; I399-H409 WeakPolarHBondContact CD1-CD2 3.39Å; I399-H409 HydrophobicContact CG1-CB 4.03Å; I399-H409 WeakPolarHBondContact CD1-NE2 3.07Å; I399-H409 HydrophobicContact CD1-CB 4.4Å
400	L	97	Very high	94.6	Very high	2 Å²	2	36 Å²	36	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-87.4	-27.3	-174	-65.3	170.3	0	0	0	113.8	L329 L342 F345 I370 V396 I397 N398	L329-L400 HydrophobicContact CD1-CD1 4.16Å; L329-L400 HydrophobicContact CD2-CB 4.48Å; L342-L400 HydrophobicContact CB-CD2 4.48Å; L342-L400 HydrophobicContact CD2-CD1 3.6Å; L342-L400 HydrophobicContact CD2-CD2 3.88Å; L342-L400 HydrophobicContact CD2-CG 4.4Å; F345-L400 HydrophobicContact CB-CB 4.12Å; F345-L400 HydrophobicContact CB-CD2 4.17Å; I370-L400 HydrophobicContact CD1-CD2 4Å; I370-L400 HydrophobicContact CD1-CG 4.44Å; V396-L400 HydrophobicContact CG1-CD1 4.11Å; V396-L400 WeakPolarHBondContact O-CG 3.17Å; V396-L400 PolarHBondContact O-N 3.21Å; I397-L400 PolarHBondContact O-N 3.29Å; N398-L400 PolarHBondContact O-N 3.42Å
401	I	96.8	Very high	94	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-117.9	-22.5	-166.8	75.9	176	0	0	0	114.8	L282 T283 F286 M313 L329 I397 N398	L282-I401 WeakPolarHBondContact CA-O 3.42Å; L282-I401 HydrophobicContact CD2-CG1 4.46Å; T283-I401 PolarHBondContact N-O 2.78Å; F286-I401 HydrophobicContact CB-CB 3.99Å; F286-I401 HydrophobicContact CB-CG2 4.19Å; F286-I401 HydrophobicContact CD1-CB 4.17Å; F286-I401 HydrophobicContact CD2-CB 3.73Å; F286-I401 HydrophobicContact CD2-CD1 4.33Å; F286-I401 HydrophobicContact CD2-CG2 3.37Å; F286-I401 HydrophobicContact CE1-CD1 4.16Å; F286-I401 HydrophobicContact CE2-CB 4.22Å; F286-I401 HydrophobicContact CE2-CD1 3.94Å; F286-I401 HydrophobicContact CE2-CG2 3.86Å; F286-I401 HydrophobicContact CG-CB 3.69Å; F286-I401 HydrophobicContact CG-CG2 3.85Å; F286-I401 HydrophobicContact CZ-CD1 3.85Å; M313-I401 HydrophobicContact CE-CD1 3.8Å; M313-I401 HydrophobicContact SD-CD1 3.77Å; L329-I401 HydrophobicContact CD2-CG2 3.75Å; I397-I401 HydrophobicContact CG2-CG1 4.15Å; I397-I401 HydrophobicContact CG2-CD1 3.57Å; I397-I401 VanDerWaalsContact O-N 3.09Å; I397-I401 PolarHBondContact O-N 3.46Å; I397-I401 HydrophobicContact CG2-CG2 4.42Å; I397-I401 WeakPolarHBondContact O-CG1 3.5Å; N398-I401 PolarHBondContact O-N 2.99Å
402	D	94.9	Very high	93.4	Very high	19 Å²	19	39.3 Å²	39.3	10%	0.102	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-130.8	122.9	-167.7	178	24	0	0	0	111.2	T281 L282 N398 Q404 G405 F406	T281-D402 WeakPolarHBondContact CB-OD1 3.48Å; T281-D402 PolarHBondContact OG1-OD1 3Å; L282-D402 HydrophobicContact CD2-CB 3.89Å; N398-D402 PolarHBondContact O-N 3.37Å; N398-D402 VanDerWaalsContact O-N 3.08Å; D402-Q404 VanDerWaalsContact C-N 3.32Å; D402-Q404 PolarHBondContact O-N 2.78Å; D402-Q404 PolarHBondContact OD1-N 3.25Å; D402-Q404 VanDerWaalsContact OD1-N 3.1Å; D402-G405 PolarHBondContact O-N 2.8Å; D402-G405 PolarHBondContact OD2-N 2.84Å; D402-F406 WeakPolarHBondContact O-CB 3.46Å; D402-F406 PolarHBondContact O-N 3.39Å
403	L	94.2	Very high	92.4	Very high	27 Å²	27	41.5 Å²	41.5	14%	0.141	21%	0.207	C	C	.	.	H	α-helix	trans	-57.6	-46.5	175.6	-176.2	66.5	0	0	0	110.7	T281 K352 L353 G405 F406 W407	T281-L403 WeakPolarHBondContact O-CB 3.42Å; T281-L403 PolarHBondContact O-N 2.98Å; K352-L403 HydrophobicContact CB-CD1 4.12Å; K352-L403 HydrophobicContact CB-CD2 4.16Å; K352-L403 HydrophobicContact CD-CB 4.13Å; K352-L403 HydrophobicContact CD-CD2 4.36Å; L353-L403 HydrophobicContact CD2-CD1 3.72Å; L353-L403 HydrophobicContact CG-CD1 3.81Å; L403-G405 PolarHBondContact O-N 3.31Å; L403-F406 WeakPolarHBondContact O-CB 3.49Å; L403-F406 PolarHBondContact O-N 2.94Å; L403-W407 PolarHBondContact O-N 2.94Å
404	Q	91.9	Very high	91.1	Very high	122 Å²	122	43.9 Å²	43.9	57%	0.57	23%	0.227	S	C	*	.	H	α-helix	trans	-65.9	-41.4	-178	-175.7	176.2	-4.4	0	0	111.5	T281 D402 F406 W407 A408	T281-Q404 HydrophobicContact CG2-CB 4.12Å; D402-Q404 VanDerWaalsContact C-N 3.32Å; D402-Q404 PolarHBondContact O-N 2.78Å; D402-Q404 PolarHBondContact OD1-N 3.25Å; D402-Q404 VanDerWaalsContact OD1-N 3.1Å; Q404-F406 VanDerWaalsContact C-N 3.34Å; Q404-F406 PolarHBondContact O-N 3.29Å; Q404-W407 PolarHBondContact O-N 2.94Å; Q404-A408 WeakPolarHBondContact O-CB 3.41Å; Q404-A408 PolarHBondContact O-N 3.4Å
405	G	91.4	Very high	89.1	Confident	9 Å²	9	48 Å²	48	9%	0.093	24%	0.243	C	C	.	.	H	α-helix	trans	-57.5	-42.6	171.8	0	0	0	0	0	113.3	D402 L403 H409	D402-G405 PolarHBondContact O-N 2.8Å; D402-G405 PolarHBondContact OD2-N 2.84Å; L403-G405 PolarHBondContact O-N 3.31Å; G405-H409 PolarHBondContact O-N 2.92Å
406	F	93.4	Very high	87.1	Confident	4 Å²	4	50.9 Å²	50.9	2%	0.018	26%	0.26	C	S	.	.	H	α-helix	trans	-61.3	-49	173.6	-173.8	-90.3	0	0	0	111.8	Y346 I349 L353 P361 V366 I399 D402 L403 Q404 A408 H409 E410	Y346-F406 AromaticContact CE2-CE2 3.93Å; Y346-F406 HydrophobicContact CE2-CE2 3.93Å; Y346-F406 HydrophobicContact CE2-CZ 4.16Å; I349-F406 HydrophobicContact CD1-CB 4.43Å; I349-F406 HydrophobicContact CG2-CB 4.26Å; I349-F406 HydrophobicContact CG2-CD1 4.11Å; I349-F406 HydrophobicContact CG2-CD2 3.88Å; I349-F406 HydrophobicContact CG2-CE1 4.48Å; I349-F406 HydrophobicContact CG2-CE2 4.3Å; I349-F406 HydrophobicContact CG2-CG 3.8Å; L353-F406 HydrophobicContact CD1-CD1 4.21Å; L353-F406 HydrophobicContact CD1-CE1 3.89Å; P361-F406 HydrophobicContact CG-CE1 4.08Å; P361-F406 HydrophobicContact CG-CZ 3.57Å; V366-F406 HydrophobicContact CG1-CE2 4.44Å; V366-F406 HydrophobicContact CG2-CE2 4.32Å; V366-F406 HydrophobicContact CG2-CZ 4.39Å; I399-F406 HydrophobicContact CB-CD2 4.39Å; I399-F406 HydrophobicContact CG2-CD2 3.84Å; I399-F406 HydrophobicContact CG2-CE2 4.04Å; D402-F406 WeakPolarHBondContact O-CB 3.46Å; D402-F406 PolarHBondContact O-N 3.39Å; L403-F406 WeakPolarHBondContact O-CB 3.49Å; L403-F406 PolarHBondContact O-N 2.94Å; Q404-F406 VanDerWaalsContact C-N 3.34Å; Q404-F406 PolarHBondContact O-N 3.29Å; F406-A408 VanDerWaalsContact C-N 3.35Å; F406-A408 PolarHBondContact O-N 3.47Å; F406-H409 WeakPolarHBondContact O-CB 3.35Å; F406-H409 PolarHBondContact O-N 3.19Å; F406-H409 VanDerWaalsContact O-N 3.13Å; F406-E410 HydrophobicContact CD1-CG 3.9Å; F406-E410 HydrophobicContact CE1-CG 3.39Å; F406-E410 HydrophobicContact CZ-CG 3.75Å; F406-E410 PolarHBondContact O-N 2.75Å
407	W	90.1	Very high	84.6	Confident	95 Å²	95	55.3 Å²	55.3	36%	0.36	29%	0.291	S	S	.	.	H	α-helix	trans	-59.8	-42	178.4	-87.5	86.3	0	0	0	113.2	L353 N358 L403 Q404 H409 E410 N411	L353-W407 HydrophobicContact CD2-CZ2 3.84Å; L353-W407 VanDerWaalsContact CD2-NE1 3.29Å; N358-W407 HydrophobicContact CB-CH2 4.17Å; N358-W407 HydrophobicContact CB-CZ2 3.67Å; N358-W407 WeakPolarHBondContact ND2-CZ2 2.89Å; N358-W407 WeakPolarHBondContact OD1-CH2 3.41Å; L403-W407 PolarHBondContact O-N 2.94Å; Q404-W407 PolarHBondContact O-N 2.94Å; W407-H409 PolarHBondContact O-N 3.01Å; W407-E410 PolarHBondContact O-N 3.49Å; W407-N411 WeakPolarHBondContact O-CB 3.44Å; W407-N411 PolarHBondContact O-N 3.47Å; W407-N411 VanDerWaalsContact O-N 3.08Å; W407-N411 PolarHBondContact O-ND2 3.46Å; W407-N411 VanDerWaalsContact CE3-ND2 3.29Å
408	A	90.4	Very high	82	Confident	56 Å²	56	63 Å²	63	46%	0.463	33%	0.327	S	S	.	.	H	α-helix	trans	-62.1	-35.9	177.7	0	0	0	0	0	111.6	Q404 F406 R412	Q404-A408 WeakPolarHBondContact O-CB 3.41Å; Q404-A408 PolarHBondContact O-N 3.4Å; F406-A408 VanDerWaalsContact C-N 3.35Å; F406-A408 PolarHBondContact O-N 3.47Å; A408-R412 PolarHBondContact O-N 3.31Å
409	H	90.5	Very high	79.1	Confident	17 Å²	17	67.5 Å²	67.5	8%	0.079	35%	0.35	C	S	.	.	H	α-helix	trans	-73.9	-43.4	178.8	-178.9	74.4	0	0	0	113.1	E369 T395 I399 G405 F406 W407 N411 R412	E369-H409 IonicContact OE1-CD2 2.63Å; E369-H409 IonicContact OE1-CE1 3.92Å; E369-H409 PolarHBondContact OE1-CE1 3.33Å; E369-H409 VanDerWaalsContact OE1-CE1 3.3Å; E369-H409 IonicContact OE1-NE2 3.44Å; E369-H409 PolarHBondContact OE1-NE2 2.94Å; E369-H409 IonicContact OE2-NE2 3.07Å; E369-H409 PolarHBondContact OE2-NE2 3.1Å; T395-H409 VanDerWaalsContact CG2-ND1 3.32Å; T395-H409 WeakPolarHBondContact CG2-ND1 3.13Å; I399-H409 WeakPolarHBondContact CD1-CD2 3.39Å; I399-H409 HydrophobicContact CG1-CB 4.03Å; I399-H409 WeakPolarHBondContact CD1-NE2 3.07Å; I399-H409 HydrophobicContact CD1-CB 4.4Å; G405-H409 PolarHBondContact O-N 2.92Å; F406-H409 WeakPolarHBondContact O-CB 3.35Å; F406-H409 PolarHBondContact O-N 3.19Å; F406-H409 VanDerWaalsContact O-N 3.13Å; W407-H409 PolarHBondContact O-N 3.01Å; H409-N411 VanDerWaalsContact C-N 3.31Å; H409-N411 PolarHBondContact O-N 3.12Å; H409-R412 PolarHBondContact NE2-NH1 3.48Å; H409-R412 PolarHBondContact O-NH1 2.83Å; H409-R412 PolarHBondContact O-N 3.14Å; H409-R412 WeakPolarHBondContact O-CG 3.48Å; H409-R412 WeakPolarHBondContact O-CD 3.35Å; H409-R412 WeakPolarHBondContact O-CB 3.47Å; H409-R412 PolarHBondContact ND1-NH1 2.95Å; H409-R412 PolarHBondContact CE1-NH1 3.33Å; H409-R412 VanDerWaalsContact CD2-NH1 3.35Å; H409-R412 PolarHBondContact CD2-NH1 2.85Å
410	E	87	Confident	76.1	Confident	76 Å²	76	72.5 Å²	72.5	36%	0.355	38%	0.382	S	S	.	.	H	α-helix	trans	-63.9	-37.4	177	-72.1	-63.9	101.4	0	0	111.7	F406 W407 R412	F406-E410 HydrophobicContact CD1-CG 3.9Å; F406-E410 HydrophobicContact CE1-CG 3.39Å; F406-E410 HydrophobicContact CZ-CG 3.75Å; F406-E410 PolarHBondContact O-N 2.75Å; W407-E410 PolarHBondContact O-N 3.49Å; E410-R412 VanDerWaalsContact C-N 3.35Å
411	N	85.1	Confident	73.2	Confident	63 Å²	63	79.5 Å²	79.5	34%	0.337	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	10.4	-177.8	-65.3	-72.6	0	0	0	113.8	W407 H409 E413 A414 F415	W407-N411 WeakPolarHBondContact O-CB 3.44Å; W407-N411 PolarHBondContact O-N 3.47Å; W407-N411 VanDerWaalsContact O-N 3.08Å; W407-N411 PolarHBondContact O-ND2 3.46Å; W407-N411 VanDerWaalsContact CE3-ND2 3.29Å; H409-N411 VanDerWaalsContact C-N 3.31Å; H409-N411 PolarHBondContact O-N 3.12Å; N411-E413 PolarHBondContact O-N 3.38Å; N411-E413 VanDerWaalsContact O-N 3.1Å; N411-A414 WeakPolarHBondContact O-CB 3.34Å; N411-A414 PolarHBondContact O-N 3Å; N411-F415 HydrophobicContact CB-CD2 4.33Å; N411-F415 PolarHBondContact O-N 3.21Å; N411-F415 HydrophobicContact CB-CE2 3.87Å; N411-F415 WeakPolarHBondContact O-CD2 3.43Å
412	R	84	Confident	70.4	Confident	104 Å²	104	89 Å²	89	39%	0.392	46%	0.464	S	S	.	.	H	α-helix	trans	-55	-33.9	-175.8	68.9	-177.1	177.7	-107.9	9.4	113.6	E369 A408 H409 E410 F415 T416	E369-R412 IonicContact OE1-CZ 3.68Å; E369-R412 IonicContact OE1-NH1 3.9Å; E369-R412 PolarHBondContact OE1-NH1 2.96Å; E369-R412 IonicContact OE1-NH2 2.74Å; E369-R412 PolarHBondContact OE1-NH2 3.46Å; A408-R412 PolarHBondContact O-N 3.31Å; H409-R412 PolarHBondContact NE2-NH1 3.48Å; H409-R412 PolarHBondContact O-NH1 2.83Å; H409-R412 PolarHBondContact O-N 3.14Å; H409-R412 WeakPolarHBondContact O-CG 3.48Å; H409-R412 WeakPolarHBondContact O-CD 3.35Å; H409-R412 WeakPolarHBondContact O-CB 3.47Å; H409-R412 PolarHBondContact ND1-NH1 2.95Å; H409-R412 PolarHBondContact CE1-NH1 3.33Å; H409-R412 VanDerWaalsContact CD2-NH1 3.35Å; H409-R412 PolarHBondContact CD2-NH1 2.85Å; E410-R412 VanDerWaalsContact C-N 3.35Å; R412-F415 PolarHBondContact O-N 2.6Å; R412-T416 PolarHBondContact O-N 3.15Å; R412-T416 PolarHBondContact O-OG1 2.67Å
413	E	75.6	Confident	67.9	Low	146 Å²	146	92.2 Å²	92.2	68%	0.682	49%	0.493	S	S	*	.	H	α-helix	trans	-69.6	-34.9	-179.3	-65.1	-170.1	171.2	0	0	112.1	N411 F415 T416 S417	N411-E413 PolarHBondContact O-N 3.38Å; N411-E413 VanDerWaalsContact O-N 3.1Å; E413-F415 VanDerWaalsContact C-N 3.31Å; E413-F415 PolarHBondContact O-N 3.12Å; E413-T416 VanDerWaalsContact CA-OG1 3.31Å; E413-T416 WeakPolarHBondContact CA-OG1 3.5Å; E413-T416 PolarHBondContact O-N 3.47Å; E413-T416 PolarHBondContact O-OG1 3.28Å; E413-S417 PolarHBondContact O-N 3.34Å; E413-S417 PolarHBondContact O-OG 3.37Å
414	A	68.9	Low	65.1	Low	53 Å²	53	99.6 Å²	99.6	44%	0.438	53%	0.527	S	S	.	.	H	α-helix	trans	-66.8	-33.7	177	0	0	0	0	0	111.9	N411 S417	N411-A414 WeakPolarHBondContact O-CB 3.34Å; N411-A414 PolarHBondContact O-N 3Å; A414-S417 PolarHBondContact O-OG 3.22Å
415	F	56	Low	62.4	Low	139 Å²	139	105.4 Å²	105.4	61%	0.61	56%	0.561	S	S	*	*	H	α-helix	trans	-76.6	-29.8	176.7	-66.6	-69.5	0	0	0	113	N411 R412 E413 S417	N411-F415 HydrophobicContact CB-CD2 4.33Å; N411-F415 PolarHBondContact O-N 3.21Å; N411-F415 HydrophobicContact CB-CE2 3.87Å; N411-F415 WeakPolarHBondContact O-CD2 3.43Å; R412-F415 PolarHBondContact O-N 2.6Å; E413-F415 VanDerWaalsContact C-N 3.31Å; E413-F415 PolarHBondContact O-N 3.12Å; F415-S417 VanDerWaalsContact C-N 3.33Å
416	T	53.1	Low	61	Low	99 Å²	99	110.3 Å²	110.3	61%	0.607	58%	0.584	S	S	*	*	H	α-helix	trans	-71.7	-24.4	174.4	33.9	0	0	0	0	113.8	R412 E413 E418	R412-T416 PolarHBondContact O-N 3.15Å; R412-T416 PolarHBondContact O-OG1 2.67Å; E413-T416 VanDerWaalsContact CA-OG1 3.31Å; E413-T416 WeakPolarHBondContact CA-OG1 3.5Å; E413-T416 PolarHBondContact O-N 3.47Å; E413-T416 PolarHBondContact O-OG1 3.28Å; T416-E418 VanDerWaalsContact C-N 3.27Å; T416-E418 PolarHBondContact O-N 3.11Å
417	S	46.2	Very low	59.3	Low	95 Å²	95	115.8 Å²	115.8	66%	0.664	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-5.8	179.6	46.1	0	0	0	0	115.3	E413 A414 F415	E413-S417 PolarHBondContact O-N 3.34Å; E413-S417 PolarHBondContact O-OG 3.37Å; A414-S417 PolarHBondContact O-OG 3.22Å; F415-S417 VanDerWaalsContact C-N 3.33Å
418	E	43.1	Very low	57.6	Low	161 Å²	161	117 Å²	117	75%	0.752	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	-0.7	179.4	-68.6	-166.5	162.5	0	0	114.6	T416 P420	T416-E418 VanDerWaalsContact C-N 3.27Å; T416-E418 PolarHBondContact O-N 3.11Å; E418-P420 WeakPolarHBondContact O-CD 3.27Å
419	I	35.6	Very low	55.7	Low	129 Å²	129	120.6 Å²	120.6	66%	0.662	64%	0.638	S	S	*	*	S	Bend	trans	-92	108.2	171.7	-52.5	175.4	0	0	0	107	D421	I419-D421 PolarHBondContact O-N 3.26Å
420	P	32.1	Very low	53.5	Low	107 Å²	107	127.1 Å²	127.1	70%	0.695	67%	0.673	S	S	*	*			trans	-61.3	130.9	173.1	-11.4	26.3	0	0	0	107.8	E418 E422	E418-P420 WeakPolarHBondContact O-CD 3.27Å; P420-E422 PolarHBondContact O-N 3.13Å
421	D	37.6	Very low	51.2	Low	148 Å²	148	130.5 Å²	130.5	79%	0.791	69%	0.694	S	S	*	*			trans	-49.1	107.2	171	-92.8	-34.6	0	0	0	109.3	I419 A423	I419-D421 PolarHBondContact O-N 3.26Å; D421-A423 HydrophobicContact CB-CB 4.39Å; D421-A423 PolarHBondContact O-N 3.2Å
422	E	37.4	Very low	48.8	Very low	201 Å²	201	135.3 Å²	135.3	94%	0.939	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	34	166.2	-82.8	-169.3	157.4	0	0	111.4	P420	P420-E422 PolarHBondContact O-N 3.13Å
423	A	42.3	Very low	46.1	Very low	85 Å²	85	137.7 Å²	137.7	70%	0.702	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	0.6	173.3	0	0	0	0	0	113.1	D421	D421-A423 HydrophobicContact CB-CB 4.39Å; D421-A423 PolarHBondContact O-N 3.2Å
424	E	36.4	Very low	43.7	Very low	183 Å²	183	137 Å²	137	86%	0.855	75%	0.749	S	S	*	*			trans	-126.2	72	170.7	-69.9	-168.9	164.8	0	0	111.2
425	L	35.2	Very low	41.4	Very low	244 Å²	244	144.6 Å²	144.6	100%	1.277	78%	0.778	S	S	*	*			trans	-156.7	0	154.5	-102.2	167.8	0	0	0	112.4

Retrieved 425 of 425 residues in 145.9 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).